USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 553 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 17 ASN : amide:sc= -0.0553 K(o=-0.055,f=-0.67) USER MOD Set 1.2: A 20 LYS NZ :NH3+ 143:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0.0623 X(o=0.062,f=-0.0014) USER MOD Single : A 25 GLN : amide:sc= -0.258 K(o=-0.26,f=-1.5) USER MOD Single : A 30 THR OG1 : rot -106:sc= 0.298 USER MOD Single : A 31 GLN : amide:sc= -0.0921 X(o=-0.092,f=-0.59) USER MOD Single : A 36 GLN : amide:sc= -0.167 K(o=-0.17,f=-1.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= -0.0155 USER MOD Single : A 58 TYR OH : rot 54:sc= -0.85 USER MOD Single : A 60 GLN : amide:sc= -0.673 X(o=-0.67,f=-0.2) USER MOD Single : A 61 CYS SG : rot -122:sc= -0.987 USER MOD Single : A 65 LYS NZ :NH3+ -164:sc= 1.17 (180deg=1.04) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.237 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -96:sc= -0.349 USER MOD Single : A 77 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.922) USER MOD ----------------------------------------------------------------- ATOM 68 N PHE A 8 7.146 -3.310 1.081 1.00 0.00 N ATOM 69 CA PHE A 8 6.751 -2.258 2.009 1.00 0.00 C ATOM 70 C PHE A 8 5.981 -2.836 3.192 1.00 0.00 C ATOM 71 O PHE A 8 5.472 -3.954 3.128 1.00 0.00 O ATOM 72 CB PHE A 8 5.897 -1.211 1.292 1.00 0.00 C ATOM 73 CG PHE A 8 6.653 -0.422 0.261 1.00 0.00 C ATOM 74 CD1 PHE A 8 7.601 0.513 0.644 1.00 0.00 C ATOM 75 CD2 PHE A 8 6.416 -0.618 -1.090 1.00 0.00 C ATOM 76 CE1 PHE A 8 8.298 1.239 -0.303 1.00 0.00 C ATOM 77 CE2 PHE A 8 7.110 0.106 -2.041 1.00 0.00 C ATOM 78 CZ PHE A 8 8.052 1.036 -1.647 1.00 0.00 C ATOM 0 HA PHE A 8 7.656 -1.782 2.386 1.00 0.00 H new ATOM 0 HB2 PHE A 8 5.055 -1.709 0.811 1.00 0.00 H new ATOM 0 HB3 PHE A 8 5.482 -0.525 2.030 1.00 0.00 H new ATOM 0 HD1 PHE A 8 7.797 0.676 1.693 1.00 0.00 H new ATOM 0 HD2 PHE A 8 5.681 -1.345 -1.403 1.00 0.00 H new ATOM 0 HE1 PHE A 8 9.035 1.965 0.008 1.00 0.00 H new ATOM 0 HE2 PHE A 8 6.916 -0.055 -3.091 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.595 1.603 -2.388 1.00 0.00 H new ATOM 88 N ARG A 9 5.902 -2.065 4.272 1.00 0.00 N ATOM 89 CA ARG A 9 5.193 -2.500 5.471 1.00 0.00 C ATOM 90 C ARG A 9 3.920 -1.685 5.677 1.00 0.00 C ATOM 91 O ARG A 9 3.584 -0.825 4.863 1.00 0.00 O ATOM 92 CB ARG A 9 6.101 -2.375 6.698 1.00 0.00 C ATOM 93 CG ARG A 9 6.377 -3.701 7.389 1.00 0.00 C ATOM 94 CD ARG A 9 7.585 -3.610 8.305 1.00 0.00 C ATOM 95 NE ARG A 9 7.318 -2.793 9.486 1.00 0.00 N ATOM 96 CZ ARG A 9 6.644 -3.224 10.550 1.00 0.00 C ATOM 97 NH1 ARG A 9 6.170 -4.462 10.586 1.00 0.00 N ATOM 98 NH2 ARG A 9 6.445 -2.413 11.580 1.00 0.00 N ATOM 0 H ARG A 9 6.320 -1.137 4.342 1.00 0.00 H new ATOM 0 HA ARG A 9 4.914 -3.545 5.340 1.00 0.00 H new ATOM 0 HB2 ARG A 9 7.048 -1.929 6.395 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.641 -1.692 7.412 1.00 0.00 H new ATOM 0 HG2 ARG A 9 5.503 -4.000 7.967 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.544 -4.475 6.640 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.879 -4.612 8.617 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.426 -3.187 7.755 1.00 0.00 H new ATOM 0 HE ARG A 9 7.669 -1.835 9.496 1.00 0.00 H new ATOM 0 HH11 ARG A 9 6.321 -5.089 9.796 1.00 0.00 H new ATOM 0 HH12 ARG A 9 5.654 -4.787 11.404 1.00 0.00 H new ATOM 0 HH21 ARG A 9 6.808 -1.460 11.556 1.00 0.00 H new ATOM 0 HH22 ARG A 9 5.929 -2.742 12.396 1.00 0.00 H new ATOM 112 N VAL A 10 3.217 -1.962 6.770 1.00 0.00 N ATOM 113 CA VAL A 10 1.981 -1.255 7.084 1.00 0.00 C ATOM 114 C VAL A 10 2.273 0.127 7.660 1.00 0.00 C ATOM 115 O VAL A 10 2.963 0.255 8.672 1.00 0.00 O ATOM 116 CB VAL A 10 1.119 -2.045 8.087 1.00 0.00 C ATOM 117 CG1 VAL A 10 -0.231 -1.370 8.280 1.00 0.00 C ATOM 118 CG2 VAL A 10 0.941 -3.484 7.623 1.00 0.00 C ATOM 0 H VAL A 10 3.482 -2.671 7.453 1.00 0.00 H new ATOM 0 HA VAL A 10 1.430 -1.150 6.149 1.00 0.00 H new ATOM 0 HB VAL A 10 1.634 -2.058 9.048 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.826 -1.943 8.992 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.082 -0.360 8.662 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.754 -1.323 7.325 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.329 -4.026 8.344 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.449 -3.494 6.650 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.917 -3.963 7.542 1.00 0.00 H new ATOM 128 N GLY A 11 1.742 1.158 7.011 1.00 0.00 N ATOM 129 CA GLY A 11 1.957 2.516 7.473 1.00 0.00 C ATOM 130 C GLY A 11 3.120 3.190 6.773 1.00 0.00 C ATOM 131 O GLY A 11 3.758 4.082 7.334 1.00 0.00 O ATOM 0 H GLY A 11 1.166 1.077 6.173 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.051 3.100 7.309 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.140 2.506 8.547 1.00 0.00 H new ATOM 135 N GLU A 12 3.398 2.765 5.545 1.00 0.00 N ATOM 136 CA GLU A 12 4.492 3.334 4.767 1.00 0.00 C ATOM 137 C GLU A 12 3.960 4.124 3.577 1.00 0.00 C ATOM 138 O GLU A 12 2.886 3.828 3.052 1.00 0.00 O ATOM 139 CB GLU A 12 5.430 2.227 4.282 1.00 0.00 C ATOM 140 CG GLU A 12 6.135 1.489 5.409 1.00 0.00 C ATOM 141 CD GLU A 12 7.618 1.306 5.150 1.00 0.00 C ATOM 142 OE1 GLU A 12 8.260 2.265 4.674 1.00 0.00 O ATOM 143 OE2 GLU A 12 8.136 0.203 5.422 1.00 0.00 O ATOM 0 H GLU A 12 2.880 2.028 5.067 1.00 0.00 H new ATOM 0 HA GLU A 12 5.048 4.015 5.412 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.858 1.511 3.692 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.179 2.661 3.619 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.998 2.039 6.340 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.671 0.512 5.545 1.00 0.00 H new ATOM 150 N ARG A 13 4.717 5.131 3.155 1.00 0.00 N ATOM 151 CA ARG A 13 4.322 5.965 2.027 1.00 0.00 C ATOM 152 C ARG A 13 4.797 5.361 0.709 1.00 0.00 C ATOM 153 O ARG A 13 5.998 5.249 0.464 1.00 0.00 O ATOM 154 CB ARG A 13 4.887 7.378 2.186 1.00 0.00 C ATOM 155 CG ARG A 13 4.273 8.391 1.234 1.00 0.00 C ATOM 156 CD ARG A 13 2.790 8.580 1.504 1.00 0.00 C ATOM 157 NE ARG A 13 2.334 9.921 1.143 1.00 0.00 N ATOM 158 CZ ARG A 13 2.525 10.998 1.902 1.00 0.00 C ATOM 159 NH1 ARG A 13 3.161 10.896 3.063 1.00 0.00 N ATOM 160 NH2 ARG A 13 2.079 12.179 1.499 1.00 0.00 N ATOM 0 H ARG A 13 5.608 5.389 3.578 1.00 0.00 H new ATOM 0 HA ARG A 13 3.233 6.016 2.011 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.725 7.711 3.211 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.965 7.349 2.026 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.787 9.347 1.336 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.418 8.060 0.206 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.222 7.840 0.940 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.588 8.400 2.560 1.00 0.00 H new ATOM 0 HE ARG A 13 1.841 10.038 0.258 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.506 9.989 3.377 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.305 11.725 3.640 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.590 12.262 0.608 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.225 13.005 2.080 1.00 0.00 H new ATOM 174 N VAL A 14 3.847 4.974 -0.135 1.00 0.00 N ATOM 175 CA VAL A 14 4.167 4.382 -1.428 1.00 0.00 C ATOM 176 C VAL A 14 3.533 5.173 -2.567 1.00 0.00 C ATOM 177 O VAL A 14 2.494 5.810 -2.390 1.00 0.00 O ATOM 178 CB VAL A 14 3.693 2.918 -1.510 1.00 0.00 C ATOM 179 CG1 VAL A 14 4.507 2.039 -0.573 1.00 0.00 C ATOM 180 CG2 VAL A 14 2.209 2.820 -1.190 1.00 0.00 C ATOM 0 H VAL A 14 2.848 5.060 0.054 1.00 0.00 H new ATOM 0 HA VAL A 14 5.252 4.411 -1.528 1.00 0.00 H new ATOM 0 HB VAL A 14 3.847 2.562 -2.529 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.158 1.009 -0.645 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.559 2.086 -0.853 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.388 2.392 0.452 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.891 1.779 -1.253 1.00 0.00 H new ATOM 0 HG22 VAL A 14 2.029 3.194 -0.182 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.642 3.416 -1.905 1.00 0.00 H new ATOM 190 N TRP A 15 4.164 5.130 -3.736 1.00 0.00 N ATOM 191 CA TRP A 15 3.663 5.845 -4.903 1.00 0.00 C ATOM 192 C TRP A 15 3.116 4.872 -5.944 1.00 0.00 C ATOM 193 O TRP A 15 3.876 4.254 -6.690 1.00 0.00 O ATOM 194 CB TRP A 15 4.773 6.701 -5.517 1.00 0.00 C ATOM 195 CG TRP A 15 4.595 8.169 -5.276 1.00 0.00 C ATOM 196 CD1 TRP A 15 4.181 9.104 -6.181 1.00 0.00 C ATOM 197 CD2 TRP A 15 4.828 8.871 -4.049 1.00 0.00 C ATOM 198 NE1 TRP A 15 4.142 10.345 -5.591 1.00 0.00 N ATOM 199 CE2 TRP A 15 4.534 10.228 -4.284 1.00 0.00 C ATOM 200 CE3 TRP A 15 5.255 8.484 -2.776 1.00 0.00 C ATOM 201 CZ2 TRP A 15 4.654 11.197 -3.291 1.00 0.00 C ATOM 202 CZ3 TRP A 15 5.374 9.447 -1.792 1.00 0.00 C ATOM 203 CH2 TRP A 15 5.075 10.790 -2.054 1.00 0.00 C ATOM 0 H TRP A 15 5.024 4.607 -3.900 1.00 0.00 H new ATOM 0 HA TRP A 15 2.850 6.495 -4.580 1.00 0.00 H new ATOM 0 HB2 TRP A 15 5.733 6.387 -5.107 1.00 0.00 H new ATOM 0 HB3 TRP A 15 4.810 6.519 -6.591 1.00 0.00 H new ATOM 0 HD1 TRP A 15 3.922 8.899 -7.209 1.00 0.00 H new ATOM 0 HE1 TRP A 15 3.866 11.212 -6.052 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.488 7.451 -2.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 4.423 12.233 -3.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.703 9.159 -0.804 1.00 0.00 H new ATOM 0 HH2 TRP A 15 5.179 11.519 -1.264 1.00 0.00 H new ATOM 214 N VAL A 16 1.794 4.743 -5.992 1.00 0.00 N ATOM 215 CA VAL A 16 1.148 3.847 -6.944 1.00 0.00 C ATOM 216 C VAL A 16 1.177 4.431 -8.352 1.00 0.00 C ATOM 217 O VAL A 16 1.007 5.635 -8.539 1.00 0.00 O ATOM 218 CB VAL A 16 -0.313 3.563 -6.548 1.00 0.00 C ATOM 219 CG1 VAL A 16 -0.898 2.463 -7.419 1.00 0.00 C ATOM 220 CG2 VAL A 16 -0.407 3.193 -5.076 1.00 0.00 C ATOM 0 H VAL A 16 1.150 5.247 -5.383 1.00 0.00 H new ATOM 0 HA VAL A 16 1.708 2.912 -6.928 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.895 4.471 -6.708 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.931 2.276 -7.124 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.869 2.772 -8.464 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.314 1.551 -7.294 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.447 2.996 -4.816 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.190 2.301 -4.886 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -0.031 4.017 -4.469 1.00 0.00 H new ATOM 230 N ASN A 17 1.397 3.570 -9.341 1.00 0.00 N ATOM 231 CA ASN A 17 1.449 4.001 -10.733 1.00 0.00 C ATOM 232 C ASN A 17 2.537 5.052 -10.942 1.00 0.00 C ATOM 233 O ASN A 17 2.493 5.822 -11.902 1.00 0.00 O ATOM 234 CB ASN A 17 0.092 4.560 -11.167 1.00 0.00 C ATOM 235 CG ASN A 17 -0.740 3.539 -11.918 1.00 0.00 C ATOM 236 OD1 ASN A 17 -0.574 2.333 -11.739 1.00 0.00 O ATOM 237 ND2 ASN A 17 -1.642 4.020 -12.767 1.00 0.00 N ATOM 0 H ASN A 17 1.542 2.570 -9.204 1.00 0.00 H new ATOM 0 HA ASN A 17 1.690 3.132 -11.345 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -0.457 4.896 -10.288 1.00 0.00 H new ATOM 0 HB3 ASN A 17 0.248 5.434 -11.799 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -2.231 3.381 -13.302 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -1.746 5.028 -12.884 1.00 0.00 H new ATOM 244 N GLY A 18 3.514 5.079 -10.039 1.00 0.00 N ATOM 245 CA GLY A 18 4.598 6.038 -10.146 1.00 0.00 C ATOM 246 C GLY A 18 4.107 7.472 -10.207 1.00 0.00 C ATOM 247 O GLY A 18 4.768 8.337 -10.783 1.00 0.00 O ATOM 0 H GLY A 18 3.573 4.453 -9.236 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.265 5.923 -9.292 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.183 5.820 -11.039 1.00 0.00 H new ATOM 251 N ASN A 19 2.945 7.726 -9.613 1.00 0.00 N ATOM 252 CA ASN A 19 2.369 9.066 -9.605 1.00 0.00 C ATOM 253 C ASN A 19 1.078 9.101 -8.794 1.00 0.00 C ATOM 254 O ASN A 19 0.128 9.798 -9.150 1.00 0.00 O ATOM 255 CB ASN A 19 2.101 9.537 -11.036 1.00 0.00 C ATOM 256 CG ASN A 19 2.534 10.973 -11.263 1.00 0.00 C ATOM 257 OD1 ASN A 19 1.726 11.827 -11.628 1.00 0.00 O ATOM 258 ND2 ASN A 19 3.816 11.245 -11.048 1.00 0.00 N ATOM 0 H ASN A 19 2.385 7.023 -9.132 1.00 0.00 H new ATOM 0 HA ASN A 19 3.087 9.739 -9.137 1.00 0.00 H new ATOM 0 HB2 ASN A 19 2.628 8.887 -11.734 1.00 0.00 H new ATOM 0 HB3 ASN A 19 1.037 9.443 -11.253 1.00 0.00 H new ATOM 0 HD21 ASN A 19 4.166 12.193 -11.185 1.00 0.00 H new ATOM 0 HD22 ASN A 19 4.451 10.506 -10.746 1.00 0.00 H new ATOM 265 N LYS A 20 1.050 8.347 -7.699 1.00 0.00 N ATOM 266 CA LYS A 20 -0.125 8.293 -6.837 1.00 0.00 C ATOM 267 C LYS A 20 0.257 7.848 -5.425 1.00 0.00 C ATOM 268 O LYS A 20 0.272 6.655 -5.125 1.00 0.00 O ATOM 269 CB LYS A 20 -1.168 7.337 -7.419 1.00 0.00 C ATOM 270 CG LYS A 20 -1.546 7.652 -8.857 1.00 0.00 C ATOM 271 CD LYS A 20 -2.697 6.779 -9.334 1.00 0.00 C ATOM 272 CE LYS A 20 -3.429 7.413 -10.505 1.00 0.00 C ATOM 273 NZ LYS A 20 -3.772 6.411 -11.553 1.00 0.00 N ATOM 0 H LYS A 20 1.828 7.765 -7.388 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.551 9.295 -6.782 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.784 6.318 -7.368 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -2.065 7.371 -6.801 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.826 8.702 -8.939 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.681 7.501 -9.503 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.316 5.801 -9.628 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.395 6.615 -8.513 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.341 7.891 -10.147 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.808 8.196 -10.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -4.702 6.638 -11.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.052 6.433 -12.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.802 5.462 -11.129 1.00 0.00 H new ATOM 287 N PRO A 21 0.570 8.808 -4.536 1.00 0.00 N ATOM 288 CA PRO A 21 0.953 8.505 -3.153 1.00 0.00 C ATOM 289 C PRO A 21 -0.210 7.949 -2.339 1.00 0.00 C ATOM 290 O PRO A 21 -1.375 8.153 -2.681 1.00 0.00 O ATOM 291 CB PRO A 21 1.395 9.861 -2.597 1.00 0.00 C ATOM 292 CG PRO A 21 0.686 10.866 -3.438 1.00 0.00 C ATOM 293 CD PRO A 21 0.579 10.257 -4.808 1.00 0.00 C ATOM 0 HA PRO A 21 1.727 7.739 -3.105 1.00 0.00 H new ATOM 0 HB2 PRO A 21 1.126 9.964 -1.546 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.476 9.982 -2.663 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.301 11.089 -3.032 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.237 11.806 -3.471 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.329 10.576 -5.320 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.419 10.542 -5.442 1.00 0.00 H new ATOM 301 N GLY A 22 0.114 7.246 -1.259 1.00 0.00 N ATOM 302 CA GLY A 22 -0.913 6.670 -0.411 1.00 0.00 C ATOM 303 C GLY A 22 -0.336 5.851 0.726 1.00 0.00 C ATOM 304 O GLY A 22 0.719 5.232 0.581 1.00 0.00 O ATOM 0 H GLY A 22 1.071 7.065 -0.956 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.531 7.469 -0.002 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.566 6.039 -1.014 1.00 0.00 H new ATOM 308 N PHE A 23 -1.027 5.848 1.862 1.00 0.00 N ATOM 309 CA PHE A 23 -0.575 5.099 3.029 1.00 0.00 C ATOM 310 C PHE A 23 -1.077 3.659 2.981 1.00 0.00 C ATOM 311 O PHE A 23 -2.243 3.408 2.678 1.00 0.00 O ATOM 312 CB PHE A 23 -1.057 5.776 4.313 1.00 0.00 C ATOM 313 CG PHE A 23 -0.322 7.046 4.634 1.00 0.00 C ATOM 314 CD1 PHE A 23 -0.667 8.236 4.014 1.00 0.00 C ATOM 315 CD2 PHE A 23 0.713 7.049 5.555 1.00 0.00 C ATOM 316 CE1 PHE A 23 0.007 9.406 4.308 1.00 0.00 C ATOM 317 CE2 PHE A 23 1.390 8.216 5.853 1.00 0.00 C ATOM 318 CZ PHE A 23 1.037 9.397 5.228 1.00 0.00 C ATOM 0 H PHE A 23 -1.901 6.355 1.999 1.00 0.00 H new ATOM 0 HA PHE A 23 0.515 5.085 3.020 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.121 5.995 4.221 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.945 5.081 5.145 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -1.471 8.249 3.293 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.994 6.129 6.046 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -0.272 10.327 3.818 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.194 8.205 6.574 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.565 10.310 5.458 1.00 0.00 H new ATOM 328 N ILE A 24 -0.189 2.718 3.282 1.00 0.00 N ATOM 329 CA ILE A 24 -0.542 1.304 3.274 1.00 0.00 C ATOM 330 C ILE A 24 -1.229 0.903 4.575 1.00 0.00 C ATOM 331 O ILE A 24 -0.811 1.307 5.659 1.00 0.00 O ATOM 332 CB ILE A 24 0.700 0.414 3.068 1.00 0.00 C ATOM 333 CG1 ILE A 24 1.504 0.894 1.857 1.00 0.00 C ATOM 334 CG2 ILE A 24 0.287 -1.040 2.892 1.00 0.00 C ATOM 335 CD1 ILE A 24 2.970 0.524 1.922 1.00 0.00 C ATOM 0 H ILE A 24 0.781 2.909 3.535 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.228 1.155 2.441 1.00 0.00 H new ATOM 0 HB ILE A 24 1.332 0.488 3.953 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.070 0.470 0.951 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.414 1.977 1.777 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.175 -1.656 2.748 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.247 -1.377 3.780 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.363 -1.131 2.022 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.479 0.895 1.032 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.419 0.970 2.809 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.070 -0.560 1.971 1.00 0.00 H new ATOM 347 N GLN A 25 -2.288 0.108 4.459 1.00 0.00 N ATOM 348 CA GLN A 25 -3.035 -0.346 5.626 1.00 0.00 C ATOM 349 C GLN A 25 -3.024 -1.868 5.723 1.00 0.00 C ATOM 350 O GLN A 25 -2.682 -2.431 6.764 1.00 0.00 O ATOM 351 CB GLN A 25 -4.477 0.161 5.564 1.00 0.00 C ATOM 352 CG GLN A 25 -4.607 1.654 5.814 1.00 0.00 C ATOM 353 CD GLN A 25 -4.164 2.054 7.207 1.00 0.00 C ATOM 354 OE1 GLN A 25 -4.045 1.213 8.099 1.00 0.00 O ATOM 355 NE2 GLN A 25 -3.917 3.344 7.403 1.00 0.00 N ATOM 0 H GLN A 25 -2.648 -0.235 3.568 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.551 0.060 6.514 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -4.894 -0.073 4.584 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.074 -0.376 6.301 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.011 2.195 5.078 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.645 1.954 5.667 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.028 4.007 6.636 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.616 3.672 8.321 1.00 0.00 H new ATOM 364 N PHE A 26 -3.398 -2.529 4.632 1.00 0.00 N ATOM 365 CA PHE A 26 -3.431 -3.986 4.595 1.00 0.00 C ATOM 366 C PHE A 26 -2.243 -4.539 3.816 1.00 0.00 C ATOM 367 O PHE A 26 -1.700 -3.871 2.936 1.00 0.00 O ATOM 368 CB PHE A 26 -4.738 -4.471 3.966 1.00 0.00 C ATOM 369 CG PHE A 26 -5.034 -5.919 4.238 1.00 0.00 C ATOM 370 CD1 PHE A 26 -4.466 -6.914 3.459 1.00 0.00 C ATOM 371 CD2 PHE A 26 -5.879 -6.283 5.274 1.00 0.00 C ATOM 372 CE1 PHE A 26 -4.737 -8.247 3.708 1.00 0.00 C ATOM 373 CE2 PHE A 26 -6.153 -7.614 5.528 1.00 0.00 C ATOM 374 CZ PHE A 26 -5.581 -8.597 4.743 1.00 0.00 C ATOM 0 H PHE A 26 -3.682 -2.078 3.762 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.371 -4.351 5.620 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.561 -3.863 4.343 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.693 -4.314 2.888 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.804 -6.646 2.649 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.329 -5.518 5.890 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -4.289 -9.014 3.093 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -6.813 -7.885 6.339 1.00 0.00 H new ATOM 0 HZ PHE A 26 -5.794 -9.638 4.939 1.00 0.00 H new ATOM 384 N LEU A 27 -1.845 -5.763 4.145 1.00 0.00 N ATOM 385 CA LEU A 27 -0.721 -6.409 3.476 1.00 0.00 C ATOM 386 C LEU A 27 -0.901 -7.923 3.454 1.00 0.00 C ATOM 387 O LEU A 27 -1.370 -8.517 4.424 1.00 0.00 O ATOM 388 CB LEU A 27 0.592 -6.047 4.173 1.00 0.00 C ATOM 389 CG LEU A 27 1.356 -4.879 3.547 1.00 0.00 C ATOM 390 CD1 LEU A 27 2.565 -4.515 4.396 1.00 0.00 C ATOM 391 CD2 LEU A 27 1.784 -5.223 2.127 1.00 0.00 C ATOM 0 H LEU A 27 -2.284 -6.328 4.871 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.686 -6.051 2.447 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.378 -5.805 5.214 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.238 -6.925 4.176 1.00 0.00 H new ATOM 0 HG LEU A 27 0.692 -4.015 3.507 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.096 -3.682 3.935 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.235 -4.227 5.394 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.231 -5.375 4.468 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.326 -4.381 1.696 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.430 -6.100 2.144 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.902 -5.434 1.522 1.00 0.00 H new ATOM 403 N GLY A 28 -0.526 -8.542 2.339 1.00 0.00 N ATOM 404 CA GLY A 28 -0.655 -9.982 2.211 1.00 0.00 C ATOM 405 C GLY A 28 -1.738 -10.381 1.228 1.00 0.00 C ATOM 406 O GLY A 28 -2.421 -9.526 0.665 1.00 0.00 O ATOM 0 H GLY A 28 -0.135 -8.072 1.522 1.00 0.00 H new ATOM 0 HA2 GLY A 28 0.298 -10.402 1.888 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.878 -10.412 3.187 1.00 0.00 H new ATOM 410 N GLU A 29 -1.894 -11.685 1.020 1.00 0.00 N ATOM 411 CA GLU A 29 -2.902 -12.195 0.097 1.00 0.00 C ATOM 412 C GLU A 29 -4.303 -11.785 0.540 1.00 0.00 C ATOM 413 O GLU A 29 -4.561 -11.598 1.729 1.00 0.00 O ATOM 414 CB GLU A 29 -2.811 -13.719 0.001 1.00 0.00 C ATOM 415 CG GLU A 29 -2.675 -14.407 1.349 1.00 0.00 C ATOM 416 CD GLU A 29 -3.474 -15.694 1.430 1.00 0.00 C ATOM 417 OE1 GLU A 29 -3.641 -16.356 0.384 1.00 0.00 O ATOM 418 OE2 GLU A 29 -3.932 -16.040 2.539 1.00 0.00 O ATOM 0 H GLU A 29 -1.336 -12.406 1.477 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.710 -11.763 -0.885 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.701 -14.097 -0.502 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.956 -13.985 -0.621 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.624 -14.624 1.538 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.006 -13.728 2.135 1.00 0.00 H new ATOM 425 N THR A 30 -5.205 -11.647 -0.427 1.00 0.00 N ATOM 426 CA THR A 30 -6.582 -11.259 -0.139 1.00 0.00 C ATOM 427 C THR A 30 -7.533 -12.429 -0.369 1.00 0.00 C ATOM 428 O THR A 30 -7.105 -13.534 -0.703 1.00 0.00 O ATOM 429 CB THR A 30 -6.992 -10.073 -1.012 1.00 0.00 C ATOM 430 OG1 THR A 30 -6.802 -10.369 -2.384 1.00 0.00 O ATOM 431 CG2 THR A 30 -6.221 -8.807 -0.704 1.00 0.00 C ATOM 0 H THR A 30 -5.007 -11.798 -1.416 1.00 0.00 H new ATOM 0 HA THR A 30 -6.641 -10.966 0.909 1.00 0.00 H new ATOM 0 HB THR A 30 -8.045 -9.901 -0.788 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.020 -9.882 -2.718 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.561 -8.005 -1.359 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.389 -8.523 0.335 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.157 -8.980 -0.866 1.00 0.00 H new ATOM 439 N GLN A 31 -8.826 -12.178 -0.187 1.00 0.00 N ATOM 440 CA GLN A 31 -9.837 -13.212 -0.376 1.00 0.00 C ATOM 441 C GLN A 31 -10.439 -13.136 -1.775 1.00 0.00 C ATOM 442 O GLN A 31 -10.715 -14.161 -2.398 1.00 0.00 O ATOM 443 CB GLN A 31 -10.940 -13.072 0.675 1.00 0.00 C ATOM 444 CG GLN A 31 -10.470 -13.362 2.092 1.00 0.00 C ATOM 445 CD GLN A 31 -11.577 -13.903 2.974 1.00 0.00 C ATOM 446 OE1 GLN A 31 -12.356 -14.761 2.557 1.00 0.00 O ATOM 447 NE2 GLN A 31 -11.654 -13.403 4.202 1.00 0.00 N ATOM 0 H GLN A 31 -9.197 -11.269 0.091 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.355 -14.183 -0.261 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.343 -12.060 0.635 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.756 -13.750 0.426 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.652 -14.082 2.059 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.073 -12.448 2.533 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.988 -12.693 4.506 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.379 -13.729 4.841 1.00 0.00 H new ATOM 456 N PHE A 32 -10.641 -11.916 -2.261 1.00 0.00 N ATOM 457 CA PHE A 32 -11.212 -11.708 -3.588 1.00 0.00 C ATOM 458 C PHE A 32 -10.265 -12.211 -4.673 1.00 0.00 C ATOM 459 O PHE A 32 -10.681 -12.912 -5.595 1.00 0.00 O ATOM 460 CB PHE A 32 -11.516 -10.225 -3.808 1.00 0.00 C ATOM 461 CG PHE A 32 -10.295 -9.350 -3.780 1.00 0.00 C ATOM 462 CD1 PHE A 32 -9.585 -9.092 -4.941 1.00 0.00 C ATOM 463 CD2 PHE A 32 -9.858 -8.786 -2.593 1.00 0.00 C ATOM 464 CE1 PHE A 32 -8.461 -8.289 -4.919 1.00 0.00 C ATOM 465 CE2 PHE A 32 -8.736 -7.981 -2.563 1.00 0.00 C ATOM 466 CZ PHE A 32 -8.036 -7.732 -3.729 1.00 0.00 C ATOM 0 H PHE A 32 -10.419 -11.057 -1.758 1.00 0.00 H new ATOM 0 HA PHE A 32 -12.140 -12.276 -3.650 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -12.017 -10.104 -4.768 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -12.212 -9.888 -3.040 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.914 -9.524 -5.875 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -10.401 -8.978 -1.680 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.916 -8.097 -5.831 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.406 -7.547 -1.631 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.158 -7.103 -3.709 1.00 0.00 H new ATOM 476 N ALA A 33 -8.991 -11.851 -4.554 1.00 0.00 N ATOM 477 CA ALA A 33 -7.986 -12.267 -5.526 1.00 0.00 C ATOM 478 C ALA A 33 -6.760 -12.853 -4.830 1.00 0.00 C ATOM 479 O ALA A 33 -6.379 -12.408 -3.747 1.00 0.00 O ATOM 480 CB ALA A 33 -7.586 -11.092 -6.406 1.00 0.00 C ATOM 0 H ALA A 33 -8.630 -11.273 -3.795 1.00 0.00 H new ATOM 0 HA ALA A 33 -8.421 -13.045 -6.154 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.835 -11.416 -7.127 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.462 -10.720 -6.937 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.173 -10.297 -5.785 1.00 0.00 H new ATOM 486 N PRO A 34 -6.121 -13.864 -5.447 1.00 0.00 N ATOM 487 CA PRO A 34 -4.934 -14.508 -4.880 1.00 0.00 C ATOM 488 C PRO A 34 -3.687 -13.637 -4.999 1.00 0.00 C ATOM 489 O PRO A 34 -3.724 -12.563 -5.598 1.00 0.00 O ATOM 490 CB PRO A 34 -4.785 -15.772 -5.727 1.00 0.00 C ATOM 491 CG PRO A 34 -5.385 -15.413 -7.042 1.00 0.00 C ATOM 492 CD PRO A 34 -6.508 -14.457 -6.741 1.00 0.00 C ATOM 0 HA PRO A 34 -5.043 -14.700 -3.813 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -3.738 -16.058 -5.833 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -5.302 -16.617 -5.273 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -4.645 -14.951 -7.695 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.755 -16.300 -7.557 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.607 -13.698 -7.517 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -7.466 -14.972 -6.675 1.00 0.00 H new ATOM 500 N GLY A 35 -2.585 -14.109 -4.424 1.00 0.00 N ATOM 501 CA GLY A 35 -1.343 -13.362 -4.478 1.00 0.00 C ATOM 502 C GLY A 35 -1.260 -12.292 -3.407 1.00 0.00 C ATOM 503 O GLY A 35 -2.265 -11.667 -3.066 1.00 0.00 O ATOM 0 H GLY A 35 -2.531 -14.995 -3.922 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.505 -14.049 -4.366 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.245 -12.897 -5.459 1.00 0.00 H new ATOM 507 N GLN A 36 -0.060 -12.080 -2.877 1.00 0.00 N ATOM 508 CA GLN A 36 0.152 -11.078 -1.839 1.00 0.00 C ATOM 509 C GLN A 36 -0.177 -9.680 -2.355 1.00 0.00 C ATOM 510 O GLN A 36 0.538 -9.136 -3.197 1.00 0.00 O ATOM 511 CB GLN A 36 1.599 -11.127 -1.342 1.00 0.00 C ATOM 512 CG GLN A 36 1.754 -11.798 0.013 1.00 0.00 C ATOM 513 CD GLN A 36 2.989 -12.674 0.092 1.00 0.00 C ATOM 514 OE1 GLN A 36 3.845 -12.643 -0.794 1.00 0.00 O ATOM 515 NE2 GLN A 36 3.089 -13.462 1.156 1.00 0.00 N ATOM 0 H GLN A 36 0.781 -12.589 -3.149 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.517 -11.303 -1.009 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.208 -11.659 -2.073 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.988 -10.111 -1.282 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.805 -11.034 0.789 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.871 -12.403 0.218 1.00 0.00 H new ATOM 0 HE21 GLN A 36 2.357 -13.456 1.866 1.00 0.00 H new ATOM 0 HE22 GLN A 36 3.898 -14.073 1.263 1.00 0.00 H new ATOM 524 N TRP A 37 -1.261 -9.106 -1.846 1.00 0.00 N ATOM 525 CA TRP A 37 -1.682 -7.772 -2.255 1.00 0.00 C ATOM 526 C TRP A 37 -1.219 -6.724 -1.248 1.00 0.00 C ATOM 527 O TRP A 37 -0.836 -7.054 -0.126 1.00 0.00 O ATOM 528 CB TRP A 37 -3.204 -7.717 -2.401 1.00 0.00 C ATOM 529 CG TRP A 37 -3.719 -8.526 -3.552 1.00 0.00 C ATOM 530 CD1 TRP A 37 -4.223 -9.794 -3.502 1.00 0.00 C ATOM 531 CD2 TRP A 37 -3.781 -8.122 -4.925 1.00 0.00 C ATOM 532 NE1 TRP A 37 -4.593 -10.203 -4.761 1.00 0.00 N ATOM 533 CE2 TRP A 37 -4.333 -9.195 -5.651 1.00 0.00 C ATOM 534 CE3 TRP A 37 -3.424 -6.957 -5.611 1.00 0.00 C ATOM 535 CZ2 TRP A 37 -4.534 -9.137 -7.027 1.00 0.00 C ATOM 536 CZ3 TRP A 37 -3.625 -6.901 -6.978 1.00 0.00 C ATOM 537 CH2 TRP A 37 -4.176 -7.985 -7.673 1.00 0.00 C ATOM 0 H TRP A 37 -1.864 -9.544 -1.149 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.223 -7.553 -3.219 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.663 -8.075 -1.480 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.512 -6.679 -2.528 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -4.317 -10.388 -2.605 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -4.996 -11.110 -4.995 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.999 -6.116 -5.083 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.958 -9.972 -7.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.353 -6.007 -7.519 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.321 -7.910 -8.741 1.00 0.00 H new ATOM 548 N ALA A 38 -1.255 -5.460 -1.657 1.00 0.00 N ATOM 549 CA ALA A 38 -0.838 -4.365 -0.790 1.00 0.00 C ATOM 550 C ALA A 38 -1.835 -3.212 -0.844 1.00 0.00 C ATOM 551 O ALA A 38 -1.823 -2.412 -1.779 1.00 0.00 O ATOM 552 CB ALA A 38 0.550 -3.883 -1.181 1.00 0.00 C ATOM 0 H ALA A 38 -1.569 -5.169 -2.583 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.807 -4.736 0.234 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.849 -3.065 -0.526 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.261 -4.704 -1.085 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.537 -3.534 -2.214 1.00 0.00 H new ATOM 558 N GLY A 39 -2.696 -3.133 0.166 1.00 0.00 N ATOM 559 CA GLY A 39 -3.686 -2.073 0.214 1.00 0.00 C ATOM 560 C GLY A 39 -3.061 -0.705 0.397 1.00 0.00 C ATOM 561 O GLY A 39 -2.276 -0.491 1.321 1.00 0.00 O ATOM 0 H GLY A 39 -2.726 -3.783 0.951 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.269 -2.083 -0.707 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.380 -2.265 1.033 1.00 0.00 H new ATOM 565 N ILE A 40 -3.407 0.225 -0.487 1.00 0.00 N ATOM 566 CA ILE A 40 -2.875 1.581 -0.420 1.00 0.00 C ATOM 567 C ILE A 40 -3.998 2.608 -0.322 1.00 0.00 C ATOM 568 O ILE A 40 -4.982 2.539 -1.058 1.00 0.00 O ATOM 569 CB ILE A 40 -2.003 1.904 -1.648 1.00 0.00 C ATOM 570 CG1 ILE A 40 -0.966 0.801 -1.874 1.00 0.00 C ATOM 571 CG2 ILE A 40 -1.320 3.254 -1.475 1.00 0.00 C ATOM 572 CD1 ILE A 40 -0.862 0.356 -3.317 1.00 0.00 C ATOM 0 H ILE A 40 -4.054 0.064 -1.259 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.259 1.635 0.477 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.647 1.954 -2.526 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.009 1.156 -1.541 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.221 -0.059 -1.254 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.708 3.467 -2.351 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.075 4.032 -1.362 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.688 3.231 -0.588 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.109 -0.427 -3.403 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.826 -0.030 -3.649 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.577 1.204 -3.940 1.00 0.00 H new ATOM 584 N VAL A 41 -3.843 3.562 0.590 1.00 0.00 N ATOM 585 CA VAL A 41 -4.843 4.604 0.784 1.00 0.00 C ATOM 586 C VAL A 41 -4.443 5.887 0.061 1.00 0.00 C ATOM 587 O VAL A 41 -3.620 6.657 0.553 1.00 0.00 O ATOM 588 CB VAL A 41 -5.052 4.914 2.279 1.00 0.00 C ATOM 589 CG1 VAL A 41 -6.201 5.891 2.469 1.00 0.00 C ATOM 590 CG2 VAL A 41 -5.299 3.632 3.061 1.00 0.00 C ATOM 0 H VAL A 41 -3.034 3.635 1.206 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.777 4.228 0.367 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.144 5.379 2.663 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.332 6.097 3.531 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -5.979 6.820 1.944 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.117 5.458 2.068 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.444 3.871 4.115 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.190 3.136 2.675 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.440 2.969 2.954 1.00 0.00 H new ATOM 600 N LEU A 42 -5.033 6.109 -1.109 1.00 0.00 N ATOM 601 CA LEU A 42 -4.738 7.298 -1.900 1.00 0.00 C ATOM 602 C LEU A 42 -5.161 8.563 -1.158 1.00 0.00 C ATOM 603 O LEU A 42 -6.175 8.576 -0.460 1.00 0.00 O ATOM 604 CB LEU A 42 -5.447 7.225 -3.254 1.00 0.00 C ATOM 605 CG LEU A 42 -4.850 6.223 -4.243 1.00 0.00 C ATOM 606 CD1 LEU A 42 -5.708 6.134 -5.496 1.00 0.00 C ATOM 607 CD2 LEU A 42 -3.423 6.609 -4.597 1.00 0.00 C ATOM 0 H LEU A 42 -5.718 5.481 -1.530 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.661 7.337 -2.064 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.493 6.968 -3.086 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.431 8.215 -3.709 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.832 5.241 -3.770 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.268 5.416 -6.188 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.713 5.809 -5.227 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.759 7.113 -5.972 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.014 5.885 -5.302 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.416 7.600 -5.050 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.814 6.619 -3.693 1.00 0.00 H new ATOM 619 N ASP A 43 -4.378 9.625 -1.315 1.00 0.00 N ATOM 620 CA ASP A 43 -4.670 10.895 -0.660 1.00 0.00 C ATOM 621 C ASP A 43 -5.770 11.651 -1.401 1.00 0.00 C ATOM 622 O ASP A 43 -6.511 12.430 -0.801 1.00 0.00 O ATOM 623 CB ASP A 43 -3.408 11.755 -0.583 1.00 0.00 C ATOM 624 CG ASP A 43 -3.449 12.743 0.566 1.00 0.00 C ATOM 625 OD1 ASP A 43 -3.079 12.357 1.695 1.00 0.00 O ATOM 626 OD2 ASP A 43 -3.853 13.903 0.337 1.00 0.00 O ATOM 0 H ASP A 43 -3.536 9.632 -1.890 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.019 10.681 0.350 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.538 11.108 -0.471 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.284 12.297 -1.520 1.00 0.00 H new ATOM 631 N GLU A 44 -5.870 11.417 -2.705 1.00 0.00 N ATOM 632 CA GLU A 44 -6.880 12.079 -3.525 1.00 0.00 C ATOM 633 C GLU A 44 -7.834 11.060 -4.143 1.00 0.00 C ATOM 634 O GLU A 44 -7.470 9.902 -4.350 1.00 0.00 O ATOM 635 CB GLU A 44 -6.212 12.904 -4.627 1.00 0.00 C ATOM 636 CG GLU A 44 -5.577 14.190 -4.123 1.00 0.00 C ATOM 637 CD GLU A 44 -6.456 15.403 -4.354 1.00 0.00 C ATOM 638 OE1 GLU A 44 -7.592 15.420 -3.835 1.00 0.00 O ATOM 639 OE2 GLU A 44 -6.009 16.336 -5.054 1.00 0.00 O ATOM 0 H GLU A 44 -5.265 10.775 -3.217 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.456 12.744 -2.881 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.448 12.297 -5.112 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.954 13.148 -5.387 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.368 14.095 -3.057 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -4.620 14.339 -4.623 1.00 0.00 H new ATOM 646 N PRO A 45 -9.074 11.481 -4.447 1.00 0.00 N ATOM 647 CA PRO A 45 -10.083 10.599 -5.045 1.00 0.00 C ATOM 648 C PRO A 45 -9.751 10.233 -6.488 1.00 0.00 C ATOM 649 O PRO A 45 -10.291 10.819 -7.427 1.00 0.00 O ATOM 650 CB PRO A 45 -11.364 11.434 -4.985 1.00 0.00 C ATOM 651 CG PRO A 45 -10.895 12.847 -4.978 1.00 0.00 C ATOM 652 CD PRO A 45 -9.589 12.846 -4.232 1.00 0.00 C ATOM 0 HA PRO A 45 -10.155 9.646 -4.520 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -12.007 11.235 -5.842 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -11.944 11.205 -4.091 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -10.764 13.220 -5.994 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -11.622 13.497 -4.491 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -8.904 13.600 -4.620 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -9.731 13.060 -3.173 1.00 0.00 H new ATOM 660 N ILE A 46 -8.863 9.259 -6.657 1.00 0.00 N ATOM 661 CA ILE A 46 -8.461 8.814 -7.986 1.00 0.00 C ATOM 662 C ILE A 46 -8.178 7.317 -8.001 1.00 0.00 C ATOM 663 O ILE A 46 -7.324 6.843 -8.753 1.00 0.00 O ATOM 664 CB ILE A 46 -7.210 9.567 -8.478 1.00 0.00 C ATOM 665 CG1 ILE A 46 -6.131 9.573 -7.394 1.00 0.00 C ATOM 666 CG2 ILE A 46 -7.573 10.989 -8.881 1.00 0.00 C ATOM 667 CD1 ILE A 46 -4.733 9.784 -7.934 1.00 0.00 C ATOM 0 H ILE A 46 -8.408 8.763 -5.890 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.292 9.031 -8.657 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.814 9.052 -9.353 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.356 10.359 -6.673 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.164 8.627 -6.854 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.679 11.509 -9.226 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.310 10.963 -9.683 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.990 11.515 -8.022 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.020 9.777 -7.110 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.488 8.984 -8.633 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.683 10.743 -8.449 1.00 0.00 H new ATOM 679 N GLY A 47 -8.899 6.574 -7.168 1.00 0.00 N ATOM 680 CA GLY A 47 -8.711 5.137 -7.102 1.00 0.00 C ATOM 681 C GLY A 47 -9.873 4.373 -7.706 1.00 0.00 C ATOM 682 O GLY A 47 -10.486 4.823 -8.673 1.00 0.00 O ATOM 0 H GLY A 47 -9.611 6.942 -6.537 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.793 4.869 -7.625 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.584 4.837 -6.062 1.00 0.00 H new ATOM 686 N LYS A 48 -10.175 3.212 -7.133 1.00 0.00 N ATOM 687 CA LYS A 48 -11.273 2.383 -7.619 1.00 0.00 C ATOM 688 C LYS A 48 -12.157 1.923 -6.465 1.00 0.00 C ATOM 689 O LYS A 48 -13.381 2.026 -6.530 1.00 0.00 O ATOM 690 CB LYS A 48 -10.726 1.170 -8.374 1.00 0.00 C ATOM 691 CG LYS A 48 -10.152 1.512 -9.740 1.00 0.00 C ATOM 692 CD LYS A 48 -11.185 1.335 -10.840 1.00 0.00 C ATOM 693 CE LYS A 48 -10.757 2.024 -12.124 1.00 0.00 C ATOM 694 NZ LYS A 48 -11.849 2.045 -13.135 1.00 0.00 N ATOM 0 H LYS A 48 -9.676 2.824 -6.333 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.878 2.983 -8.299 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.951 0.697 -7.771 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.525 0.439 -8.497 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.795 2.542 -9.738 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.290 0.876 -9.943 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.337 0.272 -11.030 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.142 1.740 -10.510 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.449 3.046 -11.902 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.889 1.512 -12.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.516 2.524 -13.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -12.127 1.070 -13.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.669 2.556 -12.750 1.00 0.00 H new ATOM 708 N ASN A 49 -11.527 1.416 -5.411 1.00 0.00 N ATOM 709 CA ASN A 49 -12.255 0.944 -4.240 1.00 0.00 C ATOM 710 C ASN A 49 -12.078 1.901 -3.067 1.00 0.00 C ATOM 711 O ASN A 49 -11.317 2.865 -3.150 1.00 0.00 O ATOM 712 CB ASN A 49 -11.778 -0.457 -3.848 1.00 0.00 C ATOM 713 CG ASN A 49 -12.081 -1.491 -4.913 1.00 0.00 C ATOM 714 OD1 ASN A 49 -13.243 -1.801 -5.181 1.00 0.00 O ATOM 715 ND2 ASN A 49 -11.036 -2.032 -5.529 1.00 0.00 N ATOM 0 H ASN A 49 -10.514 1.322 -5.344 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.314 0.902 -4.494 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.704 -0.434 -3.664 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -12.255 -0.752 -2.913 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.179 -2.734 -6.255 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.090 -1.746 -5.276 1.00 0.00 H new ATOM 722 N ASP A 50 -12.784 1.630 -1.975 1.00 0.00 N ATOM 723 CA ASP A 50 -12.703 2.470 -0.785 1.00 0.00 C ATOM 724 C ASP A 50 -12.681 1.618 0.480 1.00 0.00 C ATOM 725 O ASP A 50 -13.533 1.765 1.357 1.00 0.00 O ATOM 726 CB ASP A 50 -13.882 3.445 -0.743 1.00 0.00 C ATOM 727 CG ASP A 50 -15.220 2.732 -0.705 1.00 0.00 C ATOM 728 OD1 ASP A 50 -15.271 1.544 -1.089 1.00 0.00 O ATOM 729 OD2 ASP A 50 -16.216 3.362 -0.293 1.00 0.00 O ATOM 0 H ASP A 50 -13.418 0.836 -1.889 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.775 3.039 -0.832 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.789 4.085 0.134 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -13.844 4.095 -1.617 1.00 0.00 H new ATOM 734 N GLY A 51 -11.699 0.726 0.570 1.00 0.00 N ATOM 735 CA GLY A 51 -11.584 -0.136 1.730 1.00 0.00 C ATOM 736 C GLY A 51 -12.211 -1.499 1.506 1.00 0.00 C ATOM 737 O GLY A 51 -11.797 -2.488 2.109 1.00 0.00 O ATOM 0 H GLY A 51 -10.981 0.586 -0.141 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.531 -0.261 1.983 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -12.062 0.344 2.584 1.00 0.00 H new ATOM 741 N SER A 52 -13.213 -1.550 0.633 1.00 0.00 N ATOM 742 CA SER A 52 -13.899 -2.801 0.330 1.00 0.00 C ATOM 743 C SER A 52 -13.819 -3.118 -1.160 1.00 0.00 C ATOM 744 O SER A 52 -14.041 -2.250 -2.003 1.00 0.00 O ATOM 745 CB SER A 52 -15.362 -2.724 0.768 1.00 0.00 C ATOM 746 OG SER A 52 -15.852 -4.002 1.137 1.00 0.00 O ATOM 0 H SER A 52 -13.567 -0.740 0.124 1.00 0.00 H new ATOM 0 HA SER A 52 -13.404 -3.600 0.881 1.00 0.00 H new ATOM 0 HB2 SER A 52 -15.457 -2.038 1.609 1.00 0.00 H new ATOM 0 HB3 SER A 52 -15.967 -2.319 -0.043 1.00 0.00 H new ATOM 0 HG SER A 52 -16.789 -3.926 1.414 1.00 0.00 H new ATOM 752 N VAL A 53 -13.501 -4.370 -1.476 1.00 0.00 N ATOM 753 CA VAL A 53 -13.393 -4.804 -2.863 1.00 0.00 C ATOM 754 C VAL A 53 -14.447 -5.855 -3.193 1.00 0.00 C ATOM 755 O VAL A 53 -14.343 -7.007 -2.770 1.00 0.00 O ATOM 756 CB VAL A 53 -11.997 -5.380 -3.165 1.00 0.00 C ATOM 757 CG1 VAL A 53 -11.837 -5.641 -4.656 1.00 0.00 C ATOM 758 CG2 VAL A 53 -10.911 -4.443 -2.660 1.00 0.00 C ATOM 0 H VAL A 53 -13.314 -5.101 -0.790 1.00 0.00 H new ATOM 0 HA VAL A 53 -13.555 -3.923 -3.484 1.00 0.00 H new ATOM 0 HB VAL A 53 -11.896 -6.330 -2.641 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.844 -6.048 -4.850 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -12.592 -6.356 -4.983 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.960 -4.707 -5.204 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -9.932 -4.867 -2.883 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -11.008 -3.475 -3.152 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -11.014 -4.314 -1.583 1.00 0.00 H new ATOM 768 N ALA A 54 -15.461 -5.452 -3.951 1.00 0.00 N ATOM 769 CA ALA A 54 -16.534 -6.360 -4.339 1.00 0.00 C ATOM 770 C ALA A 54 -17.287 -6.876 -3.117 1.00 0.00 C ATOM 771 O ALA A 54 -17.816 -7.986 -3.126 1.00 0.00 O ATOM 772 CB ALA A 54 -15.978 -7.522 -5.147 1.00 0.00 C ATOM 0 H ALA A 54 -15.562 -4.502 -4.309 1.00 0.00 H new ATOM 0 HA ALA A 54 -17.238 -5.805 -4.959 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -16.791 -8.191 -5.429 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -15.493 -7.141 -6.046 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -15.251 -8.068 -4.546 1.00 0.00 H new ATOM 778 N GLY A 55 -17.333 -6.061 -2.068 1.00 0.00 N ATOM 779 CA GLY A 55 -18.024 -6.454 -0.854 1.00 0.00 C ATOM 780 C GLY A 55 -17.071 -6.834 0.262 1.00 0.00 C ATOM 781 O GLY A 55 -17.384 -6.662 1.440 1.00 0.00 O ATOM 0 H GLY A 55 -16.904 -5.136 -2.037 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -18.660 -5.634 -0.520 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -18.679 -7.298 -1.070 1.00 0.00 H new ATOM 785 N VAL A 56 -15.904 -7.352 -0.108 1.00 0.00 N ATOM 786 CA VAL A 56 -14.903 -7.758 0.872 1.00 0.00 C ATOM 787 C VAL A 56 -14.171 -6.547 1.441 1.00 0.00 C ATOM 788 O VAL A 56 -13.477 -5.833 0.718 1.00 0.00 O ATOM 789 CB VAL A 56 -13.873 -8.725 0.259 1.00 0.00 C ATOM 790 CG1 VAL A 56 -13.006 -9.342 1.347 1.00 0.00 C ATOM 791 CG2 VAL A 56 -14.570 -9.806 -0.554 1.00 0.00 C ATOM 0 H VAL A 56 -15.628 -7.500 -1.079 1.00 0.00 H new ATOM 0 HA VAL A 56 -15.435 -8.270 1.674 1.00 0.00 H new ATOM 0 HB VAL A 56 -13.227 -8.159 -0.412 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.284 -10.022 0.895 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.476 -8.553 1.881 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -13.636 -9.893 2.045 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -13.825 -10.479 -0.979 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -15.243 -10.370 0.092 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -15.142 -9.344 -1.359 1.00 0.00 H new ATOM 801 N ARG A 57 -14.331 -6.323 2.742 1.00 0.00 N ATOM 802 CA ARG A 57 -13.686 -5.198 3.408 1.00 0.00 C ATOM 803 C ARG A 57 -12.317 -5.597 3.951 1.00 0.00 C ATOM 804 O ARG A 57 -12.027 -6.780 4.125 1.00 0.00 O ATOM 805 CB ARG A 57 -14.567 -4.680 4.545 1.00 0.00 C ATOM 806 CG ARG A 57 -14.065 -3.384 5.161 1.00 0.00 C ATOM 807 CD ARG A 57 -15.186 -2.624 5.852 1.00 0.00 C ATOM 808 NE ARG A 57 -16.302 -2.356 4.948 1.00 0.00 N ATOM 809 CZ ARG A 57 -17.527 -2.033 5.359 1.00 0.00 C ATOM 810 NH1 ARG A 57 -17.798 -1.940 6.655 1.00 0.00 N ATOM 811 NH2 ARG A 57 -18.484 -1.805 4.471 1.00 0.00 N ATOM 0 H ARG A 57 -14.901 -6.906 3.355 1.00 0.00 H new ATOM 0 HA ARG A 57 -13.547 -4.405 2.674 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -15.578 -4.526 4.169 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -14.629 -5.442 5.322 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -13.276 -3.604 5.880 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -13.624 -2.758 4.385 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -15.542 -3.200 6.707 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -14.800 -1.682 6.241 1.00 0.00 H new ATOM 0 HE ARG A 57 -16.133 -2.420 3.944 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -17.066 -2.116 7.343 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -18.738 -1.692 6.963 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -18.282 -1.877 3.474 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -19.422 -1.558 4.785 1.00 0.00 H new ATOM 825 N TYR A 58 -11.480 -4.599 4.218 1.00 0.00 N ATOM 826 CA TYR A 58 -10.141 -4.842 4.743 1.00 0.00 C ATOM 827 C TYR A 58 -9.717 -3.722 5.687 1.00 0.00 C ATOM 828 O TYR A 58 -9.241 -3.975 6.793 1.00 0.00 O ATOM 829 CB TYR A 58 -9.135 -4.967 3.597 1.00 0.00 C ATOM 830 CG TYR A 58 -9.334 -6.203 2.749 1.00 0.00 C ATOM 831 CD1 TYR A 58 -8.748 -7.412 3.103 1.00 0.00 C ATOM 832 CD2 TYR A 58 -10.106 -6.161 1.596 1.00 0.00 C ATOM 833 CE1 TYR A 58 -8.925 -8.544 2.331 1.00 0.00 C ATOM 834 CE2 TYR A 58 -10.289 -7.288 0.818 1.00 0.00 C ATOM 835 CZ TYR A 58 -9.696 -8.477 1.190 1.00 0.00 C ATOM 836 OH TYR A 58 -9.876 -9.603 0.418 1.00 0.00 O ATOM 0 H TYR A 58 -11.706 -3.614 4.079 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.161 -5.777 5.302 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -9.209 -4.085 2.961 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.126 -4.978 4.010 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.144 -7.468 3.997 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -10.571 -5.232 1.302 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -8.462 -9.476 2.620 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.893 -7.239 -0.076 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.215 -10.333 0.978 1.00 0.00 H new ATOM 846 N PHE A 59 -9.895 -2.482 5.242 1.00 0.00 N ATOM 847 CA PHE A 59 -9.532 -1.321 6.045 1.00 0.00 C ATOM 848 C PHE A 59 -10.545 -0.196 5.862 1.00 0.00 C ATOM 849 O PHE A 59 -11.346 -0.216 4.928 1.00 0.00 O ATOM 850 CB PHE A 59 -8.133 -0.831 5.669 1.00 0.00 C ATOM 851 CG PHE A 59 -7.949 -0.615 4.194 1.00 0.00 C ATOM 852 CD1 PHE A 59 -7.623 -1.673 3.360 1.00 0.00 C ATOM 853 CD2 PHE A 59 -8.102 0.646 3.641 1.00 0.00 C ATOM 854 CE1 PHE A 59 -7.454 -1.477 2.003 1.00 0.00 C ATOM 855 CE2 PHE A 59 -7.934 0.848 2.283 1.00 0.00 C ATOM 856 CZ PHE A 59 -7.609 -0.215 1.464 1.00 0.00 C ATOM 0 H PHE A 59 -10.289 -2.256 4.329 1.00 0.00 H new ATOM 0 HA PHE A 59 -9.534 -1.620 7.093 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.931 0.103 6.193 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -7.397 -1.556 6.016 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.500 -2.662 3.776 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -8.355 1.481 4.278 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.201 -2.310 1.364 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -8.057 1.836 1.864 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.476 -0.060 0.403 1.00 0.00 H new ATOM 866 N GLN A 60 -10.503 0.784 6.759 1.00 0.00 N ATOM 867 CA GLN A 60 -11.419 1.918 6.696 1.00 0.00 C ATOM 868 C GLN A 60 -10.733 3.138 6.090 1.00 0.00 C ATOM 869 O GLN A 60 -9.758 3.652 6.641 1.00 0.00 O ATOM 870 CB GLN A 60 -11.946 2.253 8.092 1.00 0.00 C ATOM 871 CG GLN A 60 -13.265 3.009 8.079 1.00 0.00 C ATOM 872 CD GLN A 60 -14.425 2.149 7.616 1.00 0.00 C ATOM 873 OE1 GLN A 60 -15.105 1.518 8.424 1.00 0.00 O ATOM 874 NE2 GLN A 60 -14.656 2.122 6.309 1.00 0.00 N ATOM 0 H GLN A 60 -9.845 0.816 7.538 1.00 0.00 H new ATOM 0 HA GLN A 60 -12.258 1.641 6.057 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -12.072 1.328 8.655 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -11.201 2.848 8.619 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -13.474 3.386 9.080 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -13.176 3.876 7.424 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -14.066 2.662 5.676 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -15.424 1.562 5.938 1.00 0.00 H new ATOM 883 N CYS A 61 -11.248 3.598 4.955 1.00 0.00 N ATOM 884 CA CYS A 61 -10.685 4.760 4.276 1.00 0.00 C ATOM 885 C CYS A 61 -11.785 5.601 3.635 1.00 0.00 C ATOM 886 O CYS A 61 -12.972 5.334 3.823 1.00 0.00 O ATOM 887 CB CYS A 61 -9.678 4.317 3.212 1.00 0.00 C ATOM 888 SG CYS A 61 -10.401 3.343 1.871 1.00 0.00 S ATOM 0 H CYS A 61 -12.054 3.185 4.486 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.172 5.371 5.019 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -9.201 5.201 2.788 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -8.894 3.730 3.691 1.00 0.00 H new ATOM 0 HG CYS A 61 -9.808 2.188 1.805 1.00 0.00 H new ATOM 894 N GLU A 62 -11.382 6.616 2.878 1.00 0.00 N ATOM 895 CA GLU A 62 -12.335 7.495 2.211 1.00 0.00 C ATOM 896 C GLU A 62 -12.653 6.989 0.805 1.00 0.00 C ATOM 897 O GLU A 62 -11.892 6.212 0.229 1.00 0.00 O ATOM 898 CB GLU A 62 -11.782 8.919 2.140 1.00 0.00 C ATOM 899 CG GLU A 62 -12.096 9.755 3.371 1.00 0.00 C ATOM 900 CD GLU A 62 -10.849 10.171 4.128 1.00 0.00 C ATOM 901 OE1 GLU A 62 -9.901 9.361 4.199 1.00 0.00 O ATOM 902 OE2 GLU A 62 -10.823 11.304 4.652 1.00 0.00 O ATOM 0 H GLU A 62 -10.403 6.850 2.711 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.257 7.498 2.793 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.701 8.874 2.007 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.191 9.415 1.260 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.648 10.646 3.070 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -12.747 9.187 4.035 1.00 0.00 H new ATOM 909 N PRO A 63 -13.789 7.424 0.234 1.00 0.00 N ATOM 910 CA PRO A 63 -14.207 7.010 -1.110 1.00 0.00 C ATOM 911 C PRO A 63 -13.161 7.339 -2.170 1.00 0.00 C ATOM 912 O PRO A 63 -12.567 8.418 -2.157 1.00 0.00 O ATOM 913 CB PRO A 63 -15.484 7.818 -1.359 1.00 0.00 C ATOM 914 CG PRO A 63 -15.981 8.179 -0.001 1.00 0.00 C ATOM 915 CD PRO A 63 -14.757 8.348 0.852 1.00 0.00 C ATOM 0 HA PRO A 63 -14.351 5.931 -1.171 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -15.279 8.708 -1.954 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -16.222 7.232 -1.907 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.567 9.098 -0.031 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -16.631 7.400 0.397 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.396 9.377 0.840 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -14.952 8.090 1.893 1.00 0.00 H new ATOM 923 N LEU A 64 -12.943 6.403 -3.088 1.00 0.00 N ATOM 924 CA LEU A 64 -11.972 6.593 -4.160 1.00 0.00 C ATOM 925 C LEU A 64 -10.582 6.892 -3.602 1.00 0.00 C ATOM 926 O LEU A 64 -9.759 7.518 -4.269 1.00 0.00 O ATOM 927 CB LEU A 64 -12.418 7.729 -5.082 1.00 0.00 C ATOM 928 CG LEU A 64 -13.897 7.704 -5.472 1.00 0.00 C ATOM 929 CD1 LEU A 64 -14.439 9.119 -5.600 1.00 0.00 C ATOM 930 CD2 LEU A 64 -14.090 6.937 -6.771 1.00 0.00 C ATOM 0 H LEU A 64 -13.426 5.505 -3.111 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.918 5.666 -4.731 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.203 8.679 -4.593 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.818 7.696 -5.991 1.00 0.00 H new ATOM 0 HG LEU A 64 -14.454 7.195 -4.685 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.492 9.081 -5.878 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -14.334 9.637 -4.647 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -13.880 9.655 -6.367 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -15.148 6.928 -7.035 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.522 7.419 -7.566 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.739 5.913 -6.644 1.00 0.00 H new ATOM 942 N LYS A 65 -10.326 6.442 -2.378 1.00 0.00 N ATOM 943 CA LYS A 65 -9.034 6.663 -1.738 1.00 0.00 C ATOM 944 C LYS A 65 -8.428 5.345 -1.267 1.00 0.00 C ATOM 945 O LYS A 65 -7.772 5.288 -0.228 1.00 0.00 O ATOM 946 CB LYS A 65 -9.181 7.623 -0.556 1.00 0.00 C ATOM 947 CG LYS A 65 -9.593 9.028 -0.961 1.00 0.00 C ATOM 948 CD LYS A 65 -9.004 10.073 -0.025 1.00 0.00 C ATOM 949 CE LYS A 65 -9.462 11.474 -0.395 1.00 0.00 C ATOM 950 NZ LYS A 65 -8.789 12.514 0.432 1.00 0.00 N ATOM 0 H LYS A 65 -10.995 5.923 -1.810 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.364 7.108 -2.474 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.921 7.222 0.137 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.234 7.672 -0.018 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -9.264 9.225 -1.981 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -10.680 9.105 -0.956 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.299 9.852 1.001 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.916 10.023 -0.061 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.254 11.658 -1.449 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.542 11.549 -0.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.308 13.412 0.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.775 12.211 1.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -7.813 12.646 0.097 1.00 0.00 H new ATOM 964 N GLY A 66 -8.655 4.288 -2.040 1.00 0.00 N ATOM 965 CA GLY A 66 -8.125 2.984 -1.687 1.00 0.00 C ATOM 966 C GLY A 66 -8.024 2.057 -2.882 1.00 0.00 C ATOM 967 O GLY A 66 -9.007 1.838 -3.591 1.00 0.00 O ATOM 0 H GLY A 66 -9.196 4.311 -2.904 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.138 3.105 -1.240 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.764 2.528 -0.930 1.00 0.00 H new ATOM 971 N ILE A 67 -6.835 1.510 -3.106 1.00 0.00 N ATOM 972 CA ILE A 67 -6.608 0.602 -4.222 1.00 0.00 C ATOM 973 C ILE A 67 -5.769 -0.598 -3.792 1.00 0.00 C ATOM 974 O ILE A 67 -5.049 -0.538 -2.796 1.00 0.00 O ATOM 975 CB ILE A 67 -5.908 1.318 -5.396 1.00 0.00 C ATOM 976 CG1 ILE A 67 -5.759 0.371 -6.590 1.00 0.00 C ATOM 977 CG2 ILE A 67 -4.550 1.853 -4.963 1.00 0.00 C ATOM 978 CD1 ILE A 67 -5.520 1.085 -7.902 1.00 0.00 C ATOM 0 H ILE A 67 -6.012 1.680 -2.528 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.586 0.254 -4.553 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.526 2.162 -5.702 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.930 -0.311 -6.401 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -6.660 -0.237 -6.676 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.071 2.355 -5.804 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -4.682 2.562 -4.145 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.923 1.026 -4.629 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.424 0.352 -8.703 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.360 1.747 -8.114 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.604 1.671 -7.835 1.00 0.00 H new ATOM 990 N PHE A 68 -5.868 -1.686 -4.550 1.00 0.00 N ATOM 991 CA PHE A 68 -5.118 -2.900 -4.246 1.00 0.00 C ATOM 992 C PHE A 68 -4.206 -3.281 -5.407 1.00 0.00 C ATOM 993 O PHE A 68 -4.670 -3.513 -6.524 1.00 0.00 O ATOM 994 CB PHE A 68 -6.075 -4.051 -3.934 1.00 0.00 C ATOM 995 CG PHE A 68 -6.946 -3.801 -2.736 1.00 0.00 C ATOM 996 CD1 PHE A 68 -7.897 -2.794 -2.753 1.00 0.00 C ATOM 997 CD2 PHE A 68 -6.812 -4.573 -1.593 1.00 0.00 C ATOM 998 CE1 PHE A 68 -8.701 -2.561 -1.651 1.00 0.00 C ATOM 999 CE2 PHE A 68 -7.612 -4.345 -0.489 1.00 0.00 C ATOM 1000 CZ PHE A 68 -8.557 -3.338 -0.518 1.00 0.00 C ATOM 0 H PHE A 68 -6.460 -1.752 -5.378 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.499 -2.705 -3.371 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -6.709 -4.231 -4.802 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.496 -4.959 -3.768 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -8.012 -2.184 -3.636 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.074 -5.361 -1.564 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -9.439 -1.773 -1.677 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.498 -4.954 0.396 1.00 0.00 H new ATOM 0 HZ PHE A 68 -9.182 -3.158 0.344 1.00 0.00 H new ATOM 1010 N THR A 69 -2.907 -3.344 -5.135 1.00 0.00 N ATOM 1011 CA THR A 69 -1.928 -3.698 -6.157 1.00 0.00 C ATOM 1012 C THR A 69 -0.708 -4.365 -5.531 1.00 0.00 C ATOM 1013 O THR A 69 -0.470 -4.245 -4.329 1.00 0.00 O ATOM 1014 CB THR A 69 -1.499 -2.454 -6.936 1.00 0.00 C ATOM 1015 OG1 THR A 69 -0.373 -2.733 -7.749 1.00 0.00 O ATOM 1016 CG2 THR A 69 -1.143 -1.283 -6.046 1.00 0.00 C ATOM 0 H THR A 69 -2.507 -3.155 -4.216 1.00 0.00 H new ATOM 0 HA THR A 69 -2.395 -4.404 -6.844 1.00 0.00 H new ATOM 0 HB THR A 69 -2.364 -2.181 -7.540 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.116 -1.925 -8.240 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.848 -0.434 -6.663 1.00 0.00 H new ATOM 0 HG22 THR A 69 -2.008 -1.009 -5.442 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.317 -1.561 -5.392 1.00 0.00 H new ATOM 1024 N ARG A 70 0.063 -5.071 -6.353 1.00 0.00 N ATOM 1025 CA ARG A 70 1.258 -5.758 -5.879 1.00 0.00 C ATOM 1026 C ARG A 70 2.334 -4.755 -5.462 1.00 0.00 C ATOM 1027 O ARG A 70 2.522 -3.730 -6.117 1.00 0.00 O ATOM 1028 CB ARG A 70 1.803 -6.685 -6.967 1.00 0.00 C ATOM 1029 CG ARG A 70 0.902 -7.872 -7.261 1.00 0.00 C ATOM 1030 CD ARG A 70 1.692 -9.048 -7.814 1.00 0.00 C ATOM 1031 NE ARG A 70 1.658 -9.092 -9.274 1.00 0.00 N ATOM 1032 CZ ARG A 70 1.969 -10.171 -9.990 1.00 0.00 C ATOM 1033 NH1 ARG A 70 2.336 -11.294 -9.386 1.00 0.00 N ATOM 1034 NH2 ARG A 70 1.911 -10.126 -11.314 1.00 0.00 N ATOM 0 H ARG A 70 -0.119 -5.182 -7.350 1.00 0.00 H new ATOM 0 HA ARG A 70 0.984 -6.353 -5.008 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.946 -6.112 -7.883 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.784 -7.050 -6.664 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.388 -8.175 -6.349 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.134 -7.579 -7.977 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.726 -8.980 -7.477 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.287 -9.977 -7.414 1.00 0.00 H new ATOM 0 HE ARG A 70 1.380 -8.247 -9.774 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.381 -11.334 -8.368 1.00 0.00 H new ATOM 0 HH12 ARG A 70 2.573 -12.117 -9.940 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.628 -9.266 -11.783 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.149 -10.952 -11.863 1.00 0.00 H new ATOM 1048 N PRO A 71 3.058 -5.038 -4.364 1.00 0.00 N ATOM 1049 CA PRO A 71 4.117 -4.152 -3.871 1.00 0.00 C ATOM 1050 C PRO A 71 5.168 -3.863 -4.937 1.00 0.00 C ATOM 1051 O PRO A 71 5.648 -2.736 -5.063 1.00 0.00 O ATOM 1052 CB PRO A 71 4.739 -4.939 -2.713 1.00 0.00 C ATOM 1053 CG PRO A 71 3.680 -5.892 -2.282 1.00 0.00 C ATOM 1054 CD PRO A 71 2.905 -6.239 -3.521 1.00 0.00 C ATOM 0 HA PRO A 71 3.726 -3.178 -3.578 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.638 -5.466 -3.032 1.00 0.00 H new ATOM 0 HB3 PRO A 71 5.030 -4.277 -1.897 1.00 0.00 H new ATOM 0 HG2 PRO A 71 4.117 -6.784 -1.833 1.00 0.00 H new ATOM 0 HG3 PRO A 71 3.032 -5.441 -1.530 1.00 0.00 H new ATOM 0 HD2 PRO A 71 3.305 -7.127 -4.010 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.858 -6.442 -3.297 1.00 0.00 H new ATOM 1062 N SER A 72 5.521 -4.891 -5.703 1.00 0.00 N ATOM 1063 CA SER A 72 6.516 -4.751 -6.762 1.00 0.00 C ATOM 1064 C SER A 72 6.103 -3.681 -7.770 1.00 0.00 C ATOM 1065 O SER A 72 6.942 -3.138 -8.488 1.00 0.00 O ATOM 1066 CB SER A 72 6.721 -6.088 -7.475 1.00 0.00 C ATOM 1067 OG SER A 72 7.766 -6.833 -6.874 1.00 0.00 O ATOM 0 H SER A 72 5.133 -5.830 -5.610 1.00 0.00 H new ATOM 0 HA SER A 72 7.454 -4.442 -6.302 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.796 -6.664 -7.446 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.954 -5.911 -8.525 1.00 0.00 H new ATOM 0 HG SER A 72 7.875 -7.684 -7.348 1.00 0.00 H new ATOM 1073 N LYS A 73 4.808 -3.382 -7.820 1.00 0.00 N ATOM 1074 CA LYS A 73 4.291 -2.377 -8.743 1.00 0.00 C ATOM 1075 C LYS A 73 4.161 -1.019 -8.059 1.00 0.00 C ATOM 1076 O LYS A 73 3.295 -0.218 -8.411 1.00 0.00 O ATOM 1077 CB LYS A 73 2.933 -2.814 -9.296 1.00 0.00 C ATOM 1078 CG LYS A 73 2.958 -4.182 -9.960 1.00 0.00 C ATOM 1079 CD LYS A 73 2.485 -4.113 -11.404 1.00 0.00 C ATOM 1080 CE LYS A 73 0.975 -4.260 -11.503 1.00 0.00 C ATOM 1081 NZ LYS A 73 0.466 -3.871 -12.846 1.00 0.00 N ATOM 0 H LYS A 73 4.098 -3.821 -7.233 1.00 0.00 H new ATOM 0 HA LYS A 73 4.999 -2.280 -9.566 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.206 -2.827 -8.484 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.590 -2.074 -10.019 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.970 -4.584 -9.927 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.323 -4.870 -9.401 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.789 -3.162 -11.842 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.967 -4.900 -11.984 1.00 0.00 H new ATOM 0 HE2 LYS A 73 0.696 -5.293 -11.295 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.499 -3.642 -10.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -0.567 -3.986 -12.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.709 -2.878 -13.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.900 -4.478 -13.571 1.00 0.00 H new ATOM 1095 N LEU A 74 5.025 -0.766 -7.081 1.00 0.00 N ATOM 1096 CA LEU A 74 5.005 0.497 -6.351 1.00 0.00 C ATOM 1097 C LEU A 74 6.385 1.147 -6.354 1.00 0.00 C ATOM 1098 O LEU A 74 7.401 0.469 -6.513 1.00 0.00 O ATOM 1099 CB LEU A 74 4.538 0.271 -4.912 1.00 0.00 C ATOM 1100 CG LEU A 74 3.135 -0.323 -4.773 1.00 0.00 C ATOM 1101 CD1 LEU A 74 2.919 -0.855 -3.365 1.00 0.00 C ATOM 1102 CD2 LEU A 74 2.080 0.715 -5.121 1.00 0.00 C ATOM 0 H LEU A 74 5.747 -1.418 -6.776 1.00 0.00 H new ATOM 0 HA LEU A 74 4.306 1.167 -6.851 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.247 -0.391 -4.416 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.567 1.223 -4.383 1.00 0.00 H new ATOM 0 HG LEU A 74 3.042 -1.154 -5.472 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.916 -1.274 -3.284 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.654 -1.631 -3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.032 -0.042 -2.648 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.088 0.275 -5.017 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.172 1.567 -4.447 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.223 1.048 -6.149 1.00 0.00 H new ATOM 1114 N THR A 75 6.415 2.464 -6.179 1.00 0.00 N ATOM 1115 CA THR A 75 7.672 3.204 -6.163 1.00 0.00 C ATOM 1116 C THR A 75 7.835 3.972 -4.854 1.00 0.00 C ATOM 1117 O THR A 75 6.878 4.141 -4.099 1.00 0.00 O ATOM 1118 CB THR A 75 7.732 4.172 -7.345 1.00 0.00 C ATOM 1119 OG1 THR A 75 6.442 4.665 -7.657 1.00 0.00 O ATOM 1120 CG2 THR A 75 8.301 3.548 -8.602 1.00 0.00 C ATOM 0 H THR A 75 5.584 3.041 -6.046 1.00 0.00 H new ATOM 0 HA THR A 75 8.488 2.487 -6.247 1.00 0.00 H new ATOM 0 HB THR A 75 8.395 4.976 -7.025 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.055 4.132 -8.382 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.315 4.289 -9.402 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.317 3.203 -8.409 1.00 0.00 H new ATOM 0 HG23 THR A 75 7.681 2.703 -8.901 1.00 0.00 H new ATOM 1128 N ARG A 76 9.054 4.435 -4.595 1.00 0.00 N ATOM 1129 CA ARG A 76 9.343 5.185 -3.377 1.00 0.00 C ATOM 1130 C ARG A 76 9.513 6.670 -3.683 1.00 0.00 C ATOM 1131 O ARG A 76 10.609 7.126 -4.011 1.00 0.00 O ATOM 1132 CB ARG A 76 10.607 4.641 -2.708 1.00 0.00 C ATOM 1133 CG ARG A 76 10.323 3.682 -1.562 1.00 0.00 C ATOM 1134 CD ARG A 76 11.444 3.697 -0.535 1.00 0.00 C ATOM 1135 NE ARG A 76 12.720 3.283 -1.110 1.00 0.00 N ATOM 1136 CZ ARG A 76 13.779 2.924 -0.387 1.00 0.00 C ATOM 1137 NH1 ARG A 76 13.718 2.926 0.939 1.00 0.00 N ATOM 1138 NH2 ARG A 76 14.902 2.562 -0.991 1.00 0.00 N ATOM 0 H ARG A 76 9.856 4.304 -5.211 1.00 0.00 H new ATOM 0 HA ARG A 76 8.500 5.067 -2.696 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.214 4.131 -3.456 1.00 0.00 H new ATOM 0 HB3 ARG A 76 11.199 5.476 -2.334 1.00 0.00 H new ATOM 0 HG2 ARG A 76 9.384 3.955 -1.081 1.00 0.00 H new ATOM 0 HG3 ARG A 76 10.199 2.672 -1.953 1.00 0.00 H new ATOM 0 HD2 ARG A 76 11.542 4.700 -0.120 1.00 0.00 H new ATOM 0 HD3 ARG A 76 11.187 3.034 0.291 1.00 0.00 H new ATOM 0 HE ARG A 76 12.806 3.268 -2.126 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.857 3.204 1.409 1.00 0.00 H new ATOM 0 HH12 ARG A 76 14.533 2.650 1.487 1.00 0.00 H new ATOM 0 HH21 ARG A 76 14.955 2.558 -2.010 1.00 0.00 H new ATOM 0 HH22 ARG A 76 15.713 2.287 -0.437 1.00 0.00 H new ATOM 1152 N LYS A 77 8.421 7.421 -3.574 1.00 0.00 N ATOM 1153 CA LYS A 77 8.450 8.855 -3.837 1.00 0.00 C ATOM 1154 C LYS A 77 8.891 9.135 -5.270 1.00 0.00 C ATOM 1155 O LYS A 77 9.111 8.212 -6.055 1.00 0.00 O ATOM 1156 CB LYS A 77 9.388 9.557 -2.853 1.00 0.00 C ATOM 1157 CG LYS A 77 8.671 10.166 -1.659 1.00 0.00 C ATOM 1158 CD LYS A 77 8.609 9.194 -0.492 1.00 0.00 C ATOM 1159 CE LYS A 77 8.433 9.922 0.831 1.00 0.00 C ATOM 1160 NZ LYS A 77 8.293 8.976 1.971 1.00 0.00 N ATOM 0 H LYS A 77 7.506 7.060 -3.305 1.00 0.00 H new ATOM 0 HA LYS A 77 7.441 9.245 -3.704 1.00 0.00 H new ATOM 0 HB2 LYS A 77 10.128 8.841 -2.496 1.00 0.00 H new ATOM 0 HB3 LYS A 77 9.932 10.342 -3.379 1.00 0.00 H new ATOM 0 HG2 LYS A 77 9.185 11.076 -1.349 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.660 10.454 -1.948 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.782 8.500 -0.639 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.523 8.600 -0.463 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.289 10.574 1.003 1.00 0.00 H new ATOM 0 HE3 LYS A 77 7.551 10.561 0.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.595 9.347 2.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.975 8.051 1.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.211 8.868 2.447 1.00 0.00 H new