USER MOD reduce.3.24.130724 H: found=0, std=0, add=650, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 651 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: X 16 LYS NZ :NH3+ -140:sc= -1.59 (180deg=-2.78!) USER MOD Set 1.2: X 20 LYS NZ :NH3+ 173:sc= -0.585 (180deg=0) USER MOD Set 2.1: X 8 HIS : no HE2:sc= 0.671 K(o=1.6,f=-2.4) USER MOD Set 2.2: X 39 LYS NZ :NH3+ -174:sc= 0.914 (180deg=0) USER MOD Single : X 6 SER OG : rot -43:sc= 0.211 USER MOD Single : X 7 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.51) USER MOD Single : X 11 TYR OH : rot 180:sc= 0 USER MOD Single : X 14 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : X 17 GLN : amide:sc= -0.219 K(o=-0.22,f=-1.4) USER MOD Single : X 21 THR OG1 : rot -61:sc= 0.457 USER MOD Single : X 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 28 TYR OH : rot 180:sc= -1.34 USER MOD Single : X 33 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.16) USER MOD Single : X 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 62 CYS SG : rot 93:sc= 0.916 USER MOD Single : X 64 GLN : amide:sc= -6.53! C(o=-6.5!,f=-6.2!) USER MOD Single : X 66 TYR OH : rot 180:sc= 0 USER MOD Single : X 67 TYR OH : rot 180:sc= 0 USER MOD Single : X 68 ASN : amide:sc= -1.76! C(o=-1.8!,f=-4.6!) USER MOD Single : X 69 THR OG1 : rot 98:sc= 1.29 USER MOD Single : X 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : X 78 THR OG1 : rot 180:sc= -0.0363 USER MOD Single : X 81 SER OG : rot 180:sc= 0 USER MOD Single : X 82 TYR OH : rot 180:sc= -4.19! USER MOD Single : X 84 ASN : amide:sc= -0.181 K(o=-0.18,f=-1.8!) USER MOD Single : X 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 78 N SER X 6 68.744 1.376 -9.555 1.00 1.00 N ATOM 79 CA SER X 6 69.289 2.654 -9.116 1.00 1.00 C ATOM 80 C SER X 6 70.761 2.771 -9.495 1.00 1.00 C ATOM 81 O SER X 6 71.392 1.789 -9.887 1.00 1.00 O ATOM 82 CB SER X 6 69.138 2.791 -7.602 1.00 1.00 C ATOM 83 OG SER X 6 69.671 1.634 -6.972 1.00 1.00 O ATOM 0 HA SER X 6 68.736 3.452 -9.611 1.00 1.00 H new ATOM 0 HB2 SER X 6 69.658 3.682 -7.252 1.00 1.00 H new ATOM 0 HB3 SER X 6 68.087 2.911 -7.339 1.00 1.00 H new ATOM 0 HG SER X 6 69.386 0.834 -7.461 1.00 1.00 H new ATOM 89 N GLN X 7 71.304 3.976 -9.375 1.00 1.00 N ATOM 90 CA GLN X 7 72.706 4.209 -9.705 1.00 1.00 C ATOM 91 C GLN X 7 73.618 3.439 -8.754 1.00 1.00 C ATOM 92 O GLN X 7 74.732 3.063 -9.118 1.00 1.00 O ATOM 93 CB GLN X 7 73.021 5.705 -9.614 1.00 1.00 C ATOM 94 CG GLN X 7 72.202 6.467 -10.658 1.00 1.00 C ATOM 95 CD GLN X 7 72.650 6.075 -12.062 1.00 1.00 C ATOM 96 OE1 GLN X 7 73.848 6.030 -12.342 1.00 1.00 O ATOM 97 NE2 GLN X 7 71.755 5.786 -12.967 1.00 1.00 N ATOM 0 H GLN X 7 70.800 4.802 -9.054 1.00 1.00 H new ATOM 0 HA GLN X 7 72.882 3.859 -10.722 1.00 1.00 H new ATOM 0 HB2 GLN X 7 72.790 6.075 -8.615 1.00 1.00 H new ATOM 0 HB3 GLN X 7 74.085 5.873 -9.778 1.00 1.00 H new ATOM 0 HG2 GLN X 7 71.142 6.247 -10.531 1.00 1.00 H new ATOM 0 HG3 GLN X 7 72.324 7.541 -10.515 1.00 1.00 H new ATOM 0 HE21 GLN X 7 70.763 5.824 -12.733 1.00 1.00 H new ATOM 0 HE22 GLN X 7 72.048 5.522 -13.908 1.00 1.00 H new ATOM 106 N HIS X 8 73.143 3.213 -7.534 1.00 1.00 N ATOM 107 CA HIS X 8 73.933 2.497 -6.538 1.00 1.00 C ATOM 108 C HIS X 8 74.181 1.062 -6.985 1.00 1.00 C ATOM 109 O HIS X 8 75.281 0.533 -6.823 1.00 1.00 O ATOM 110 CB HIS X 8 73.201 2.495 -5.193 1.00 1.00 C ATOM 111 CG HIS X 8 73.183 3.889 -4.629 1.00 1.00 C ATOM 112 ND1 HIS X 8 72.352 4.877 -5.133 1.00 1.00 N ATOM 113 CD2 HIS X 8 73.884 4.477 -3.605 1.00 1.00 C ATOM 114 CE1 HIS X 8 72.571 5.996 -4.419 1.00 1.00 C ATOM 115 NE2 HIS X 8 73.495 5.807 -3.474 1.00 1.00 N ATOM 0 H HIS X 8 72.222 3.512 -7.212 1.00 1.00 H new ATOM 0 HA HIS X 8 74.892 3.004 -6.429 1.00 1.00 H new ATOM 0 HB2 HIS X 8 72.182 2.130 -5.322 1.00 1.00 H new ATOM 0 HB3 HIS X 8 73.696 1.817 -4.498 1.00 1.00 H new ATOM 0 HD1 HIS X 8 71.694 4.774 -5.905 1.00 1.00 H new ATOM 0 HD2 HIS X 8 74.625 3.983 -2.994 1.00 1.00 H new ATOM 0 HE1 HIS X 8 72.062 6.933 -4.589 1.00 1.00 H new ATOM 123 N GLU X 9 73.153 0.435 -7.548 1.00 1.00 N ATOM 124 CA GLU X 9 73.275 -0.941 -8.013 1.00 1.00 C ATOM 125 C GLU X 9 74.260 -1.028 -9.175 1.00 1.00 C ATOM 126 O GLU X 9 75.146 -1.880 -9.185 1.00 1.00 O ATOM 127 CB GLU X 9 71.910 -1.459 -8.462 1.00 1.00 C ATOM 128 CG GLU X 9 70.978 -1.567 -7.255 1.00 1.00 C ATOM 129 CD GLU X 9 69.602 -2.054 -7.698 1.00 1.00 C ATOM 130 OE1 GLU X 9 69.452 -2.360 -8.870 1.00 1.00 O ATOM 131 OE2 GLU X 9 68.719 -2.116 -6.859 1.00 1.00 O ATOM 0 H GLU X 9 72.234 0.854 -7.692 1.00 1.00 H new ATOM 0 HA GLU X 9 73.646 -1.553 -7.191 1.00 1.00 H new ATOM 0 HB2 GLU X 9 71.482 -0.787 -9.205 1.00 1.00 H new ATOM 0 HB3 GLU X 9 72.019 -2.433 -8.938 1.00 1.00 H new ATOM 0 HG2 GLU X 9 71.398 -2.256 -6.522 1.00 1.00 H new ATOM 0 HG3 GLU X 9 70.889 -0.597 -6.766 1.00 1.00 H new ATOM 138 N ARG X 10 74.097 -0.142 -10.154 1.00 1.00 N ATOM 139 CA ARG X 10 74.974 -0.128 -11.315 1.00 1.00 C ATOM 140 C ARG X 10 76.408 0.181 -10.899 1.00 1.00 C ATOM 141 O ARG X 10 77.359 -0.347 -11.474 1.00 1.00 O ATOM 142 CB ARG X 10 74.493 0.921 -12.319 1.00 1.00 C ATOM 143 CG ARG X 10 73.168 0.470 -12.933 1.00 1.00 C ATOM 144 CD ARG X 10 72.683 1.521 -13.935 1.00 1.00 C ATOM 145 NE ARG X 10 71.420 1.103 -14.534 1.00 1.00 N ATOM 146 CZ ARG X 10 71.395 0.266 -15.566 1.00 1.00 C ATOM 147 NH1 ARG X 10 72.511 -0.199 -16.056 1.00 1.00 N ATOM 148 NH2 ARG X 10 70.254 -0.090 -16.089 1.00 1.00 N ATOM 0 H ARG X 10 73.368 0.572 -10.164 1.00 1.00 H new ATOM 0 HA ARG X 10 74.948 -1.114 -11.780 1.00 1.00 H new ATOM 0 HB2 ARG X 10 74.367 1.883 -11.823 1.00 1.00 H new ATOM 0 HB3 ARG X 10 75.239 1.060 -13.101 1.00 1.00 H new ATOM 0 HG2 ARG X 10 73.295 -0.491 -13.431 1.00 1.00 H new ATOM 0 HG3 ARG X 10 72.423 0.327 -12.151 1.00 1.00 H new ATOM 0 HD2 ARG X 10 72.556 2.480 -13.433 1.00 1.00 H new ATOM 0 HD3 ARG X 10 73.433 1.665 -14.713 1.00 1.00 H new ATOM 0 HE ARG X 10 70.542 1.459 -14.155 1.00 1.00 H new ATOM 0 HH11 ARG X 10 73.403 0.080 -15.647 1.00 1.00 H new ATOM 0 HH12 ARG X 10 72.492 -0.841 -16.848 1.00 1.00 H new ATOM 0 HH21 ARG X 10 69.382 0.274 -15.706 1.00 1.00 H new ATOM 0 HH22 ARG X 10 70.234 -0.732 -16.881 1.00 1.00 H new ATOM 162 N TYR X 11 76.556 1.045 -9.899 1.00 1.00 N ATOM 163 CA TYR X 11 77.882 1.422 -9.420 1.00 1.00 C ATOM 164 C TYR X 11 78.650 0.194 -8.940 1.00 1.00 C ATOM 165 O TYR X 11 79.804 -0.017 -9.312 1.00 1.00 O ATOM 166 CB TYR X 11 77.751 2.425 -8.273 1.00 1.00 C ATOM 167 CG TYR X 11 79.118 2.724 -7.707 1.00 1.00 C ATOM 168 CD1 TYR X 11 80.018 3.514 -8.433 1.00 1.00 C ATOM 169 CD2 TYR X 11 79.487 2.211 -6.458 1.00 1.00 C ATOM 170 CE1 TYR X 11 81.287 3.790 -7.910 1.00 1.00 C ATOM 171 CE2 TYR X 11 80.756 2.487 -5.935 1.00 1.00 C ATOM 172 CZ TYR X 11 81.656 3.277 -6.660 1.00 1.00 C ATOM 173 OH TYR X 11 82.907 3.548 -6.145 1.00 1.00 O ATOM 0 H TYR X 11 75.782 1.494 -9.409 1.00 1.00 H new ATOM 0 HA TYR X 11 78.431 1.878 -10.244 1.00 1.00 H new ATOM 0 HB2 TYR X 11 77.285 3.343 -8.630 1.00 1.00 H new ATOM 0 HB3 TYR X 11 77.104 2.021 -7.495 1.00 1.00 H new ATOM 0 HD1 TYR X 11 79.733 3.910 -9.396 1.00 1.00 H new ATOM 0 HD2 TYR X 11 78.793 1.602 -5.898 1.00 1.00 H new ATOM 0 HE1 TYR X 11 81.981 4.398 -8.470 1.00 1.00 H new ATOM 0 HE2 TYR X 11 81.041 2.090 -4.972 1.00 1.00 H new ATOM 0 HH TYR X 11 83.001 3.118 -5.270 1.00 1.00 H new ATOM 183 N VAL X 12 78.000 -0.617 -8.120 1.00 1.00 N ATOM 184 CA VAL X 12 78.629 -1.826 -7.605 1.00 1.00 C ATOM 185 C VAL X 12 78.981 -2.770 -8.746 1.00 1.00 C ATOM 186 O VAL X 12 80.078 -3.319 -8.788 1.00 1.00 O ATOM 187 CB VAL X 12 77.687 -2.532 -6.622 1.00 1.00 C ATOM 188 CG1 VAL X 12 77.934 -4.044 -6.653 1.00 1.00 C ATOM 189 CG2 VAL X 12 77.946 -2.012 -5.207 1.00 1.00 C ATOM 0 H VAL X 12 77.044 -0.463 -7.798 1.00 1.00 H new ATOM 0 HA VAL X 12 79.545 -1.544 -7.085 1.00 1.00 H new ATOM 0 HB VAL X 12 76.656 -2.328 -6.910 1.00 1.00 H new ATOM 0 HG11 VAL X 12 77.261 -4.537 -5.952 1.00 1.00 H new ATOM 0 HG12 VAL X 12 77.751 -4.422 -7.659 1.00 1.00 H new ATOM 0 HG13 VAL X 12 78.966 -4.250 -6.370 1.00 1.00 H new ATOM 0 HG21 VAL X 12 77.277 -2.513 -4.507 1.00 1.00 H new ATOM 0 HG22 VAL X 12 78.980 -2.214 -4.929 1.00 1.00 H new ATOM 0 HG23 VAL X 12 77.765 -0.938 -5.176 1.00 1.00 H new ATOM 199 N GLU X 13 78.038 -2.968 -9.656 1.00 1.00 N ATOM 200 CA GLU X 13 78.261 -3.863 -10.788 1.00 1.00 C ATOM 201 C GLU X 13 79.586 -3.539 -11.471 1.00 1.00 C ATOM 202 O GLU X 13 80.330 -4.440 -11.876 1.00 1.00 O ATOM 203 CB GLU X 13 77.115 -3.722 -11.792 1.00 1.00 C ATOM 204 CG GLU X 13 75.833 -4.319 -11.204 1.00 1.00 C ATOM 205 CD GLU X 13 75.964 -5.834 -11.102 1.00 1.00 C ATOM 206 OE1 GLU X 13 76.794 -6.384 -11.808 1.00 1.00 O ATOM 207 OE2 GLU X 13 75.230 -6.425 -10.326 1.00 1.00 O ATOM 0 H GLU X 13 77.119 -2.527 -9.636 1.00 1.00 H new ATOM 0 HA GLU X 13 78.298 -4.889 -10.421 1.00 1.00 H new ATOM 0 HB2 GLU X 13 76.959 -2.671 -12.035 1.00 1.00 H new ATOM 0 HB3 GLU X 13 77.370 -4.230 -12.722 1.00 1.00 H new ATOM 0 HG2 GLU X 13 75.643 -3.895 -10.218 1.00 1.00 H new ATOM 0 HG3 GLU X 13 74.980 -4.061 -11.832 1.00 1.00 H new ATOM 214 N GLN X 14 79.885 -2.250 -11.585 1.00 1.00 N ATOM 215 CA GLN X 14 81.132 -1.824 -12.213 1.00 1.00 C ATOM 216 C GLN X 14 82.328 -2.303 -11.402 1.00 1.00 C ATOM 217 O GLN X 14 83.269 -2.880 -11.949 1.00 1.00 O ATOM 218 CB GLN X 14 81.163 -0.298 -12.324 1.00 1.00 C ATOM 219 CG GLN X 14 80.114 0.167 -13.335 1.00 1.00 C ATOM 220 CD GLN X 14 80.114 1.689 -13.425 1.00 1.00 C ATOM 221 OE1 GLN X 14 81.175 2.306 -13.516 1.00 1.00 O ATOM 222 NE2 GLN X 14 78.980 2.335 -13.406 1.00 1.00 N ATOM 0 H GLN X 14 79.290 -1.490 -11.256 1.00 1.00 H new ATOM 0 HA GLN X 14 81.186 -2.261 -13.210 1.00 1.00 H new ATOM 0 HB2 GLN X 14 80.968 0.151 -11.350 1.00 1.00 H new ATOM 0 HB3 GLN X 14 82.154 0.034 -12.635 1.00 1.00 H new ATOM 0 HG2 GLN X 14 80.325 -0.263 -14.314 1.00 1.00 H new ATOM 0 HG3 GLN X 14 79.127 -0.188 -13.037 1.00 1.00 H new ATOM 0 HE21 GLN X 14 78.102 1.822 -13.331 1.00 1.00 H new ATOM 0 HE22 GLN X 14 78.972 3.353 -13.467 1.00 1.00 H new ATOM 231 N LEU X 15 82.275 -2.080 -10.097 1.00 1.00 N ATOM 232 CA LEU X 15 83.350 -2.509 -9.213 1.00 1.00 C ATOM 233 C LEU X 15 83.439 -4.028 -9.201 1.00 1.00 C ATOM 234 O LEU X 15 84.505 -4.589 -9.019 1.00 1.00 O ATOM 235 CB LEU X 15 83.108 -1.999 -7.793 1.00 1.00 C ATOM 236 CG LEU X 15 82.882 -0.484 -7.830 1.00 1.00 C ATOM 237 CD1 LEU X 15 82.617 0.029 -6.414 1.00 1.00 C ATOM 238 CD2 LEU X 15 84.127 0.206 -8.396 1.00 1.00 C ATOM 0 H LEU X 15 81.503 -1.607 -9.628 1.00 1.00 H new ATOM 0 HA LEU X 15 84.288 -2.095 -9.583 1.00 1.00 H new ATOM 0 HB2 LEU X 15 82.241 -2.497 -7.358 1.00 1.00 H new ATOM 0 HB3 LEU X 15 83.963 -2.235 -7.159 1.00 1.00 H new ATOM 0 HG LEU X 15 82.023 -0.263 -8.464 1.00 1.00 H new ATOM 0 HD11 LEU X 15 82.456 1.107 -6.442 1.00 1.00 H new ATOM 0 HD12 LEU X 15 81.730 -0.460 -6.010 1.00 1.00 H new ATOM 0 HD13 LEU X 15 83.475 -0.194 -5.780 1.00 1.00 H new ATOM 0 HD21 LEU X 15 83.966 1.284 -8.422 1.00 1.00 H new ATOM 0 HD22 LEU X 15 84.986 -0.017 -7.763 1.00 1.00 H new ATOM 0 HD23 LEU X 15 84.317 -0.157 -9.406 1.00 1.00 H new ATOM 250 N LYS X 16 82.305 -4.687 -9.371 1.00 1.00 N ATOM 251 CA LYS X 16 82.272 -6.144 -9.356 1.00 1.00 C ATOM 252 C LYS X 16 83.224 -6.711 -10.405 1.00 1.00 C ATOM 253 O LYS X 16 83.975 -7.648 -10.129 1.00 1.00 O ATOM 254 CB LYS X 16 80.854 -6.633 -9.665 1.00 1.00 C ATOM 255 CG LYS X 16 80.657 -8.038 -9.094 1.00 1.00 C ATOM 256 CD LYS X 16 79.217 -8.489 -9.333 1.00 1.00 C ATOM 257 CE LYS X 16 78.961 -9.800 -8.583 1.00 1.00 C ATOM 258 NZ LYS X 16 79.947 -10.828 -9.025 1.00 1.00 N ATOM 0 H LYS X 16 81.399 -4.242 -9.520 1.00 1.00 H new ATOM 0 HA LYS X 16 82.579 -6.484 -8.367 1.00 1.00 H new ATOM 0 HB2 LYS X 16 80.122 -5.950 -9.235 1.00 1.00 H new ATOM 0 HB3 LYS X 16 80.689 -6.641 -10.742 1.00 1.00 H new ATOM 0 HG2 LYS X 16 81.350 -8.734 -9.566 1.00 1.00 H new ATOM 0 HG3 LYS X 16 80.878 -8.042 -8.027 1.00 1.00 H new ATOM 0 HD2 LYS X 16 78.523 -7.721 -8.992 1.00 1.00 H new ATOM 0 HD3 LYS X 16 79.040 -8.627 -10.400 1.00 1.00 H new ATOM 0 HE2 LYS X 16 79.045 -9.639 -7.508 1.00 1.00 H new ATOM 0 HE3 LYS X 16 77.946 -10.148 -8.774 1.00 1.00 H new ATOM 0 HZ1 LYS X 16 79.472 -11.749 -9.114 1.00 1.00 H new ATOM 0 HZ2 LYS X 16 80.346 -10.553 -9.945 1.00 1.00 H new ATOM 0 HZ3 LYS X 16 80.712 -10.899 -8.324 1.00 1.00 H new ATOM 272 N GLN X 17 83.185 -6.145 -11.610 1.00 1.00 N ATOM 273 CA GLN X 17 84.056 -6.622 -12.682 1.00 1.00 C ATOM 274 C GLN X 17 85.512 -6.235 -12.416 1.00 1.00 C ATOM 275 O GLN X 17 86.420 -7.068 -12.501 1.00 1.00 O ATOM 276 CB GLN X 17 83.604 -6.027 -14.015 1.00 1.00 C ATOM 277 CG GLN X 17 82.171 -6.473 -14.311 1.00 1.00 C ATOM 278 CD GLN X 17 82.127 -7.976 -14.555 1.00 1.00 C ATOM 279 OE1 GLN X 17 83.087 -8.549 -15.072 1.00 1.00 O ATOM 280 NE2 GLN X 17 81.065 -8.653 -14.216 1.00 1.00 N ATOM 0 H GLN X 17 82.572 -5.371 -11.866 1.00 1.00 H new ATOM 0 HA GLN X 17 83.989 -7.709 -12.721 1.00 1.00 H new ATOM 0 HB2 GLN X 17 83.657 -4.939 -13.977 1.00 1.00 H new ATOM 0 HB3 GLN X 17 84.270 -6.351 -14.815 1.00 1.00 H new ATOM 0 HG2 GLN X 17 81.522 -6.214 -13.475 1.00 1.00 H new ATOM 0 HG3 GLN X 17 81.791 -5.944 -15.185 1.00 1.00 H new ATOM 0 HE21 GLN X 17 80.271 -8.176 -13.788 1.00 1.00 H new ATOM 0 HE22 GLN X 17 81.028 -9.659 -14.379 1.00 1.00 H new ATOM 289 N ALA X 18 85.729 -4.962 -12.100 1.00 1.00 N ATOM 290 CA ALA X 18 87.077 -4.470 -11.833 1.00 1.00 C ATOM 291 C ALA X 18 87.694 -5.198 -10.644 1.00 1.00 C ATOM 292 O ALA X 18 88.813 -5.689 -10.721 1.00 1.00 O ATOM 293 CB ALA X 18 87.036 -2.969 -11.550 1.00 1.00 C ATOM 0 H ALA X 18 84.996 -4.257 -12.023 1.00 1.00 H new ATOM 0 HA ALA X 18 87.691 -4.659 -12.713 1.00 1.00 H new ATOM 0 HB1 ALA X 18 88.045 -2.608 -11.352 1.00 1.00 H new ATOM 0 HB2 ALA X 18 86.628 -2.447 -12.415 1.00 1.00 H new ATOM 0 HB3 ALA X 18 86.406 -2.780 -10.681 1.00 1.00 H new ATOM 299 N LEU X 19 86.959 -5.263 -9.546 1.00 1.00 N ATOM 300 CA LEU X 19 87.445 -5.927 -8.348 1.00 1.00 C ATOM 301 C LEU X 19 87.802 -7.375 -8.638 1.00 1.00 C ATOM 302 O LEU X 19 88.798 -7.890 -8.129 1.00 1.00 O ATOM 303 CB LEU X 19 86.374 -5.873 -7.249 1.00 1.00 C ATOM 304 CG LEU X 19 86.221 -4.442 -6.738 1.00 1.00 C ATOM 305 CD1 LEU X 19 84.960 -4.346 -5.879 1.00 1.00 C ATOM 306 CD2 LEU X 19 87.441 -4.050 -5.895 1.00 1.00 C ATOM 0 H LEU X 19 86.024 -4.864 -9.460 1.00 1.00 H new ATOM 0 HA LEU X 19 88.342 -5.408 -8.011 1.00 1.00 H new ATOM 0 HB2 LEU X 19 85.422 -6.232 -7.640 1.00 1.00 H new ATOM 0 HB3 LEU X 19 86.651 -6.534 -6.427 1.00 1.00 H new ATOM 0 HG LEU X 19 86.144 -3.765 -7.589 1.00 1.00 H new ATOM 0 HD11 LEU X 19 84.847 -3.326 -5.512 1.00 1.00 H new ATOM 0 HD12 LEU X 19 84.090 -4.615 -6.478 1.00 1.00 H new ATOM 0 HD13 LEU X 19 85.043 -5.029 -5.033 1.00 1.00 H new ATOM 0 HD21 LEU X 19 87.322 -3.028 -5.536 1.00 1.00 H new ATOM 0 HD22 LEU X 19 87.528 -4.726 -5.044 1.00 1.00 H new ATOM 0 HD23 LEU X 19 88.342 -4.117 -6.505 1.00 1.00 H new ATOM 318 N LYS X 20 86.992 -8.025 -9.459 1.00 1.00 N ATOM 319 CA LYS X 20 87.238 -9.418 -9.813 1.00 1.00 C ATOM 320 C LYS X 20 88.624 -9.585 -10.421 1.00 1.00 C ATOM 321 O LYS X 20 89.313 -10.571 -10.152 1.00 1.00 O ATOM 322 CB LYS X 20 86.177 -9.901 -10.803 1.00 1.00 C ATOM 323 CG LYS X 20 84.984 -10.477 -10.039 1.00 1.00 C ATOM 324 CD LYS X 20 83.871 -10.832 -11.027 1.00 1.00 C ATOM 325 CE LYS X 20 82.731 -11.530 -10.283 1.00 1.00 C ATOM 326 NZ LYS X 20 81.660 -11.900 -11.251 1.00 1.00 N ATOM 0 H LYS X 20 86.164 -7.616 -9.891 1.00 1.00 H new ATOM 0 HA LYS X 20 87.184 -10.017 -8.904 1.00 1.00 H new ATOM 0 HB2 LYS X 20 85.852 -9.074 -11.435 1.00 1.00 H new ATOM 0 HB3 LYS X 20 86.599 -10.659 -11.463 1.00 1.00 H new ATOM 0 HG2 LYS X 20 85.288 -11.364 -9.483 1.00 1.00 H new ATOM 0 HG3 LYS X 20 84.621 -9.753 -9.310 1.00 1.00 H new ATOM 0 HD2 LYS X 20 83.502 -9.930 -11.515 1.00 1.00 H new ATOM 0 HD3 LYS X 20 84.260 -11.482 -11.811 1.00 1.00 H new ATOM 0 HE2 LYS X 20 83.104 -12.421 -9.778 1.00 1.00 H new ATOM 0 HE3 LYS X 20 82.329 -10.872 -9.513 1.00 1.00 H new ATOM 0 HZ1 LYS X 20 80.941 -12.477 -10.770 1.00 1.00 H new ATOM 0 HZ2 LYS X 20 81.217 -11.037 -11.625 1.00 1.00 H new ATOM 0 HZ3 LYS X 20 82.073 -12.445 -12.035 1.00 1.00 H new ATOM 340 N THR X 21 89.031 -8.618 -11.230 1.00 1.00 N ATOM 341 CA THR X 21 90.346 -8.669 -11.860 1.00 1.00 C ATOM 342 C THR X 21 91.445 -8.393 -10.834 1.00 1.00 C ATOM 343 O THR X 21 92.571 -8.869 -10.974 1.00 1.00 O ATOM 344 CB THR X 21 90.427 -7.638 -12.987 1.00 1.00 C ATOM 345 OG1 THR X 21 90.223 -6.339 -12.455 1.00 1.00 O ATOM 346 CG2 THR X 21 89.352 -7.938 -14.032 1.00 1.00 C ATOM 0 H THR X 21 88.477 -7.795 -11.465 1.00 1.00 H new ATOM 0 HA THR X 21 90.491 -9.668 -12.271 1.00 1.00 H new ATOM 0 HB THR X 21 91.410 -7.688 -13.455 1.00 1.00 H new ATOM 0 HG1 THR X 21 89.335 -6.290 -12.043 1.00 1.00 H new ATOM 0 HG21 THR X 21 89.410 -7.203 -14.835 1.00 1.00 H new ATOM 0 HG22 THR X 21 89.511 -8.936 -14.441 1.00 1.00 H new ATOM 0 HG23 THR X 21 88.368 -7.889 -13.566 1.00 1.00 H new ATOM 354 N ARG X 22 91.113 -7.607 -9.812 1.00 1.00 N ATOM 355 CA ARG X 22 92.078 -7.261 -8.777 1.00 1.00 C ATOM 356 C ARG X 22 92.418 -8.479 -7.930 1.00 1.00 C ATOM 357 O ARG X 22 93.420 -8.488 -7.219 1.00 1.00 O ATOM 358 CB ARG X 22 91.514 -6.154 -7.888 1.00 1.00 C ATOM 359 CG ARG X 22 91.347 -4.878 -8.713 1.00 1.00 C ATOM 360 CD ARG X 22 90.742 -3.777 -7.837 1.00 1.00 C ATOM 361 NE ARG X 22 89.987 -2.835 -8.663 1.00 1.00 N ATOM 362 CZ ARG X 22 89.408 -1.765 -8.127 1.00 1.00 C ATOM 363 NH1 ARG X 22 89.518 -1.537 -6.846 1.00 1.00 N ATOM 364 NH2 ARG X 22 88.729 -0.944 -8.880 1.00 1.00 N ATOM 0 H ARG X 22 90.187 -7.200 -9.681 1.00 1.00 H new ATOM 0 HA ARG X 22 92.989 -6.908 -9.260 1.00 1.00 H new ATOM 0 HB2 ARG X 22 90.554 -6.460 -7.472 1.00 1.00 H new ATOM 0 HB3 ARG X 22 92.183 -5.972 -7.047 1.00 1.00 H new ATOM 0 HG2 ARG X 22 92.312 -4.557 -9.104 1.00 1.00 H new ATOM 0 HG3 ARG X 22 90.703 -5.069 -9.571 1.00 1.00 H new ATOM 0 HD2 ARG X 22 90.088 -4.218 -7.085 1.00 1.00 H new ATOM 0 HD3 ARG X 22 91.533 -3.251 -7.303 1.00 1.00 H new ATOM 0 HE ARG X 22 89.903 -3.002 -9.666 1.00 1.00 H new ATOM 0 HH11 ARG X 22 90.048 -2.180 -6.257 1.00 1.00 H new ATOM 0 HH12 ARG X 22 89.074 -0.716 -6.434 1.00 1.00 H new ATOM 0 HH21 ARG X 22 88.642 -1.123 -9.880 1.00 1.00 H new ATOM 0 HH22 ARG X 22 88.285 -0.123 -8.468 1.00 1.00 H new ATOM 378 N GLY X 23 91.578 -9.507 -8.012 1.00 1.00 N ATOM 379 CA GLY X 23 91.804 -10.728 -7.246 1.00 1.00 C ATOM 380 C GLY X 23 90.821 -10.854 -6.094 1.00 1.00 C ATOM 381 O GLY X 23 91.086 -11.560 -5.121 1.00 1.00 O ATOM 0 H GLY X 23 90.742 -9.519 -8.596 1.00 1.00 H new ATOM 0 HA2 GLY X 23 91.709 -11.593 -7.902 1.00 1.00 H new ATOM 0 HA3 GLY X 23 92.823 -10.732 -6.858 1.00 1.00 H new ATOM 385 N VAL X 24 89.692 -10.163 -6.206 1.00 1.00 N ATOM 386 CA VAL X 24 88.679 -10.202 -5.157 1.00 1.00 C ATOM 387 C VAL X 24 87.428 -10.924 -5.644 1.00 1.00 C ATOM 388 O VAL X 24 86.924 -10.644 -6.727 1.00 1.00 O ATOM 389 CB VAL X 24 88.313 -8.781 -4.739 1.00 1.00 C ATOM 390 CG1 VAL X 24 87.368 -8.831 -3.541 1.00 1.00 C ATOM 391 CG2 VAL X 24 89.579 -8.015 -4.358 1.00 1.00 C ATOM 0 H VAL X 24 89.456 -9.574 -7.005 1.00 1.00 H new ATOM 0 HA VAL X 24 89.088 -10.743 -4.303 1.00 1.00 H new ATOM 0 HB VAL X 24 87.822 -8.275 -5.570 1.00 1.00 H new ATOM 0 HG11 VAL X 24 87.106 -7.816 -3.242 1.00 1.00 H new ATOM 0 HG12 VAL X 24 86.463 -9.374 -3.814 1.00 1.00 H new ATOM 0 HG13 VAL X 24 87.859 -9.339 -2.711 1.00 1.00 H new ATOM 0 HG21 VAL X 24 89.315 -7.000 -4.060 1.00 1.00 H new ATOM 0 HG22 VAL X 24 90.074 -8.520 -3.528 1.00 1.00 H new ATOM 0 HG23 VAL X 24 90.253 -7.978 -5.214 1.00 1.00 H new ATOM 401 N LYS X 25 86.930 -11.852 -4.834 1.00 1.00 N ATOM 402 CA LYS X 25 85.732 -12.608 -5.191 1.00 1.00 C ATOM 403 C LYS X 25 84.691 -12.505 -4.082 1.00 1.00 C ATOM 404 O LYS X 25 84.764 -13.218 -3.082 1.00 1.00 O ATOM 405 CB LYS X 25 86.092 -14.075 -5.423 1.00 1.00 C ATOM 406 CG LYS X 25 86.970 -14.192 -6.670 1.00 1.00 C ATOM 407 CD LYS X 25 87.358 -15.657 -6.885 1.00 1.00 C ATOM 408 CE LYS X 25 88.241 -15.776 -8.129 1.00 1.00 C ATOM 409 NZ LYS X 25 88.605 -17.205 -8.345 1.00 1.00 N ATOM 0 H LYS X 25 87.334 -12.099 -3.930 1.00 1.00 H new ATOM 0 HA LYS X 25 85.316 -12.189 -6.107 1.00 1.00 H new ATOM 0 HB2 LYS X 25 86.618 -14.473 -4.556 1.00 1.00 H new ATOM 0 HB3 LYS X 25 85.186 -14.668 -5.546 1.00 1.00 H new ATOM 0 HG2 LYS X 25 86.435 -13.815 -7.541 1.00 1.00 H new ATOM 0 HG3 LYS X 25 87.865 -13.580 -6.556 1.00 1.00 H new ATOM 0 HD2 LYS X 25 87.890 -16.035 -6.012 1.00 1.00 H new ATOM 0 HD3 LYS X 25 86.463 -16.268 -7.002 1.00 1.00 H new ATOM 0 HE2 LYS X 25 87.714 -15.388 -9.001 1.00 1.00 H new ATOM 0 HE3 LYS X 25 89.142 -15.174 -8.008 1.00 1.00 H new ATOM 0 HZ1 LYS X 25 89.205 -17.286 -9.190 1.00 1.00 H new ATOM 0 HZ2 LYS X 25 89.124 -17.560 -7.517 1.00 1.00 H new ATOM 0 HZ3 LYS X 25 87.740 -17.767 -8.479 1.00 1.00 H new ATOM 423 N VAL X 26 83.728 -11.609 -4.265 1.00 1.00 N ATOM 424 CA VAL X 26 82.676 -11.411 -3.272 1.00 1.00 C ATOM 425 C VAL X 26 81.307 -11.342 -3.939 1.00 1.00 C ATOM 426 O VAL X 26 81.204 -11.146 -5.149 1.00 1.00 O ATOM 427 CB VAL X 26 82.930 -10.119 -2.493 1.00 1.00 C ATOM 428 CG1 VAL X 26 84.232 -10.245 -1.701 1.00 1.00 C ATOM 429 CG2 VAL X 26 83.043 -8.948 -3.474 1.00 1.00 C ATOM 0 H VAL X 26 83.653 -11.010 -5.087 1.00 1.00 H new ATOM 0 HA VAL X 26 82.689 -12.259 -2.588 1.00 1.00 H new ATOM 0 HB VAL X 26 82.103 -9.942 -1.805 1.00 1.00 H new ATOM 0 HG11 VAL X 26 84.411 -9.324 -1.147 1.00 1.00 H new ATOM 0 HG12 VAL X 26 84.154 -11.079 -1.003 1.00 1.00 H new ATOM 0 HG13 VAL X 26 85.060 -10.422 -2.388 1.00 1.00 H new ATOM 0 HG21 VAL X 26 83.224 -8.026 -2.921 1.00 1.00 H new ATOM 0 HG22 VAL X 26 83.870 -9.127 -4.161 1.00 1.00 H new ATOM 0 HG23 VAL X 26 82.115 -8.856 -4.039 1.00 1.00 H new ATOM 439 N LYS X 27 80.256 -11.516 -3.143 1.00 1.00 N ATOM 440 CA LYS X 27 78.900 -11.478 -3.669 1.00 1.00 C ATOM 441 C LYS X 27 78.496 -10.046 -4.004 1.00 1.00 C ATOM 442 O LYS X 27 78.916 -9.100 -3.340 1.00 1.00 O ATOM 443 CB LYS X 27 77.929 -12.053 -2.637 1.00 1.00 C ATOM 444 CG LYS X 27 78.555 -13.278 -1.965 1.00 1.00 C ATOM 445 CD LYS X 27 79.016 -14.271 -3.031 1.00 1.00 C ATOM 446 CE LYS X 27 79.382 -15.600 -2.370 1.00 1.00 C ATOM 447 NZ LYS X 27 79.766 -16.587 -3.418 1.00 1.00 N ATOM 0 H LYS X 27 80.318 -11.683 -2.139 1.00 1.00 H new ATOM 0 HA LYS X 27 78.864 -12.076 -4.579 1.00 1.00 H new ATOM 0 HB2 LYS X 27 77.690 -11.298 -1.888 1.00 1.00 H new ATOM 0 HB3 LYS X 27 76.992 -12.330 -3.120 1.00 1.00 H new ATOM 0 HG2 LYS X 27 79.400 -12.974 -1.348 1.00 1.00 H new ATOM 0 HG3 LYS X 27 77.830 -13.751 -1.302 1.00 1.00 H new ATOM 0 HD2 LYS X 27 78.226 -14.424 -3.766 1.00 1.00 H new ATOM 0 HD3 LYS X 27 79.876 -13.871 -3.567 1.00 1.00 H new ATOM 0 HE2 LYS X 27 80.206 -15.456 -1.671 1.00 1.00 H new ATOM 0 HE3 LYS X 27 78.537 -15.976 -1.793 1.00 1.00 H new ATOM 0 HZ1 LYS X 27 80.015 -17.491 -2.969 1.00 1.00 H new ATOM 0 HZ2 LYS X 27 78.967 -16.732 -4.068 1.00 1.00 H new ATOM 0 HZ3 LYS X 27 80.584 -16.228 -3.950 1.00 1.00 H new ATOM 461 N TYR X 28 77.674 -9.896 -5.034 1.00 1.00 N ATOM 462 CA TYR X 28 77.212 -8.575 -5.446 1.00 1.00 C ATOM 463 C TYR X 28 76.436 -7.897 -4.324 1.00 1.00 C ATOM 464 O TYR X 28 76.648 -6.722 -4.029 1.00 1.00 O ATOM 465 CB TYR X 28 76.318 -8.701 -6.679 1.00 1.00 C ATOM 466 CG TYR X 28 75.028 -7.956 -6.450 1.00 1.00 C ATOM 467 CD1 TYR X 28 75.010 -6.556 -6.463 1.00 1.00 C ATOM 468 CD2 TYR X 28 73.846 -8.669 -6.218 1.00 1.00 C ATOM 469 CE1 TYR X 28 73.810 -5.869 -6.245 1.00 1.00 C ATOM 470 CE2 TYR X 28 72.646 -7.982 -5.999 1.00 1.00 C ATOM 471 CZ TYR X 28 72.628 -6.582 -6.013 1.00 1.00 C ATOM 472 OH TYR X 28 71.445 -5.905 -5.798 1.00 1.00 O ATOM 0 H TYR X 28 77.315 -10.667 -5.597 1.00 1.00 H new ATOM 0 HA TYR X 28 78.084 -7.966 -5.684 1.00 1.00 H new ATOM 0 HB2 TYR X 28 76.830 -8.300 -7.554 1.00 1.00 H new ATOM 0 HB3 TYR X 28 76.111 -9.751 -6.884 1.00 1.00 H new ATOM 0 HD1 TYR X 28 75.922 -6.006 -6.641 1.00 1.00 H new ATOM 0 HD2 TYR X 28 73.860 -9.749 -6.208 1.00 1.00 H new ATOM 0 HE1 TYR X 28 73.796 -4.789 -6.256 1.00 1.00 H new ATOM 0 HE2 TYR X 28 71.734 -8.532 -5.819 1.00 1.00 H new ATOM 0 HH TYR X 28 70.721 -6.549 -5.654 1.00 1.00 H new ATOM 482 N ALA X 29 75.529 -8.643 -3.713 1.00 1.00 N ATOM 483 CA ALA X 29 74.716 -8.105 -2.629 1.00 1.00 C ATOM 484 C ALA X 29 75.599 -7.612 -1.486 1.00 1.00 C ATOM 485 O ALA X 29 75.231 -6.694 -0.760 1.00 1.00 O ATOM 486 CB ALA X 29 73.760 -9.181 -2.103 1.00 1.00 C ATOM 0 H ALA X 29 75.336 -9.617 -3.946 1.00 1.00 H new ATOM 0 HA ALA X 29 74.141 -7.266 -3.020 1.00 1.00 H new ATOM 0 HB1 ALA X 29 73.158 -8.768 -1.294 1.00 1.00 H new ATOM 0 HB2 ALA X 29 73.106 -9.512 -2.910 1.00 1.00 H new ATOM 0 HB3 ALA X 29 74.335 -10.029 -1.731 1.00 1.00 H new ATOM 492 N ASP X 30 76.756 -8.240 -1.319 1.00 1.00 N ATOM 493 CA ASP X 30 77.669 -7.861 -0.244 1.00 1.00 C ATOM 494 C ASP X 30 78.099 -6.403 -0.375 1.00 1.00 C ATOM 495 O ASP X 30 77.985 -5.624 0.568 1.00 1.00 O ATOM 496 CB ASP X 30 78.902 -8.767 -0.273 1.00 1.00 C ATOM 497 CG ASP X 30 79.743 -8.542 0.978 1.00 1.00 C ATOM 498 OD1 ASP X 30 79.480 -7.580 1.681 1.00 1.00 O ATOM 499 OD2 ASP X 30 80.636 -9.338 1.217 1.00 1.00 O ATOM 0 H ASP X 30 77.084 -9.007 -1.907 1.00 1.00 H new ATOM 0 HA ASP X 30 77.147 -7.979 0.706 1.00 1.00 H new ATOM 0 HB2 ASP X 30 78.595 -9.811 -0.332 1.00 1.00 H new ATOM 0 HB3 ASP X 30 79.496 -8.559 -1.163 1.00 1.00 H new ATOM 504 N LEU X 31 78.591 -6.042 -1.548 1.00 1.00 N ATOM 505 CA LEU X 31 79.031 -4.678 -1.798 1.00 1.00 C ATOM 506 C LEU X 31 77.852 -3.719 -1.765 1.00 1.00 C ATOM 507 O LEU X 31 77.970 -2.597 -1.271 1.00 1.00 O ATOM 508 CB LEU X 31 79.735 -4.588 -3.161 1.00 1.00 C ATOM 509 CG LEU X 31 81.045 -5.379 -3.119 1.00 1.00 C ATOM 510 CD1 LEU X 31 81.665 -5.424 -4.515 1.00 1.00 C ATOM 511 CD2 LEU X 31 82.024 -4.714 -2.145 1.00 1.00 C ATOM 0 H LEU X 31 78.696 -6.673 -2.342 1.00 1.00 H new ATOM 0 HA LEU X 31 79.733 -4.397 -1.013 1.00 1.00 H new ATOM 0 HB2 LEU X 31 79.086 -4.982 -3.943 1.00 1.00 H new ATOM 0 HB3 LEU X 31 79.936 -3.546 -3.409 1.00 1.00 H new ATOM 0 HG LEU X 31 80.837 -6.395 -2.782 1.00 1.00 H new ATOM 0 HD11 LEU X 31 82.597 -5.988 -4.481 1.00 1.00 H new ATOM 0 HD12 LEU X 31 80.973 -5.908 -5.205 1.00 1.00 H new ATOM 0 HD13 LEU X 31 81.867 -4.409 -4.856 1.00 1.00 H new ATOM 0 HD21 LEU X 31 82.954 -5.282 -2.120 1.00 1.00 H new ATOM 0 HD22 LEU X 31 82.229 -3.695 -2.474 1.00 1.00 H new ATOM 0 HD23 LEU X 31 81.586 -4.691 -1.147 1.00 1.00 H new ATOM 523 N LEU X 32 76.720 -4.160 -2.304 1.00 1.00 N ATOM 524 CA LEU X 32 75.533 -3.322 -2.332 1.00 1.00 C ATOM 525 C LEU X 32 75.055 -3.012 -0.915 1.00 1.00 C ATOM 526 O LEU X 32 74.754 -1.862 -0.589 1.00 1.00 O ATOM 527 CB LEU X 32 74.420 -4.031 -3.115 1.00 1.00 C ATOM 528 CG LEU X 32 73.149 -3.171 -3.111 1.00 1.00 C ATOM 529 CD1 LEU X 32 73.434 -1.834 -3.797 1.00 1.00 C ATOM 530 CD2 LEU X 32 72.036 -3.902 -3.857 1.00 1.00 C ATOM 0 H LEU X 32 76.602 -5.083 -2.722 1.00 1.00 H new ATOM 0 HA LEU X 32 75.782 -2.382 -2.824 1.00 1.00 H new ATOM 0 HB2 LEU X 32 74.743 -4.213 -4.140 1.00 1.00 H new ATOM 0 HB3 LEU X 32 74.213 -5.004 -2.669 1.00 1.00 H new ATOM 0 HG LEU X 32 72.837 -2.990 -2.082 1.00 1.00 H new ATOM 0 HD11 LEU X 32 72.531 -1.224 -3.794 1.00 1.00 H new ATOM 0 HD12 LEU X 32 74.227 -1.312 -3.261 1.00 1.00 H new ATOM 0 HD13 LEU X 32 73.748 -2.012 -4.826 1.00 1.00 H new ATOM 0 HD21 LEU X 32 71.133 -3.291 -3.854 1.00 1.00 H new ATOM 0 HD22 LEU X 32 72.347 -4.085 -4.886 1.00 1.00 H new ATOM 0 HD23 LEU X 32 71.832 -4.853 -3.365 1.00 1.00 H new ATOM 542 N LYS X 33 74.987 -4.042 -0.080 1.00 1.00 N ATOM 543 CA LYS X 33 74.548 -3.870 1.298 1.00 1.00 C ATOM 544 C LYS X 33 75.588 -3.083 2.084 1.00 1.00 C ATOM 545 O LYS X 33 75.247 -2.221 2.899 1.00 1.00 O ATOM 546 CB LYS X 33 74.314 -5.230 1.952 1.00 1.00 C ATOM 547 CG LYS X 33 73.104 -5.907 1.299 1.00 1.00 C ATOM 548 CD LYS X 33 72.923 -7.304 1.893 1.00 1.00 C ATOM 549 CE LYS X 33 71.804 -8.033 1.150 1.00 1.00 C ATOM 550 NZ LYS X 33 70.495 -7.389 1.461 1.00 1.00 N ATOM 0 H LYS X 33 75.229 -5.000 -0.332 1.00 1.00 H new ATOM 0 HA LYS X 33 73.610 -3.315 1.300 1.00 1.00 H new ATOM 0 HB2 LYS X 33 75.199 -5.856 1.841 1.00 1.00 H new ATOM 0 HB3 LYS X 33 74.143 -5.107 3.021 1.00 1.00 H new ATOM 0 HG2 LYS X 33 72.207 -5.311 1.464 1.00 1.00 H new ATOM 0 HG3 LYS X 33 73.249 -5.974 0.221 1.00 1.00 H new ATOM 0 HD2 LYS X 33 73.853 -7.867 1.815 1.00 1.00 H new ATOM 0 HD3 LYS X 33 72.683 -7.231 2.954 1.00 1.00 H new ATOM 0 HE2 LYS X 33 71.988 -8.005 0.076 1.00 1.00 H new ATOM 0 HE3 LYS X 33 71.783 -9.083 1.443 1.00 1.00 H new ATOM 0 HZ1 LYS X 33 69.721 -7.997 1.126 1.00 1.00 H new ATOM 0 HZ2 LYS X 33 70.410 -7.254 2.489 1.00 1.00 H new ATOM 0 HZ3 LYS X 33 70.440 -6.466 0.985 1.00 1.00 H new ATOM 564 N PHE X 34 76.861 -3.387 1.835 1.00 1.00 N ATOM 565 CA PHE X 34 77.934 -2.706 2.524 1.00 1.00 C ATOM 566 C PHE X 34 77.953 -1.216 2.168 1.00 1.00 C ATOM 567 O PHE X 34 78.230 -0.362 3.011 1.00 1.00 O ATOM 568 CB PHE X 34 79.286 -3.341 2.170 1.00 1.00 C ATOM 569 CG PHE X 34 80.420 -2.472 2.700 1.00 1.00 C ATOM 570 CD1 PHE X 34 80.277 -1.783 3.910 1.00 1.00 C ATOM 571 CD2 PHE X 34 81.608 -2.360 1.966 1.00 1.00 C ATOM 572 CE1 PHE X 34 81.321 -0.981 4.386 1.00 1.00 C ATOM 573 CE2 PHE X 34 82.652 -1.559 2.443 1.00 1.00 C ATOM 574 CZ PHE X 34 82.509 -0.869 3.653 1.00 1.00 C ATOM 0 H PHE X 34 77.164 -4.095 1.166 1.00 1.00 H new ATOM 0 HA PHE X 34 77.762 -2.806 3.596 1.00 1.00 H new ATOM 0 HB2 PHE X 34 79.351 -4.341 2.598 1.00 1.00 H new ATOM 0 HB3 PHE X 34 79.375 -3.451 1.089 1.00 1.00 H new ATOM 0 HD1 PHE X 34 79.361 -1.870 4.476 1.00 1.00 H new ATOM 0 HD2 PHE X 34 81.718 -2.892 1.032 1.00 1.00 H new ATOM 0 HE1 PHE X 34 81.210 -0.448 5.319 1.00 1.00 H new ATOM 0 HE2 PHE X 34 83.568 -1.473 1.878 1.00 1.00 H new ATOM 0 HZ PHE X 34 83.315 -0.251 4.021 1.00 1.00 H new ATOM 584 N PHE X 35 77.670 -0.917 0.906 1.00 1.00 N ATOM 585 CA PHE X 35 77.666 0.464 0.437 1.00 1.00 C ATOM 586 C PHE X 35 76.605 1.270 1.186 1.00 1.00 C ATOM 587 O PHE X 35 76.851 2.399 1.612 1.00 1.00 O ATOM 588 CB PHE X 35 77.380 0.506 -1.067 1.00 1.00 C ATOM 589 CG PHE X 35 77.695 1.883 -1.601 1.00 1.00 C ATOM 590 CD1 PHE X 35 76.813 2.946 -1.370 1.00 1.00 C ATOM 591 CD2 PHE X 35 78.874 2.097 -2.326 1.00 1.00 C ATOM 592 CE1 PHE X 35 77.110 4.222 -1.863 1.00 1.00 C ATOM 593 CE2 PHE X 35 79.170 3.373 -2.819 1.00 1.00 C ATOM 594 CZ PHE X 35 78.288 4.436 -2.588 1.00 1.00 C ATOM 0 H PHE X 35 77.441 -1.608 0.192 1.00 1.00 H new ATOM 0 HA PHE X 35 78.646 0.902 0.627 1.00 1.00 H new ATOM 0 HB2 PHE X 35 77.981 -0.242 -1.583 1.00 1.00 H new ATOM 0 HB3 PHE X 35 76.335 0.261 -1.256 1.00 1.00 H new ATOM 0 HD1 PHE X 35 75.903 2.781 -0.811 1.00 1.00 H new ATOM 0 HD2 PHE X 35 79.555 1.278 -2.505 1.00 1.00 H new ATOM 0 HE1 PHE X 35 76.430 5.042 -1.684 1.00 1.00 H new ATOM 0 HE2 PHE X 35 80.079 3.538 -3.378 1.00 1.00 H new ATOM 0 HZ PHE X 35 78.517 5.420 -2.969 1.00 1.00 H new ATOM 604 N ASP X 36 75.423 0.686 1.340 1.00 1.00 N ATOM 605 CA ASP X 36 74.337 1.361 2.038 1.00 1.00 C ATOM 606 C ASP X 36 74.639 1.457 3.531 1.00 1.00 C ATOM 607 O ASP X 36 74.180 2.377 4.209 1.00 1.00 O ATOM 608 CB ASP X 36 73.023 0.600 1.822 1.00 1.00 C ATOM 609 CG ASP X 36 72.366 1.031 0.507 1.00 1.00 C ATOM 610 OD1 ASP X 36 72.541 2.178 0.130 1.00 1.00 O ATOM 611 OD2 ASP X 36 71.706 0.206 -0.104 1.00 1.00 O ATOM 0 H ASP X 36 75.193 -0.246 0.994 1.00 1.00 H new ATOM 0 HA ASP X 36 74.240 2.369 1.635 1.00 1.00 H new ATOM 0 HB2 ASP X 36 73.215 -0.473 1.805 1.00 1.00 H new ATOM 0 HB3 ASP X 36 72.345 0.789 2.654 1.00 1.00 H new ATOM 616 N PHE X 37 75.401 0.493 4.038 1.00 1.00 N ATOM 617 CA PHE X 37 75.742 0.475 5.456 1.00 1.00 C ATOM 618 C PHE X 37 76.471 1.755 5.852 1.00 1.00 C ATOM 619 O PHE X 37 76.088 2.427 6.809 1.00 1.00 O ATOM 620 CB PHE X 37 76.641 -0.730 5.752 1.00 1.00 C ATOM 621 CG PHE X 37 76.905 -0.816 7.235 1.00 1.00 C ATOM 622 CD1 PHE X 37 77.837 0.041 7.832 1.00 1.00 C ATOM 623 CD2 PHE X 37 76.215 -1.752 8.015 1.00 1.00 C ATOM 624 CE1 PHE X 37 78.078 -0.036 9.209 1.00 1.00 C ATOM 625 CE2 PHE X 37 76.456 -1.830 9.392 1.00 1.00 C ATOM 626 CZ PHE X 37 77.388 -0.972 9.989 1.00 1.00 C ATOM 0 H PHE X 37 75.790 -0.278 3.495 1.00 1.00 H new ATOM 0 HA PHE X 37 74.820 0.403 6.033 1.00 1.00 H new ATOM 0 HB2 PHE X 37 76.164 -1.646 5.404 1.00 1.00 H new ATOM 0 HB3 PHE X 37 77.582 -0.635 5.210 1.00 1.00 H new ATOM 0 HD1 PHE X 37 78.370 0.762 7.230 1.00 1.00 H new ATOM 0 HD2 PHE X 37 75.497 -2.414 7.554 1.00 1.00 H new ATOM 0 HE1 PHE X 37 78.796 0.626 9.670 1.00 1.00 H new ATOM 0 HE2 PHE X 37 75.923 -2.552 9.994 1.00 1.00 H new ATOM 0 HZ PHE X 37 77.575 -1.032 11.051 1.00 1.00 H new ATOM 636 N VAL X 38 77.518 2.090 5.107 1.00 1.00 N ATOM 637 CA VAL X 38 78.286 3.300 5.389 1.00 1.00 C ATOM 638 C VAL X 38 77.463 4.543 5.074 1.00 1.00 C ATOM 639 O VAL X 38 77.659 5.599 5.674 1.00 1.00 O ATOM 640 CB VAL X 38 79.577 3.309 4.563 1.00 1.00 C ATOM 641 CG1 VAL X 38 79.236 3.188 3.080 1.00 1.00 C ATOM 642 CG2 VAL X 38 80.327 4.624 4.800 1.00 1.00 C ATOM 0 H VAL X 38 77.853 1.548 4.311 1.00 1.00 H new ATOM 0 HA VAL X 38 78.539 3.308 6.449 1.00 1.00 H new ATOM 0 HB VAL X 38 80.203 2.469 4.865 1.00 1.00 H new ATOM 0 HG11 VAL X 38 80.155 3.195 2.494 1.00 1.00 H new ATOM 0 HG12 VAL X 38 78.700 2.255 2.905 1.00 1.00 H new ATOM 0 HG13 VAL X 38 78.609 4.028 2.781 1.00 1.00 H new ATOM 0 HG21 VAL X 38 81.245 4.630 4.213 1.00 1.00 H new ATOM 0 HG22 VAL X 38 79.698 5.461 4.499 1.00 1.00 H new ATOM 0 HG23 VAL X 38 80.573 4.717 5.858 1.00 1.00 H new ATOM 652 N LYS X 39 76.559 4.414 4.110 1.00 1.00 N ATOM 653 CA LYS X 39 75.724 5.546 3.709 1.00 1.00 C ATOM 654 C LYS X 39 74.794 5.961 4.845 1.00 1.00 C ATOM 655 O LYS X 39 74.669 7.145 5.160 1.00 1.00 O ATOM 656 CB LYS X 39 74.895 5.173 2.479 1.00 1.00 C ATOM 657 CG LYS X 39 74.142 6.405 1.974 1.00 1.00 C ATOM 658 CD LYS X 39 73.375 6.048 0.698 1.00 1.00 C ATOM 659 CE LYS X 39 72.639 7.286 0.183 1.00 1.00 C ATOM 660 NZ LYS X 39 71.978 6.968 -1.115 1.00 1.00 N ATOM 0 H LYS X 39 76.385 3.550 3.596 1.00 1.00 H new ATOM 0 HA LYS X 39 76.377 6.385 3.468 1.00 1.00 H new ATOM 0 HB2 LYS X 39 75.544 4.785 1.695 1.00 1.00 H new ATOM 0 HB3 LYS X 39 74.190 4.381 2.730 1.00 1.00 H new ATOM 0 HG2 LYS X 39 73.451 6.761 2.739 1.00 1.00 H new ATOM 0 HG3 LYS X 39 74.842 7.216 1.775 1.00 1.00 H new ATOM 0 HD2 LYS X 39 74.064 5.679 -0.062 1.00 1.00 H new ATOM 0 HD3 LYS X 39 72.664 5.247 0.900 1.00 1.00 H new ATOM 0 HE2 LYS X 39 71.896 7.610 0.912 1.00 1.00 H new ATOM 0 HE3 LYS X 39 73.339 8.111 0.054 1.00 1.00 H new ATOM 0 HZ1 LYS X 39 71.564 7.834 -1.515 1.00 1.00 H new ATOM 0 HZ2 LYS X 39 72.681 6.582 -1.777 1.00 1.00 H new ATOM 0 HZ3 LYS X 39 71.227 6.265 -0.959 1.00 1.00 H new ATOM 674 N ASP X 40 74.146 4.978 5.455 1.00 1.00 N ATOM 675 CA ASP X 40 73.232 5.243 6.559 1.00 1.00 C ATOM 676 C ASP X 40 73.990 5.663 7.812 1.00 1.00 C ATOM 677 O ASP X 40 73.480 6.434 8.626 1.00 1.00 O ATOM 678 CB ASP X 40 72.383 3.998 6.853 1.00 1.00 C ATOM 679 CG ASP X 40 71.161 3.954 5.932 1.00 1.00 C ATOM 680 OD1 ASP X 40 70.679 5.016 5.575 1.00 1.00 O ATOM 681 OD2 ASP X 40 70.725 2.863 5.602 1.00 1.00 O ATOM 0 H ASP X 40 74.235 3.993 5.206 1.00 1.00 H new ATOM 0 HA ASP X 40 72.578 6.064 6.265 1.00 1.00 H new ATOM 0 HB2 ASP X 40 72.984 3.099 6.713 1.00 1.00 H new ATOM 0 HB3 ASP X 40 72.061 4.007 7.894 1.00 1.00 H new ATOM 836 N ILE X 51 94.719 7.659 -0.174 1.00 1.00 N ATOM 837 CA ILE X 51 93.627 6.745 -0.512 1.00 1.00 C ATOM 838 C ILE X 51 92.310 7.262 0.050 1.00 1.00 C ATOM 839 O ILE X 51 92.095 7.270 1.263 1.00 1.00 O ATOM 840 CB ILE X 51 93.918 5.358 0.069 1.00 1.00 C ATOM 841 CG1 ILE X 51 95.203 4.791 -0.547 1.00 1.00 C ATOM 842 CG2 ILE X 51 92.749 4.421 -0.244 1.00 1.00 C ATOM 843 CD1 ILE X 51 95.781 3.710 0.362 1.00 1.00 C ATOM 0 HA ILE X 51 93.548 6.680 -1.597 1.00 1.00 H new ATOM 0 HB ILE X 51 94.045 5.442 1.148 1.00 1.00 H new ATOM 0 HG12 ILE X 51 94.992 4.375 -1.532 1.00 1.00 H new ATOM 0 HG13 ILE X 51 95.932 5.589 -0.687 1.00 1.00 H new ATOM 0 HG21 ILE X 51 92.954 3.433 0.169 1.00 1.00 H new ATOM 0 HG22 ILE X 51 91.836 4.817 0.200 1.00 1.00 H new ATOM 0 HG23 ILE X 51 92.623 4.344 -1.324 1.00 1.00 H new ATOM 0 HD11 ILE X 51 96.694 3.311 -0.081 1.00 1.00 H new ATOM 0 HD12 ILE X 51 96.009 4.139 1.338 1.00 1.00 H new ATOM 0 HD13 ILE X 51 95.054 2.907 0.480 1.00 1.00 H new ATOM 855 N ASP X 52 91.436 7.706 -0.848 1.00 1.00 N ATOM 856 CA ASP X 52 90.141 8.240 -0.440 1.00 1.00 C ATOM 857 C ASP X 52 89.259 7.146 0.144 1.00 1.00 C ATOM 858 O ASP X 52 88.494 7.381 1.080 1.00 1.00 O ATOM 859 CB ASP X 52 89.440 8.888 -1.634 1.00 1.00 C ATOM 860 CG ASP X 52 88.033 9.319 -1.241 1.00 1.00 C ATOM 861 OD1 ASP X 52 87.741 9.312 -0.056 1.00 1.00 O ATOM 862 OD2 ASP X 52 87.265 9.647 -2.131 1.00 1.00 O ATOM 0 H ASP X 52 91.599 7.707 -1.855 1.00 1.00 H new ATOM 0 HA ASP X 52 90.312 8.992 0.330 1.00 1.00 H new ATOM 0 HB2 ASP X 52 90.011 9.751 -1.977 1.00 1.00 H new ATOM 0 HB3 ASP X 52 89.395 8.185 -2.465 1.00 1.00 H new ATOM 867 N ILE X 53 89.374 5.951 -0.415 1.00 1.00 N ATOM 868 CA ILE X 53 88.586 4.822 0.054 1.00 1.00 C ATOM 869 C ILE X 53 88.920 4.502 1.502 1.00 1.00 C ATOM 870 O ILE X 53 88.135 3.882 2.202 1.00 1.00 O ATOM 871 CB ILE X 53 88.857 3.596 -0.818 1.00 1.00 C ATOM 872 CG1 ILE X 53 88.059 3.703 -2.114 1.00 1.00 C ATOM 873 CG2 ILE X 53 88.444 2.332 -0.083 1.00 1.00 C ATOM 874 CD1 ILE X 53 88.520 2.636 -3.106 1.00 1.00 C ATOM 0 H ILE X 53 90.002 5.739 -1.190 1.00 1.00 H new ATOM 0 HA ILE X 53 87.531 5.088 -0.013 1.00 1.00 H new ATOM 0 HB ILE X 53 89.923 3.552 -1.042 1.00 1.00 H new ATOM 0 HG12 ILE X 53 86.996 3.582 -1.906 1.00 1.00 H new ATOM 0 HG13 ILE X 53 88.188 4.694 -2.549 1.00 1.00 H new ATOM 0 HG21 ILE X 53 88.641 1.464 -0.713 1.00 1.00 H new ATOM 0 HG22 ILE X 53 89.014 2.246 0.842 1.00 1.00 H new ATOM 0 HG23 ILE X 53 87.380 2.377 0.150 1.00 1.00 H new ATOM 0 HD11 ILE X 53 87.943 2.722 -4.027 1.00 1.00 H new ATOM 0 HD12 ILE X 53 89.578 2.777 -3.326 1.00 1.00 H new ATOM 0 HD13 ILE X 53 88.368 1.647 -2.674 1.00 1.00 H new ATOM 886 N LYS X 54 90.096 4.920 1.944 1.00 1.00 N ATOM 887 CA LYS X 54 90.528 4.632 3.306 1.00 1.00 C ATOM 888 C LYS X 54 89.435 4.972 4.309 1.00 1.00 C ATOM 889 O LYS X 54 89.156 4.192 5.219 1.00 1.00 O ATOM 890 CB LYS X 54 91.777 5.457 3.636 1.00 1.00 C ATOM 891 CG LYS X 54 92.529 4.815 4.802 1.00 1.00 C ATOM 892 CD LYS X 54 93.825 5.585 5.065 1.00 1.00 C ATOM 893 CE LYS X 54 94.618 4.887 6.172 1.00 1.00 C ATOM 894 NZ LYS X 54 95.890 5.624 6.413 1.00 1.00 N ATOM 0 H LYS X 54 90.763 5.454 1.388 1.00 1.00 H new ATOM 0 HA LYS X 54 90.750 3.567 3.373 1.00 1.00 H new ATOM 0 HB2 LYS X 54 92.426 5.517 2.762 1.00 1.00 H new ATOM 0 HB3 LYS X 54 91.493 6.477 3.893 1.00 1.00 H new ATOM 0 HG2 LYS X 54 91.905 4.818 5.696 1.00 1.00 H new ATOM 0 HG3 LYS X 54 92.753 3.773 4.573 1.00 1.00 H new ATOM 0 HD2 LYS X 54 94.421 5.637 4.154 1.00 1.00 H new ATOM 0 HD3 LYS X 54 93.598 6.611 5.357 1.00 1.00 H new ATOM 0 HE2 LYS X 54 94.028 4.849 7.088 1.00 1.00 H new ATOM 0 HE3 LYS X 54 94.831 3.857 5.887 1.00 1.00 H new ATOM 0 HZ1 LYS X 54 96.429 5.150 7.165 1.00 1.00 H new ATOM 0 HZ2 LYS X 54 96.454 5.638 5.539 1.00 1.00 H new ATOM 0 HZ3 LYS X 54 95.676 6.600 6.703 1.00 1.00 H new ATOM 908 N ARG X 55 88.817 6.129 4.138 1.00 1.00 N ATOM 909 CA ARG X 55 87.755 6.551 5.037 1.00 1.00 C ATOM 910 C ARG X 55 86.599 5.559 5.000 1.00 1.00 C ATOM 911 O ARG X 55 86.009 5.245 6.035 1.00 1.00 O ATOM 912 CB ARG X 55 87.250 7.939 4.638 1.00 1.00 C ATOM 913 CG ARG X 55 86.216 8.429 5.657 1.00 1.00 C ATOM 914 CD ARG X 55 85.669 9.787 5.216 1.00 1.00 C ATOM 915 NE ARG X 55 86.727 10.790 5.238 1.00 1.00 N ATOM 916 CZ ARG X 55 87.035 11.443 6.354 1.00 1.00 C ATOM 917 NH1 ARG X 55 86.380 11.196 7.456 1.00 1.00 N ATOM 918 NH2 ARG X 55 87.990 12.332 6.348 1.00 1.00 N ATOM 0 H ARG X 55 89.030 6.789 3.390 1.00 1.00 H new ATOM 0 HA ARG X 55 88.157 6.589 6.050 1.00 1.00 H new ATOM 0 HB2 ARG X 55 88.084 8.639 4.588 1.00 1.00 H new ATOM 0 HB3 ARG X 55 86.805 7.902 3.644 1.00 1.00 H new ATOM 0 HG2 ARG X 55 85.403 7.708 5.742 1.00 1.00 H new ATOM 0 HG3 ARG X 55 86.673 8.512 6.643 1.00 1.00 H new ATOM 0 HD2 ARG X 55 85.252 9.710 4.212 1.00 1.00 H new ATOM 0 HD3 ARG X 55 84.856 10.091 5.876 1.00 1.00 H new ATOM 0 HE ARG X 55 87.241 10.994 4.381 1.00 1.00 H new ATOM 0 HH11 ARG X 55 85.632 10.502 7.460 1.00 1.00 H new ATOM 0 HH12 ARG X 55 86.616 11.697 8.313 1.00 1.00 H new ATOM 0 HH21 ARG X 55 88.501 12.526 5.487 1.00 1.00 H new ATOM 0 HH22 ARG X 55 88.226 12.833 7.205 1.00 1.00 H new ATOM 932 N TRP X 56 86.255 5.087 3.802 1.00 1.00 N ATOM 933 CA TRP X 56 85.146 4.163 3.666 1.00 1.00 C ATOM 934 C TRP X 56 85.413 2.867 4.441 1.00 1.00 C ATOM 935 O TRP X 56 84.602 2.416 5.247 1.00 1.00 O ATOM 936 CB TRP X 56 84.925 3.841 2.180 1.00 1.00 C ATOM 937 CG TRP X 56 83.771 2.893 2.024 1.00 1.00 C ATOM 938 CD1 TRP X 56 82.878 2.594 2.995 1.00 1.00 C ATOM 939 CD2 TRP X 56 83.375 2.121 0.853 1.00 1.00 C ATOM 940 NE1 TRP X 56 81.961 1.688 2.496 1.00 1.00 N ATOM 941 CE2 TRP X 56 82.225 1.365 1.180 1.00 1.00 C ATOM 942 CE3 TRP X 56 83.898 2.004 -0.447 1.00 1.00 C ATOM 943 CZ2 TRP X 56 81.614 0.523 0.250 1.00 1.00 C ATOM 944 CZ3 TRP X 56 83.286 1.157 -1.386 1.00 1.00 C ATOM 945 CH2 TRP X 56 82.146 0.418 -1.038 1.00 1.00 C ATOM 0 H TRP X 56 86.724 5.328 2.929 1.00 1.00 H new ATOM 0 HA TRP X 56 84.253 4.632 4.079 1.00 1.00 H new ATOM 0 HB2 TRP X 56 84.729 4.759 1.626 1.00 1.00 H new ATOM 0 HB3 TRP X 56 85.828 3.400 1.757 1.00 1.00 H new ATOM 0 HD1 TRP X 56 82.881 2.997 3.997 1.00 1.00 H new ATOM 0 HE1 TRP X 56 81.184 1.305 3.034 1.00 1.00 H new ATOM 0 HE3 TRP X 56 84.776 2.569 -0.725 1.00 1.00 H new ATOM 0 HZ2 TRP X 56 80.736 -0.044 0.524 1.00 1.00 H new ATOM 0 HZ3 TRP X 56 83.696 1.074 -2.382 1.00 1.00 H new ATOM 0 HH2 TRP X 56 81.680 -0.231 -1.764 1.00 1.00 H new ATOM 956 N ARG X 57 86.563 2.275 4.194 1.00 1.00 N ATOM 957 CA ARG X 57 86.935 1.030 4.862 1.00 1.00 C ATOM 958 C ARG X 57 87.097 1.252 6.356 1.00 1.00 C ATOM 959 O ARG X 57 86.743 0.395 7.159 1.00 1.00 O ATOM 960 CB ARG X 57 88.242 0.486 4.278 1.00 1.00 C ATOM 961 CG ARG X 57 88.267 0.719 2.766 1.00 1.00 C ATOM 962 CD ARG X 57 87.161 -0.077 2.094 1.00 1.00 C ATOM 963 NE ARG X 57 87.221 0.067 0.651 1.00 1.00 N ATOM 964 CZ ARG X 57 86.122 0.015 -0.094 1.00 1.00 C ATOM 965 NH1 ARG X 57 84.961 -0.181 0.469 1.00 1.00 N ATOM 966 NH2 ARG X 57 86.204 0.159 -1.388 1.00 1.00 N ATOM 0 H ARG X 57 87.260 2.629 3.538 1.00 1.00 H new ATOM 0 HA ARG X 57 86.139 0.304 4.698 1.00 1.00 H new ATOM 0 HB2 ARG X 57 89.094 0.979 4.746 1.00 1.00 H new ATOM 0 HB3 ARG X 57 88.333 -0.579 4.493 1.00 1.00 H new ATOM 0 HG2 ARG X 57 88.142 1.781 2.552 1.00 1.00 H new ATOM 0 HG3 ARG X 57 89.235 0.424 2.361 1.00 1.00 H new ATOM 0 HD2 ARG X 57 87.251 -1.130 2.362 1.00 1.00 H new ATOM 0 HD3 ARG X 57 86.191 0.263 2.457 1.00 1.00 H new ATOM 0 HE ARG X 57 88.124 0.211 0.200 1.00 1.00 H new ATOM 0 HH11 ARG X 57 84.897 -0.294 1.481 1.00 1.00 H new ATOM 0 HH12 ARG X 57 84.117 -0.221 -0.103 1.00 1.00 H new ATOM 0 HH21 ARG X 57 87.112 0.311 -1.828 1.00 1.00 H new ATOM 0 HH22 ARG X 57 85.360 0.119 -1.960 1.00 1.00 H new ATOM 980 N ARG X 58 87.636 2.405 6.721 1.00 1.00 N ATOM 981 CA ARG X 58 87.849 2.728 8.129 1.00 1.00 C ATOM 982 C ARG X 58 86.551 2.592 8.913 1.00 1.00 C ATOM 983 O ARG X 58 86.534 2.034 10.009 1.00 1.00 O ATOM 984 CB ARG X 58 88.381 4.156 8.260 1.00 1.00 C ATOM 985 CG ARG X 58 89.911 4.142 8.249 1.00 1.00 C ATOM 986 CD ARG X 58 90.436 5.577 8.156 1.00 1.00 C ATOM 987 NE ARG X 58 91.892 5.590 8.259 1.00 1.00 N ATOM 988 CZ ARG X 58 92.492 5.642 9.444 1.00 1.00 C ATOM 989 NH1 ARG X 58 91.778 5.688 10.536 1.00 1.00 N ATOM 990 NH2 ARG X 58 93.795 5.648 9.516 1.00 1.00 N ATOM 0 H ARG X 58 87.933 3.131 6.069 1.00 1.00 H new ATOM 0 HA ARG X 58 88.579 2.029 8.537 1.00 1.00 H new ATOM 0 HB2 ARG X 58 88.008 4.770 7.440 1.00 1.00 H new ATOM 0 HB3 ARG X 58 88.019 4.605 9.185 1.00 1.00 H new ATOM 0 HG2 ARG X 58 90.287 3.664 9.154 1.00 1.00 H new ATOM 0 HG3 ARG X 58 90.274 3.556 7.405 1.00 1.00 H new ATOM 0 HD2 ARG X 58 90.127 6.024 7.211 1.00 1.00 H new ATOM 0 HD3 ARG X 58 90.003 6.183 8.952 1.00 1.00 H new ATOM 0 HE ARG X 58 92.457 5.559 7.410 1.00 1.00 H new ATOM 0 HH11 ARG X 58 90.760 5.684 10.480 1.00 1.00 H new ATOM 0 HH12 ARG X 58 92.239 5.728 11.445 1.00 1.00 H new ATOM 0 HH21 ARG X 58 94.353 5.613 8.663 1.00 1.00 H new ATOM 0 HH22 ARG X 58 94.255 5.688 10.425 1.00 1.00 H new ATOM 1004 N VAL X 59 85.466 3.097 8.342 1.00 1.00 N ATOM 1005 CA VAL X 59 84.169 3.016 8.999 1.00 1.00 C ATOM 1006 C VAL X 59 83.719 1.564 9.105 1.00 1.00 C ATOM 1007 O VAL X 59 83.222 1.141 10.141 1.00 1.00 O ATOM 1008 CB VAL X 59 83.130 3.818 8.208 1.00 1.00 C ATOM 1009 CG1 VAL X 59 81.769 3.738 8.905 1.00 1.00 C ATOM 1010 CG2 VAL X 59 83.573 5.281 8.127 1.00 1.00 C ATOM 0 H VAL X 59 85.457 3.563 7.435 1.00 1.00 H new ATOM 0 HA VAL X 59 84.261 3.434 10.002 1.00 1.00 H new ATOM 0 HB VAL X 59 83.044 3.402 7.204 1.00 1.00 H new ATOM 0 HG11 VAL X 59 81.035 4.310 8.337 1.00 1.00 H new ATOM 0 HG12 VAL X 59 81.451 2.697 8.964 1.00 1.00 H new ATOM 0 HG13 VAL X 59 81.851 4.150 9.911 1.00 1.00 H new ATOM 0 HG21 VAL X 59 82.836 5.854 7.565 1.00 1.00 H new ATOM 0 HG22 VAL X 59 83.661 5.691 9.133 1.00 1.00 H new ATOM 0 HG23 VAL X 59 84.539 5.341 7.625 1.00 1.00 H new ATOM 1020 N GLY X 60 83.881 0.812 8.021 1.00 1.00 N ATOM 1021 CA GLY X 60 83.465 -0.581 8.009 1.00 1.00 C ATOM 1022 C GLY X 60 84.263 -1.399 9.012 1.00 1.00 C ATOM 1023 O GLY X 60 83.698 -2.105 9.819 1.00 1.00 O ATOM 0 H GLY X 60 84.294 1.142 7.149 1.00 1.00 H new ATOM 0 HA2 GLY X 60 82.403 -0.649 8.243 1.00 1.00 H new ATOM 0 HA3 GLY X 60 83.598 -0.995 7.009 1.00 1.00 H new ATOM 1027 N ASP X 61 85.577 -1.294 8.960 1.00 1.00 N ATOM 1028 CA ASP X 61 86.429 -2.042 9.873 1.00 1.00 C ATOM 1029 C ASP X 61 86.019 -1.796 11.318 1.00 1.00 C ATOM 1030 O ASP X 61 86.020 -2.717 12.138 1.00 1.00 O ATOM 1031 CB ASP X 61 87.892 -1.611 9.676 1.00 1.00 C ATOM 1032 CG ASP X 61 88.524 -2.381 8.513 1.00 1.00 C ATOM 1033 OD1 ASP X 61 87.877 -3.285 8.011 1.00 1.00 O ATOM 1034 OD2 ASP X 61 89.640 -2.054 8.142 1.00 1.00 O ATOM 0 H ASP X 61 86.079 -0.701 8.299 1.00 1.00 H new ATOM 0 HA ASP X 61 86.321 -3.105 9.657 1.00 1.00 H new ATOM 0 HB2 ASP X 61 87.939 -0.540 9.479 1.00 1.00 H new ATOM 0 HB3 ASP X 61 88.457 -1.792 10.590 1.00 1.00 H new ATOM 1039 N CYS X 62 85.683 -0.550 11.628 1.00 1.00 N ATOM 1040 CA CYS X 62 85.290 -0.203 12.993 1.00 1.00 C ATOM 1041 C CYS X 62 83.879 -0.701 13.309 1.00 1.00 C ATOM 1042 O CYS X 62 83.662 -1.448 14.274 1.00 1.00 O ATOM 1043 CB CYS X 62 85.346 1.316 13.172 1.00 1.00 C ATOM 1044 SG CYS X 62 86.999 1.914 12.742 1.00 1.00 S ATOM 0 H CYS X 62 85.673 0.227 10.967 1.00 1.00 H new ATOM 0 HA CYS X 62 85.985 -0.687 13.680 1.00 1.00 H new ATOM 0 HB2 CYS X 62 84.598 1.795 12.540 1.00 1.00 H new ATOM 0 HB3 CYS X 62 85.109 1.580 14.202 1.00 1.00 H new ATOM 0 HG CYS X 62 87.020 2.270 11.492 1.00 1.00 H new ATOM 1050 N PHE X 63 82.920 -0.275 12.494 1.00 1.00 N ATOM 1051 CA PHE X 63 81.534 -0.667 12.699 1.00 1.00 C ATOM 1052 C PHE X 63 81.378 -2.179 12.656 1.00 1.00 C ATOM 1053 O PHE X 63 80.701 -2.757 13.498 1.00 1.00 O ATOM 1054 CB PHE X 63 80.643 -0.032 11.627 1.00 1.00 C ATOM 1055 CG PHE X 63 80.097 1.284 12.130 1.00 1.00 C ATOM 1056 CD1 PHE X 63 80.837 2.460 11.965 1.00 1.00 C ATOM 1057 CD2 PHE X 63 78.849 1.324 12.763 1.00 1.00 C ATOM 1058 CE1 PHE X 63 80.329 3.678 12.432 1.00 1.00 C ATOM 1059 CE2 PHE X 63 78.341 2.542 13.231 1.00 1.00 C ATOM 1060 CZ PHE X 63 79.081 3.719 13.065 1.00 1.00 C ATOM 0 H PHE X 63 83.076 0.336 11.693 1.00 1.00 H new ATOM 0 HA PHE X 63 81.230 -0.315 13.685 1.00 1.00 H new ATOM 0 HB2 PHE X 63 81.215 0.127 10.713 1.00 1.00 H new ATOM 0 HB3 PHE X 63 79.823 -0.705 11.377 1.00 1.00 H new ATOM 0 HD1 PHE X 63 81.800 2.428 11.477 1.00 1.00 H new ATOM 0 HD2 PHE X 63 78.278 0.416 12.890 1.00 1.00 H new ATOM 0 HE1 PHE X 63 80.900 4.586 12.304 1.00 1.00 H new ATOM 0 HE2 PHE X 63 77.379 2.574 13.720 1.00 1.00 H new ATOM 0 HZ PHE X 63 78.689 4.659 13.425 1.00 1.00 H new ATOM 1070 N GLN X 64 82.004 -2.807 11.670 1.00 1.00 N ATOM 1071 CA GLN X 64 81.925 -4.254 11.516 1.00 1.00 C ATOM 1072 C GLN X 64 82.490 -4.958 12.738 1.00 1.00 C ATOM 1073 O GLN X 64 81.977 -5.982 13.157 1.00 1.00 O ATOM 1074 CB GLN X 64 82.689 -4.699 10.273 1.00 1.00 C ATOM 1075 CG GLN X 64 81.954 -4.214 9.022 1.00 1.00 C ATOM 1076 CD GLN X 64 82.767 -4.546 7.773 1.00 1.00 C ATOM 1077 OE1 GLN X 64 83.829 -3.965 7.551 1.00 1.00 O ATOM 1078 NE2 GLN X 64 82.329 -5.452 6.942 1.00 1.00 N ATOM 0 H GLN X 64 82.572 -2.338 10.965 1.00 1.00 H new ATOM 0 HA GLN X 64 80.874 -4.524 11.408 1.00 1.00 H new ATOM 0 HB2 GLN X 64 83.702 -4.296 10.292 1.00 1.00 H new ATOM 0 HB3 GLN X 64 82.778 -5.785 10.257 1.00 1.00 H new ATOM 0 HG2 GLN X 64 80.973 -4.685 8.962 1.00 1.00 H new ATOM 0 HG3 GLN X 64 81.789 -3.138 9.082 1.00 1.00 H new ATOM 0 HE21 GLN X 64 81.449 -5.932 7.128 1.00 1.00 H new ATOM 0 HE22 GLN X 64 82.867 -5.680 6.106 1.00 1.00 H new ATOM 1087 N ASP X 65 83.561 -4.412 13.298 1.00 1.00 N ATOM 1088 CA ASP X 65 84.188 -5.024 14.465 1.00 1.00 C ATOM 1089 C ASP X 65 83.166 -5.238 15.577 1.00 1.00 C ATOM 1090 O ASP X 65 83.070 -6.329 16.145 1.00 1.00 O ATOM 1091 CB ASP X 65 85.308 -4.115 14.980 1.00 1.00 C ATOM 1092 CG ASP X 65 86.021 -4.778 16.151 1.00 1.00 C ATOM 1093 OD1 ASP X 65 85.544 -5.803 16.608 1.00 1.00 O ATOM 1094 OD2 ASP X 65 87.040 -4.253 16.571 1.00 1.00 O ATOM 0 H ASP X 65 84.010 -3.557 12.969 1.00 1.00 H new ATOM 0 HA ASP X 65 84.596 -5.991 14.171 1.00 1.00 H new ATOM 0 HB2 ASP X 65 86.019 -3.911 14.179 1.00 1.00 H new ATOM 0 HB3 ASP X 65 84.895 -3.156 15.291 1.00 1.00 H new ATOM 1099 N TYR X 66 82.403 -4.194 15.880 1.00 1.00 N ATOM 1100 CA TYR X 66 81.388 -4.290 16.927 1.00 1.00 C ATOM 1101 C TYR X 66 80.143 -5.015 16.425 1.00 1.00 C ATOM 1102 O TYR X 66 79.558 -5.831 17.135 1.00 1.00 O ATOM 1103 CB TYR X 66 81.006 -2.890 17.410 1.00 1.00 C ATOM 1104 CG TYR X 66 82.192 -2.249 18.091 1.00 1.00 C ATOM 1105 CD1 TYR X 66 82.608 -2.707 19.347 1.00 1.00 C ATOM 1106 CD2 TYR X 66 82.875 -1.198 17.468 1.00 1.00 C ATOM 1107 CE1 TYR X 66 83.707 -2.114 19.980 1.00 1.00 C ATOM 1108 CE2 TYR X 66 83.974 -0.604 18.101 1.00 1.00 C ATOM 1109 CZ TYR X 66 84.390 -1.063 19.356 1.00 1.00 C ATOM 1110 OH TYR X 66 85.473 -0.478 19.979 1.00 1.00 O ATOM 0 H TYR X 66 82.464 -3.283 15.424 1.00 1.00 H new ATOM 0 HA TYR X 66 81.808 -4.863 17.753 1.00 1.00 H new ATOM 0 HB2 TYR X 66 80.683 -2.279 16.567 1.00 1.00 H new ATOM 0 HB3 TYR X 66 80.165 -2.949 18.101 1.00 1.00 H new ATOM 0 HD1 TYR X 66 82.081 -3.518 19.828 1.00 1.00 H new ATOM 0 HD2 TYR X 66 82.554 -0.845 16.499 1.00 1.00 H new ATOM 0 HE1 TYR X 66 84.028 -2.467 20.949 1.00 1.00 H new ATOM 0 HE2 TYR X 66 84.500 0.208 17.621 1.00 1.00 H new ATOM 0 HH TYR X 66 85.832 0.235 19.410 1.00 1.00 H new ATOM 1120 N TYR X 67 79.736 -4.702 15.203 1.00 1.00 N ATOM 1121 CA TYR X 67 78.548 -5.323 14.623 1.00 1.00 C ATOM 1122 C TYR X 67 78.709 -6.835 14.531 1.00 1.00 C ATOM 1123 O TYR X 67 77.815 -7.586 14.913 1.00 1.00 O ATOM 1124 CB TYR X 67 78.289 -4.745 13.230 1.00 1.00 C ATOM 1125 CG TYR X 67 77.242 -3.659 13.313 1.00 1.00 C ATOM 1126 CD1 TYR X 67 77.329 -2.675 14.305 1.00 1.00 C ATOM 1127 CD2 TYR X 67 76.182 -3.640 12.399 1.00 1.00 C ATOM 1128 CE1 TYR X 67 76.357 -1.671 14.382 1.00 1.00 C ATOM 1129 CE2 TYR X 67 75.210 -2.636 12.476 1.00 1.00 C ATOM 1130 CZ TYR X 67 75.297 -1.651 13.468 1.00 1.00 C ATOM 1131 OH TYR X 67 74.339 -0.662 13.543 1.00 1.00 O ATOM 0 H TYR X 67 80.204 -4.028 14.597 1.00 1.00 H new ATOM 0 HA TYR X 67 77.699 -5.108 15.272 1.00 1.00 H new ATOM 0 HB2 TYR X 67 79.213 -4.341 12.816 1.00 1.00 H new ATOM 0 HB3 TYR X 67 77.956 -5.533 12.555 1.00 1.00 H new ATOM 0 HD1 TYR X 67 78.146 -2.691 15.011 1.00 1.00 H new ATOM 0 HD2 TYR X 67 76.114 -4.400 11.635 1.00 1.00 H new ATOM 0 HE1 TYR X 67 76.425 -0.911 15.147 1.00 1.00 H new ATOM 0 HE2 TYR X 67 74.393 -2.621 11.770 1.00 1.00 H new ATOM 0 HH TYR X 67 73.676 -0.795 12.834 1.00 1.00 H new ATOM 1141 N ASN X 68 79.850 -7.274 14.020 1.00 1.00 N ATOM 1142 CA ASN X 68 80.119 -8.696 13.876 1.00 1.00 C ATOM 1143 C ASN X 68 80.162 -9.369 15.242 1.00 1.00 C ATOM 1144 O ASN X 68 79.641 -10.470 15.417 1.00 1.00 O ATOM 1145 CB ASN X 68 81.451 -8.904 13.155 1.00 1.00 C ATOM 1146 CG ASN X 68 81.285 -8.635 11.661 1.00 1.00 C ATOM 1147 OD1 ASN X 68 81.233 -9.570 10.862 1.00 1.00 O ATOM 1148 ND2 ASN X 68 81.196 -7.405 11.236 1.00 1.00 N ATOM 0 H ASN X 68 80.603 -6.666 13.699 1.00 1.00 H new ATOM 0 HA ASN X 68 79.318 -9.144 13.288 1.00 1.00 H new ATOM 0 HB2 ASN X 68 82.207 -8.238 13.571 1.00 1.00 H new ATOM 0 HB3 ASN X 68 81.804 -9.923 13.312 1.00 1.00 H new ATOM 0 HD21 ASN X 68 81.083 -7.216 10.240 1.00 1.00 H new ATOM 0 HD22 ASN X 68 81.239 -6.632 11.900 1.00 1.00 H new ATOM 1155 N THR X 69 80.785 -8.698 16.209 1.00 1.00 N ATOM 1156 CA THR X 69 80.884 -9.243 17.559 1.00 1.00 C ATOM 1157 C THR X 69 79.498 -9.389 18.178 1.00 1.00 C ATOM 1158 O THR X 69 79.171 -10.427 18.756 1.00 1.00 O ATOM 1159 CB THR X 69 81.740 -8.323 18.431 1.00 1.00 C ATOM 1160 OG1 THR X 69 83.058 -8.268 17.904 1.00 1.00 O ATOM 1161 CG2 THR X 69 81.779 -8.864 19.860 1.00 1.00 C ATOM 0 H THR X 69 81.224 -7.786 16.084 1.00 1.00 H new ATOM 0 HA THR X 69 81.351 -10.226 17.502 1.00 1.00 H new ATOM 0 HB THR X 69 81.310 -7.321 18.438 1.00 1.00 H new ATOM 0 HG1 THR X 69 83.159 -7.460 17.358 1.00 1.00 H new ATOM 0 HG21 THR X 69 82.389 -8.208 20.481 1.00 1.00 H new ATOM 0 HG22 THR X 69 80.766 -8.905 20.261 1.00 1.00 H new ATOM 0 HG23 THR X 69 82.209 -9.865 19.858 1.00 1.00 H new ATOM 1169 N PHE X 70 78.686 -8.346 18.049 1.00 1.00 N ATOM 1170 CA PHE X 70 77.333 -8.375 18.593 1.00 1.00 C ATOM 1171 C PHE X 70 76.494 -9.445 17.901 1.00 1.00 C ATOM 1172 O PHE X 70 75.748 -10.180 18.550 1.00 1.00 O ATOM 1173 CB PHE X 70 76.668 -7.006 18.421 1.00 1.00 C ATOM 1174 CG PHE X 70 76.842 -6.197 19.685 1.00 1.00 C ATOM 1175 CD1 PHE X 70 78.098 -5.675 20.017 1.00 1.00 C ATOM 1176 CD2 PHE X 70 75.745 -5.969 20.525 1.00 1.00 C ATOM 1177 CE1 PHE X 70 78.258 -4.927 21.190 1.00 1.00 C ATOM 1178 CE2 PHE X 70 75.905 -5.221 21.698 1.00 1.00 C ATOM 1179 CZ PHE X 70 77.161 -4.700 22.030 1.00 1.00 C ATOM 0 H PHE X 70 78.937 -7.477 17.577 1.00 1.00 H new ATOM 0 HA PHE X 70 77.397 -8.615 19.654 1.00 1.00 H new ATOM 0 HB2 PHE X 70 77.111 -6.479 17.576 1.00 1.00 H new ATOM 0 HB3 PHE X 70 75.608 -7.130 18.200 1.00 1.00 H new ATOM 0 HD1 PHE X 70 78.944 -5.849 19.368 1.00 1.00 H new ATOM 0 HD2 PHE X 70 74.776 -6.370 20.268 1.00 1.00 H new ATOM 0 HE1 PHE X 70 79.227 -4.525 21.447 1.00 1.00 H new ATOM 0 HE2 PHE X 70 75.059 -5.046 22.346 1.00 1.00 H new ATOM 0 HZ PHE X 70 77.284 -4.123 22.934 1.00 1.00 H new ATOM 1189 N GLY X 71 76.605 -9.512 16.578 1.00 1.00 N ATOM 1190 CA GLY X 71 75.841 -10.474 15.802 1.00 1.00 C ATOM 1191 C GLY X 71 75.656 -9.994 14.365 1.00 1.00 C ATOM 1192 O GLY X 71 75.940 -10.725 13.416 1.00 1.00 O ATOM 0 H GLY X 71 77.216 -8.911 16.025 1.00 1.00 H new ATOM 0 HA2 GLY X 71 76.352 -11.437 15.805 1.00 1.00 H new ATOM 0 HA3 GLY X 71 74.867 -10.629 16.266 1.00 1.00 H new ATOM 1196 N PRO X 72 75.175 -8.788 14.190 1.00 1.00 N ATOM 1197 CA PRO X 72 74.937 -8.205 12.840 1.00 1.00 C ATOM 1198 C PRO X 72 76.076 -8.500 11.869 1.00 1.00 C ATOM 1199 O PRO X 72 77.080 -7.788 11.834 1.00 1.00 O ATOM 1200 CB PRO X 72 74.821 -6.706 13.115 1.00 1.00 C ATOM 1201 CG PRO X 72 74.341 -6.593 14.525 1.00 1.00 C ATOM 1202 CD PRO X 72 74.812 -7.843 15.261 1.00 1.00 C ATOM 0 HA PRO X 72 74.053 -8.626 12.361 1.00 1.00 H new ATOM 0 HB2 PRO X 72 75.782 -6.208 12.987 1.00 1.00 H new ATOM 0 HB3 PRO X 72 74.123 -6.233 12.424 1.00 1.00 H new ATOM 0 HG2 PRO X 72 74.740 -5.695 14.997 1.00 1.00 H new ATOM 0 HG3 PRO X 72 73.254 -6.514 14.557 1.00 1.00 H new ATOM 0 HD2 PRO X 72 75.664 -7.627 15.905 1.00 1.00 H new ATOM 0 HD3 PRO X 72 74.026 -8.248 15.898 1.00 1.00 H new ATOM 1210 N GLU X 73 75.910 -9.553 11.081 1.00 1.00 N ATOM 1211 CA GLU X 73 76.920 -9.938 10.104 1.00 1.00 C ATOM 1212 C GLU X 73 76.645 -9.284 8.758 1.00 1.00 C ATOM 1213 O GLU X 73 77.327 -9.567 7.778 1.00 1.00 O ATOM 1214 CB GLU X 73 76.948 -11.458 9.949 1.00 1.00 C ATOM 1215 CG GLU X 73 75.635 -11.934 9.325 1.00 1.00 C ATOM 1216 CD GLU X 73 75.595 -13.457 9.290 1.00 1.00 C ATOM 1217 OE1 GLU X 73 76.616 -14.065 9.566 1.00 1.00 O ATOM 1218 OE2 GLU X 73 74.541 -13.994 8.990 1.00 1.00 O ATOM 0 H GLU X 73 75.087 -10.155 11.099 1.00 1.00 H new ATOM 0 HA GLU X 73 77.891 -9.597 10.462 1.00 1.00 H new ATOM 0 HB2 GLU X 73 77.789 -11.754 9.322 1.00 1.00 H new ATOM 0 HB3 GLU X 73 77.093 -11.930 10.921 1.00 1.00 H new ATOM 0 HG2 GLU X 73 74.791 -11.553 9.900 1.00 1.00 H new ATOM 0 HG3 GLU X 73 75.538 -11.536 8.315 1.00 1.00 H new ATOM 1225 N LYS X 74 75.626 -8.431 8.712 1.00 1.00 N ATOM 1226 CA LYS X 74 75.252 -7.761 7.473 1.00 1.00 C ATOM 1227 C LYS X 74 76.490 -7.387 6.672 1.00 1.00 C ATOM 1228 O LYS X 74 76.533 -7.594 5.461 1.00 1.00 O ATOM 1229 CB LYS X 74 74.431 -6.505 7.787 1.00 1.00 C ATOM 1230 CG LYS X 74 74.248 -5.674 6.511 1.00 1.00 C ATOM 1231 CD LYS X 74 73.331 -4.492 6.797 1.00 1.00 C ATOM 1232 CE LYS X 74 73.220 -3.624 5.543 1.00 1.00 C ATOM 1233 NZ LYS X 74 72.365 -2.439 5.835 1.00 1.00 N ATOM 0 H LYS X 74 75.047 -8.189 9.516 1.00 1.00 H new ATOM 0 HA LYS X 74 74.648 -8.445 6.876 1.00 1.00 H new ATOM 0 HB2 LYS X 74 73.459 -6.786 8.192 1.00 1.00 H new ATOM 0 HB3 LYS X 74 74.934 -5.911 8.550 1.00 1.00 H new ATOM 0 HG2 LYS X 74 75.215 -5.319 6.155 1.00 1.00 H new ATOM 0 HG3 LYS X 74 73.824 -6.293 5.720 1.00 1.00 H new ATOM 0 HD2 LYS X 74 72.345 -4.846 7.097 1.00 1.00 H new ATOM 0 HD3 LYS X 74 73.724 -3.904 7.627 1.00 1.00 H new ATOM 0 HE2 LYS X 74 74.210 -3.301 5.222 1.00 1.00 H new ATOM 0 HE3 LYS X 74 72.792 -4.202 4.724 1.00 1.00 H new ATOM 0 HZ1 LYS X 74 72.289 -1.848 4.983 1.00 1.00 H new ATOM 0 HZ2 LYS X 74 71.417 -2.757 6.122 1.00 1.00 H new ATOM 0 HZ3 LYS X 74 72.792 -1.884 6.604 1.00 1.00 H new ATOM 1247 N VAL X 75 77.489 -6.843 7.356 1.00 1.00 N ATOM 1248 CA VAL X 75 78.730 -6.452 6.706 1.00 1.00 C ATOM 1249 C VAL X 75 79.896 -7.266 7.273 1.00 1.00 C ATOM 1250 O VAL X 75 80.551 -6.849 8.226 1.00 1.00 O ATOM 1251 CB VAL X 75 78.985 -4.967 6.911 1.00 1.00 C ATOM 1252 CG1 VAL X 75 78.350 -4.184 5.766 1.00 1.00 C ATOM 1253 CG2 VAL X 75 78.390 -4.514 8.239 1.00 1.00 C ATOM 0 H VAL X 75 77.463 -6.663 8.360 1.00 1.00 H new ATOM 0 HA VAL X 75 78.645 -6.650 5.637 1.00 1.00 H new ATOM 0 HB VAL X 75 80.059 -4.784 6.926 1.00 1.00 H new ATOM 0 HG11 VAL X 75 78.531 -3.119 5.910 1.00 1.00 H new ATOM 0 HG12 VAL X 75 78.789 -4.502 4.820 1.00 1.00 H new ATOM 0 HG13 VAL X 75 77.276 -4.371 5.749 1.00 1.00 H new ATOM 0 HG21 VAL X 75 78.577 -3.449 8.377 1.00 1.00 H new ATOM 0 HG22 VAL X 75 77.315 -4.696 8.237 1.00 1.00 H new ATOM 0 HG23 VAL X 75 78.851 -5.072 9.054 1.00 1.00 H new ATOM 1263 N PRO X 76 80.153 -8.420 6.717 1.00 1.00 N ATOM 1264 CA PRO X 76 81.255 -9.314 7.187 1.00 1.00 C ATOM 1265 C PRO X 76 82.600 -8.601 7.240 1.00 1.00 C ATOM 1266 O PRO X 76 82.883 -7.729 6.420 1.00 1.00 O ATOM 1267 CB PRO X 76 81.276 -10.435 6.146 1.00 1.00 C ATOM 1268 CG PRO X 76 79.915 -10.438 5.533 1.00 1.00 C ATOM 1269 CD PRO X 76 79.421 -9.003 5.583 1.00 1.00 C ATOM 0 HA PRO X 76 81.086 -9.667 8.204 1.00 1.00 H new ATOM 0 HB2 PRO X 76 82.044 -10.257 5.394 1.00 1.00 H new ATOM 0 HB3 PRO X 76 81.500 -11.396 6.609 1.00 1.00 H new ATOM 0 HG2 PRO X 76 79.952 -10.801 4.506 1.00 1.00 H new ATOM 0 HG3 PRO X 76 79.244 -11.100 6.080 1.00 1.00 H new ATOM 0 HD2 PRO X 76 79.634 -8.474 4.654 1.00 1.00 H new ATOM 0 HD3 PRO X 76 78.343 -8.956 5.736 1.00 1.00 H new ATOM 1277 N VAL X 77 83.421 -8.973 8.218 1.00 1.00 N ATOM 1278 CA VAL X 77 84.733 -8.357 8.379 1.00 1.00 C ATOM 1279 C VAL X 77 85.635 -8.710 7.203 1.00 1.00 C ATOM 1280 O VAL X 77 86.584 -7.989 6.898 1.00 1.00 O ATOM 1281 CB VAL X 77 85.379 -8.834 9.680 1.00 1.00 C ATOM 1282 CG1 VAL X 77 84.321 -8.896 10.783 1.00 1.00 C ATOM 1283 CG2 VAL X 77 85.983 -10.222 9.470 1.00 1.00 C ATOM 0 H VAL X 77 83.203 -9.693 8.906 1.00 1.00 H new ATOM 0 HA VAL X 77 84.604 -7.275 8.414 1.00 1.00 H new ATOM 0 HB VAL X 77 86.165 -8.138 9.972 1.00 1.00 H new ATOM 0 HG11 VAL X 77 84.782 -9.236 11.710 1.00 1.00 H new ATOM 0 HG12 VAL X 77 83.893 -7.905 10.933 1.00 1.00 H new ATOM 0 HG13 VAL X 77 83.533 -9.591 10.493 1.00 1.00 H new ATOM 0 HG21 VAL X 77 86.444 -10.562 10.397 1.00 1.00 H new ATOM 0 HG22 VAL X 77 85.198 -10.920 9.177 1.00 1.00 H new ATOM 0 HG23 VAL X 77 86.738 -10.175 8.686 1.00 1.00 H new ATOM 1293 N THR X 78 85.331 -9.824 6.544 1.00 1.00 N ATOM 1294 CA THR X 78 86.123 -10.266 5.401 1.00 1.00 C ATOM 1295 C THR X 78 86.448 -9.086 4.485 1.00 1.00 C ATOM 1296 O THR X 78 87.364 -9.158 3.663 1.00 1.00 O ATOM 1297 CB THR X 78 85.349 -11.324 4.609 1.00 1.00 C ATOM 1298 OG1 THR X 78 84.145 -10.754 4.112 1.00 1.00 O ATOM 1299 CG2 THR X 78 85.016 -12.506 5.520 1.00 1.00 C ATOM 0 H THR X 78 84.548 -10.433 6.779 1.00 1.00 H new ATOM 0 HA THR X 78 87.054 -10.694 5.772 1.00 1.00 H new ATOM 0 HB THR X 78 85.959 -11.672 3.776 1.00 1.00 H new ATOM 0 HG1 THR X 78 83.649 -11.429 3.603 1.00 1.00 H new ATOM 0 HG21 THR X 78 84.465 -13.258 4.954 1.00 1.00 H new ATOM 0 HG22 THR X 78 85.939 -12.943 5.901 1.00 1.00 H new ATOM 0 HG23 THR X 78 84.406 -12.161 6.355 1.00 1.00 H new ATOM 1307 N ALA X 79 85.697 -8.000 4.637 1.00 1.00 N ATOM 1308 CA ALA X 79 85.915 -6.814 3.825 1.00 1.00 C ATOM 1309 C ALA X 79 87.361 -6.335 3.974 1.00 1.00 C ATOM 1310 O ALA X 79 87.938 -5.779 3.059 1.00 1.00 O ATOM 1311 CB ALA X 79 84.960 -5.703 4.265 1.00 1.00 C ATOM 0 H ALA X 79 84.937 -7.919 5.312 1.00 1.00 H new ATOM 0 HA ALA X 79 85.726 -7.061 2.780 1.00 1.00 H new ATOM 0 HB1 ALA X 79 85.127 -4.816 3.654 1.00 1.00 H new ATOM 0 HB2 ALA X 79 83.930 -6.039 4.143 1.00 1.00 H new ATOM 0 HB3 ALA X 79 85.141 -5.461 5.312 1.00 1.00 H new ATOM 1317 N PHE X 80 87.949 -6.557 5.136 1.00 1.00 N ATOM 1318 CA PHE X 80 89.323 -6.123 5.369 1.00 1.00 C ATOM 1319 C PHE X 80 90.245 -6.655 4.271 1.00 1.00 C ATOM 1320 O PHE X 80 91.037 -5.908 3.692 1.00 1.00 O ATOM 1321 CB PHE X 80 89.793 -6.631 6.732 1.00 1.00 C ATOM 1322 CG PHE X 80 91.172 -6.092 7.020 1.00 1.00 C ATOM 1323 CD1 PHE X 80 92.296 -6.678 6.425 1.00 1.00 C ATOM 1324 CD2 PHE X 80 91.328 -5.004 7.888 1.00 1.00 C ATOM 1325 CE1 PHE X 80 93.574 -6.176 6.697 1.00 1.00 C ATOM 1326 CE2 PHE X 80 92.606 -4.502 8.160 1.00 1.00 C ATOM 1327 CZ PHE X 80 93.730 -5.088 7.564 1.00 1.00 C ATOM 0 H PHE X 80 87.508 -7.028 5.926 1.00 1.00 H new ATOM 0 HA PHE X 80 89.358 -5.034 5.353 1.00 1.00 H new ATOM 0 HB2 PHE X 80 89.098 -6.315 7.510 1.00 1.00 H new ATOM 0 HB3 PHE X 80 89.807 -7.721 6.741 1.00 1.00 H new ATOM 0 HD1 PHE X 80 92.177 -7.517 5.756 1.00 1.00 H new ATOM 0 HD2 PHE X 80 90.462 -4.552 8.348 1.00 1.00 H new ATOM 0 HE1 PHE X 80 94.440 -6.628 6.238 1.00 1.00 H new ATOM 0 HE2 PHE X 80 92.725 -3.663 8.829 1.00 1.00 H new ATOM 0 HZ PHE X 80 94.716 -4.701 7.773 1.00 1.00 H new ATOM 1337 N SER X 81 90.122 -7.941 3.973 1.00 1.00 N ATOM 1338 CA SER X 81 90.935 -8.558 2.924 1.00 1.00 C ATOM 1339 C SER X 81 90.586 -7.965 1.554 1.00 1.00 C ATOM 1340 O SER X 81 91.473 -7.645 0.747 1.00 1.00 O ATOM 1341 CB SER X 81 90.701 -10.067 2.905 1.00 1.00 C ATOM 1342 OG SER X 81 91.256 -10.611 1.715 1.00 1.00 O ATOM 0 H SER X 81 89.473 -8.577 4.437 1.00 1.00 H new ATOM 0 HA SER X 81 91.985 -8.356 3.136 1.00 1.00 H new ATOM 0 HB2 SER X 81 91.160 -10.529 3.779 1.00 1.00 H new ATOM 0 HB3 SER X 81 89.634 -10.282 2.954 1.00 1.00 H new ATOM 0 HG SER X 81 91.110 -11.580 1.699 1.00 1.00 H new ATOM 1348 N TYR X 82 89.290 -7.810 1.298 1.00 1.00 N ATOM 1349 CA TYR X 82 88.834 -7.248 0.026 1.00 1.00 C ATOM 1350 C TYR X 82 89.455 -5.865 -0.199 1.00 1.00 C ATOM 1351 O TYR X 82 89.821 -5.485 -1.332 1.00 1.00 O ATOM 1352 CB TYR X 82 87.302 -7.158 0.020 1.00 1.00 C ATOM 1353 CG TYR X 82 86.863 -5.801 -0.485 1.00 1.00 C ATOM 1354 CD1 TYR X 82 86.935 -4.680 0.351 1.00 1.00 C ATOM 1355 CD2 TYR X 82 86.402 -5.665 -1.800 1.00 1.00 C ATOM 1356 CE1 TYR X 82 86.544 -3.424 -0.128 1.00 1.00 C ATOM 1357 CE2 TYR X 82 86.011 -4.409 -2.279 1.00 1.00 C ATOM 1358 CZ TYR X 82 86.083 -3.288 -1.443 1.00 1.00 C ATOM 1359 OH TYR X 82 85.702 -2.059 -1.921 1.00 1.00 O ATOM 0 H TYR X 82 88.543 -8.062 1.945 1.00 1.00 H new ATOM 0 HA TYR X 82 89.152 -7.901 -0.787 1.00 1.00 H new ATOM 0 HB2 TYR X 82 86.886 -7.942 -0.613 1.00 1.00 H new ATOM 0 HB3 TYR X 82 86.916 -7.322 1.026 1.00 1.00 H new ATOM 0 HD1 TYR X 82 87.292 -4.784 1.365 1.00 1.00 H new ATOM 0 HD2 TYR X 82 86.348 -6.529 -2.445 1.00 1.00 H new ATOM 0 HE1 TYR X 82 86.598 -2.560 0.517 1.00 1.00 H new ATOM 0 HE2 TYR X 82 85.654 -4.305 -3.293 1.00 1.00 H new ATOM 0 HH TYR X 82 85.410 -2.146 -2.852 1.00 1.00 H new ATOM 1369 N TRP X 83 89.580 -5.115 0.888 1.00 1.00 N ATOM 1370 CA TRP X 83 90.156 -3.787 0.809 1.00 1.00 C ATOM 1371 C TRP X 83 91.647 -3.872 0.501 1.00 1.00 C ATOM 1372 O TRP X 83 92.228 -2.953 -0.081 1.00 1.00 O ATOM 1373 CB TRP X 83 89.930 -3.017 2.110 1.00 1.00 C ATOM 1374 CG TRP X 83 90.634 -1.699 2.040 1.00 1.00 C ATOM 1375 CD1 TRP X 83 90.809 -0.966 0.916 1.00 1.00 C ATOM 1376 CD2 TRP X 83 91.255 -0.945 3.121 1.00 1.00 C ATOM 1377 NE1 TRP X 83 91.498 0.189 1.239 1.00 1.00 N ATOM 1378 CE2 TRP X 83 91.795 0.248 2.586 1.00 1.00 C ATOM 1379 CE3 TRP X 83 91.401 -1.178 4.501 1.00 1.00 C ATOM 1380 CZ2 TRP X 83 92.456 1.177 3.390 1.00 1.00 C ATOM 1381 CZ3 TRP X 83 92.065 -0.245 5.313 1.00 1.00 C ATOM 1382 CH2 TRP X 83 92.592 0.930 4.759 1.00 1.00 C ATOM 0 H TRP X 83 89.293 -5.403 1.823 1.00 1.00 H new ATOM 0 HA TRP X 83 89.659 -3.250 0.001 1.00 1.00 H new ATOM 0 HB2 TRP X 83 88.863 -2.863 2.273 1.00 1.00 H new ATOM 0 HB3 TRP X 83 90.302 -3.595 2.956 1.00 1.00 H new ATOM 0 HD1 TRP X 83 90.467 -1.238 -0.071 1.00 1.00 H new ATOM 0 HE1 TRP X 83 91.755 0.909 0.564 1.00 1.00 H new ATOM 0 HE3 TRP X 83 91.000 -2.080 4.938 1.00 1.00 H new ATOM 0 HZ2 TRP X 83 92.860 2.081 2.958 1.00 1.00 H new ATOM 0 HZ3 TRP X 83 92.170 -0.434 6.371 1.00 1.00 H new ATOM 0 HH2 TRP X 83 93.102 1.643 5.389 1.00 1.00 H new ATOM 1393 N ASN X 84 92.270 -4.965 0.936 1.00 1.00 N ATOM 1394 CA ASN X 84 93.702 -5.142 0.735 1.00 1.00 C ATOM 1395 C ASN X 84 94.038 -5.119 -0.750 1.00 1.00 C ATOM 1396 O ASN X 84 94.981 -4.444 -1.172 1.00 1.00 O ATOM 1397 CB ASN X 84 94.150 -6.479 1.327 1.00 1.00 C ATOM 1398 CG ASN X 84 95.595 -6.387 1.811 1.00 1.00 C ATOM 1399 OD1 ASN X 84 96.029 -5.326 2.259 1.00 1.00 O ATOM 1400 ND2 ASN X 84 96.368 -7.437 1.750 1.00 1.00 N ATOM 0 H ASN X 84 91.810 -5.733 1.425 1.00 1.00 H new ATOM 0 HA ASN X 84 94.222 -4.324 1.234 1.00 1.00 H new ATOM 0 HB2 ASN X 84 93.498 -6.754 2.156 1.00 1.00 H new ATOM 0 HB3 ASN X 84 94.060 -7.265 0.577 1.00 1.00 H new ATOM 0 HD21 ASN X 84 97.333 -7.379 2.074 1.00 1.00 H new ATOM 0 HD22 ASN X 84 96.007 -8.315 1.378 1.00 1.00 H new ATOM 1407 N LEU X 85 93.256 -5.847 -1.542 1.00 1.00 N ATOM 1408 CA LEU X 85 93.490 -5.883 -2.978 1.00 1.00 C ATOM 1409 C LEU X 85 93.400 -4.486 -3.574 1.00 1.00 C ATOM 1410 O LEU X 85 94.225 -4.104 -4.419 1.00 1.00 O ATOM 1411 CB LEU X 85 92.457 -6.798 -3.651 1.00 1.00 C ATOM 1412 CG LEU X 85 92.963 -8.242 -3.667 1.00 1.00 C ATOM 1413 CD1 LEU X 85 94.213 -8.345 -4.546 1.00 1.00 C ATOM 1414 CD2 LEU X 85 93.302 -8.677 -2.242 1.00 1.00 C ATOM 0 H LEU X 85 92.469 -6.410 -1.219 1.00 1.00 H new ATOM 0 HA LEU X 85 94.493 -6.273 -3.154 1.00 1.00 H new ATOM 0 HB2 LEU X 85 91.509 -6.743 -3.117 1.00 1.00 H new ATOM 0 HB3 LEU X 85 92.269 -6.459 -4.670 1.00 1.00 H new ATOM 0 HG LEU X 85 92.187 -8.891 -4.072 1.00 1.00 H new ATOM 0 HD11 LEU X 85 94.569 -9.375 -4.553 1.00 1.00 H new ATOM 0 HD12 LEU X 85 93.969 -8.038 -5.563 1.00 1.00 H new ATOM 0 HD13 LEU X 85 94.992 -7.695 -4.148 1.00 1.00 H new ATOM 0 HD21 LEU X 85 93.663 -9.706 -2.252 1.00 1.00 H new ATOM 0 HD22 LEU X 85 94.076 -8.025 -1.837 1.00 1.00 H new ATOM 0 HD23 LEU X 85 92.410 -8.611 -1.619 1.00 1.00 H new ATOM 1426 N ILE X 86 92.416 -3.713 -3.117 1.00 1.00 N ATOM 1427 CA ILE X 86 92.267 -2.347 -3.612 1.00 1.00 C ATOM 1428 C ILE X 86 93.481 -1.503 -3.211 1.00 1.00 C ATOM 1429 O ILE X 86 94.020 -0.753 -4.027 1.00 1.00 O ATOM 1430 CB ILE X 86 91.006 -1.737 -3.033 1.00 1.00 C ATOM 1431 CG1 ILE X 86 89.784 -2.434 -3.612 1.00 1.00 C ATOM 1432 CG2 ILE X 86 90.950 -0.249 -3.365 1.00 1.00 C ATOM 1433 CD1 ILE X 86 88.613 -2.283 -2.650 1.00 1.00 C ATOM 0 H ILE X 86 91.726 -4.000 -2.422 1.00 1.00 H new ATOM 0 HA ILE X 86 92.198 -2.367 -4.700 1.00 1.00 H new ATOM 0 HB ILE X 86 91.015 -1.864 -1.950 1.00 1.00 H new ATOM 0 HG12 ILE X 86 89.531 -2.003 -4.581 1.00 1.00 H new ATOM 0 HG13 ILE X 86 89.998 -3.490 -3.779 1.00 1.00 H new ATOM 0 HG21 ILE X 86 90.041 0.183 -2.946 1.00 1.00 H new ATOM 0 HG22 ILE X 86 91.820 0.252 -2.940 1.00 1.00 H new ATOM 0 HG23 ILE X 86 90.949 -0.117 -4.447 1.00 1.00 H new ATOM 0 HD11 ILE X 86 87.736 -2.782 -3.063 1.00 1.00 H new ATOM 0 HD12 ILE X 86 88.869 -2.734 -1.691 1.00 1.00 H new ATOM 0 HD13 ILE X 86 88.394 -1.225 -2.506 1.00 1.00 H new ATOM 1445 N LYS X 87 93.910 -1.629 -1.956 1.00 1.00 N ATOM 1446 CA LYS X 87 95.050 -0.861 -1.487 1.00 1.00 C ATOM 1447 C LYS X 87 96.203 -0.931 -2.477 1.00 1.00 C ATOM 1448 O LYS X 87 96.743 0.096 -2.869 1.00 1.00 O ATOM 1449 CB LYS X 87 95.532 -1.416 -0.139 1.00 1.00 C ATOM 1450 CG LYS X 87 95.135 -0.473 0.994 1.00 1.00 C ATOM 1451 CD LYS X 87 95.832 -0.899 2.285 1.00 1.00 C ATOM 1452 CE LYS X 87 95.336 -0.032 3.438 1.00 1.00 C ATOM 1453 NZ LYS X 87 96.374 0.035 4.504 1.00 1.00 N ATOM 0 H LYS X 87 93.491 -2.246 -1.260 1.00 1.00 H new ATOM 0 HA LYS X 87 94.732 0.176 -1.381 1.00 1.00 H new ATOM 0 HB2 LYS X 87 95.100 -2.402 0.031 1.00 1.00 H new ATOM 0 HB3 LYS X 87 96.615 -1.540 -0.155 1.00 1.00 H new ATOM 0 HG2 LYS X 87 95.410 0.551 0.741 1.00 1.00 H new ATOM 0 HG3 LYS X 87 94.054 -0.488 1.131 1.00 1.00 H new ATOM 0 HD2 LYS X 87 95.628 -1.950 2.492 1.00 1.00 H new ATOM 0 HD3 LYS X 87 96.912 -0.799 2.178 1.00 1.00 H new ATOM 0 HE2 LYS X 87 95.107 0.971 3.078 1.00 1.00 H new ATOM 0 HE3 LYS X 87 94.412 -0.444 3.843 1.00 1.00 H new ATOM 0 HZ1 LYS X 87 96.030 0.627 5.287 1.00 1.00 H new ATOM 0 HZ2 LYS X 87 96.572 -0.923 4.856 1.00 1.00 H new ATOM 0 HZ3 LYS X 87 97.245 0.448 4.115 1.00 1.00 H new ATOM 1467 N GLU X 88 96.570 -2.139 -2.871 1.00 1.00 N ATOM 1468 CA GLU X 88 97.663 -2.326 -3.816 1.00 1.00 C ATOM 1469 C GLU X 88 97.359 -1.648 -5.141 1.00 1.00 C ATOM 1470 O GLU X 88 98.269 -1.204 -5.845 1.00 1.00 O ATOM 1471 CB GLU X 88 97.904 -3.822 -4.051 1.00 1.00 C ATOM 1472 CG GLU X 88 98.657 -4.413 -2.861 1.00 1.00 C ATOM 1473 CD GLU X 88 98.780 -5.923 -3.022 1.00 1.00 C ATOM 1474 OE1 GLU X 88 98.325 -6.431 -4.034 1.00 1.00 O ATOM 1475 OE2 GLU X 88 99.324 -6.551 -2.129 1.00 1.00 O ATOM 0 H GLU X 88 96.130 -3.003 -2.554 1.00 1.00 H new ATOM 0 HA GLU X 88 98.559 -1.873 -3.390 1.00 1.00 H new ATOM 0 HB2 GLU X 88 96.953 -4.337 -4.185 1.00 1.00 H new ATOM 0 HB3 GLU X 88 98.477 -3.969 -4.966 1.00 1.00 H new ATOM 0 HG2 GLU X 88 99.648 -3.965 -2.788 1.00 1.00 H new ATOM 0 HG3 GLU X 88 98.132 -4.179 -1.935 1.00 1.00 H new ATOM 1482 N LEU X 89 96.078 -1.589 -5.494 1.00 1.00 N ATOM 1483 CA LEU X 89 95.699 -0.978 -6.762 1.00 1.00 C ATOM 1484 C LEU X 89 95.860 0.540 -6.723 1.00 1.00 C ATOM 1485 O LEU X 89 96.469 1.131 -7.616 1.00 1.00 O ATOM 1486 CB LEU X 89 94.236 -1.323 -7.073 1.00 1.00 C ATOM 1487 CG LEU X 89 93.849 -0.781 -8.455 1.00 1.00 C ATOM 1488 CD1 LEU X 89 94.688 -1.472 -9.531 1.00 1.00 C ATOM 1489 CD2 LEU X 89 92.368 -1.048 -8.714 1.00 1.00 C ATOM 0 H LEU X 89 95.303 -1.947 -4.936 1.00 1.00 H new ATOM 0 HA LEU X 89 96.357 -1.370 -7.538 1.00 1.00 H new ATOM 0 HB2 LEU X 89 94.095 -2.404 -7.045 1.00 1.00 H new ATOM 0 HB3 LEU X 89 93.584 -0.897 -6.311 1.00 1.00 H new ATOM 0 HG LEU X 89 94.034 0.293 -8.485 1.00 1.00 H new ATOM 0 HD11 LEU X 89 94.411 -1.086 -10.512 1.00 1.00 H new ATOM 0 HD12 LEU X 89 95.745 -1.277 -9.349 1.00 1.00 H new ATOM 0 HD13 LEU X 89 94.506 -2.546 -9.500 1.00 1.00 H new ATOM 0 HD21 LEU X 89 92.095 -0.662 -9.696 1.00 1.00 H new ATOM 0 HD22 LEU X 89 92.181 -2.121 -8.681 1.00 1.00 H new ATOM 0 HD23 LEU X 89 91.770 -0.551 -7.950 1.00 1.00 H new ATOM 1501 N ILE X 90 95.287 1.167 -5.703 1.00 1.00 N ATOM 1502 CA ILE X 90 95.351 2.617 -5.578 1.00 1.00 C ATOM 1503 C ILE X 90 96.718 3.057 -5.079 1.00 1.00 C ATOM 1504 O ILE X 90 97.166 4.168 -5.357 1.00 1.00 O ATOM 1505 CB ILE X 90 94.267 3.097 -4.613 1.00 1.00 C ATOM 1506 CG1 ILE X 90 92.911 2.541 -5.046 1.00 1.00 C ATOM 1507 CG2 ILE X 90 94.201 4.627 -4.641 1.00 1.00 C ATOM 1508 CD1 ILE X 90 91.891 2.733 -3.928 1.00 1.00 C ATOM 0 H ILE X 90 94.776 0.698 -4.955 1.00 1.00 H new ATOM 0 HA ILE X 90 95.187 3.058 -6.561 1.00 1.00 H new ATOM 0 HB ILE X 90 94.506 2.751 -3.607 1.00 1.00 H new ATOM 0 HG12 ILE X 90 92.572 3.047 -5.950 1.00 1.00 H new ATOM 0 HG13 ILE X 90 93.003 1.482 -5.289 1.00 1.00 H new ATOM 0 HG21 ILE X 90 93.428 4.970 -3.953 1.00 1.00 H new ATOM 0 HG22 ILE X 90 95.164 5.038 -4.339 1.00 1.00 H new ATOM 0 HG23 ILE X 90 93.963 4.963 -5.650 1.00 1.00 H new ATOM 0 HD11 ILE X 90 90.927 2.335 -4.243 1.00 1.00 H new ATOM 0 HD12 ILE X 90 92.227 2.206 -3.035 1.00 1.00 H new ATOM 0 HD13 ILE X 90 91.790 3.795 -3.706 1.00 1.00 H new ATOM 1520 N ASP X 91 97.367 2.184 -4.322 1.00 1.00 N ATOM 1521 CA ASP X 91 98.682 2.499 -3.765 1.00 1.00 C ATOM 1522 C ASP X 91 99.671 2.801 -4.887 1.00 1.00 C ATOM 1523 O ASP X 91 100.458 3.742 -4.796 1.00 1.00 O ATOM 1524 CB ASP X 91 99.200 1.318 -2.941 1.00 1.00 C ATOM 1525 CG ASP X 91 98.606 1.357 -1.533 1.00 1.00 C ATOM 1526 OD1 ASP X 91 98.523 2.438 -0.974 1.00 1.00 O ATOM 1527 OD2 ASP X 91 98.232 0.305 -1.042 1.00 1.00 O ATOM 0 H ASP X 91 97.012 1.259 -4.079 1.00 1.00 H new ATOM 0 HA ASP X 91 98.585 3.375 -3.124 1.00 1.00 H new ATOM 0 HB2 ASP X 91 98.935 0.380 -3.430 1.00 1.00 H new ATOM 0 HB3 ASP X 91 100.288 1.353 -2.886 1.00 1.00 H new