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 Single : A 17 ASN : amide:sc= -0.129 X(o=-0.13,f=-0.003) USER MOD Single : A 19 ASN : amide:sc= -1.25 K(o=-1.3,f=-7.8!) USER MOD Single : A 20 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0338) USER MOD Single : A 25 GLN : amide:sc= -0.139 X(o=-0.14,f=0) USER MOD Single : A 30 THR OG1 : rot 170:sc= 1.17 USER MOD Single : A 31 GLN : amide:sc= -0.316 X(o=-0.32,f=-0.088) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -0.198 X(o=-0.2,f=-0.39) USER MOD Single : A 52 SER OG : rot 30:sc= 0.00973 USER MOD Single : A 58 TYR OH : rot -106:sc= 0.0576 USER MOD Single : A 60 GLN : amide:sc= -0.498 K(o=-0.5,f=-9.9!) USER MOD Single : A 61 CYS SG : rot 178:sc= -1.16 USER MOD Single : A 65 LYS NZ :NH3+ 177:sc= 1.17 (180deg=1.03) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.103) USER MOD Single : A 75 THR OG1 : rot 53:sc= -0.26 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N PHE A 8 8.580 -2.388 1.736 1.00 0.00 N ATOM 69 CA PHE A 8 7.391 -1.676 2.192 1.00 0.00 C ATOM 70 C PHE A 8 6.705 -2.433 3.324 1.00 0.00 C ATOM 71 O PHE A 8 6.760 -3.660 3.387 1.00 0.00 O ATOM 72 CB PHE A 8 6.415 -1.475 1.032 1.00 0.00 C ATOM 73 CG PHE A 8 7.070 -0.975 -0.224 1.00 0.00 C ATOM 74 CD1 PHE A 8 7.844 0.174 -0.207 1.00 0.00 C ATOM 75 CD2 PHE A 8 6.911 -1.654 -1.421 1.00 0.00 C ATOM 76 CE1 PHE A 8 8.448 0.636 -1.360 1.00 0.00 C ATOM 77 CE2 PHE A 8 7.512 -1.196 -2.579 1.00 0.00 C ATOM 78 CZ PHE A 8 8.282 -0.050 -2.548 1.00 0.00 C ATOM 0 HA PHE A 8 7.703 -0.701 2.568 1.00 0.00 H new ATOM 0 HB2 PHE A 8 5.916 -2.420 0.820 1.00 0.00 H new ATOM 0 HB3 PHE A 8 5.643 -0.768 1.336 1.00 0.00 H new ATOM 0 HD1 PHE A 8 7.977 0.715 0.718 1.00 0.00 H new ATOM 0 HD2 PHE A 8 6.311 -2.551 -1.450 1.00 0.00 H new ATOM 0 HE1 PHE A 8 9.049 1.533 -1.333 1.00 0.00 H new ATOM 0 HE2 PHE A 8 7.379 -1.734 -3.506 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.754 0.309 -3.451 1.00 0.00 H new ATOM 88 N ARG A 9 6.057 -1.690 4.217 1.00 0.00 N ATOM 89 CA ARG A 9 5.359 -2.291 5.347 1.00 0.00 C ATOM 90 C ARG A 9 4.071 -1.534 5.655 1.00 0.00 C ATOM 91 O ARG A 9 3.748 -0.546 4.997 1.00 0.00 O ATOM 92 CB ARG A 9 6.262 -2.307 6.582 1.00 0.00 C ATOM 93 CG ARG A 9 7.312 -3.406 6.555 1.00 0.00 C ATOM 94 CD ARG A 9 6.852 -4.634 7.324 1.00 0.00 C ATOM 95 NE ARG A 9 6.498 -4.313 8.705 1.00 0.00 N ATOM 96 CZ ARG A 9 5.751 -5.097 9.480 1.00 0.00 C ATOM 97 NH1 ARG A 9 5.277 -6.246 9.013 1.00 0.00 N ATOM 98 NH2 ARG A 9 5.476 -4.730 10.724 1.00 0.00 N ATOM 0 H ARG A 9 6.001 -0.672 4.179 1.00 0.00 H new ATOM 0 HA ARG A 9 5.103 -3.316 5.080 1.00 0.00 H new ATOM 0 HB2 ARG A 9 6.761 -1.342 6.669 1.00 0.00 H new ATOM 0 HB3 ARG A 9 5.644 -2.428 7.472 1.00 0.00 H new ATOM 0 HG2 ARG A 9 7.526 -3.681 5.522 1.00 0.00 H new ATOM 0 HG3 ARG A 9 8.242 -3.033 6.985 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.991 -5.075 6.822 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.643 -5.384 7.317 1.00 0.00 H new ATOM 0 HE ARG A 9 6.843 -3.437 9.098 1.00 0.00 H new ATOM 0 HH11 ARG A 9 5.485 -6.532 8.056 1.00 0.00 H new ATOM 0 HH12 ARG A 9 4.705 -6.843 9.611 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.837 -3.848 11.087 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.904 -5.330 11.318 1.00 0.00 H new ATOM 112 N VAL A 10 3.339 -2.006 6.659 1.00 0.00 N ATOM 113 CA VAL A 10 2.087 -1.375 7.054 1.00 0.00 C ATOM 114 C VAL A 10 2.329 0.019 7.621 1.00 0.00 C ATOM 115 O VAL A 10 3.265 0.232 8.392 1.00 0.00 O ATOM 116 CB VAL A 10 1.337 -2.221 8.102 1.00 0.00 C ATOM 117 CG1 VAL A 10 -0.036 -1.629 8.385 1.00 0.00 C ATOM 118 CG2 VAL A 10 1.217 -3.665 7.639 1.00 0.00 C ATOM 0 H VAL A 10 3.592 -2.824 7.213 1.00 0.00 H new ATOM 0 HA VAL A 10 1.475 -1.297 6.155 1.00 0.00 H new ATOM 0 HB VAL A 10 1.911 -2.208 9.028 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.550 -2.240 9.127 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.077 -0.614 8.766 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.620 -1.608 7.465 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.685 -4.246 8.392 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.668 -3.701 6.698 1.00 0.00 H new ATOM 0 HG23 VAL A 10 2.213 -4.085 7.494 1.00 0.00 H new ATOM 128 N GLY A 11 1.481 0.966 7.232 1.00 0.00 N ATOM 129 CA GLY A 11 1.622 2.329 7.712 1.00 0.00 C ATOM 130 C GLY A 11 2.758 3.069 7.034 1.00 0.00 C ATOM 131 O GLY A 11 3.343 3.985 7.612 1.00 0.00 O ATOM 0 H GLY A 11 0.700 0.814 6.594 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.690 2.868 7.544 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.793 2.316 8.788 1.00 0.00 H new ATOM 135 N GLU A 12 3.070 2.672 5.805 1.00 0.00 N ATOM 136 CA GLU A 12 4.144 3.304 5.046 1.00 0.00 C ATOM 137 C GLU A 12 3.605 3.945 3.773 1.00 0.00 C ATOM 138 O GLU A 12 2.688 3.419 3.141 1.00 0.00 O ATOM 139 CB GLU A 12 5.223 2.277 4.696 1.00 0.00 C ATOM 140 CG GLU A 12 5.905 1.672 5.912 1.00 0.00 C ATOM 141 CD GLU A 12 7.417 1.690 5.804 1.00 0.00 C ATOM 142 OE1 GLU A 12 7.935 1.463 4.691 1.00 0.00 O ATOM 143 OE2 GLU A 12 8.083 1.931 6.833 1.00 0.00 O ATOM 0 H GLU A 12 2.595 1.916 5.313 1.00 0.00 H new ATOM 0 HA GLU A 12 4.583 4.085 5.667 1.00 0.00 H new ATOM 0 HB2 GLU A 12 4.774 1.478 4.106 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.975 2.753 4.067 1.00 0.00 H new ATOM 0 HG2 GLU A 12 5.602 2.221 6.804 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.566 0.644 6.040 1.00 0.00 H new ATOM 150 N ARG A 13 4.179 5.085 3.400 1.00 0.00 N ATOM 151 CA ARG A 13 3.755 5.796 2.200 1.00 0.00 C ATOM 152 C ARG A 13 4.411 5.207 0.956 1.00 0.00 C ATOM 153 O ARG A 13 5.564 4.777 0.995 1.00 0.00 O ATOM 154 CB ARG A 13 4.096 7.284 2.317 1.00 0.00 C ATOM 155 CG ARG A 13 3.378 8.153 1.296 1.00 0.00 C ATOM 156 CD ARG A 13 2.941 9.478 1.900 1.00 0.00 C ATOM 157 NE ARG A 13 3.815 10.579 1.497 1.00 0.00 N ATOM 158 CZ ARG A 13 3.880 11.746 2.135 1.00 0.00 C ATOM 159 NH1 ARG A 13 3.125 11.969 3.202 1.00 0.00 N ATOM 160 NH2 ARG A 13 4.702 12.692 1.702 1.00 0.00 N ATOM 0 H ARG A 13 4.938 5.535 3.911 1.00 0.00 H new ATOM 0 HA ARG A 13 2.675 5.684 2.104 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.842 7.629 3.319 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.172 7.412 2.199 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.037 8.338 0.447 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.507 7.622 0.913 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.918 9.696 1.593 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.937 9.397 2.987 1.00 0.00 H new ATOM 0 HE ARG A 13 4.410 10.445 0.679 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.490 11.245 3.538 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.179 12.865 3.687 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.284 12.525 0.881 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.753 13.586 2.190 1.00 0.00 H new ATOM 174 N VAL A 14 3.669 5.191 -0.145 1.00 0.00 N ATOM 175 CA VAL A 14 4.177 4.654 -1.402 1.00 0.00 C ATOM 176 C VAL A 14 3.708 5.493 -2.586 1.00 0.00 C ATOM 177 O VAL A 14 2.992 6.479 -2.414 1.00 0.00 O ATOM 178 CB VAL A 14 3.732 3.196 -1.612 1.00 0.00 C ATOM 179 CG1 VAL A 14 4.490 2.264 -0.678 1.00 0.00 C ATOM 180 CG2 VAL A 14 2.230 3.061 -1.407 1.00 0.00 C ATOM 0 H VAL A 14 2.713 5.544 -0.193 1.00 0.00 H new ATOM 0 HA VAL A 14 5.265 4.687 -1.343 1.00 0.00 H new ATOM 0 HB VAL A 14 3.963 2.910 -2.638 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.161 1.238 -0.842 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.559 2.339 -0.878 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.294 2.547 0.356 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.934 2.023 -1.560 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.972 3.367 -0.393 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.707 3.696 -2.121 1.00 0.00 H new ATOM 190 N TRP A 15 4.116 5.095 -3.786 1.00 0.00 N ATOM 191 CA TRP A 15 3.736 5.812 -4.998 1.00 0.00 C ATOM 192 C TRP A 15 3.336 4.839 -6.103 1.00 0.00 C ATOM 193 O TRP A 15 4.192 4.262 -6.775 1.00 0.00 O ATOM 194 CB TRP A 15 4.888 6.702 -5.472 1.00 0.00 C ATOM 195 CG TRP A 15 4.606 8.165 -5.324 1.00 0.00 C ATOM 196 CD1 TRP A 15 4.237 9.034 -6.311 1.00 0.00 C ATOM 197 CD2 TRP A 15 4.672 8.934 -4.116 1.00 0.00 C ATOM 198 NE1 TRP A 15 4.070 10.295 -5.792 1.00 0.00 N ATOM 199 CE2 TRP A 15 4.330 10.260 -4.447 1.00 0.00 C ATOM 200 CE3 TRP A 15 4.986 8.631 -2.789 1.00 0.00 C ATOM 201 CZ2 TRP A 15 4.295 11.277 -3.497 1.00 0.00 C ATOM 202 CZ3 TRP A 15 4.950 9.641 -1.847 1.00 0.00 C ATOM 203 CH2 TRP A 15 4.605 10.951 -2.205 1.00 0.00 C ATOM 0 H TRP A 15 4.709 4.281 -3.946 1.00 0.00 H new ATOM 0 HA TRP A 15 2.876 6.440 -4.766 1.00 0.00 H new ATOM 0 HB2 TRP A 15 5.786 6.453 -4.907 1.00 0.00 H new ATOM 0 HB3 TRP A 15 5.099 6.484 -6.519 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.097 8.768 -7.348 1.00 0.00 H new ATOM 0 HE1 TRP A 15 3.797 11.123 -6.322 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.252 7.624 -2.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 4.032 12.288 -3.770 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.192 9.417 -0.818 1.00 0.00 H new ATOM 0 HH2 TRP A 15 4.583 11.719 -1.446 1.00 0.00 H new ATOM 214 N VAL A 16 2.032 4.660 -6.284 1.00 0.00 N ATOM 215 CA VAL A 16 1.520 3.758 -7.308 1.00 0.00 C ATOM 216 C VAL A 16 1.681 4.359 -8.700 1.00 0.00 C ATOM 217 O VAL A 16 1.478 5.556 -8.898 1.00 0.00 O ATOM 218 CB VAL A 16 0.034 3.428 -7.073 1.00 0.00 C ATOM 219 CG1 VAL A 16 -0.429 2.335 -8.026 1.00 0.00 C ATOM 220 CG2 VAL A 16 -0.198 3.017 -5.626 1.00 0.00 C ATOM 0 H VAL A 16 1.311 5.128 -5.735 1.00 0.00 H new ATOM 0 HA VAL A 16 2.104 2.840 -7.242 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.554 4.324 -7.272 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.481 2.116 -7.845 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.300 2.671 -9.055 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.163 1.434 -7.862 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.253 2.787 -5.478 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.401 2.135 -5.398 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.092 3.834 -4.965 1.00 0.00 H new ATOM 230 N ASN A 17 2.051 3.520 -9.663 1.00 0.00 N ATOM 231 CA ASN A 17 2.243 3.969 -11.037 1.00 0.00 C ATOM 232 C ASN A 17 3.241 5.122 -11.107 1.00 0.00 C ATOM 233 O ASN A 17 3.233 5.905 -12.057 1.00 0.00 O ATOM 234 CB ASN A 17 0.906 4.401 -11.644 1.00 0.00 C ATOM 235 CG ASN A 17 0.093 3.225 -12.147 1.00 0.00 C ATOM 236 OD1 ASN A 17 -1.044 3.015 -11.724 1.00 0.00 O ATOM 237 ND2 ASN A 17 0.673 2.451 -13.057 1.00 0.00 N ATOM 0 H ASN A 17 2.224 2.525 -9.517 1.00 0.00 H new ATOM 0 HA ASN A 17 2.646 3.133 -11.609 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.329 4.945 -10.896 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.090 5.091 -12.468 1.00 0.00 H new ATOM 0 HD21 ASN A 17 0.174 1.645 -13.434 1.00 0.00 H new ATOM 0 HD22 ASN A 17 1.617 2.662 -13.379 1.00 0.00 H new ATOM 244 N GLY A 18 4.102 5.221 -10.097 1.00 0.00 N ATOM 245 CA GLY A 18 5.095 6.280 -10.067 1.00 0.00 C ATOM 246 C GLY A 18 4.480 7.662 -10.188 1.00 0.00 C ATOM 247 O GLY A 18 5.090 8.570 -10.754 1.00 0.00 O ATOM 0 H GLY A 18 4.129 4.586 -9.299 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.659 6.218 -9.136 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.805 6.130 -10.880 1.00 0.00 H new ATOM 251 N ASN A 19 3.272 7.824 -9.657 1.00 0.00 N ATOM 252 CA ASN A 19 2.581 9.107 -9.711 1.00 0.00 C ATOM 253 C ASN A 19 1.244 9.044 -8.977 1.00 0.00 C ATOM 254 O ASN A 19 0.252 9.618 -9.424 1.00 0.00 O ATOM 255 CB ASN A 19 2.357 9.528 -11.166 1.00 0.00 C ATOM 256 CG ASN A 19 1.575 8.495 -11.953 1.00 0.00 C ATOM 257 OD1 ASN A 19 1.288 7.405 -11.456 1.00 0.00 O ATOM 258 ND2 ASN A 19 1.225 8.833 -13.189 1.00 0.00 N ATOM 0 H ASN A 19 2.752 7.084 -9.185 1.00 0.00 H new ATOM 0 HA ASN A 19 3.209 9.847 -9.216 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.823 10.478 -11.188 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.322 9.693 -11.646 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.697 8.179 -13.767 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.484 9.747 -13.560 1.00 0.00 H new ATOM 265 N LYS A 20 1.226 8.345 -7.846 1.00 0.00 N ATOM 266 CA LYS A 20 0.011 8.211 -7.050 1.00 0.00 C ATOM 267 C LYS A 20 0.344 7.878 -5.597 1.00 0.00 C ATOM 268 O LYS A 20 0.488 6.709 -5.239 1.00 0.00 O ATOM 269 CB LYS A 20 -0.894 7.126 -7.637 1.00 0.00 C ATOM 270 CG LYS A 20 -1.527 7.513 -8.964 1.00 0.00 C ATOM 271 CD LYS A 20 -2.867 6.823 -9.163 1.00 0.00 C ATOM 272 CE LYS A 20 -3.159 6.586 -10.636 1.00 0.00 C ATOM 273 NZ LYS A 20 -3.170 7.857 -11.412 1.00 0.00 N ATOM 0 H LYS A 20 2.038 7.863 -7.461 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.514 9.166 -7.075 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.312 6.214 -7.774 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.683 6.896 -6.921 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.664 8.594 -9.002 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.855 7.248 -9.780 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.869 5.871 -8.633 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.659 7.432 -8.727 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.408 5.914 -11.051 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.124 6.089 -10.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.504 7.670 -12.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.806 8.539 -10.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.208 8.250 -11.448 1.00 0.00 H new ATOM 287 N PRO A 21 0.470 8.904 -4.737 1.00 0.00 N ATOM 288 CA PRO A 21 0.786 8.709 -3.318 1.00 0.00 C ATOM 289 C PRO A 21 -0.356 8.046 -2.556 1.00 0.00 C ATOM 290 O PRO A 21 -1.527 8.233 -2.888 1.00 0.00 O ATOM 291 CB PRO A 21 1.018 10.132 -2.804 1.00 0.00 C ATOM 292 CG PRO A 21 0.249 11.003 -3.735 1.00 0.00 C ATOM 293 CD PRO A 21 0.314 10.331 -5.078 1.00 0.00 C ATOM 0 HA PRO A 21 1.642 8.048 -3.179 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.668 10.244 -1.778 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.078 10.386 -2.809 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.783 11.113 -3.403 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.679 12.004 -3.778 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.590 10.509 -5.661 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.152 10.697 -5.671 1.00 0.00 H new ATOM 301 N GLY A 22 -0.007 7.270 -1.536 1.00 0.00 N ATOM 302 CA GLY A 22 -1.014 6.590 -0.742 1.00 0.00 C ATOM 303 C GLY A 22 -0.415 5.811 0.411 1.00 0.00 C ATOM 304 O GLY A 22 0.675 5.251 0.292 1.00 0.00 O ATOM 0 H GLY A 22 0.955 7.099 -1.244 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.721 7.323 -0.353 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.578 5.911 -1.381 1.00 0.00 H new ATOM 308 N PHE A 23 -1.127 5.774 1.533 1.00 0.00 N ATOM 309 CA PHE A 23 -0.659 5.058 2.713 1.00 0.00 C ATOM 310 C PHE A 23 -1.136 3.610 2.698 1.00 0.00 C ATOM 311 O PHE A 23 -2.319 3.338 2.494 1.00 0.00 O ATOM 312 CB PHE A 23 -1.147 5.755 3.984 1.00 0.00 C ATOM 313 CG PHE A 23 -0.484 7.079 4.237 1.00 0.00 C ATOM 314 CD1 PHE A 23 -0.906 8.218 3.573 1.00 0.00 C ATOM 315 CD2 PHE A 23 0.563 7.183 5.140 1.00 0.00 C ATOM 316 CE1 PHE A 23 -0.297 9.437 3.803 1.00 0.00 C ATOM 317 CE2 PHE A 23 1.176 8.399 5.375 1.00 0.00 C ATOM 318 CZ PHE A 23 0.745 9.528 4.706 1.00 0.00 C ATOM 0 H PHE A 23 -2.031 6.232 1.649 1.00 0.00 H new ATOM 0 HA PHE A 23 0.431 5.061 2.700 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.224 5.905 3.915 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.970 5.101 4.838 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -1.721 8.153 2.867 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.903 6.303 5.666 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -0.635 10.318 3.277 1.00 0.00 H new ATOM 0 HE2 PHE A 23 1.991 8.466 6.081 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.221 10.480 4.888 1.00 0.00 H new ATOM 328 N ILE A 24 -0.208 2.684 2.914 1.00 0.00 N ATOM 329 CA ILE A 24 -0.534 1.263 2.925 1.00 0.00 C ATOM 330 C ILE A 24 -1.132 0.848 4.265 1.00 0.00 C ATOM 331 O ILE A 24 -0.637 1.235 5.323 1.00 0.00 O ATOM 332 CB ILE A 24 0.709 0.398 2.641 1.00 0.00 C ATOM 333 CG1 ILE A 24 1.449 0.919 1.407 1.00 0.00 C ATOM 334 CG2 ILE A 24 0.308 -1.058 2.451 1.00 0.00 C ATOM 335 CD1 ILE A 24 2.736 0.179 1.118 1.00 0.00 C ATOM 0 H ILE A 24 0.776 2.892 3.084 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.268 1.101 2.135 1.00 0.00 H new ATOM 0 HB ILE A 24 1.381 0.461 3.497 1.00 0.00 H new ATOM 0 HG12 ILE A 24 0.793 0.842 0.540 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.671 1.977 1.546 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.196 -1.657 2.251 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.179 -1.422 3.355 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.381 -1.139 1.610 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.207 0.601 0.230 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.411 0.277 1.968 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.519 -0.875 0.947 1.00 0.00 H new ATOM 347 N GLN A 25 -2.198 0.057 4.212 1.00 0.00 N ATOM 348 CA GLN A 25 -2.865 -0.411 5.422 1.00 0.00 C ATOM 349 C GLN A 25 -2.850 -1.935 5.496 1.00 0.00 C ATOM 350 O GLN A 25 -2.461 -2.512 6.511 1.00 0.00 O ATOM 351 CB GLN A 25 -4.306 0.099 5.465 1.00 0.00 C ATOM 352 CG GLN A 25 -4.416 1.615 5.465 1.00 0.00 C ATOM 353 CD GLN A 25 -4.256 2.211 6.851 1.00 0.00 C ATOM 354 OE1 GLN A 25 -5.235 2.591 7.493 1.00 0.00 O ATOM 355 NE2 GLN A 25 -3.016 2.296 7.319 1.00 0.00 N ATOM 0 H GLN A 25 -2.619 -0.274 3.344 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.322 -0.018 6.282 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -4.848 -0.296 4.606 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.794 -0.292 6.357 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.655 2.031 4.805 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.385 1.905 5.058 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.234 1.969 6.752 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.846 2.689 8.245 1.00 0.00 H new ATOM 364 N PHE A 26 -3.275 -2.580 4.415 1.00 0.00 N ATOM 365 CA PHE A 26 -3.311 -4.037 4.359 1.00 0.00 C ATOM 366 C PHE A 26 -2.164 -4.576 3.510 1.00 0.00 C ATOM 367 O PHE A 26 -1.731 -3.933 2.554 1.00 0.00 O ATOM 368 CB PHE A 26 -4.648 -4.514 3.791 1.00 0.00 C ATOM 369 CG PHE A 26 -4.932 -5.964 4.061 1.00 0.00 C ATOM 370 CD1 PHE A 26 -5.308 -6.386 5.325 1.00 0.00 C ATOM 371 CD2 PHE A 26 -4.822 -6.904 3.049 1.00 0.00 C ATOM 372 CE1 PHE A 26 -5.569 -7.719 5.577 1.00 0.00 C ATOM 373 CE2 PHE A 26 -5.082 -8.239 3.294 1.00 0.00 C ATOM 374 CZ PHE A 26 -5.456 -8.647 4.560 1.00 0.00 C ATOM 0 H PHE A 26 -3.599 -2.117 3.566 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.199 -4.418 5.374 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.450 -3.910 4.215 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.657 -4.345 2.714 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.398 -5.664 6.123 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.530 -6.590 2.058 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.861 -8.035 6.568 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.993 -8.962 2.497 1.00 0.00 H new ATOM 0 HZ PHE A 26 -5.660 -9.690 4.754 1.00 0.00 H new ATOM 384 N LEU A 27 -1.676 -5.760 3.866 1.00 0.00 N ATOM 385 CA LEU A 27 -0.580 -6.386 3.137 1.00 0.00 C ATOM 386 C LEU A 27 -0.748 -7.901 3.096 1.00 0.00 C ATOM 387 O LEU A 27 -0.549 -8.586 4.100 1.00 0.00 O ATOM 388 CB LEU A 27 0.760 -6.027 3.781 1.00 0.00 C ATOM 389 CG LEU A 27 1.198 -4.572 3.600 1.00 0.00 C ATOM 390 CD1 LEU A 27 2.426 -4.274 4.445 1.00 0.00 C ATOM 391 CD2 LEU A 27 1.473 -4.279 2.132 1.00 0.00 C ATOM 0 H LEU A 27 -2.023 -6.305 4.655 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.596 -6.009 2.114 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.702 -6.243 4.848 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.531 -6.677 3.366 1.00 0.00 H new ATOM 0 HG LEU A 27 0.388 -3.924 3.935 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.722 -3.235 4.303 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.194 -4.445 5.496 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.243 -4.929 4.143 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.783 -3.240 2.020 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.265 -4.935 1.772 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.567 -4.452 1.551 1.00 0.00 H new ATOM 403 N GLY A 28 -1.116 -8.420 1.929 1.00 0.00 N ATOM 404 CA GLY A 28 -1.304 -9.850 1.779 1.00 0.00 C ATOM 405 C GLY A 28 -2.297 -10.193 0.686 1.00 0.00 C ATOM 406 O GLY A 28 -2.972 -9.313 0.152 1.00 0.00 O ATOM 0 H GLY A 28 -1.287 -7.875 1.084 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.345 -10.318 1.554 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.650 -10.269 2.724 1.00 0.00 H new ATOM 410 N GLU A 29 -2.386 -11.477 0.350 1.00 0.00 N ATOM 411 CA GLU A 29 -3.305 -11.934 -0.686 1.00 0.00 C ATOM 412 C GLU A 29 -4.748 -11.608 -0.318 1.00 0.00 C ATOM 413 O GLU A 29 -5.081 -11.464 0.859 1.00 0.00 O ATOM 414 CB GLU A 29 -3.149 -13.439 -0.907 1.00 0.00 C ATOM 415 CG GLU A 29 -3.260 -14.257 0.370 1.00 0.00 C ATOM 416 CD GLU A 29 -4.490 -15.144 0.391 1.00 0.00 C ATOM 417 OE1 GLU A 29 -4.469 -16.203 -0.270 1.00 0.00 O ATOM 418 OE2 GLU A 29 -5.474 -14.779 1.068 1.00 0.00 O ATOM 0 H GLU A 29 -1.833 -12.218 0.780 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.060 -11.411 -1.610 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -3.910 -13.775 -1.611 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.181 -13.631 -1.369 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.369 -14.875 0.479 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.288 -13.584 1.227 1.00 0.00 H new ATOM 425 N THR A 30 -5.601 -11.492 -1.330 1.00 0.00 N ATOM 426 CA THR A 30 -7.008 -11.183 -1.112 1.00 0.00 C ATOM 427 C THR A 30 -7.887 -12.387 -1.433 1.00 0.00 C ATOM 428 O THR A 30 -7.387 -13.468 -1.744 1.00 0.00 O ATOM 429 CB THR A 30 -7.428 -9.988 -1.970 1.00 0.00 C ATOM 430 OG1 THR A 30 -7.306 -10.292 -3.348 1.00 0.00 O ATOM 431 CG2 THR A 30 -6.612 -8.742 -1.701 1.00 0.00 C ATOM 0 H THR A 30 -5.342 -11.608 -2.310 1.00 0.00 H new ATOM 0 HA THR A 30 -7.139 -10.931 -0.060 1.00 0.00 H new ATOM 0 HB THR A 30 -8.465 -9.789 -1.700 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.725 -9.582 -3.878 1.00 0.00 H new ATOM 0 HG21 THR A 30 -6.961 -7.933 -2.342 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.725 -8.452 -0.656 1.00 0.00 H new ATOM 0 HG23 THR A 30 -5.561 -8.943 -1.910 1.00 0.00 H new ATOM 439 N GLN A 31 -9.200 -12.192 -1.357 1.00 0.00 N ATOM 440 CA GLN A 31 -10.150 -13.263 -1.640 1.00 0.00 C ATOM 441 C GLN A 31 -10.665 -13.169 -3.072 1.00 0.00 C ATOM 442 O GLN A 31 -10.979 -14.181 -3.697 1.00 0.00 O ATOM 443 CB GLN A 31 -11.322 -13.205 -0.659 1.00 0.00 C ATOM 444 CG GLN A 31 -10.958 -13.640 0.752 1.00 0.00 C ATOM 445 CD GLN A 31 -11.557 -14.983 1.122 1.00 0.00 C ATOM 446 OE1 GLN A 31 -10.860 -15.875 1.605 1.00 0.00 O ATOM 447 NE2 GLN A 31 -12.856 -15.134 0.895 1.00 0.00 N ATOM 0 H GLN A 31 -9.630 -11.303 -1.102 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.633 -14.215 -1.521 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.708 -12.186 -0.628 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -12.127 -13.840 -1.030 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.873 -13.693 0.843 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -11.301 -12.886 1.460 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -13.396 -14.368 0.493 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -13.314 -16.016 1.123 1.00 0.00 H new ATOM 456 N PHE A 32 -10.750 -11.946 -3.586 1.00 0.00 N ATOM 457 CA PHE A 32 -11.228 -11.720 -4.945 1.00 0.00 C ATOM 458 C PHE A 32 -10.156 -12.085 -5.967 1.00 0.00 C ATOM 459 O PHE A 32 -10.447 -12.697 -6.995 1.00 0.00 O ATOM 460 CB PHE A 32 -11.645 -10.259 -5.126 1.00 0.00 C ATOM 461 CG PHE A 32 -10.525 -9.282 -4.901 1.00 0.00 C ATOM 462 CD1 PHE A 32 -9.710 -8.890 -5.950 1.00 0.00 C ATOM 463 CD2 PHE A 32 -10.289 -8.759 -3.639 1.00 0.00 C ATOM 464 CE1 PHE A 32 -8.680 -7.992 -5.746 1.00 0.00 C ATOM 465 CE2 PHE A 32 -9.260 -7.861 -3.430 1.00 0.00 C ATOM 466 CZ PHE A 32 -8.454 -7.476 -4.484 1.00 0.00 C ATOM 0 H PHE A 32 -10.494 -11.097 -3.082 1.00 0.00 H new ATOM 0 HA PHE A 32 -12.094 -12.361 -5.109 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -12.037 -10.124 -6.134 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -12.457 -10.033 -4.435 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.881 -9.291 -6.938 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -10.916 -9.056 -2.811 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -8.052 -7.693 -6.572 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.086 -7.460 -2.443 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.650 -6.774 -4.322 1.00 0.00 H new ATOM 476 N ALA A 33 -8.916 -11.706 -5.678 1.00 0.00 N ATOM 477 CA ALA A 33 -7.800 -11.994 -6.571 1.00 0.00 C ATOM 478 C ALA A 33 -6.746 -12.853 -5.876 1.00 0.00 C ATOM 479 O ALA A 33 -6.521 -12.720 -4.673 1.00 0.00 O ATOM 480 CB ALA A 33 -7.180 -10.699 -7.074 1.00 0.00 C ATOM 0 H ALA A 33 -8.658 -11.198 -4.832 1.00 0.00 H new ATOM 0 HA ALA A 33 -8.184 -12.556 -7.422 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.348 -10.928 -7.740 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.930 -10.123 -7.616 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.817 -10.116 -6.227 1.00 0.00 H new ATOM 486 N PRO A 34 -6.082 -13.751 -6.627 1.00 0.00 N ATOM 487 CA PRO A 34 -5.050 -14.631 -6.076 1.00 0.00 C ATOM 488 C PRO A 34 -3.750 -13.890 -5.784 1.00 0.00 C ATOM 489 O PRO A 34 -3.661 -12.676 -5.969 1.00 0.00 O ATOM 490 CB PRO A 34 -4.840 -15.662 -7.185 1.00 0.00 C ATOM 491 CG PRO A 34 -5.193 -14.941 -8.439 1.00 0.00 C ATOM 492 CD PRO A 34 -6.289 -13.977 -8.071 1.00 0.00 C ATOM 0 HA PRO A 34 -5.349 -15.064 -5.121 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -3.809 -16.016 -7.208 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -5.474 -16.537 -7.039 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -4.329 -14.413 -8.842 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.528 -15.637 -9.208 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.213 -13.049 -8.637 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -7.275 -14.395 -8.274 1.00 0.00 H new ATOM 500 N GLY A 35 -2.743 -14.628 -5.328 1.00 0.00 N ATOM 501 CA GLY A 35 -1.461 -14.023 -5.019 1.00 0.00 C ATOM 502 C GLY A 35 -1.566 -12.951 -3.953 1.00 0.00 C ATOM 503 O GLY A 35 -2.663 -12.620 -3.503 1.00 0.00 O ATOM 0 H GLY A 35 -2.792 -15.634 -5.167 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.769 -14.796 -4.685 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.040 -13.589 -5.926 1.00 0.00 H new ATOM 507 N GLN A 36 -0.424 -12.409 -3.547 1.00 0.00 N ATOM 508 CA GLN A 36 -0.391 -11.367 -2.526 1.00 0.00 C ATOM 509 C GLN A 36 -0.880 -10.037 -3.090 1.00 0.00 C ATOM 510 O GLN A 36 -1.024 -9.881 -4.303 1.00 0.00 O ATOM 511 CB GLN A 36 1.027 -11.210 -1.972 1.00 0.00 C ATOM 512 CG GLN A 36 1.616 -12.504 -1.435 1.00 0.00 C ATOM 513 CD GLN A 36 1.651 -12.544 0.080 1.00 0.00 C ATOM 514 OE1 GLN A 36 2.613 -12.095 0.703 1.00 0.00 O ATOM 515 NE2 GLN A 36 0.598 -13.085 0.682 1.00 0.00 N ATOM 0 H GLN A 36 0.492 -12.673 -3.909 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.058 -11.665 -1.717 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.675 -10.824 -2.759 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.017 -10.467 -1.175 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.030 -13.346 -1.804 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.628 -12.626 -1.821 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.178 -13.445 0.126 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.565 -13.140 1.700 1.00 0.00 H new ATOM 524 N TRP A 37 -1.131 -9.079 -2.203 1.00 0.00 N ATOM 525 CA TRP A 37 -1.604 -7.763 -2.613 1.00 0.00 C ATOM 526 C TRP A 37 -1.220 -6.702 -1.586 1.00 0.00 C ATOM 527 O TRP A 37 -0.675 -7.017 -0.528 1.00 0.00 O ATOM 528 CB TRP A 37 -3.122 -7.778 -2.803 1.00 0.00 C ATOM 529 CG TRP A 37 -3.562 -8.553 -4.007 1.00 0.00 C ATOM 530 CD1 TRP A 37 -3.893 -9.877 -4.055 1.00 0.00 C ATOM 531 CD2 TRP A 37 -3.718 -8.052 -5.340 1.00 0.00 C ATOM 532 NE1 TRP A 37 -4.246 -10.229 -5.336 1.00 0.00 N ATOM 533 CE2 TRP A 37 -4.146 -9.125 -6.143 1.00 0.00 C ATOM 534 CE3 TRP A 37 -3.536 -6.799 -5.933 1.00 0.00 C ATOM 535 CZ2 TRP A 37 -4.397 -8.984 -7.505 1.00 0.00 C ATOM 536 CZ3 TRP A 37 -3.785 -6.660 -7.286 1.00 0.00 C ATOM 537 CH2 TRP A 37 -4.212 -7.747 -8.058 1.00 0.00 C ATOM 0 H TRP A 37 -1.014 -9.190 -1.196 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.129 -7.514 -3.562 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.588 -8.205 -1.915 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.480 -6.752 -2.889 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -3.879 -10.549 -3.210 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -4.535 -11.160 -5.637 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -3.207 -5.955 -5.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -4.726 -9.821 -8.103 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.648 -5.697 -7.755 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.399 -7.606 -9.112 1.00 0.00 H new ATOM 548 N ALA A 38 -1.507 -5.445 -1.906 1.00 0.00 N ATOM 549 CA ALA A 38 -1.192 -4.337 -1.011 1.00 0.00 C ATOM 550 C ALA A 38 -2.279 -3.267 -1.058 1.00 0.00 C ATOM 551 O ALA A 38 -2.481 -2.619 -2.085 1.00 0.00 O ATOM 552 CB ALA A 38 0.158 -3.737 -1.371 1.00 0.00 C ATOM 0 H ALA A 38 -1.957 -5.168 -2.778 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.145 -4.725 0.006 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.381 -2.911 -0.695 1.00 0.00 H new ATOM 0 HB2 ALA A 38 0.931 -4.500 -1.279 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.131 -3.369 -2.397 1.00 0.00 H new ATOM 558 N GLY A 39 -2.975 -3.088 0.060 1.00 0.00 N ATOM 559 CA GLY A 39 -4.032 -2.095 0.125 1.00 0.00 C ATOM 560 C GLY A 39 -3.508 -0.712 0.459 1.00 0.00 C ATOM 561 O GLY A 39 -3.060 -0.464 1.578 1.00 0.00 O ATOM 0 H GLY A 39 -2.826 -3.613 0.922 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.554 -2.061 -0.831 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.762 -2.395 0.877 1.00 0.00 H new ATOM 565 N ILE A 40 -3.565 0.190 -0.515 1.00 0.00 N ATOM 566 CA ILE A 40 -3.092 1.556 -0.320 1.00 0.00 C ATOM 567 C ILE A 40 -4.260 2.528 -0.189 1.00 0.00 C ATOM 568 O ILE A 40 -5.325 2.316 -0.770 1.00 0.00 O ATOM 569 CB ILE A 40 -2.189 2.010 -1.483 1.00 0.00 C ATOM 570 CG1 ILE A 40 -1.092 0.976 -1.743 1.00 0.00 C ATOM 571 CG2 ILE A 40 -1.578 3.371 -1.181 1.00 0.00 C ATOM 572 CD1 ILE A 40 -0.628 0.935 -3.183 1.00 0.00 C ATOM 0 H ILE A 40 -3.934 0.000 -1.447 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.512 1.561 0.603 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.800 2.098 -2.382 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.239 1.195 -1.101 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.459 -0.010 -1.460 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.943 3.677 -2.012 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.373 4.104 -1.042 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.980 3.308 -0.272 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.150 0.180 -3.293 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.470 0.686 -3.829 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.230 1.910 -3.465 1.00 0.00 H new ATOM 584 N VAL A 41 -4.054 3.593 0.579 1.00 0.00 N ATOM 585 CA VAL A 41 -5.090 4.598 0.787 1.00 0.00 C ATOM 586 C VAL A 41 -4.706 5.923 0.137 1.00 0.00 C ATOM 587 O VAL A 41 -3.922 6.693 0.691 1.00 0.00 O ATOM 588 CB VAL A 41 -5.354 4.831 2.287 1.00 0.00 C ATOM 589 CG1 VAL A 41 -6.537 5.766 2.483 1.00 0.00 C ATOM 590 CG2 VAL A 41 -5.587 3.508 3.002 1.00 0.00 C ATOM 0 H VAL A 41 -3.179 3.782 1.068 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.999 4.218 0.322 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.472 5.302 2.722 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.708 5.918 3.549 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.326 6.724 2.009 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.427 5.326 2.032 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.772 3.694 4.060 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.450 3.006 2.566 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.706 2.875 2.893 1.00 0.00 H new ATOM 600 N LEU A 42 -5.265 6.183 -1.040 1.00 0.00 N ATOM 601 CA LEU A 42 -4.981 7.416 -1.765 1.00 0.00 C ATOM 602 C LEU A 42 -5.483 8.629 -0.990 1.00 0.00 C ATOM 603 O LEU A 42 -6.606 8.635 -0.485 1.00 0.00 O ATOM 604 CB LEU A 42 -5.629 7.378 -3.151 1.00 0.00 C ATOM 605 CG LEU A 42 -5.011 6.376 -4.127 1.00 0.00 C ATOM 606 CD1 LEU A 42 -5.869 6.249 -5.376 1.00 0.00 C ATOM 607 CD2 LEU A 42 -3.593 6.791 -4.491 1.00 0.00 C ATOM 0 H LEU A 42 -5.917 5.557 -1.512 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.900 7.501 -1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.687 7.143 -3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.570 8.374 -3.590 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.969 5.402 -3.640 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.414 5.532 -6.059 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -6.865 5.904 -5.099 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.944 7.220 -5.866 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.169 6.066 -5.186 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.611 7.775 -4.959 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.982 6.829 -3.589 1.00 0.00 H new ATOM 619 N ASP A 43 -4.644 9.655 -0.898 1.00 0.00 N ATOM 620 CA ASP A 43 -5.003 10.874 -0.183 1.00 0.00 C ATOM 621 C ASP A 43 -6.144 11.603 -0.886 1.00 0.00 C ATOM 622 O ASP A 43 -6.987 12.225 -0.240 1.00 0.00 O ATOM 623 CB ASP A 43 -3.788 11.797 -0.066 1.00 0.00 C ATOM 624 CG ASP A 43 -4.055 12.995 0.824 1.00 0.00 C ATOM 625 OD1 ASP A 43 -4.539 12.795 1.959 1.00 0.00 O ATOM 626 OD2 ASP A 43 -3.782 14.133 0.387 1.00 0.00 O ATOM 0 H ASP A 43 -3.711 9.667 -1.310 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.337 10.594 0.816 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -2.944 11.233 0.332 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -3.501 12.143 -1.059 1.00 0.00 H new ATOM 631 N GLU A 44 -6.163 11.522 -2.213 1.00 0.00 N ATOM 632 CA GLU A 44 -7.201 12.173 -3.003 1.00 0.00 C ATOM 633 C GLU A 44 -8.126 11.142 -3.647 1.00 0.00 C ATOM 634 O GLU A 44 -7.731 9.997 -3.870 1.00 0.00 O ATOM 635 CB GLU A 44 -6.569 13.055 -4.082 1.00 0.00 C ATOM 636 CG GLU A 44 -6.470 14.520 -3.689 1.00 0.00 C ATOM 637 CD GLU A 44 -5.685 15.342 -4.693 1.00 0.00 C ATOM 638 OE1 GLU A 44 -6.255 15.691 -5.748 1.00 0.00 O ATOM 639 OE2 GLU A 44 -4.502 15.636 -4.424 1.00 0.00 O ATOM 0 H GLU A 44 -5.472 11.012 -2.763 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.795 12.796 -2.334 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.571 12.680 -4.308 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.155 12.972 -4.997 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.473 14.935 -3.591 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.996 14.599 -2.711 1.00 0.00 H new ATOM 646 N PRO A 45 -9.373 11.536 -3.955 1.00 0.00 N ATOM 647 CA PRO A 45 -10.353 10.640 -4.576 1.00 0.00 C ATOM 648 C PRO A 45 -10.011 10.327 -6.030 1.00 0.00 C ATOM 649 O PRO A 45 -10.764 10.666 -6.944 1.00 0.00 O ATOM 650 CB PRO A 45 -11.660 11.430 -4.490 1.00 0.00 C ATOM 651 CG PRO A 45 -11.236 12.858 -4.458 1.00 0.00 C ATOM 652 CD PRO A 45 -9.924 12.886 -3.724 1.00 0.00 C ATOM 0 HA PRO A 45 -10.393 9.671 -4.079 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -12.303 11.227 -5.346 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -12.225 11.164 -3.597 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -11.127 13.255 -5.467 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -11.979 13.474 -3.952 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.263 13.661 -4.112 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.062 13.087 -2.662 1.00 0.00 H new ATOM 660 N ILE A 46 -8.870 9.679 -6.237 1.00 0.00 N ATOM 661 CA ILE A 46 -8.428 9.320 -7.579 1.00 0.00 C ATOM 662 C ILE A 46 -8.191 7.818 -7.697 1.00 0.00 C ATOM 663 O ILE A 46 -7.340 7.373 -8.466 1.00 0.00 O ATOM 664 CB ILE A 46 -7.133 10.062 -7.961 1.00 0.00 C ATOM 665 CG1 ILE A 46 -6.040 9.793 -6.925 1.00 0.00 C ATOM 666 CG2 ILE A 46 -7.396 11.555 -8.089 1.00 0.00 C ATOM 667 CD1 ILE A 46 -4.657 9.661 -7.526 1.00 0.00 C ATOM 0 H ILE A 46 -8.235 9.392 -5.493 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.224 9.615 -8.263 1.00 0.00 H new ATOM 0 HB ILE A 46 -6.790 9.690 -8.926 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.035 10.603 -6.196 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.281 8.878 -6.384 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -6.472 12.065 -8.359 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.145 11.728 -8.862 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -7.760 11.943 -7.138 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -3.933 9.471 -6.734 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.646 8.833 -8.234 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.395 10.584 -8.043 1.00 0.00 H new ATOM 679 N GLY A 47 -8.949 7.043 -6.929 1.00 0.00 N ATOM 680 CA GLY A 47 -8.807 5.599 -6.961 1.00 0.00 C ATOM 681 C GLY A 47 -10.039 4.905 -7.510 1.00 0.00 C ATOM 682 O GLY A 47 -10.853 5.524 -8.196 1.00 0.00 O ATOM 0 H GLY A 47 -9.660 7.389 -6.284 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.943 5.336 -7.572 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.608 5.235 -5.953 1.00 0.00 H new ATOM 686 N LYS A 48 -10.175 3.619 -7.209 1.00 0.00 N ATOM 687 CA LYS A 48 -11.316 2.839 -7.676 1.00 0.00 C ATOM 688 C LYS A 48 -12.142 2.327 -6.502 1.00 0.00 C ATOM 689 O LYS A 48 -13.373 2.332 -6.547 1.00 0.00 O ATOM 690 CB LYS A 48 -10.840 1.664 -8.531 1.00 0.00 C ATOM 691 CG LYS A 48 -10.235 2.084 -9.861 1.00 0.00 C ATOM 692 CD LYS A 48 -11.296 2.190 -10.946 1.00 0.00 C ATOM 693 CE LYS A 48 -11.605 0.832 -11.556 1.00 0.00 C ATOM 694 NZ LYS A 48 -12.573 0.936 -12.682 1.00 0.00 N ATOM 0 H LYS A 48 -9.509 3.093 -6.643 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.946 3.490 -8.283 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.101 1.093 -7.969 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.682 0.998 -8.719 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.733 3.045 -9.747 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.476 1.361 -10.162 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.207 2.617 -10.526 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.954 2.871 -11.725 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.682 0.376 -11.912 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.011 0.173 -10.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.757 -0.011 -13.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.464 1.348 -12.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.176 1.544 -13.426 1.00 0.00 H new ATOM 708 N ASN A 49 -11.459 1.885 -5.452 1.00 0.00 N ATOM 709 CA ASN A 49 -12.130 1.368 -4.265 1.00 0.00 C ATOM 710 C ASN A 49 -11.980 2.331 -3.091 1.00 0.00 C ATOM 711 O ASN A 49 -11.251 3.318 -3.176 1.00 0.00 O ATOM 712 CB ASN A 49 -11.564 -0.002 -3.889 1.00 0.00 C ATOM 713 CG ASN A 49 -11.903 -1.068 -4.914 1.00 0.00 C ATOM 714 OD1 ASN A 49 -13.035 -1.151 -5.389 1.00 0.00 O ATOM 715 ND2 ASN A 49 -10.919 -1.891 -5.258 1.00 0.00 N ATOM 0 H ASN A 49 -10.440 1.874 -5.399 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.191 1.265 -4.495 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.481 0.070 -3.788 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -11.955 -0.299 -2.916 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.087 -2.629 -5.942 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.995 -1.785 -4.838 1.00 0.00 H new ATOM 722 N ASP A 50 -12.676 2.037 -1.999 1.00 0.00 N ATOM 723 CA ASP A 50 -12.621 2.876 -0.807 1.00 0.00 C ATOM 724 C ASP A 50 -12.366 2.035 0.439 1.00 0.00 C ATOM 725 O ASP A 50 -12.874 2.338 1.519 1.00 0.00 O ATOM 726 CB ASP A 50 -13.924 3.661 -0.650 1.00 0.00 C ATOM 727 CG ASP A 50 -15.132 2.755 -0.513 1.00 0.00 C ATOM 728 OD1 ASP A 50 -15.106 1.857 0.356 1.00 0.00 O ATOM 729 OD2 ASP A 50 -16.103 2.941 -1.275 1.00 0.00 O ATOM 0 H ASP A 50 -13.285 1.224 -1.914 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.795 3.577 -0.924 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.854 4.304 0.227 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -14.058 4.313 -1.513 1.00 0.00 H new ATOM 734 N GLY A 51 -11.577 0.977 0.282 1.00 0.00 N ATOM 735 CA GLY A 51 -11.269 0.108 1.402 1.00 0.00 C ATOM 736 C GLY A 51 -12.198 -1.087 1.483 1.00 0.00 C ATOM 737 O GLY A 51 -12.425 -1.632 2.564 1.00 0.00 O ATOM 0 H GLY A 51 -11.145 0.706 -0.602 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.240 -0.241 1.314 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.334 0.678 2.329 1.00 0.00 H new ATOM 741 N SER A 52 -12.738 -1.494 0.339 1.00 0.00 N ATOM 742 CA SER A 52 -13.648 -2.632 0.286 1.00 0.00 C ATOM 743 C SER A 52 -13.733 -3.194 -1.130 1.00 0.00 C ATOM 744 O SER A 52 -14.092 -2.485 -2.069 1.00 0.00 O ATOM 745 CB SER A 52 -15.040 -2.222 0.770 1.00 0.00 C ATOM 746 OG SER A 52 -15.909 -3.340 0.829 1.00 0.00 O ATOM 0 H SER A 52 -12.561 -1.053 -0.563 1.00 0.00 H new ATOM 0 HA SER A 52 -13.258 -3.409 0.943 1.00 0.00 H new ATOM 0 HB2 SER A 52 -14.965 -1.763 1.756 1.00 0.00 H new ATOM 0 HB3 SER A 52 -15.455 -1.470 0.099 1.00 0.00 H new ATOM 0 HG SER A 52 -15.388 -4.150 1.012 1.00 0.00 H new ATOM 752 N VAL A 53 -13.402 -4.473 -1.274 1.00 0.00 N ATOM 753 CA VAL A 53 -13.442 -5.130 -2.576 1.00 0.00 C ATOM 754 C VAL A 53 -14.433 -6.289 -2.574 1.00 0.00 C ATOM 755 O VAL A 53 -14.290 -7.241 -1.806 1.00 0.00 O ATOM 756 CB VAL A 53 -12.052 -5.656 -2.983 1.00 0.00 C ATOM 757 CG1 VAL A 53 -12.080 -6.199 -4.404 1.00 0.00 C ATOM 758 CG2 VAL A 53 -11.003 -4.564 -2.844 1.00 0.00 C ATOM 0 H VAL A 53 -13.103 -5.075 -0.506 1.00 0.00 H new ATOM 0 HA VAL A 53 -13.764 -4.381 -3.300 1.00 0.00 H new ATOM 0 HB VAL A 53 -11.784 -6.472 -2.311 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.089 -6.566 -4.673 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -12.799 -7.016 -4.467 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -12.372 -5.405 -5.091 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.029 -4.956 -3.136 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -11.264 -3.724 -3.488 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -10.963 -4.228 -1.808 1.00 0.00 H new ATOM 768 N ALA A 54 -15.438 -6.203 -3.439 1.00 0.00 N ATOM 769 CA ALA A 54 -16.454 -7.245 -3.538 1.00 0.00 C ATOM 770 C ALA A 54 -17.201 -7.410 -2.220 1.00 0.00 C ATOM 771 O ALA A 54 -17.661 -8.503 -1.889 1.00 0.00 O ATOM 772 CB ALA A 54 -15.818 -8.562 -3.957 1.00 0.00 C ATOM 0 H ALA A 54 -15.571 -5.422 -4.082 1.00 0.00 H new ATOM 0 HA ALA A 54 -17.176 -6.945 -4.298 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -16.587 -9.331 -4.027 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -15.336 -8.441 -4.927 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -15.075 -8.859 -3.217 1.00 0.00 H new ATOM 778 N GLY A 55 -17.317 -6.319 -1.469 1.00 0.00 N ATOM 779 CA GLY A 55 -18.010 -6.367 -0.194 1.00 0.00 C ATOM 780 C GLY A 55 -17.097 -6.745 0.958 1.00 0.00 C ATOM 781 O GLY A 55 -17.489 -6.652 2.122 1.00 0.00 O ATOM 0 H GLY A 55 -16.944 -5.403 -1.720 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -18.458 -5.394 0.008 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -18.826 -7.087 -0.256 1.00 0.00 H new ATOM 785 N VAL A 56 -15.879 -7.174 0.639 1.00 0.00 N ATOM 786 CA VAL A 56 -14.916 -7.567 1.662 1.00 0.00 C ATOM 787 C VAL A 56 -14.138 -6.360 2.176 1.00 0.00 C ATOM 788 O VAL A 56 -13.574 -5.593 1.394 1.00 0.00 O ATOM 789 CB VAL A 56 -13.922 -8.614 1.125 1.00 0.00 C ATOM 790 CG1 VAL A 56 -13.031 -9.131 2.245 1.00 0.00 C ATOM 791 CG2 VAL A 56 -14.662 -9.760 0.450 1.00 0.00 C ATOM 0 H VAL A 56 -15.536 -7.258 -0.318 1.00 0.00 H new ATOM 0 HA VAL A 56 -15.486 -8.005 2.482 1.00 0.00 H new ATOM 0 HB VAL A 56 -13.287 -8.134 0.380 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.336 -9.869 1.845 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.471 -8.302 2.677 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -13.647 -9.593 3.016 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -13.942 -10.489 0.078 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -15.324 -10.240 1.170 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -15.250 -9.373 -0.382 1.00 0.00 H new ATOM 801 N ARG A 57 -14.109 -6.199 3.494 1.00 0.00 N ATOM 802 CA ARG A 57 -13.398 -5.087 4.113 1.00 0.00 C ATOM 803 C ARG A 57 -11.941 -5.453 4.377 1.00 0.00 C ATOM 804 O ARG A 57 -11.608 -6.625 4.559 1.00 0.00 O ATOM 805 CB ARG A 57 -14.079 -4.683 5.422 1.00 0.00 C ATOM 806 CG ARG A 57 -13.491 -3.429 6.052 1.00 0.00 C ATOM 807 CD ARG A 57 -14.378 -2.896 7.166 1.00 0.00 C ATOM 808 NE ARG A 57 -15.142 -1.723 6.745 1.00 0.00 N ATOM 809 CZ ARG A 57 -15.723 -0.875 7.590 1.00 0.00 C ATOM 810 NH1 ARG A 57 -15.630 -1.065 8.901 1.00 0.00 N ATOM 811 NH2 ARG A 57 -16.398 0.167 7.124 1.00 0.00 N ATOM 0 H ARG A 57 -14.570 -6.825 4.155 1.00 0.00 H new ATOM 0 HA ARG A 57 -13.424 -4.243 3.423 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -15.141 -4.522 5.235 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -14.002 -5.507 6.132 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -12.500 -3.650 6.449 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -13.364 -2.662 5.288 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -15.064 -3.679 7.489 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -13.762 -2.637 8.027 1.00 0.00 H new ATOM 0 HE ARG A 57 -15.235 -1.544 5.745 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -15.111 -1.864 9.265 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -16.077 -0.412 9.544 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -16.472 0.318 6.118 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -16.843 0.817 7.772 1.00 0.00 H new ATOM 825 N TYR A 58 -11.076 -4.445 4.397 1.00 0.00 N ATOM 826 CA TYR A 58 -9.655 -4.662 4.639 1.00 0.00 C ATOM 827 C TYR A 58 -9.081 -3.563 5.526 1.00 0.00 C ATOM 828 O TYR A 58 -8.674 -3.815 6.660 1.00 0.00 O ATOM 829 CB TYR A 58 -8.893 -4.714 3.313 1.00 0.00 C ATOM 830 CG TYR A 58 -9.347 -5.828 2.397 1.00 0.00 C ATOM 831 CD1 TYR A 58 -8.774 -7.092 2.474 1.00 0.00 C ATOM 832 CD2 TYR A 58 -10.348 -5.617 1.458 1.00 0.00 C ATOM 833 CE1 TYR A 58 -9.185 -8.113 1.638 1.00 0.00 C ATOM 834 CE2 TYR A 58 -10.765 -6.633 0.620 1.00 0.00 C ATOM 835 CZ TYR A 58 -10.182 -7.879 0.713 1.00 0.00 C ATOM 836 OH TYR A 58 -10.595 -8.894 -0.119 1.00 0.00 O ATOM 0 H TYR A 58 -11.334 -3.469 4.248 1.00 0.00 H new ATOM 0 HA TYR A 58 -9.540 -5.616 5.154 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -9.011 -3.761 2.798 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -7.830 -4.835 3.519 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -7.995 -7.279 3.199 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -10.808 -4.643 1.382 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -8.728 -9.089 1.708 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -11.545 -6.452 -0.105 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.248 -8.738 -1.022 1.00 0.00 H new ATOM 846 N PHE A 59 -9.050 -2.343 5.000 1.00 0.00 N ATOM 847 CA PHE A 59 -8.524 -1.202 5.743 1.00 0.00 C ATOM 848 C PHE A 59 -9.585 -0.119 5.912 1.00 0.00 C ATOM 849 O PHE A 59 -9.595 0.601 6.911 1.00 0.00 O ATOM 850 CB PHE A 59 -7.298 -0.625 5.033 1.00 0.00 C ATOM 851 CG PHE A 59 -7.478 -0.469 3.551 1.00 0.00 C ATOM 852 CD1 PHE A 59 -7.409 -1.569 2.711 1.00 0.00 C ATOM 853 CD2 PHE A 59 -7.717 0.779 2.996 1.00 0.00 C ATOM 854 CE1 PHE A 59 -7.573 -1.429 1.346 1.00 0.00 C ATOM 855 CE2 PHE A 59 -7.882 0.926 1.632 1.00 0.00 C ATOM 856 CZ PHE A 59 -7.810 -0.179 0.806 1.00 0.00 C ATOM 0 H PHE A 59 -9.383 -2.118 4.062 1.00 0.00 H new ATOM 0 HA PHE A 59 -8.232 -1.553 6.733 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.062 0.347 5.466 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.442 -1.273 5.220 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.225 -2.548 3.128 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -7.775 1.646 3.637 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -7.516 -2.295 0.703 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -8.067 1.904 1.212 1.00 0.00 H new ATOM 0 HZ PHE A 59 -7.939 -0.066 -0.260 1.00 0.00 H new ATOM 866 N GLN A 60 -10.477 -0.008 4.932 1.00 0.00 N ATOM 867 CA GLN A 60 -11.542 0.990 4.973 1.00 0.00 C ATOM 868 C GLN A 60 -10.972 2.400 4.871 1.00 0.00 C ATOM 869 O GLN A 60 -10.003 2.739 5.551 1.00 0.00 O ATOM 870 CB GLN A 60 -12.360 0.848 6.260 1.00 0.00 C ATOM 871 CG GLN A 60 -13.634 1.676 6.265 1.00 0.00 C ATOM 872 CD GLN A 60 -14.507 1.412 5.054 1.00 0.00 C ATOM 873 OE1 GLN A 60 -14.972 0.293 4.842 1.00 0.00 O ATOM 874 NE2 GLN A 60 -14.734 2.446 4.252 1.00 0.00 N ATOM 0 H GLN A 60 -10.484 -0.597 4.099 1.00 0.00 H new ATOM 0 HA GLN A 60 -12.195 0.819 4.117 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -12.618 -0.201 6.403 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -11.742 1.143 7.108 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -14.200 1.459 7.171 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -13.375 2.734 6.297 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -14.328 3.357 4.467 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -15.315 2.329 3.421 1.00 0.00 H new ATOM 883 N CYS A 61 -11.578 3.217 4.016 1.00 0.00 N ATOM 884 CA CYS A 61 -11.130 4.591 3.824 1.00 0.00 C ATOM 885 C CYS A 61 -12.200 5.418 3.115 1.00 0.00 C ATOM 886 O CYS A 61 -13.312 4.943 2.882 1.00 0.00 O ATOM 887 CB CYS A 61 -9.831 4.618 3.017 1.00 0.00 C ATOM 888 SG CYS A 61 -9.993 3.966 1.338 1.00 0.00 S ATOM 0 H CYS A 61 -12.380 2.951 3.445 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.949 5.028 4.806 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -9.470 5.645 2.963 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.074 4.041 3.548 1.00 0.00 H new ATOM 0 HG CYS A 61 -8.853 4.066 0.722 1.00 0.00 H new ATOM 894 N GLU A 62 -11.856 6.655 2.774 1.00 0.00 N ATOM 895 CA GLU A 62 -12.786 7.546 2.091 1.00 0.00 C ATOM 896 C GLU A 62 -13.021 7.092 0.653 1.00 0.00 C ATOM 897 O GLU A 62 -12.248 6.306 0.106 1.00 0.00 O ATOM 898 CB GLU A 62 -12.256 8.980 2.104 1.00 0.00 C ATOM 899 CG GLU A 62 -12.340 9.648 3.467 1.00 0.00 C ATOM 900 CD GLU A 62 -11.754 11.046 3.467 1.00 0.00 C ATOM 901 OE1 GLU A 62 -12.033 11.808 2.517 1.00 0.00 O ATOM 902 OE2 GLU A 62 -11.016 11.381 4.418 1.00 0.00 O ATOM 0 H GLU A 62 -10.940 7.063 2.959 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.737 7.512 2.623 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -11.217 8.978 1.773 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.819 9.573 1.383 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -13.383 9.695 3.781 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.813 9.037 4.200 1.00 0.00 H new ATOM 909 N PRO A 63 -14.101 7.583 0.019 1.00 0.00 N ATOM 910 CA PRO A 63 -14.438 7.223 -1.363 1.00 0.00 C ATOM 911 C PRO A 63 -13.305 7.525 -2.337 1.00 0.00 C ATOM 912 O PRO A 63 -12.701 8.597 -2.292 1.00 0.00 O ATOM 913 CB PRO A 63 -15.655 8.099 -1.678 1.00 0.00 C ATOM 914 CG PRO A 63 -16.239 8.435 -0.350 1.00 0.00 C ATOM 915 CD PRO A 63 -15.077 8.523 0.599 1.00 0.00 C ATOM 0 HA PRO A 63 -14.626 6.154 -1.465 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -15.365 8.998 -2.221 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -16.373 7.568 -2.303 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.783 9.378 -0.390 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -16.948 7.671 -0.030 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.678 9.536 0.655 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.361 8.236 1.612 1.00 0.00 H new ATOM 923 N LEU A 64 -13.024 6.572 -3.220 1.00 0.00 N ATOM 924 CA LEU A 64 -11.968 6.736 -4.214 1.00 0.00 C ATOM 925 C LEU A 64 -10.621 7.010 -3.550 1.00 0.00 C ATOM 926 O LEU A 64 -9.733 7.611 -4.155 1.00 0.00 O ATOM 927 CB LEU A 64 -12.318 7.875 -5.172 1.00 0.00 C ATOM 928 CG LEU A 64 -13.752 7.856 -5.703 1.00 0.00 C ATOM 929 CD1 LEU A 64 -14.174 9.246 -6.154 1.00 0.00 C ATOM 930 CD2 LEU A 64 -13.882 6.861 -6.846 1.00 0.00 C ATOM 0 H LEU A 64 -13.513 5.678 -3.268 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.888 5.805 -4.775 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.148 8.823 -4.662 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.633 7.841 -6.019 1.00 0.00 H new ATOM 0 HG LEU A 64 -14.414 7.543 -4.896 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.197 9.212 -6.529 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -14.119 9.934 -5.311 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -13.509 9.589 -6.946 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -14.909 6.860 -7.212 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.208 7.145 -7.654 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.622 5.864 -6.491 1.00 0.00 H new ATOM 942 N LYS A 65 -10.472 6.565 -2.306 1.00 0.00 N ATOM 943 CA LYS A 65 -9.229 6.766 -1.569 1.00 0.00 C ATOM 944 C LYS A 65 -8.587 5.430 -1.210 1.00 0.00 C ATOM 945 O LYS A 65 -7.900 5.313 -0.195 1.00 0.00 O ATOM 946 CB LYS A 65 -9.489 7.579 -0.298 1.00 0.00 C ATOM 947 CG LYS A 65 -10.141 8.927 -0.562 1.00 0.00 C ATOM 948 CD LYS A 65 -9.412 10.052 0.157 1.00 0.00 C ATOM 949 CE LYS A 65 -9.887 11.416 -0.318 1.00 0.00 C ATOM 950 NZ LYS A 65 -11.315 11.659 0.027 1.00 0.00 N ATOM 0 H LYS A 65 -11.194 6.064 -1.788 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.542 7.318 -2.210 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.127 7.000 0.370 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.544 7.737 0.222 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.149 9.124 -1.634 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.181 8.899 -0.235 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.573 9.963 1.231 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.339 9.959 -0.013 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.268 12.192 0.131 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -9.757 11.490 -1.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.585 12.619 -0.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.914 10.964 -0.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.445 11.564 1.054 1.00 0.00 H new ATOM 964 N GLY A 66 -8.815 4.424 -2.049 1.00 0.00 N ATOM 965 CA GLY A 66 -8.252 3.111 -1.803 1.00 0.00 C ATOM 966 C GLY A 66 -8.022 2.329 -3.080 1.00 0.00 C ATOM 967 O GLY A 66 -8.862 2.338 -3.981 1.00 0.00 O ATOM 0 H GLY A 66 -9.380 4.496 -2.895 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.306 3.219 -1.272 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.921 2.549 -1.152 1.00 0.00 H new ATOM 971 N ILE A 67 -6.882 1.653 -3.162 1.00 0.00 N ATOM 972 CA ILE A 67 -6.543 0.864 -4.339 1.00 0.00 C ATOM 973 C ILE A 67 -5.653 -0.319 -3.970 1.00 0.00 C ATOM 974 O ILE A 67 -4.942 -0.283 -2.965 1.00 0.00 O ATOM 975 CB ILE A 67 -5.832 1.722 -5.405 1.00 0.00 C ATOM 976 CG1 ILE A 67 -5.572 0.900 -6.669 1.00 0.00 C ATOM 977 CG2 ILE A 67 -4.530 2.284 -4.855 1.00 0.00 C ATOM 978 CD1 ILE A 67 -4.979 1.706 -7.804 1.00 0.00 C ATOM 0 H ILE A 67 -6.176 1.636 -2.426 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.480 0.492 -4.753 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.483 2.556 -5.666 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.897 0.079 -6.426 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -6.509 0.454 -7.002 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.042 2.887 -5.621 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -4.741 2.905 -3.984 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.873 1.464 -4.565 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.822 1.059 -8.667 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.662 2.511 -8.074 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.025 2.130 -7.490 1.00 0.00 H new ATOM 990 N PHE A 68 -5.698 -1.366 -4.787 1.00 0.00 N ATOM 991 CA PHE A 68 -4.897 -2.560 -4.545 1.00 0.00 C ATOM 992 C PHE A 68 -3.925 -2.805 -5.694 1.00 0.00 C ATOM 993 O PHE A 68 -4.313 -2.792 -6.863 1.00 0.00 O ATOM 994 CB PHE A 68 -5.802 -3.778 -4.358 1.00 0.00 C ATOM 995 CG PHE A 68 -6.177 -4.033 -2.926 1.00 0.00 C ATOM 996 CD1 PHE A 68 -5.261 -4.583 -2.044 1.00 0.00 C ATOM 997 CD2 PHE A 68 -7.445 -3.720 -2.462 1.00 0.00 C ATOM 998 CE1 PHE A 68 -5.603 -4.818 -0.726 1.00 0.00 C ATOM 999 CE2 PHE A 68 -7.793 -3.954 -1.145 1.00 0.00 C ATOM 1000 CZ PHE A 68 -6.871 -4.503 -0.276 1.00 0.00 C ATOM 0 H PHE A 68 -6.281 -1.412 -5.623 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.321 -2.402 -3.633 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -6.711 -3.639 -4.944 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.298 -4.659 -4.756 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -4.269 -4.831 -2.390 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -8.169 -3.288 -3.137 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -4.880 -5.247 -0.048 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -8.785 -3.708 -0.796 1.00 0.00 H new ATOM 0 HZ PHE A 68 -7.140 -4.686 0.754 1.00 0.00 H new ATOM 1010 N THR A 69 -2.660 -3.029 -5.356 1.00 0.00 N ATOM 1011 CA THR A 69 -1.632 -3.277 -6.360 1.00 0.00 C ATOM 1012 C THR A 69 -0.477 -4.078 -5.767 1.00 0.00 C ATOM 1013 O THR A 69 -0.146 -3.932 -4.590 1.00 0.00 O ATOM 1014 CB THR A 69 -1.111 -1.954 -6.925 1.00 0.00 C ATOM 1015 OG1 THR A 69 -0.148 -2.186 -7.936 1.00 0.00 O ATOM 1016 CG2 THR A 69 -0.474 -1.065 -5.878 1.00 0.00 C ATOM 0 H THR A 69 -2.322 -3.044 -4.394 1.00 0.00 H new ATOM 0 HA THR A 69 -2.079 -3.858 -7.167 1.00 0.00 H new ATOM 0 HB THR A 69 -1.988 -1.445 -7.325 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.172 -1.328 -8.286 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.126 -0.144 -6.346 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.208 -0.826 -5.108 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.371 -1.584 -5.426 1.00 0.00 H new ATOM 1024 N ARG A 70 0.132 -4.927 -6.589 1.00 0.00 N ATOM 1025 CA ARG A 70 1.248 -5.751 -6.146 1.00 0.00 C ATOM 1026 C ARG A 70 2.420 -4.881 -5.690 1.00 0.00 C ATOM 1027 O ARG A 70 2.772 -3.907 -6.356 1.00 0.00 O ATOM 1028 CB ARG A 70 1.700 -6.684 -7.272 1.00 0.00 C ATOM 1029 CG ARG A 70 0.677 -7.754 -7.621 1.00 0.00 C ATOM 1030 CD ARG A 70 1.291 -9.145 -7.596 1.00 0.00 C ATOM 1031 NE ARG A 70 0.294 -10.179 -7.334 1.00 0.00 N ATOM 1032 CZ ARG A 70 -0.541 -10.656 -8.255 1.00 0.00 C ATOM 1033 NH1 ARG A 70 -0.500 -10.197 -9.499 1.00 0.00 N ATOM 1034 NH2 ARG A 70 -1.418 -11.597 -7.930 1.00 0.00 N ATOM 0 H ARG A 70 -0.130 -5.061 -7.566 1.00 0.00 H new ATOM 0 HA ARG A 70 0.911 -6.350 -5.300 1.00 0.00 H new ATOM 0 HB2 ARG A 70 1.911 -6.091 -8.162 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.633 -7.166 -6.981 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -0.152 -7.709 -6.915 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.265 -7.555 -8.610 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.777 -9.344 -8.551 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.065 -9.186 -6.830 1.00 0.00 H new ATOM 0 HE ARG A 70 0.234 -10.559 -6.389 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.174 -9.475 -9.754 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -1.142 -10.566 -10.200 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.452 -11.954 -6.975 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -2.058 -11.963 -8.635 1.00 0.00 H new ATOM 1048 N PRO A 71 3.043 -5.219 -4.545 1.00 0.00 N ATOM 1049 CA PRO A 71 4.178 -4.455 -4.014 1.00 0.00 C ATOM 1050 C PRO A 71 5.318 -4.342 -5.019 1.00 0.00 C ATOM 1051 O PRO A 71 6.056 -3.356 -5.028 1.00 0.00 O ATOM 1052 CB PRO A 71 4.624 -5.269 -2.794 1.00 0.00 C ATOM 1053 CG PRO A 71 3.430 -6.069 -2.406 1.00 0.00 C ATOM 1054 CD PRO A 71 2.696 -6.363 -3.683 1.00 0.00 C ATOM 0 HA PRO A 71 3.899 -3.428 -3.777 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.469 -5.914 -3.037 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.944 -4.618 -1.981 1.00 0.00 H new ATOM 0 HG2 PRO A 71 3.724 -6.991 -1.904 1.00 0.00 H new ATOM 0 HG3 PRO A 71 2.798 -5.515 -1.711 1.00 0.00 H new ATOM 0 HD2 PRO A 71 3.015 -7.308 -4.122 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.620 -6.433 -3.522 1.00 0.00 H new ATOM 1062 N SER A 72 5.457 -5.359 -5.864 1.00 0.00 N ATOM 1063 CA SER A 72 6.510 -5.376 -6.874 1.00 0.00 C ATOM 1064 C SER A 72 6.413 -4.156 -7.785 1.00 0.00 C ATOM 1065 O SER A 72 7.423 -3.656 -8.281 1.00 0.00 O ATOM 1066 CB SER A 72 6.425 -6.656 -7.706 1.00 0.00 C ATOM 1067 OG SER A 72 7.717 -7.147 -8.020 1.00 0.00 O ATOM 0 H SER A 72 4.854 -6.182 -5.870 1.00 0.00 H new ATOM 0 HA SER A 72 7.471 -5.346 -6.361 1.00 0.00 H new ATOM 0 HB2 SER A 72 5.868 -7.415 -7.156 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.874 -6.460 -8.626 1.00 0.00 H new ATOM 0 HG SER A 72 7.635 -7.967 -8.551 1.00 0.00 H new ATOM 1073 N LYS A 73 5.191 -3.680 -8.001 1.00 0.00 N ATOM 1074 CA LYS A 73 4.962 -2.519 -8.852 1.00 0.00 C ATOM 1075 C LYS A 73 4.777 -1.259 -8.014 1.00 0.00 C ATOM 1076 O LYS A 73 3.990 -0.378 -8.363 1.00 0.00 O ATOM 1077 CB LYS A 73 3.734 -2.742 -9.737 1.00 0.00 C ATOM 1078 CG LYS A 73 3.801 -4.019 -10.559 1.00 0.00 C ATOM 1079 CD LYS A 73 4.471 -3.781 -11.904 1.00 0.00 C ATOM 1080 CE LYS A 73 3.979 -4.764 -12.953 1.00 0.00 C ATOM 1081 NZ LYS A 73 4.136 -6.176 -12.509 1.00 0.00 N ATOM 0 H LYS A 73 4.344 -4.081 -7.598 1.00 0.00 H new ATOM 0 HA LYS A 73 5.838 -2.387 -9.486 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.844 -2.770 -9.109 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.622 -1.892 -10.410 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.352 -4.780 -10.006 1.00 0.00 H new ATOM 0 HG3 LYS A 73 2.794 -4.405 -10.716 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.271 -2.762 -12.236 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.552 -3.874 -11.795 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.929 -4.567 -13.171 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.531 -4.612 -13.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.000 -6.812 -13.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.090 -6.313 -12.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.428 -6.391 -11.778 1.00 0.00 H new ATOM 1095 N LEU A 74 5.506 -1.179 -6.905 1.00 0.00 N ATOM 1096 CA LEU A 74 5.422 -0.026 -6.016 1.00 0.00 C ATOM 1097 C LEU A 74 6.799 0.594 -5.798 1.00 0.00 C ATOM 1098 O LEU A 74 7.823 -0.030 -6.078 1.00 0.00 O ATOM 1099 CB LEU A 74 4.817 -0.436 -4.672 1.00 0.00 C ATOM 1100 CG LEU A 74 3.328 -0.786 -4.713 1.00 0.00 C ATOM 1101 CD1 LEU A 74 2.833 -1.176 -3.330 1.00 0.00 C ATOM 1102 CD2 LEU A 74 2.522 0.382 -5.261 1.00 0.00 C ATOM 0 H LEU A 74 6.161 -1.899 -6.601 1.00 0.00 H new ATOM 0 HA LEU A 74 4.778 0.718 -6.486 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.367 -1.296 -4.291 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.964 0.377 -3.961 1.00 0.00 H new ATOM 0 HG LEU A 74 3.192 -1.639 -5.378 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.772 -1.421 -3.379 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.390 -2.043 -2.975 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.981 -0.343 -2.642 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.465 0.116 -5.283 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.663 1.253 -4.622 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.859 0.615 -6.271 1.00 0.00 H new ATOM 1114 N THR A 75 6.816 1.825 -5.299 1.00 0.00 N ATOM 1115 CA THR A 75 8.068 2.530 -5.046 1.00 0.00 C ATOM 1116 C THR A 75 7.928 3.476 -3.858 1.00 0.00 C ATOM 1117 O THR A 75 6.833 3.669 -3.330 1.00 0.00 O ATOM 1118 CB THR A 75 8.498 3.311 -6.288 1.00 0.00 C ATOM 1119 OG1 THR A 75 9.720 3.988 -6.056 1.00 0.00 O ATOM 1120 CG2 THR A 75 7.481 4.340 -6.730 1.00 0.00 C ATOM 0 H THR A 75 5.978 2.355 -5.062 1.00 0.00 H new ATOM 0 HA THR A 75 8.832 1.790 -4.810 1.00 0.00 H new ATOM 0 HB THR A 75 8.602 2.565 -7.076 1.00 0.00 H new ATOM 0 HG1 THR A 75 10.388 3.352 -5.725 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.849 4.858 -7.616 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.539 3.844 -6.965 1.00 0.00 H new ATOM 0 HG23 THR A 75 7.321 5.061 -5.928 1.00 0.00 H new ATOM 1128 N ARG A 76 9.044 4.065 -3.442 1.00 0.00 N ATOM 1129 CA ARG A 76 9.047 4.992 -2.316 1.00 0.00 C ATOM 1130 C ARG A 76 9.397 6.405 -2.775 1.00 0.00 C ATOM 1131 O ARG A 76 10.569 6.743 -2.940 1.00 0.00 O ATOM 1132 CB ARG A 76 10.039 4.525 -1.247 1.00 0.00 C ATOM 1133 CG ARG A 76 9.388 4.215 0.091 1.00 0.00 C ATOM 1134 CD ARG A 76 10.427 4.002 1.181 1.00 0.00 C ATOM 1135 NE ARG A 76 9.922 4.379 2.499 1.00 0.00 N ATOM 1136 CZ ARG A 76 10.653 4.341 3.611 1.00 0.00 C ATOM 1137 NH1 ARG A 76 11.919 3.944 3.569 1.00 0.00 N ATOM 1138 NH2 ARG A 76 10.116 4.703 4.769 1.00 0.00 N ATOM 0 H ARG A 76 9.959 3.917 -3.868 1.00 0.00 H new ATOM 0 HA ARG A 76 8.045 5.009 -1.887 1.00 0.00 H new ATOM 0 HB2 ARG A 76 10.555 3.634 -1.606 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.796 5.296 -1.104 1.00 0.00 H new ATOM 0 HG2 ARG A 76 8.726 5.034 0.373 1.00 0.00 H new ATOM 0 HG3 ARG A 76 8.769 3.323 -0.002 1.00 0.00 H new ATOM 0 HD2 ARG A 76 10.729 2.955 1.194 1.00 0.00 H new ATOM 0 HD3 ARG A 76 11.317 4.588 0.953 1.00 0.00 H new ATOM 0 HE ARG A 76 8.953 4.689 2.571 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.337 3.666 2.681 1.00 0.00 H new ATOM 0 HH12 ARG A 76 12.474 3.917 4.425 1.00 0.00 H new ATOM 0 HH21 ARG A 76 9.144 5.010 4.807 1.00 0.00 H new ATOM 0 HH22 ARG A 76 10.675 4.674 5.622 1.00 0.00 H new ATOM 1152 N LYS A 77 8.372 7.226 -2.979 1.00 0.00 N ATOM 1153 CA LYS A 77 8.569 8.602 -3.418 1.00 0.00 C ATOM 1154 C LYS A 77 9.281 8.646 -4.767 1.00 0.00 C ATOM 1155 O LYS A 77 9.867 7.655 -5.202 1.00 0.00 O ATOM 1156 CB LYS A 77 9.373 9.383 -2.377 1.00 0.00 C ATOM 1157 CG LYS A 77 8.903 10.818 -2.198 1.00 0.00 C ATOM 1158 CD LYS A 77 9.868 11.616 -1.338 1.00 0.00 C ATOM 1159 CE LYS A 77 9.514 11.517 0.137 1.00 0.00 C ATOM 1160 NZ LYS A 77 10.149 12.601 0.936 1.00 0.00 N ATOM 0 H LYS A 77 7.396 6.962 -2.847 1.00 0.00 H new ATOM 0 HA LYS A 77 7.589 9.065 -3.530 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.310 8.867 -1.419 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.423 9.387 -2.669 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.804 11.294 -3.174 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.914 10.824 -1.739 1.00 0.00 H new ATOM 0 HD2 LYS A 77 10.883 11.251 -1.495 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.853 12.661 -1.647 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.431 11.567 0.254 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.832 10.548 0.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 9.882 12.497 1.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.183 12.539 0.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 9.826 13.525 0.586 1.00 0.00 H new