USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=11 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 :FLIP amide:sc= -1.08 F(o=-2.2!,f=-1.1) USER MOD Single : A 19 ASN : amide:sc= -1.8 K(o=-1.8,f=-8.4!) USER MOD Single : A 20 LYS NZ :NH3+ -155:sc= -0.016 (180deg=-0.444) USER MOD Single : A 25 GLN : amide:sc= 0.137 X(o=0.14,f=0) USER MOD Single : A 30 THR OG1 : rot 148:sc= 2.02 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= -2.5! X(o=-2.5!,f=-2.4) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 67:sc= -0.397 USER MOD Single : A 60 GLN : amide:sc=-0.00204 K(o=-0.002,f=-2.9!) USER MOD Single : A 61 CYS SG : rot -136:sc= -1.2 USER MOD Single : A 65 LYS NZ :NH3+ 147:sc= -0.411 (180deg=-2.21!) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0467 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -158:sc= -0.158 (180deg=-0.72) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.318 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 68 N PHE A 8 7.607 -3.768 1.137 1.00 0.00 N ATOM 69 CA PHE A 8 7.053 -2.646 1.886 1.00 0.00 C ATOM 70 C PHE A 8 6.273 -3.135 3.103 1.00 0.00 C ATOM 71 O PHE A 8 5.819 -4.278 3.143 1.00 0.00 O ATOM 72 CB PHE A 8 6.146 -1.804 0.988 1.00 0.00 C ATOM 73 CG PHE A 8 6.830 -1.296 -0.250 1.00 0.00 C ATOM 74 CD1 PHE A 8 6.880 -2.071 -1.397 1.00 0.00 C ATOM 75 CD2 PHE A 8 7.422 -0.044 -0.264 1.00 0.00 C ATOM 76 CE1 PHE A 8 7.509 -1.606 -2.536 1.00 0.00 C ATOM 77 CE2 PHE A 8 8.053 0.427 -1.401 1.00 0.00 C ATOM 78 CZ PHE A 8 8.096 -0.356 -2.538 1.00 0.00 C ATOM 0 HA PHE A 8 7.882 -2.029 2.233 1.00 0.00 H new ATOM 0 HB2 PHE A 8 5.282 -2.401 0.697 1.00 0.00 H new ATOM 0 HB3 PHE A 8 5.769 -0.955 1.559 1.00 0.00 H new ATOM 0 HD1 PHE A 8 6.422 -3.049 -1.401 1.00 0.00 H new ATOM 0 HD2 PHE A 8 7.391 0.571 0.623 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.542 -2.220 -3.424 1.00 0.00 H new ATOM 0 HE2 PHE A 8 8.511 1.405 -1.400 1.00 0.00 H new ATOM 0 HZ PHE A 8 8.588 0.009 -3.427 1.00 0.00 H new ATOM 88 N ARG A 9 6.124 -2.261 4.094 1.00 0.00 N ATOM 89 CA ARG A 9 5.401 -2.605 5.314 1.00 0.00 C ATOM 90 C ARG A 9 4.234 -1.649 5.542 1.00 0.00 C ATOM 91 O ARG A 9 4.205 -0.546 4.995 1.00 0.00 O ATOM 92 CB ARG A 9 6.344 -2.572 6.517 1.00 0.00 C ATOM 93 CG ARG A 9 5.853 -3.393 7.699 1.00 0.00 C ATOM 94 CD ARG A 9 6.843 -3.358 8.852 1.00 0.00 C ATOM 95 NE ARG A 9 7.027 -4.676 9.454 1.00 0.00 N ATOM 96 CZ ARG A 9 7.674 -5.678 8.863 1.00 0.00 C ATOM 97 NH1 ARG A 9 8.198 -5.517 7.654 1.00 0.00 N ATOM 98 NH2 ARG A 9 7.797 -6.845 9.481 1.00 0.00 N ATOM 0 H ARG A 9 6.494 -1.311 4.076 1.00 0.00 H new ATOM 0 HA ARG A 9 5.005 -3.614 5.200 1.00 0.00 H new ATOM 0 HB2 ARG A 9 7.323 -2.941 6.211 1.00 0.00 H new ATOM 0 HB3 ARG A 9 6.478 -1.538 6.834 1.00 0.00 H new ATOM 0 HG2 ARG A 9 4.889 -3.010 8.034 1.00 0.00 H new ATOM 0 HG3 ARG A 9 5.694 -4.425 7.386 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.803 -2.985 8.495 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.492 -2.659 9.611 1.00 0.00 H new ATOM 0 HE ARG A 9 6.637 -4.838 10.382 1.00 0.00 H new ATOM 0 HH11 ARG A 9 8.106 -4.622 7.173 1.00 0.00 H new ATOM 0 HH12 ARG A 9 8.693 -6.288 7.206 1.00 0.00 H new ATOM 0 HH21 ARG A 9 7.396 -6.975 10.410 1.00 0.00 H new ATOM 0 HH22 ARG A 9 8.293 -7.612 9.028 1.00 0.00 H new ATOM 112 N VAL A 10 3.273 -2.079 6.354 1.00 0.00 N ATOM 113 CA VAL A 10 2.104 -1.262 6.657 1.00 0.00 C ATOM 114 C VAL A 10 2.507 0.044 7.331 1.00 0.00 C ATOM 115 O VAL A 10 3.384 0.064 8.195 1.00 0.00 O ATOM 116 CB VAL A 10 1.113 -2.011 7.566 1.00 0.00 C ATOM 117 CG1 VAL A 10 -0.184 -1.228 7.704 1.00 0.00 C ATOM 118 CG2 VAL A 10 0.846 -3.409 7.029 1.00 0.00 C ATOM 0 H VAL A 10 3.281 -2.989 6.814 1.00 0.00 H new ATOM 0 HA VAL A 10 1.617 -1.043 5.707 1.00 0.00 H new ATOM 0 HB VAL A 10 1.559 -2.107 8.556 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.872 -1.774 8.350 1.00 0.00 H new ATOM 0 HG12 VAL A 10 0.025 -0.251 8.140 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -0.636 -1.097 6.721 1.00 0.00 H new ATOM 0 HG21 VAL A 10 0.143 -3.923 7.685 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.422 -3.339 6.027 1.00 0.00 H new ATOM 0 HG23 VAL A 10 1.781 -3.968 6.990 1.00 0.00 H new ATOM 128 N GLY A 11 1.860 1.135 6.933 1.00 0.00 N ATOM 129 CA GLY A 11 2.164 2.431 7.511 1.00 0.00 C ATOM 130 C GLY A 11 3.093 3.252 6.638 1.00 0.00 C ATOM 131 O GLY A 11 2.988 4.477 6.589 1.00 0.00 O ATOM 0 H GLY A 11 1.130 1.144 6.220 1.00 0.00 H new ATOM 0 HA2 GLY A 11 1.237 2.982 7.668 1.00 0.00 H new ATOM 0 HA3 GLY A 11 2.621 2.290 8.491 1.00 0.00 H new ATOM 135 N GLU A 12 4.004 2.576 5.947 1.00 0.00 N ATOM 136 CA GLU A 12 4.955 3.250 5.071 1.00 0.00 C ATOM 137 C GLU A 12 4.262 3.783 3.822 1.00 0.00 C ATOM 138 O GLU A 12 3.388 3.127 3.257 1.00 0.00 O ATOM 139 CB GLU A 12 6.081 2.293 4.673 1.00 0.00 C ATOM 140 CG GLU A 12 6.693 1.551 5.849 1.00 0.00 C ATOM 141 CD GLU A 12 8.016 0.897 5.501 1.00 0.00 C ATOM 142 OE1 GLU A 12 8.124 0.327 4.394 1.00 0.00 O ATOM 143 OE2 GLU A 12 8.945 0.955 6.334 1.00 0.00 O ATOM 0 H GLU A 12 4.104 1.561 5.977 1.00 0.00 H new ATOM 0 HA GLU A 12 5.379 4.093 5.617 1.00 0.00 H new ATOM 0 HB2 GLU A 12 5.694 1.567 3.958 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.862 2.857 4.163 1.00 0.00 H new ATOM 0 HG2 GLU A 12 6.842 2.246 6.675 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.995 0.789 6.196 1.00 0.00 H new ATOM 150 N ARG A 13 4.658 4.978 3.396 1.00 0.00 N ATOM 151 CA ARG A 13 4.075 5.599 2.213 1.00 0.00 C ATOM 152 C ARG A 13 4.621 4.961 0.939 1.00 0.00 C ATOM 153 O ARG A 13 5.790 4.580 0.876 1.00 0.00 O ATOM 154 CB ARG A 13 4.360 7.102 2.206 1.00 0.00 C ATOM 155 CG ARG A 13 3.540 7.872 1.183 1.00 0.00 C ATOM 156 CD ARG A 13 2.331 8.535 1.823 1.00 0.00 C ATOM 157 NE ARG A 13 1.881 9.699 1.065 1.00 0.00 N ATOM 158 CZ ARG A 13 2.595 10.814 0.926 1.00 0.00 C ATOM 159 NH1 ARG A 13 3.791 10.920 1.492 1.00 0.00 N ATOM 160 NH2 ARG A 13 2.110 11.828 0.221 1.00 0.00 N ATOM 0 H ARG A 13 5.380 5.535 3.853 1.00 0.00 H new ATOM 0 HA ARG A 13 2.997 5.441 2.245 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.160 7.506 3.198 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.419 7.262 2.005 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.165 8.630 0.711 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.210 7.195 0.395 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.518 7.813 1.896 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.580 8.838 2.840 1.00 0.00 H new ATOM 0 HE ARG A 13 0.966 9.655 0.616 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.168 10.145 2.037 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.333 11.777 1.382 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.191 11.753 -0.214 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.657 12.683 0.114 1.00 0.00 H new ATOM 174 N VAL A 14 3.767 4.848 -0.073 1.00 0.00 N ATOM 175 CA VAL A 14 4.165 4.257 -1.344 1.00 0.00 C ATOM 176 C VAL A 14 3.783 5.159 -2.512 1.00 0.00 C ATOM 177 O VAL A 14 3.190 6.220 -2.321 1.00 0.00 O ATOM 178 CB VAL A 14 3.518 2.873 -1.547 1.00 0.00 C ATOM 179 CG1 VAL A 14 4.193 1.834 -0.665 1.00 0.00 C ATOM 180 CG2 VAL A 14 2.025 2.936 -1.264 1.00 0.00 C ATOM 0 H VAL A 14 2.796 5.158 -0.037 1.00 0.00 H new ATOM 0 HA VAL A 14 5.249 4.143 -1.315 1.00 0.00 H new ATOM 0 HB VAL A 14 3.655 2.576 -2.587 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.723 0.863 -0.822 1.00 0.00 H new ATOM 0 HG12 VAL A 14 5.251 1.771 -0.921 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.090 2.122 0.381 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.585 1.950 -1.412 1.00 0.00 H new ATOM 0 HG22 VAL A 14 1.863 3.255 -0.234 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.556 3.649 -1.942 1.00 0.00 H new ATOM 190 N TRP A 15 4.126 4.730 -3.722 1.00 0.00 N ATOM 191 CA TRP A 15 3.819 5.502 -4.921 1.00 0.00 C ATOM 192 C TRP A 15 3.297 4.596 -6.032 1.00 0.00 C ATOM 193 O TRP A 15 4.065 3.886 -6.680 1.00 0.00 O ATOM 194 CB TRP A 15 5.062 6.256 -5.399 1.00 0.00 C ATOM 195 CG TRP A 15 4.940 7.744 -5.264 1.00 0.00 C ATOM 196 CD1 TRP A 15 4.713 8.641 -6.267 1.00 0.00 C ATOM 197 CD2 TRP A 15 5.041 8.507 -4.057 1.00 0.00 C ATOM 198 NE1 TRP A 15 4.666 9.917 -5.757 1.00 0.00 N ATOM 199 CE2 TRP A 15 4.864 9.860 -4.402 1.00 0.00 C ATOM 200 CE3 TRP A 15 5.263 8.177 -2.717 1.00 0.00 C ATOM 201 CZ2 TRP A 15 4.902 10.881 -3.457 1.00 0.00 C ATOM 202 CZ3 TRP A 15 5.301 9.192 -1.779 1.00 0.00 C ATOM 203 CH2 TRP A 15 5.120 10.529 -2.153 1.00 0.00 C ATOM 0 H TRP A 15 4.616 3.853 -3.898 1.00 0.00 H new ATOM 0 HA TRP A 15 3.041 6.223 -4.671 1.00 0.00 H new ATOM 0 HB2 TRP A 15 5.927 5.916 -4.829 1.00 0.00 H new ATOM 0 HB3 TRP A 15 5.251 6.007 -6.443 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.588 8.386 -7.309 1.00 0.00 H new ATOM 0 HE1 TRP A 15 4.509 10.767 -6.299 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.402 7.148 -2.420 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 4.764 11.913 -3.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.473 8.950 -0.741 1.00 0.00 H new ATOM 0 HH2 TRP A 15 5.153 11.299 -1.396 1.00 0.00 H new ATOM 214 N VAL A 16 1.985 4.628 -6.246 1.00 0.00 N ATOM 215 CA VAL A 16 1.360 3.811 -7.279 1.00 0.00 C ATOM 216 C VAL A 16 1.633 4.381 -8.667 1.00 0.00 C ATOM 217 O VAL A 16 1.379 5.557 -8.927 1.00 0.00 O ATOM 218 CB VAL A 16 -0.162 3.707 -7.069 1.00 0.00 C ATOM 219 CG1 VAL A 16 -0.766 2.694 -8.029 1.00 0.00 C ATOM 220 CG2 VAL A 16 -0.478 3.340 -5.627 1.00 0.00 C ATOM 0 H VAL A 16 1.335 5.211 -5.718 1.00 0.00 H new ATOM 0 HA VAL A 16 1.797 2.815 -7.204 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.606 4.680 -7.278 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.842 2.634 -7.866 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.572 3.005 -9.056 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.318 1.716 -7.855 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.558 3.271 -5.497 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.022 2.379 -5.388 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -0.081 4.106 -4.961 1.00 0.00 H new ATOM 230 N ASN A 17 2.153 3.539 -9.554 1.00 0.00 N ATOM 231 CA ASN A 17 2.461 3.959 -10.917 1.00 0.00 C ATOM 232 C ASN A 17 3.499 5.080 -10.926 1.00 0.00 C ATOM 233 O ASN A 17 3.630 5.808 -11.910 1.00 0.00 O ATOM 234 CB ASN A 17 1.189 4.422 -11.630 1.00 0.00 C ATOM 235 CG ASN A 17 0.186 3.300 -11.808 1.00 0.00 C ATOM 236 OD1 ASN A 17 -0.981 3.447 -11.190 1.00 0.00 O flip ATOM 237 ND2 ASN A 17 0.454 2.313 -12.492 1.00 0.00 N flip ATOM 0 H ASN A 17 2.370 2.563 -9.354 1.00 0.00 H new ATOM 0 HA ASN A 17 2.877 3.102 -11.446 1.00 0.00 H new ATOM 0 HB2 ASN A 17 0.730 5.229 -11.060 1.00 0.00 H new ATOM 0 HB3 ASN A 17 1.451 4.830 -12.606 1.00 0.00 H new ATOM 0 HD21 ASN A 17 1.363 2.241 -12.949 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -0.233 1.567 -12.602 1.00 0.00 H new ATOM 244 N GLY A 18 4.236 5.215 -9.826 1.00 0.00 N ATOM 245 CA GLY A 18 5.250 6.248 -9.735 1.00 0.00 C ATOM 246 C GLY A 18 4.683 7.642 -9.921 1.00 0.00 C ATOM 247 O GLY A 18 5.326 8.507 -10.516 1.00 0.00 O ATOM 0 H GLY A 18 4.148 4.627 -8.997 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.740 6.186 -8.763 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.015 6.068 -10.490 1.00 0.00 H new ATOM 251 N ASN A 19 3.475 7.863 -9.411 1.00 0.00 N ATOM 252 CA ASN A 19 2.824 9.163 -9.526 1.00 0.00 C ATOM 253 C ASN A 19 1.497 9.179 -8.771 1.00 0.00 C ATOM 254 O ASN A 19 0.531 9.801 -9.210 1.00 0.00 O ATOM 255 CB ASN A 19 2.593 9.514 -10.997 1.00 0.00 C ATOM 256 CG ASN A 19 1.623 8.567 -11.676 1.00 0.00 C ATOM 257 OD1 ASN A 19 1.720 7.348 -11.527 1.00 0.00 O ATOM 258 ND2 ASN A 19 0.679 9.123 -12.425 1.00 0.00 N ATOM 0 H ASN A 19 2.928 7.159 -8.915 1.00 0.00 H new ATOM 0 HA ASN A 19 3.482 9.910 -9.081 1.00 0.00 H new ATOM 0 HB2 ASN A 19 2.211 10.532 -11.068 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.546 9.493 -11.526 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.003 8.536 -12.905 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.636 10.138 -12.521 1.00 0.00 H new ATOM 265 N LYS A 20 1.459 8.493 -7.634 1.00 0.00 N ATOM 266 CA LYS A 20 0.251 8.429 -6.819 1.00 0.00 C ATOM 267 C LYS A 20 0.578 7.993 -5.393 1.00 0.00 C ATOM 268 O LYS A 20 0.605 6.799 -5.092 1.00 0.00 O ATOM 269 CB LYS A 20 -0.757 7.460 -7.441 1.00 0.00 C ATOM 270 CG LYS A 20 -1.483 8.029 -8.650 1.00 0.00 C ATOM 271 CD LYS A 20 -2.714 7.209 -8.998 1.00 0.00 C ATOM 272 CE LYS A 20 -2.901 7.094 -10.501 1.00 0.00 C ATOM 273 NZ LYS A 20 -2.780 8.415 -11.178 1.00 0.00 N ATOM 0 H LYS A 20 2.251 7.973 -7.256 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.187 9.427 -6.784 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.237 6.548 -7.736 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.491 7.179 -6.686 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.776 9.059 -8.448 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.806 8.052 -9.504 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.623 6.213 -8.565 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.597 7.670 -8.555 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.158 6.408 -10.908 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -3.881 6.666 -10.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.306 8.395 -12.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.172 9.157 -10.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.778 8.617 -11.369 1.00 0.00 H new ATOM 287 N PRO A 21 0.832 8.959 -4.492 1.00 0.00 N ATOM 288 CA PRO A 21 1.159 8.664 -3.093 1.00 0.00 C ATOM 289 C PRO A 21 -0.033 8.098 -2.327 1.00 0.00 C ATOM 290 O PRO A 21 -1.185 8.355 -2.674 1.00 0.00 O ATOM 291 CB PRO A 21 1.560 10.028 -2.524 1.00 0.00 C ATOM 292 CG PRO A 21 0.867 11.019 -3.391 1.00 0.00 C ATOM 293 CD PRO A 21 0.822 10.409 -4.764 1.00 0.00 C ATOM 0 HA PRO A 21 1.939 7.907 -3.009 1.00 0.00 H new ATOM 0 HB2 PRO A 21 1.252 10.129 -1.483 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.641 10.166 -2.551 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.138 11.224 -3.022 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.402 11.968 -3.403 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.073 10.710 -5.309 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.679 10.711 -5.367 1.00 0.00 H new ATOM 301 N GLY A 22 0.254 7.325 -1.284 1.00 0.00 N ATOM 302 CA GLY A 22 -0.804 6.736 -0.486 1.00 0.00 C ATOM 303 C GLY A 22 -0.270 5.974 0.711 1.00 0.00 C ATOM 304 O GLY A 22 0.833 5.430 0.668 1.00 0.00 O ATOM 0 H GLY A 22 1.200 7.097 -0.978 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.476 7.522 -0.142 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.393 6.062 -1.109 1.00 0.00 H new ATOM 308 N PHE A 23 -1.056 5.935 1.783 1.00 0.00 N ATOM 309 CA PHE A 23 -0.656 5.234 2.998 1.00 0.00 C ATOM 310 C PHE A 23 -1.115 3.780 2.963 1.00 0.00 C ATOM 311 O PHE A 23 -2.235 3.482 2.551 1.00 0.00 O ATOM 312 CB PHE A 23 -1.235 5.935 4.229 1.00 0.00 C ATOM 313 CG PHE A 23 -0.522 7.208 4.586 1.00 0.00 C ATOM 314 CD1 PHE A 23 -0.740 8.366 3.858 1.00 0.00 C ATOM 315 CD2 PHE A 23 0.365 7.246 5.650 1.00 0.00 C ATOM 316 CE1 PHE A 23 -0.087 9.540 4.184 1.00 0.00 C ATOM 317 CE2 PHE A 23 1.021 8.416 5.981 1.00 0.00 C ATOM 318 CZ PHE A 23 0.796 9.564 5.247 1.00 0.00 C ATOM 0 H PHE A 23 -1.972 6.380 1.835 1.00 0.00 H new ATOM 0 HA PHE A 23 0.432 5.251 3.057 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.287 6.156 4.050 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.192 5.254 5.079 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -1.428 8.352 3.026 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.546 6.351 6.227 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -0.266 10.437 3.609 1.00 0.00 H new ATOM 0 HE2 PHE A 23 1.709 8.433 6.813 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.309 10.479 5.503 1.00 0.00 H new ATOM 328 N ILE A 24 -0.240 2.879 3.398 1.00 0.00 N ATOM 329 CA ILE A 24 -0.556 1.455 3.416 1.00 0.00 C ATOM 330 C ILE A 24 -1.234 1.059 4.724 1.00 0.00 C ATOM 331 O ILE A 24 -0.732 1.351 5.808 1.00 0.00 O ATOM 332 CB ILE A 24 0.709 0.596 3.228 1.00 0.00 C ATOM 333 CG1 ILE A 24 1.523 1.101 2.034 1.00 0.00 C ATOM 334 CG2 ILE A 24 0.333 -0.866 3.040 1.00 0.00 C ATOM 335 CD1 ILE A 24 2.908 0.499 1.949 1.00 0.00 C ATOM 0 H ILE A 24 0.692 3.109 3.742 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.238 1.272 2.585 1.00 0.00 H new ATOM 0 HB ILE A 24 1.324 0.680 4.124 1.00 0.00 H new ATOM 0 HG12 ILE A 24 0.981 0.877 1.115 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.610 2.186 2.097 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.237 -1.460 2.908 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.208 -1.218 3.918 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -0.300 -0.968 2.159 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.427 0.902 1.079 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.467 0.744 2.852 1.00 0.00 H new ATOM 0 HD13 ILE A 24 2.829 -0.584 1.854 1.00 0.00 H new ATOM 347 N GLN A 25 -2.379 0.391 4.611 1.00 0.00 N ATOM 348 CA GLN A 25 -3.127 -0.045 5.785 1.00 0.00 C ATOM 349 C GLN A 25 -3.198 -1.567 5.849 1.00 0.00 C ATOM 350 O GLN A 25 -3.098 -2.158 6.925 1.00 0.00 O ATOM 351 CB GLN A 25 -4.540 0.542 5.762 1.00 0.00 C ATOM 352 CG GLN A 25 -4.568 2.057 5.643 1.00 0.00 C ATOM 353 CD GLN A 25 -4.233 2.750 6.949 1.00 0.00 C ATOM 354 OE1 GLN A 25 -5.117 3.263 7.638 1.00 0.00 O ATOM 355 NE2 GLN A 25 -2.952 2.771 7.298 1.00 0.00 N ATOM 0 H GLN A 25 -2.808 0.141 3.720 1.00 0.00 H new ATOM 0 HA GLN A 25 -2.606 0.315 6.672 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -5.090 0.110 4.926 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.061 0.248 6.673 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.859 2.371 4.877 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.557 2.374 5.311 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.253 2.334 6.698 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -2.667 3.224 8.166 1.00 0.00 H new ATOM 364 N PHE A 26 -3.373 -2.196 4.691 1.00 0.00 N ATOM 365 CA PHE A 26 -3.459 -3.651 4.617 1.00 0.00 C ATOM 366 C PHE A 26 -2.349 -4.218 3.738 1.00 0.00 C ATOM 367 O PHE A 26 -1.758 -3.503 2.928 1.00 0.00 O ATOM 368 CB PHE A 26 -4.823 -4.074 4.070 1.00 0.00 C ATOM 369 CG PHE A 26 -5.321 -5.374 4.637 1.00 0.00 C ATOM 370 CD1 PHE A 26 -5.746 -5.453 5.954 1.00 0.00 C ATOM 371 CD2 PHE A 26 -5.362 -6.516 3.853 1.00 0.00 C ATOM 372 CE1 PHE A 26 -6.203 -6.647 6.477 1.00 0.00 C ATOM 373 CE2 PHE A 26 -5.819 -7.713 4.372 1.00 0.00 C ATOM 374 CZ PHE A 26 -6.240 -7.779 5.685 1.00 0.00 C ATOM 0 H PHE A 26 -3.458 -1.722 3.792 1.00 0.00 H new ATOM 0 HA PHE A 26 -3.339 -4.049 5.625 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.550 -3.291 4.285 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.759 -4.161 2.985 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -5.720 -4.572 6.578 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -5.033 -6.470 2.825 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.531 -6.696 7.505 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.847 -8.596 3.751 1.00 0.00 H new ATOM 0 HZ PHE A 26 -6.597 -8.713 6.092 1.00 0.00 H new ATOM 384 N LEU A 27 -2.071 -5.507 3.903 1.00 0.00 N ATOM 385 CA LEU A 27 -1.032 -6.171 3.125 1.00 0.00 C ATOM 386 C LEU A 27 -1.317 -7.665 3.002 1.00 0.00 C ATOM 387 O LEU A 27 -1.861 -8.281 3.918 1.00 0.00 O ATOM 388 CB LEU A 27 0.338 -5.953 3.770 1.00 0.00 C ATOM 389 CG LEU A 27 1.015 -4.627 3.417 1.00 0.00 C ATOM 390 CD1 LEU A 27 2.370 -4.523 4.099 1.00 0.00 C ATOM 391 CD2 LEU A 27 1.162 -4.491 1.909 1.00 0.00 C ATOM 0 H LEU A 27 -2.551 -6.113 4.569 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.028 -5.736 2.126 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.226 -6.010 4.853 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.996 -6.770 3.474 1.00 0.00 H new ATOM 0 HG LEU A 27 0.387 -3.811 3.776 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.837 -3.574 3.837 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.238 -4.576 5.180 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.007 -5.344 3.770 1.00 0.00 H new ATOM 0 HD21 LEU A 27 1.645 -3.543 1.675 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.769 -5.312 1.527 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.177 -4.521 1.443 1.00 0.00 H new ATOM 403 N GLY A 28 -0.946 -8.241 1.862 1.00 0.00 N ATOM 404 CA GLY A 28 -1.171 -9.657 1.640 1.00 0.00 C ATOM 405 C GLY A 28 -2.223 -9.918 0.579 1.00 0.00 C ATOM 406 O GLY A 28 -2.709 -8.987 -0.062 1.00 0.00 O ATOM 0 H GLY A 28 -0.494 -7.752 1.089 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.234 -10.128 1.342 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -1.479 -10.124 2.575 1.00 0.00 H new ATOM 410 N GLU A 29 -2.574 -11.187 0.395 1.00 0.00 N ATOM 411 CA GLU A 29 -3.575 -11.565 -0.595 1.00 0.00 C ATOM 412 C GLU A 29 -4.978 -11.206 -0.117 1.00 0.00 C ATOM 413 O GLU A 29 -5.186 -10.913 1.061 1.00 0.00 O ATOM 414 CB GLU A 29 -3.491 -13.064 -0.888 1.00 0.00 C ATOM 415 CG GLU A 29 -3.672 -13.936 0.344 1.00 0.00 C ATOM 416 CD GLU A 29 -4.829 -14.907 0.210 1.00 0.00 C ATOM 417 OE1 GLU A 29 -5.970 -14.520 0.540 1.00 0.00 O ATOM 418 OE2 GLU A 29 -4.594 -16.054 -0.227 1.00 0.00 O ATOM 0 H GLU A 29 -2.180 -11.969 0.918 1.00 0.00 H new ATOM 0 HA GLU A 29 -3.371 -11.010 -1.511 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.252 -13.325 -1.623 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.524 -13.284 -1.340 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.754 -14.494 0.527 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -3.836 -13.299 1.213 1.00 0.00 H new ATOM 425 N THR A 30 -5.937 -11.232 -1.036 1.00 0.00 N ATOM 426 CA THR A 30 -7.320 -10.909 -0.709 1.00 0.00 C ATOM 427 C THR A 30 -8.214 -12.138 -0.849 1.00 0.00 C ATOM 428 O THR A 30 -7.738 -13.232 -1.154 1.00 0.00 O ATOM 429 CB THR A 30 -7.832 -9.787 -1.613 1.00 0.00 C ATOM 430 OG1 THR A 30 -7.627 -10.110 -2.977 1.00 0.00 O ATOM 431 CG2 THR A 30 -7.161 -8.455 -1.351 1.00 0.00 C ATOM 0 H THR A 30 -5.781 -11.474 -2.015 1.00 0.00 H new ATOM 0 HA THR A 30 -7.352 -10.574 0.328 1.00 0.00 H new ATOM 0 HB THR A 30 -8.894 -9.692 -1.384 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.341 -9.713 -3.518 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.570 -7.703 -2.026 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.341 -8.154 -0.319 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.088 -8.549 -1.519 1.00 0.00 H new ATOM 439 N GLN A 31 -9.509 -11.950 -0.626 1.00 0.00 N ATOM 440 CA GLN A 31 -10.470 -13.042 -0.728 1.00 0.00 C ATOM 441 C GLN A 31 -10.931 -13.229 -2.170 1.00 0.00 C ATOM 442 O GLN A 31 -11.172 -14.351 -2.614 1.00 0.00 O ATOM 443 CB GLN A 31 -11.676 -12.776 0.175 1.00 0.00 C ATOM 444 CG GLN A 31 -11.370 -12.925 1.657 1.00 0.00 C ATOM 445 CD GLN A 31 -11.993 -14.170 2.259 1.00 0.00 C ATOM 446 OE1 GLN A 31 -13.215 -14.301 2.316 1.00 0.00 O ATOM 447 NE2 GLN A 31 -11.150 -15.091 2.712 1.00 0.00 N ATOM 0 H GLN A 31 -9.919 -11.051 -0.373 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.976 -13.957 -0.402 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.044 -11.767 -0.012 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -12.479 -13.463 -0.093 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -10.290 -12.958 1.800 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -11.735 -12.047 2.190 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.144 -14.939 2.644 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.509 -15.950 3.128 1.00 0.00 H new ATOM 456 N PHE A 32 -11.053 -12.121 -2.895 1.00 0.00 N ATOM 457 CA PHE A 32 -11.485 -12.164 -4.287 1.00 0.00 C ATOM 458 C PHE A 32 -10.406 -12.774 -5.175 1.00 0.00 C ATOM 459 O PHE A 32 -10.706 -13.404 -6.189 1.00 0.00 O ATOM 460 CB PHE A 32 -11.833 -10.757 -4.777 1.00 0.00 C ATOM 461 CG PHE A 32 -10.703 -9.776 -4.636 1.00 0.00 C ATOM 462 CD1 PHE A 32 -9.691 -9.723 -5.582 1.00 0.00 C ATOM 463 CD2 PHE A 32 -10.654 -8.909 -3.557 1.00 0.00 C ATOM 464 CE1 PHE A 32 -8.652 -8.822 -5.453 1.00 0.00 C ATOM 465 CE2 PHE A 32 -9.617 -8.005 -3.423 1.00 0.00 C ATOM 466 CZ PHE A 32 -8.614 -7.962 -4.374 1.00 0.00 C ATOM 0 H PHE A 32 -10.859 -11.184 -2.542 1.00 0.00 H new ATOM 0 HA PHE A 32 -12.374 -12.792 -4.347 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -12.130 -10.809 -5.824 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -12.694 -10.389 -4.219 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.715 -10.393 -6.429 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.435 -8.940 -2.812 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.869 -8.790 -6.196 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -9.590 -7.334 -2.577 1.00 0.00 H new ATOM 0 HZ PHE A 32 -7.802 -7.257 -4.273 1.00 0.00 H new ATOM 476 N ALA A 33 -9.149 -12.582 -4.788 1.00 0.00 N ATOM 477 CA ALA A 33 -8.026 -13.115 -5.550 1.00 0.00 C ATOM 478 C ALA A 33 -7.013 -13.795 -4.632 1.00 0.00 C ATOM 479 O ALA A 33 -6.745 -13.317 -3.529 1.00 0.00 O ATOM 480 CB ALA A 33 -7.357 -12.006 -6.348 1.00 0.00 C ATOM 0 H ALA A 33 -8.883 -12.062 -3.952 1.00 0.00 H new ATOM 0 HA ALA A 33 -8.410 -13.864 -6.242 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.520 -12.418 -6.912 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -8.079 -11.567 -7.037 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.992 -11.237 -5.667 1.00 0.00 H new ATOM 486 N PRO A 34 -6.432 -14.926 -5.074 1.00 0.00 N ATOM 487 CA PRO A 34 -5.447 -15.667 -4.284 1.00 0.00 C ATOM 488 C PRO A 34 -4.083 -14.985 -4.270 1.00 0.00 C ATOM 489 O PRO A 34 -3.340 -15.081 -3.294 1.00 0.00 O ATOM 490 CB PRO A 34 -5.365 -17.013 -5.003 1.00 0.00 C ATOM 491 CG PRO A 34 -5.699 -16.700 -6.420 1.00 0.00 C ATOM 492 CD PRO A 34 -6.693 -15.570 -6.377 1.00 0.00 C ATOM 0 HA PRO A 34 -5.735 -15.743 -3.236 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -4.370 -17.449 -4.917 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -6.066 -17.732 -4.580 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -4.807 -16.413 -6.976 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.121 -17.571 -6.922 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.546 -14.875 -7.204 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -7.718 -15.935 -6.446 1.00 0.00 H new ATOM 500 N GLY A 35 -3.760 -14.298 -5.362 1.00 0.00 N ATOM 501 CA GLY A 35 -2.485 -13.612 -5.455 1.00 0.00 C ATOM 502 C GLY A 35 -2.294 -12.587 -4.354 1.00 0.00 C ATOM 503 O GLY A 35 -3.227 -12.281 -3.613 1.00 0.00 O ATOM 0 H GLY A 35 -4.358 -14.205 -6.183 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.678 -14.344 -5.409 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.412 -13.117 -6.424 1.00 0.00 H new ATOM 507 N GLN A 36 -1.080 -12.058 -4.247 1.00 0.00 N ATOM 508 CA GLN A 36 -0.767 -11.061 -3.228 1.00 0.00 C ATOM 509 C GLN A 36 -1.297 -9.688 -3.629 1.00 0.00 C ATOM 510 O GLN A 36 -1.616 -9.451 -4.794 1.00 0.00 O ATOM 511 CB GLN A 36 0.744 -10.993 -2.999 1.00 0.00 C ATOM 512 CG GLN A 36 1.219 -11.820 -1.815 1.00 0.00 C ATOM 513 CD GLN A 36 1.281 -13.302 -2.126 1.00 0.00 C ATOM 514 OE1 GLN A 36 2.028 -13.733 -3.005 1.00 0.00 O ATOM 515 NE2 GLN A 36 0.492 -14.092 -1.406 1.00 0.00 N ATOM 0 H GLN A 36 -0.297 -12.302 -4.853 1.00 0.00 H new ATOM 0 HA GLN A 36 -1.254 -11.360 -2.300 1.00 0.00 H new ATOM 0 HB2 GLN A 36 1.255 -11.336 -3.899 1.00 0.00 H new ATOM 0 HB3 GLN A 36 1.033 -9.953 -2.844 1.00 0.00 H new ATOM 0 HG2 GLN A 36 2.207 -11.475 -1.509 1.00 0.00 H new ATOM 0 HG3 GLN A 36 0.549 -11.657 -0.971 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -0.111 -13.692 -0.687 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.490 -15.098 -1.572 1.00 0.00 H new ATOM 524 N TRP A 37 -1.387 -8.788 -2.656 1.00 0.00 N ATOM 525 CA TRP A 37 -1.877 -7.438 -2.907 1.00 0.00 C ATOM 526 C TRP A 37 -1.334 -6.460 -1.869 1.00 0.00 C ATOM 527 O TRP A 37 -0.880 -6.865 -0.800 1.00 0.00 O ATOM 528 CB TRP A 37 -3.407 -7.417 -2.892 1.00 0.00 C ATOM 529 CG TRP A 37 -4.023 -8.227 -3.991 1.00 0.00 C ATOM 530 CD1 TRP A 37 -4.397 -9.539 -3.933 1.00 0.00 C ATOM 531 CD2 TRP A 37 -4.334 -7.779 -5.316 1.00 0.00 C ATOM 532 NE1 TRP A 37 -4.923 -9.933 -5.139 1.00 0.00 N ATOM 533 CE2 TRP A 37 -4.895 -8.870 -6.005 1.00 0.00 C ATOM 534 CE3 TRP A 37 -4.193 -6.560 -5.986 1.00 0.00 C ATOM 535 CZ2 TRP A 37 -5.314 -8.780 -7.329 1.00 0.00 C ATOM 536 CZ3 TRP A 37 -4.610 -6.471 -7.301 1.00 0.00 C ATOM 537 CH2 TRP A 37 -5.165 -7.574 -7.960 1.00 0.00 C ATOM 0 H TRP A 37 -1.127 -8.969 -1.686 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.525 -7.128 -3.891 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.759 -7.794 -1.932 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.750 -6.386 -2.975 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -4.294 -10.174 -3.066 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -5.277 -10.865 -5.355 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -3.766 -5.704 -5.485 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -5.741 -9.630 -7.840 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -4.506 -5.535 -7.829 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -5.482 -7.472 -8.987 1.00 0.00 H new ATOM 548 N ALA A 38 -1.383 -5.172 -2.195 1.00 0.00 N ATOM 549 CA ALA A 38 -0.895 -4.138 -1.290 1.00 0.00 C ATOM 550 C ALA A 38 -1.935 -3.039 -1.103 1.00 0.00 C ATOM 551 O ALA A 38 -2.116 -2.187 -1.973 1.00 0.00 O ATOM 552 CB ALA A 38 0.407 -3.552 -1.815 1.00 0.00 C ATOM 0 H ALA A 38 -1.755 -4.820 -3.077 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.709 -4.596 -0.318 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.761 -2.781 -1.131 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.156 -4.340 -1.892 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.238 -3.114 -2.799 1.00 0.00 H new ATOM 558 N GLY A 39 -2.614 -3.063 0.039 1.00 0.00 N ATOM 559 CA GLY A 39 -3.627 -2.062 0.321 1.00 0.00 C ATOM 560 C GLY A 39 -3.034 -0.686 0.551 1.00 0.00 C ATOM 561 O GLY A 39 -2.144 -0.517 1.385 1.00 0.00 O ATOM 0 H GLY A 39 -2.481 -3.757 0.774 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.330 -2.017 -0.511 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -4.194 -2.362 1.202 1.00 0.00 H new ATOM 565 N ILE A 40 -3.527 0.300 -0.192 1.00 0.00 N ATOM 566 CA ILE A 40 -3.040 1.668 -0.066 1.00 0.00 C ATOM 567 C ILE A 40 -4.198 2.657 0.026 1.00 0.00 C ATOM 568 O ILE A 40 -5.306 2.375 -0.430 1.00 0.00 O ATOM 569 CB ILE A 40 -2.141 2.058 -1.255 1.00 0.00 C ATOM 570 CG1 ILE A 40 -1.081 0.982 -1.495 1.00 0.00 C ATOM 571 CG2 ILE A 40 -1.487 3.408 -1.004 1.00 0.00 C ATOM 572 CD1 ILE A 40 -0.450 1.051 -2.869 1.00 0.00 C ATOM 0 H ILE A 40 -4.263 0.177 -0.887 1.00 0.00 H new ATOM 0 HA ILE A 40 -2.454 1.711 0.852 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.760 2.137 -2.149 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.300 1.078 -0.740 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.535 0.000 -1.361 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -0.855 3.670 -1.853 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.258 4.168 -0.878 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.878 3.355 -0.101 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.292 0.259 -2.969 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.220 0.925 -3.630 1.00 0.00 H new ATOM 0 HD13 ILE A 40 0.033 2.019 -2.999 1.00 0.00 H new ATOM 584 N VAL A 41 -3.933 3.817 0.620 1.00 0.00 N ATOM 585 CA VAL A 41 -4.952 4.848 0.772 1.00 0.00 C ATOM 586 C VAL A 41 -4.598 6.093 -0.035 1.00 0.00 C ATOM 587 O VAL A 41 -3.775 6.904 0.387 1.00 0.00 O ATOM 588 CB VAL A 41 -5.136 5.242 2.249 1.00 0.00 C ATOM 589 CG1 VAL A 41 -6.333 6.167 2.410 1.00 0.00 C ATOM 590 CG2 VAL A 41 -5.289 4.002 3.117 1.00 0.00 C ATOM 0 H VAL A 41 -3.021 4.066 1.004 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.886 4.428 0.397 1.00 0.00 H new ATOM 0 HB VAL A 41 -4.246 5.779 2.577 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.447 6.435 3.460 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.177 7.070 1.820 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -7.234 5.660 2.065 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.418 4.300 4.158 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.161 3.435 2.791 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.398 3.381 3.025 1.00 0.00 H new ATOM 600 N LEU A 42 -5.228 6.237 -1.196 1.00 0.00 N ATOM 601 CA LEU A 42 -4.980 7.385 -2.061 1.00 0.00 C ATOM 602 C LEU A 42 -5.410 8.681 -1.382 1.00 0.00 C ATOM 603 O LEU A 42 -6.420 8.721 -0.680 1.00 0.00 O ATOM 604 CB LEU A 42 -5.723 7.220 -3.388 1.00 0.00 C ATOM 605 CG LEU A 42 -5.480 5.891 -4.105 1.00 0.00 C ATOM 606 CD1 LEU A 42 -6.450 5.725 -5.265 1.00 0.00 C ATOM 607 CD2 LEU A 42 -4.042 5.805 -4.594 1.00 0.00 C ATOM 0 H LEU A 42 -5.913 5.574 -1.559 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.909 7.436 -2.256 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.792 7.326 -3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.432 8.033 -4.053 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.651 5.081 -3.396 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.262 4.774 -5.763 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.473 5.742 -4.889 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.311 6.540 -5.975 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -3.887 4.853 -5.102 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.844 6.623 -5.287 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -3.364 5.878 -3.744 1.00 0.00 H new ATOM 619 N ASP A 43 -4.635 9.739 -1.595 1.00 0.00 N ATOM 620 CA ASP A 43 -4.936 11.038 -1.003 1.00 0.00 C ATOM 621 C ASP A 43 -6.168 11.661 -1.652 1.00 0.00 C ATOM 622 O ASP A 43 -6.972 12.312 -0.985 1.00 0.00 O ATOM 623 CB ASP A 43 -3.738 11.978 -1.150 1.00 0.00 C ATOM 624 CG ASP A 43 -2.761 11.853 0.003 1.00 0.00 C ATOM 625 OD1 ASP A 43 -1.845 11.008 -0.084 1.00 0.00 O ATOM 626 OD2 ASP A 43 -2.911 12.601 0.993 1.00 0.00 O ATOM 0 H ASP A 43 -3.794 9.723 -2.173 1.00 0.00 H new ATOM 0 HA ASP A 43 -5.144 10.887 0.056 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -3.222 11.761 -2.085 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.092 13.007 -1.213 1.00 0.00 H new ATOM 631 N GLU A 44 -6.310 11.457 -2.958 1.00 0.00 N ATOM 632 CA GLU A 44 -7.444 11.998 -3.697 1.00 0.00 C ATOM 633 C GLU A 44 -8.386 10.882 -4.144 1.00 0.00 C ATOM 634 O GLU A 44 -7.969 9.736 -4.311 1.00 0.00 O ATOM 635 CB GLU A 44 -6.956 12.788 -4.913 1.00 0.00 C ATOM 636 CG GLU A 44 -6.332 14.127 -4.557 1.00 0.00 C ATOM 637 CD GLU A 44 -5.892 14.908 -5.780 1.00 0.00 C ATOM 638 OE1 GLU A 44 -4.892 14.508 -6.413 1.00 0.00 O ATOM 639 OE2 GLU A 44 -6.547 15.920 -6.105 1.00 0.00 O ATOM 0 H GLU A 44 -5.654 10.921 -3.526 1.00 0.00 H new ATOM 0 HA GLU A 44 -7.993 12.667 -3.034 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.225 12.189 -5.456 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.795 12.956 -5.588 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -7.051 14.720 -3.991 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.473 13.962 -3.907 1.00 0.00 H new ATOM 646 N PRO A 45 -9.675 11.205 -4.347 1.00 0.00 N ATOM 647 CA PRO A 45 -10.676 10.223 -4.777 1.00 0.00 C ATOM 648 C PRO A 45 -10.476 9.790 -6.226 1.00 0.00 C ATOM 649 O PRO A 45 -11.336 10.017 -7.078 1.00 0.00 O ATOM 650 CB PRO A 45 -12.000 10.974 -4.619 1.00 0.00 C ATOM 651 CG PRO A 45 -11.636 12.412 -4.755 1.00 0.00 C ATOM 652 CD PRO A 45 -10.257 12.550 -4.172 1.00 0.00 C ATOM 0 HA PRO A 45 -10.622 9.303 -4.196 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -12.719 10.674 -5.381 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -12.458 10.771 -3.651 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -11.650 12.720 -5.800 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.348 13.046 -4.226 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.675 13.310 -4.693 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.292 12.839 -3.122 1.00 0.00 H new ATOM 660 N ILE A 46 -9.335 9.166 -6.499 1.00 0.00 N ATOM 661 CA ILE A 46 -9.021 8.701 -7.845 1.00 0.00 C ATOM 662 C ILE A 46 -8.751 7.200 -7.858 1.00 0.00 C ATOM 663 O ILE A 46 -7.964 6.709 -8.669 1.00 0.00 O ATOM 664 CB ILE A 46 -7.797 9.436 -8.423 1.00 0.00 C ATOM 665 CG1 ILE A 46 -6.645 9.425 -7.416 1.00 0.00 C ATOM 666 CG2 ILE A 46 -8.166 10.863 -8.799 1.00 0.00 C ATOM 667 CD1 ILE A 46 -5.306 9.776 -8.026 1.00 0.00 C ATOM 0 H ILE A 46 -8.612 8.971 -5.806 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.891 8.917 -8.465 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.471 8.916 -9.324 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.866 10.130 -6.615 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -6.580 8.437 -6.961 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -7.291 11.370 -9.206 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -8.958 10.849 -9.548 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -8.514 11.394 -7.913 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -4.536 9.749 -7.255 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.062 9.056 -8.808 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.353 10.776 -8.456 1.00 0.00 H new ATOM 679 N GLY A 47 -9.407 6.477 -6.958 1.00 0.00 N ATOM 680 CA GLY A 47 -9.224 5.039 -6.884 1.00 0.00 C ATOM 681 C GLY A 47 -10.431 4.273 -7.387 1.00 0.00 C ATOM 682 O GLY A 47 -11.366 4.862 -7.930 1.00 0.00 O ATOM 0 H GLY A 47 -10.063 6.861 -6.278 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.349 4.757 -7.470 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -9.022 4.755 -5.851 1.00 0.00 H new ATOM 686 N LYS A 48 -10.411 2.957 -7.206 1.00 0.00 N ATOM 687 CA LYS A 48 -11.512 2.108 -7.646 1.00 0.00 C ATOM 688 C LYS A 48 -12.269 1.536 -6.451 1.00 0.00 C ATOM 689 O LYS A 48 -13.479 1.317 -6.517 1.00 0.00 O ATOM 690 CB LYS A 48 -10.986 0.970 -8.523 1.00 0.00 C ATOM 691 CG LYS A 48 -10.210 1.448 -9.738 1.00 0.00 C ATOM 692 CD LYS A 48 -11.078 1.460 -10.986 1.00 0.00 C ATOM 693 CE LYS A 48 -10.321 0.936 -12.196 1.00 0.00 C ATOM 694 NZ LYS A 48 -11.233 0.640 -13.336 1.00 0.00 N ATOM 0 H LYS A 48 -9.645 2.455 -6.758 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.200 2.720 -8.230 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.344 0.326 -7.922 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.826 0.361 -8.856 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.824 2.450 -9.553 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.349 0.799 -9.899 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.966 0.850 -10.819 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.421 2.476 -11.182 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.579 1.671 -12.506 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.778 0.032 -11.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.678 0.285 -14.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.926 -0.080 -13.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.732 1.508 -13.616 1.00 0.00 H new ATOM 708 N ASN A 49 -11.548 1.294 -5.360 1.00 0.00 N ATOM 709 CA ASN A 49 -12.152 0.747 -4.151 1.00 0.00 C ATOM 710 C ASN A 49 -12.010 1.719 -2.984 1.00 0.00 C ATOM 711 O ASN A 49 -11.306 2.724 -3.081 1.00 0.00 O ATOM 712 CB ASN A 49 -11.504 -0.592 -3.795 1.00 0.00 C ATOM 713 CG ASN A 49 -11.861 -1.688 -4.781 1.00 0.00 C ATOM 714 OD1 ASN A 49 -12.925 -1.660 -5.399 1.00 0.00 O ATOM 715 ND2 ASN A 49 -10.970 -2.660 -4.932 1.00 0.00 N ATOM 0 H ASN A 49 -10.545 1.468 -5.289 1.00 0.00 H new ATOM 0 HA ASN A 49 -13.213 0.591 -4.343 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.421 -0.472 -3.766 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -11.819 -0.890 -2.795 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.154 -3.425 -5.581 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.101 -2.642 -4.399 1.00 0.00 H new ATOM 722 N ASP A 50 -12.686 1.412 -1.880 1.00 0.00 N ATOM 723 CA ASP A 50 -12.636 2.257 -0.692 1.00 0.00 C ATOM 724 C ASP A 50 -12.541 1.408 0.572 1.00 0.00 C ATOM 725 O ASP A 50 -13.271 1.631 1.539 1.00 0.00 O ATOM 726 CB ASP A 50 -13.871 3.157 -0.629 1.00 0.00 C ATOM 727 CG ASP A 50 -15.163 2.376 -0.774 1.00 0.00 C ATOM 728 OD1 ASP A 50 -15.308 1.649 -1.778 1.00 0.00 O ATOM 729 OD2 ASP A 50 -16.030 2.494 0.118 1.00 0.00 O ATOM 0 H ASP A 50 -13.274 0.584 -1.784 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.745 2.882 -0.755 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.878 3.693 0.320 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -13.812 3.906 -1.418 1.00 0.00 H new ATOM 734 N GLY A 51 -11.636 0.436 0.559 1.00 0.00 N ATOM 735 CA GLY A 51 -11.462 -0.432 1.709 1.00 0.00 C ATOM 736 C GLY A 51 -12.430 -1.599 1.709 1.00 0.00 C ATOM 737 O GLY A 51 -12.696 -2.194 2.754 1.00 0.00 O ATOM 0 H GLY A 51 -11.019 0.233 -0.228 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.440 -0.812 1.722 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -11.598 0.148 2.622 1.00 0.00 H new ATOM 741 N SER A 52 -12.960 -1.930 0.534 1.00 0.00 N ATOM 742 CA SER A 52 -13.903 -3.034 0.404 1.00 0.00 C ATOM 743 C SER A 52 -13.977 -3.518 -1.040 1.00 0.00 C ATOM 744 O SER A 52 -14.237 -2.734 -1.954 1.00 0.00 O ATOM 745 CB SER A 52 -15.292 -2.606 0.883 1.00 0.00 C ATOM 746 OG SER A 52 -16.034 -3.717 1.352 1.00 0.00 O ATOM 0 H SER A 52 -12.752 -1.449 -0.341 1.00 0.00 H new ATOM 0 HA SER A 52 -13.550 -3.856 1.026 1.00 0.00 H new ATOM 0 HB2 SER A 52 -15.194 -1.868 1.679 1.00 0.00 H new ATOM 0 HB3 SER A 52 -15.829 -2.124 0.066 1.00 0.00 H new ATOM 0 HG SER A 52 -16.917 -3.417 1.654 1.00 0.00 H new ATOM 752 N VAL A 53 -13.747 -4.811 -1.240 1.00 0.00 N ATOM 753 CA VAL A 53 -13.789 -5.398 -2.574 1.00 0.00 C ATOM 754 C VAL A 53 -14.813 -6.526 -2.647 1.00 0.00 C ATOM 755 O VAL A 53 -14.623 -7.588 -2.055 1.00 0.00 O ATOM 756 CB VAL A 53 -12.411 -5.942 -2.992 1.00 0.00 C ATOM 757 CG1 VAL A 53 -12.424 -6.366 -4.453 1.00 0.00 C ATOM 758 CG2 VAL A 53 -11.328 -4.902 -2.742 1.00 0.00 C ATOM 0 H VAL A 53 -13.529 -5.473 -0.495 1.00 0.00 H new ATOM 0 HA VAL A 53 -14.080 -4.603 -3.260 1.00 0.00 H new ATOM 0 HB VAL A 53 -12.188 -6.819 -2.385 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -11.441 -6.748 -4.730 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -13.171 -7.147 -4.599 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -12.669 -5.508 -5.079 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -10.361 -5.304 -3.043 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -11.544 -4.005 -3.322 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -11.302 -4.651 -1.682 1.00 0.00 H new ATOM 768 N ALA A 54 -15.897 -6.287 -3.377 1.00 0.00 N ATOM 769 CA ALA A 54 -16.952 -7.282 -3.527 1.00 0.00 C ATOM 770 C ALA A 54 -17.556 -7.649 -2.177 1.00 0.00 C ATOM 771 O ALA A 54 -17.993 -8.781 -1.968 1.00 0.00 O ATOM 772 CB ALA A 54 -16.408 -8.523 -4.219 1.00 0.00 C ATOM 0 H ALA A 54 -16.068 -5.413 -3.874 1.00 0.00 H new ATOM 0 HA ALA A 54 -17.741 -6.851 -4.143 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -17.205 -9.259 -4.325 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -16.029 -8.253 -5.205 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -15.600 -8.947 -3.623 1.00 0.00 H new ATOM 778 N GLY A 55 -17.577 -6.685 -1.261 1.00 0.00 N ATOM 779 CA GLY A 55 -18.130 -6.927 0.057 1.00 0.00 C ATOM 780 C GLY A 55 -17.058 -7.175 1.100 1.00 0.00 C ATOM 781 O GLY A 55 -17.251 -6.886 2.280 1.00 0.00 O ATOM 0 H GLY A 55 -17.221 -5.741 -1.409 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -18.733 -6.070 0.357 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -18.797 -7.788 0.015 1.00 0.00 H new ATOM 785 N VAL A 56 -15.925 -7.715 0.662 1.00 0.00 N ATOM 786 CA VAL A 56 -14.818 -8.002 1.566 1.00 0.00 C ATOM 787 C VAL A 56 -14.124 -6.720 2.012 1.00 0.00 C ATOM 788 O VAL A 56 -13.426 -6.075 1.230 1.00 0.00 O ATOM 789 CB VAL A 56 -13.779 -8.928 0.905 1.00 0.00 C ATOM 790 CG1 VAL A 56 -12.742 -9.380 1.922 1.00 0.00 C ATOM 791 CG2 VAL A 56 -14.464 -10.126 0.263 1.00 0.00 C ATOM 0 H VAL A 56 -15.750 -7.962 -0.312 1.00 0.00 H new ATOM 0 HA VAL A 56 -15.243 -8.504 2.435 1.00 0.00 H new ATOM 0 HB VAL A 56 -13.266 -8.368 0.123 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -12.017 -10.033 1.437 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -12.229 -8.509 2.331 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -13.236 -9.922 2.729 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -13.715 -10.769 -0.199 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -15.004 -10.688 1.025 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -15.164 -9.780 -0.498 1.00 0.00 H new ATOM 801 N ARG A 57 -14.321 -6.355 3.274 1.00 0.00 N ATOM 802 CA ARG A 57 -13.714 -5.148 3.825 1.00 0.00 C ATOM 803 C ARG A 57 -12.322 -5.442 4.374 1.00 0.00 C ATOM 804 O ARG A 57 -12.050 -6.547 4.845 1.00 0.00 O ATOM 805 CB ARG A 57 -14.599 -4.565 4.928 1.00 0.00 C ATOM 806 CG ARG A 57 -14.052 -3.281 5.530 1.00 0.00 C ATOM 807 CD ARG A 57 -15.148 -2.471 6.205 1.00 0.00 C ATOM 808 NE ARG A 57 -15.624 -3.108 7.431 1.00 0.00 N ATOM 809 CZ ARG A 57 -16.767 -2.794 8.033 1.00 0.00 C ATOM 810 NH1 ARG A 57 -17.556 -1.852 7.529 1.00 0.00 N ATOM 811 NH2 ARG A 57 -17.126 -3.423 9.144 1.00 0.00 N ATOM 0 H ARG A 57 -14.896 -6.877 3.935 1.00 0.00 H new ATOM 0 HA ARG A 57 -13.621 -4.418 3.021 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -15.592 -4.372 4.522 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -14.716 -5.306 5.718 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -13.275 -3.520 6.256 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -13.584 -2.682 4.749 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -14.772 -1.475 6.437 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -15.982 -2.344 5.515 1.00 0.00 H new ATOM 0 HE ARG A 57 -15.045 -3.836 7.849 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -17.286 -1.364 6.675 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -18.432 -1.616 7.996 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -16.525 -4.148 9.537 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -18.003 -3.182 9.606 1.00 0.00 H new ATOM 825 N TYR A 58 -11.445 -4.446 4.312 1.00 0.00 N ATOM 826 CA TYR A 58 -10.080 -4.598 4.804 1.00 0.00 C ATOM 827 C TYR A 58 -9.721 -3.469 5.764 1.00 0.00 C ATOM 828 O TYR A 58 -9.502 -3.698 6.954 1.00 0.00 O ATOM 829 CB TYR A 58 -9.094 -4.622 3.634 1.00 0.00 C ATOM 830 CG TYR A 58 -9.452 -5.626 2.561 1.00 0.00 C ATOM 831 CD1 TYR A 58 -10.418 -5.336 1.606 1.00 0.00 C ATOM 832 CD2 TYR A 58 -8.824 -6.864 2.505 1.00 0.00 C ATOM 833 CE1 TYR A 58 -10.749 -6.250 0.625 1.00 0.00 C ATOM 834 CE2 TYR A 58 -9.149 -7.784 1.526 1.00 0.00 C ATOM 835 CZ TYR A 58 -10.111 -7.472 0.589 1.00 0.00 C ATOM 836 OH TYR A 58 -10.438 -8.386 -0.387 1.00 0.00 O ATOM 0 H TYR A 58 -11.654 -3.525 3.926 1.00 0.00 H new ATOM 0 HA TYR A 58 -10.016 -5.543 5.343 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -9.047 -3.628 3.189 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -8.098 -4.848 4.014 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -10.919 -4.379 1.631 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -8.070 -7.111 3.238 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -11.503 -6.009 -0.110 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -8.652 -8.742 1.495 1.00 0.00 H new ATOM 0 HH TYR A 58 -10.160 -8.043 -1.262 1.00 0.00 H new ATOM 846 N PHE A 59 -9.662 -2.248 5.240 1.00 0.00 N ATOM 847 CA PHE A 59 -9.331 -1.083 6.051 1.00 0.00 C ATOM 848 C PHE A 59 -10.320 0.051 5.803 1.00 0.00 C ATOM 849 O PHE A 59 -10.738 0.287 4.670 1.00 0.00 O ATOM 850 CB PHE A 59 -7.908 -0.611 5.746 1.00 0.00 C ATOM 851 CG PHE A 59 -7.646 -0.397 4.282 1.00 0.00 C ATOM 852 CD1 PHE A 59 -7.370 -1.471 3.451 1.00 0.00 C ATOM 853 CD2 PHE A 59 -7.675 0.877 3.738 1.00 0.00 C ATOM 854 CE1 PHE A 59 -7.129 -1.277 2.104 1.00 0.00 C ATOM 855 CE2 PHE A 59 -7.434 1.077 2.393 1.00 0.00 C ATOM 856 CZ PHE A 59 -7.161 -0.002 1.574 1.00 0.00 C ATOM 0 H PHE A 59 -9.839 -2.041 4.257 1.00 0.00 H new ATOM 0 HA PHE A 59 -9.393 -1.372 7.100 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -7.721 0.321 6.280 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -7.200 -1.346 6.130 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.343 -2.470 3.860 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -7.889 1.724 4.373 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -6.916 -2.122 1.466 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.459 2.075 1.982 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.973 0.151 0.522 1.00 0.00 H new ATOM 866 N GLN A 60 -10.689 0.752 6.871 1.00 0.00 N ATOM 867 CA GLN A 60 -11.628 1.862 6.769 1.00 0.00 C ATOM 868 C GLN A 60 -10.949 3.098 6.188 1.00 0.00 C ATOM 869 O GLN A 60 -9.988 3.616 6.757 1.00 0.00 O ATOM 870 CB GLN A 60 -12.218 2.186 8.143 1.00 0.00 C ATOM 871 CG GLN A 60 -13.687 2.576 8.098 1.00 0.00 C ATOM 872 CD GLN A 60 -13.889 4.069 7.928 1.00 0.00 C ATOM 873 OE1 GLN A 60 -13.525 4.643 6.902 1.00 0.00 O ATOM 874 NE2 GLN A 60 -14.472 4.706 8.936 1.00 0.00 N ATOM 0 H GLN A 60 -10.352 0.570 7.816 1.00 0.00 H new ATOM 0 HA GLN A 60 -12.433 1.564 6.097 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -12.101 1.319 8.793 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -11.648 3.000 8.591 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -14.173 2.051 7.276 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -14.174 2.249 9.017 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -14.758 4.190 9.768 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -14.634 5.711 8.878 1.00 0.00 H new ATOM 883 N CYS A 61 -11.456 3.568 5.053 1.00 0.00 N ATOM 884 CA CYS A 61 -10.898 4.744 4.395 1.00 0.00 C ATOM 885 C CYS A 61 -11.992 5.547 3.698 1.00 0.00 C ATOM 886 O CYS A 61 -13.178 5.242 3.826 1.00 0.00 O ATOM 887 CB CYS A 61 -9.829 4.330 3.383 1.00 0.00 C ATOM 888 SG CYS A 61 -10.456 3.336 2.010 1.00 0.00 S ATOM 0 H CYS A 61 -12.252 3.153 4.570 1.00 0.00 H new ATOM 0 HA CYS A 61 -10.440 5.373 5.158 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -9.357 5.227 2.982 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.053 3.766 3.901 1.00 0.00 H new ATOM 0 HG CYS A 61 -9.651 2.339 1.793 1.00 0.00 H new ATOM 894 N GLU A 62 -11.586 6.576 2.961 1.00 0.00 N ATOM 895 CA GLU A 62 -12.532 7.424 2.244 1.00 0.00 C ATOM 896 C GLU A 62 -12.869 6.833 0.877 1.00 0.00 C ATOM 897 O GLU A 62 -12.098 6.049 0.323 1.00 0.00 O ATOM 898 CB GLU A 62 -11.962 8.832 2.074 1.00 0.00 C ATOM 899 CG GLU A 62 -12.164 9.722 3.290 1.00 0.00 C ATOM 900 CD GLU A 62 -13.187 10.816 3.050 1.00 0.00 C ATOM 901 OE1 GLU A 62 -14.293 10.498 2.566 1.00 0.00 O ATOM 902 OE2 GLU A 62 -12.881 11.990 3.348 1.00 0.00 O ATOM 0 H GLU A 62 -10.608 6.843 2.845 1.00 0.00 H new ATOM 0 HA GLU A 62 -13.448 7.478 2.833 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.896 8.760 1.860 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -12.429 9.302 1.209 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -12.483 9.110 4.134 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.212 10.175 3.566 1.00 0.00 H new ATOM 909 N PRO A 63 -14.032 7.203 0.314 1.00 0.00 N ATOM 910 CA PRO A 63 -14.469 6.706 -0.995 1.00 0.00 C ATOM 911 C PRO A 63 -13.463 7.011 -2.099 1.00 0.00 C ATOM 912 O PRO A 63 -12.875 8.093 -2.136 1.00 0.00 O ATOM 913 CB PRO A 63 -15.780 7.457 -1.250 1.00 0.00 C ATOM 914 CG PRO A 63 -16.252 7.876 0.098 1.00 0.00 C ATOM 915 CD PRO A 63 -15.012 8.131 0.905 1.00 0.00 C ATOM 0 HA PRO A 63 -14.577 5.621 -0.997 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -15.622 8.319 -1.898 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -16.512 6.817 -1.743 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.869 8.773 0.035 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -16.864 7.100 0.557 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.685 9.168 0.825 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.171 7.928 1.964 1.00 0.00 H new ATOM 923 N LEU A 64 -13.272 6.052 -3.000 1.00 0.00 N ATOM 924 CA LEU A 64 -12.342 6.218 -4.110 1.00 0.00 C ATOM 925 C LEU A 64 -10.939 6.554 -3.612 1.00 0.00 C ATOM 926 O LEU A 64 -10.154 7.186 -4.320 1.00 0.00 O ATOM 927 CB LEU A 64 -12.837 7.315 -5.054 1.00 0.00 C ATOM 928 CG LEU A 64 -14.312 7.214 -5.446 1.00 0.00 C ATOM 929 CD1 LEU A 64 -14.907 8.599 -5.647 1.00 0.00 C ATOM 930 CD2 LEU A 64 -14.470 6.377 -6.707 1.00 0.00 C ATOM 0 H LEU A 64 -13.750 5.151 -2.982 1.00 0.00 H new ATOM 0 HA LEU A 64 -12.293 5.273 -4.650 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.668 8.283 -4.582 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.233 7.292 -5.961 1.00 0.00 H new ATOM 0 HG LEU A 64 -14.852 6.723 -4.636 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.957 8.507 -5.925 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -14.826 9.168 -4.721 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -14.366 9.116 -6.439 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -15.525 6.315 -6.973 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.917 6.841 -7.524 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -14.081 5.374 -6.529 1.00 0.00 H new ATOM 942 N LYS A 65 -10.627 6.129 -2.391 1.00 0.00 N ATOM 943 CA LYS A 65 -9.318 6.387 -1.804 1.00 0.00 C ATOM 944 C LYS A 65 -8.665 5.090 -1.339 1.00 0.00 C ATOM 945 O LYS A 65 -8.019 5.049 -0.291 1.00 0.00 O ATOM 946 CB LYS A 65 -9.443 7.361 -0.631 1.00 0.00 C ATOM 947 CG LYS A 65 -10.093 8.684 -1.005 1.00 0.00 C ATOM 948 CD LYS A 65 -9.261 9.868 -0.536 1.00 0.00 C ATOM 949 CE LYS A 65 -10.033 11.172 -0.657 1.00 0.00 C ATOM 950 NZ LYS A 65 -10.960 11.377 0.490 1.00 0.00 N ATOM 0 H LYS A 65 -11.263 5.605 -1.790 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.686 6.835 -2.571 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -10.026 6.890 0.161 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.451 7.555 -0.224 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.222 8.734 -2.086 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.088 8.739 -0.563 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -8.961 9.716 0.501 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -8.347 9.929 -1.126 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.332 12.005 -0.711 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.601 11.173 -1.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -11.034 12.393 0.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.900 11.004 0.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.594 10.877 1.325 1.00 0.00 H new ATOM 964 N GLY A 66 -8.838 4.032 -2.124 1.00 0.00 N ATOM 965 CA GLY A 66 -8.260 2.748 -1.777 1.00 0.00 C ATOM 966 C GLY A 66 -8.176 1.809 -2.964 1.00 0.00 C ATOM 967 O GLY A 66 -9.177 1.556 -3.635 1.00 0.00 O ATOM 0 H GLY A 66 -9.369 4.041 -2.995 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.261 2.901 -1.368 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -8.858 2.284 -0.993 1.00 0.00 H new ATOM 971 N ILE A 67 -6.980 1.293 -3.225 1.00 0.00 N ATOM 972 CA ILE A 67 -6.769 0.377 -4.338 1.00 0.00 C ATOM 973 C ILE A 67 -5.744 -0.695 -3.981 1.00 0.00 C ATOM 974 O ILE A 67 -4.893 -0.489 -3.115 1.00 0.00 O ATOM 975 CB ILE A 67 -6.300 1.129 -5.602 1.00 0.00 C ATOM 976 CG1 ILE A 67 -6.187 0.166 -6.786 1.00 0.00 C ATOM 977 CG2 ILE A 67 -4.970 1.822 -5.347 1.00 0.00 C ATOM 978 CD1 ILE A 67 -5.969 0.861 -8.112 1.00 0.00 C ATOM 0 H ILE A 67 -6.142 1.494 -2.680 1.00 0.00 H new ATOM 0 HA ILE A 67 -7.727 -0.100 -4.545 1.00 0.00 H new ATOM 0 HB ILE A 67 -7.041 1.890 -5.847 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -5.362 -0.523 -6.606 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -7.095 -0.433 -6.844 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.655 2.347 -6.249 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.082 2.537 -4.532 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.219 1.080 -5.078 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -5.898 0.117 -8.905 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.806 1.529 -8.315 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -5.045 1.438 -8.073 1.00 0.00 H new ATOM 990 N PHE A 68 -5.832 -1.838 -4.653 1.00 0.00 N ATOM 991 CA PHE A 68 -4.912 -2.942 -4.406 1.00 0.00 C ATOM 992 C PHE A 68 -4.053 -3.222 -5.635 1.00 0.00 C ATOM 993 O PHE A 68 -4.565 -3.597 -6.689 1.00 0.00 O ATOM 994 CB PHE A 68 -5.688 -4.202 -4.014 1.00 0.00 C ATOM 995 CG PHE A 68 -6.390 -4.084 -2.690 1.00 0.00 C ATOM 996 CD1 PHE A 68 -7.652 -3.517 -2.609 1.00 0.00 C ATOM 997 CD2 PHE A 68 -5.788 -4.541 -1.530 1.00 0.00 C ATOM 998 CE1 PHE A 68 -8.301 -3.409 -1.393 1.00 0.00 C ATOM 999 CE2 PHE A 68 -6.432 -4.436 -0.311 1.00 0.00 C ATOM 1000 CZ PHE A 68 -7.690 -3.869 -0.244 1.00 0.00 C ATOM 0 H PHE A 68 -6.531 -2.024 -5.372 1.00 0.00 H new ATOM 0 HA PHE A 68 -4.255 -2.657 -3.584 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -6.423 -4.422 -4.788 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.000 -5.047 -3.978 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -8.134 -3.156 -3.506 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -4.804 -4.984 -1.578 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -9.284 -2.965 -1.342 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.953 -4.797 0.587 1.00 0.00 H new ATOM 0 HZ PHE A 68 -8.195 -3.786 0.707 1.00 0.00 H new ATOM 1010 N THR A 69 -2.745 -3.035 -5.490 1.00 0.00 N ATOM 1011 CA THR A 69 -1.815 -3.266 -6.588 1.00 0.00 C ATOM 1012 C THR A 69 -0.633 -4.114 -6.130 1.00 0.00 C ATOM 1013 O THR A 69 -0.335 -4.188 -4.938 1.00 0.00 O ATOM 1014 CB THR A 69 -1.314 -1.934 -7.149 1.00 0.00 C ATOM 1015 OG1 THR A 69 -0.413 -2.147 -8.221 1.00 0.00 O ATOM 1016 CG2 THR A 69 -0.608 -1.079 -6.119 1.00 0.00 C ATOM 0 H THR A 69 -2.306 -2.724 -4.623 1.00 0.00 H new ATOM 0 HA THR A 69 -2.345 -3.806 -7.372 1.00 0.00 H new ATOM 0 HB THR A 69 -2.208 -1.408 -7.484 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.106 -1.283 -8.567 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.278 -0.149 -6.582 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.293 -0.854 -5.302 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.256 -1.617 -5.730 1.00 0.00 H new ATOM 1024 N ARG A 70 0.038 -4.751 -7.083 1.00 0.00 N ATOM 1025 CA ARG A 70 1.188 -5.592 -6.775 1.00 0.00 C ATOM 1026 C ARG A 70 2.300 -4.773 -6.119 1.00 0.00 C ATOM 1027 O ARG A 70 2.718 -3.746 -6.653 1.00 0.00 O ATOM 1028 CB ARG A 70 1.715 -6.257 -8.049 1.00 0.00 C ATOM 1029 CG ARG A 70 0.639 -6.963 -8.856 1.00 0.00 C ATOM 1030 CD ARG A 70 1.221 -8.095 -9.687 1.00 0.00 C ATOM 1031 NE ARG A 70 0.237 -9.145 -9.948 1.00 0.00 N ATOM 1032 CZ ARG A 70 0.509 -10.268 -10.607 1.00 0.00 C ATOM 1033 NH1 ARG A 70 1.731 -10.492 -11.075 1.00 0.00 N ATOM 1034 NH2 ARG A 70 -0.443 -11.170 -10.800 1.00 0.00 N ATOM 0 H ARG A 70 -0.195 -4.701 -8.075 1.00 0.00 H new ATOM 0 HA ARG A 70 0.866 -6.364 -6.076 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.189 -5.500 -8.674 1.00 0.00 H new ATOM 0 HB3 ARG A 70 2.487 -6.978 -7.780 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -0.122 -7.358 -8.183 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.144 -6.246 -9.511 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.588 -7.698 -10.634 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.078 -8.523 -9.167 1.00 0.00 H new ATOM 0 HE ARG A 70 -0.714 -9.008 -9.605 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.467 -9.801 -10.930 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.934 -11.355 -11.580 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -1.384 -11.003 -10.443 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -0.235 -12.031 -11.305 1.00 0.00 H new ATOM 1048 N PRO A 71 2.797 -5.214 -4.948 1.00 0.00 N ATOM 1049 CA PRO A 71 3.864 -4.507 -4.231 1.00 0.00 C ATOM 1050 C PRO A 71 5.102 -4.299 -5.098 1.00 0.00 C ATOM 1051 O PRO A 71 5.767 -3.268 -5.012 1.00 0.00 O ATOM 1052 CB PRO A 71 4.189 -5.433 -3.056 1.00 0.00 C ATOM 1053 CG PRO A 71 2.965 -6.259 -2.867 1.00 0.00 C ATOM 1054 CD PRO A 71 2.364 -6.429 -4.233 1.00 0.00 C ATOM 0 HA PRO A 71 3.552 -3.508 -3.927 1.00 0.00 H new ATOM 0 HB2 PRO A 71 5.056 -6.056 -3.273 1.00 0.00 H new ATOM 0 HB3 PRO A 71 4.423 -4.863 -2.157 1.00 0.00 H new ATOM 0 HG2 PRO A 71 3.211 -7.225 -2.426 1.00 0.00 H new ATOM 0 HG3 PRO A 71 2.264 -5.769 -2.191 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.726 -7.334 -4.722 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.277 -6.504 -4.188 1.00 0.00 H new ATOM 1062 N SER A 72 5.405 -5.289 -5.932 1.00 0.00 N ATOM 1063 CA SER A 72 6.564 -5.218 -6.814 1.00 0.00 C ATOM 1064 C SER A 72 6.491 -3.991 -7.719 1.00 0.00 C ATOM 1065 O SER A 72 7.516 -3.467 -8.153 1.00 0.00 O ATOM 1066 CB SER A 72 6.662 -6.486 -7.663 1.00 0.00 C ATOM 1067 OG SER A 72 5.727 -6.461 -8.728 1.00 0.00 O ATOM 0 H SER A 72 4.864 -6.150 -6.015 1.00 0.00 H new ATOM 0 HA SER A 72 7.455 -5.133 -6.192 1.00 0.00 H new ATOM 0 HB2 SER A 72 7.671 -6.582 -8.063 1.00 0.00 H new ATOM 0 HB3 SER A 72 6.482 -7.361 -7.038 1.00 0.00 H new ATOM 0 HG SER A 72 5.811 -7.282 -9.257 1.00 0.00 H new ATOM 1073 N LYS A 73 5.272 -3.539 -8.001 1.00 0.00 N ATOM 1074 CA LYS A 73 5.069 -2.375 -8.857 1.00 0.00 C ATOM 1075 C LYS A 73 4.853 -1.114 -8.024 1.00 0.00 C ATOM 1076 O LYS A 73 4.103 -0.220 -8.417 1.00 0.00 O ATOM 1077 CB LYS A 73 3.871 -2.600 -9.781 1.00 0.00 C ATOM 1078 CG LYS A 73 4.130 -3.624 -10.873 1.00 0.00 C ATOM 1079 CD LYS A 73 5.098 -3.093 -11.918 1.00 0.00 C ATOM 1080 CE LYS A 73 4.427 -2.085 -12.836 1.00 0.00 C ATOM 1081 NZ LYS A 73 3.243 -2.664 -13.528 1.00 0.00 N ATOM 0 H LYS A 73 4.412 -3.960 -7.650 1.00 0.00 H new ATOM 0 HA LYS A 73 5.966 -2.239 -9.460 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.018 -2.925 -9.184 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.595 -1.652 -10.242 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.534 -4.534 -10.431 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.188 -3.893 -11.351 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.949 -2.626 -11.423 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.488 -3.922 -12.509 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.119 -1.215 -12.256 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.145 -1.735 -13.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.041 -2.115 -14.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.440 -3.652 -13.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.419 -2.630 -12.894 1.00 0.00 H new ATOM 1095 N LEU A 74 5.515 -1.049 -6.873 1.00 0.00 N ATOM 1096 CA LEU A 74 5.394 0.104 -5.988 1.00 0.00 C ATOM 1097 C LEU A 74 6.660 0.955 -6.025 1.00 0.00 C ATOM 1098 O LEU A 74 7.658 0.572 -6.637 1.00 0.00 O ATOM 1099 CB LEU A 74 5.115 -0.351 -4.555 1.00 0.00 C ATOM 1100 CG LEU A 74 3.692 -0.852 -4.300 1.00 0.00 C ATOM 1101 CD1 LEU A 74 3.524 -1.268 -2.847 1.00 0.00 C ATOM 1102 CD2 LEU A 74 2.677 0.221 -4.669 1.00 0.00 C ATOM 0 H LEU A 74 6.140 -1.780 -6.532 1.00 0.00 H new ATOM 0 HA LEU A 74 4.559 0.711 -6.338 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.815 -1.146 -4.300 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.318 0.481 -3.880 1.00 0.00 H new ATOM 0 HG LEU A 74 3.516 -1.725 -4.929 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.506 -1.621 -2.685 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.227 -2.068 -2.614 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.719 -0.413 -2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.670 -0.151 -4.482 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.853 1.111 -4.065 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.781 0.472 -5.725 1.00 0.00 H new ATOM 1114 N THR A 75 6.612 2.108 -5.369 1.00 0.00 N ATOM 1115 CA THR A 75 7.754 3.012 -5.326 1.00 0.00 C ATOM 1116 C THR A 75 7.720 3.876 -4.069 1.00 0.00 C ATOM 1117 O THR A 75 6.655 4.120 -3.501 1.00 0.00 O ATOM 1118 CB THR A 75 7.774 3.903 -6.569 1.00 0.00 C ATOM 1119 OG1 THR A 75 7.308 3.193 -7.703 1.00 0.00 O ATOM 1120 CG2 THR A 75 9.148 4.442 -6.899 1.00 0.00 C ATOM 0 H THR A 75 5.793 2.439 -4.859 1.00 0.00 H new ATOM 0 HA THR A 75 8.661 2.408 -5.305 1.00 0.00 H new ATOM 0 HB THR A 75 7.120 4.742 -6.331 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.327 3.780 -8.487 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.090 5.065 -7.791 1.00 0.00 H new ATOM 0 HG22 THR A 75 9.515 5.038 -6.063 1.00 0.00 H new ATOM 0 HG23 THR A 75 9.831 3.612 -7.081 1.00 0.00 H new ATOM 1128 N ARG A 76 8.890 4.335 -3.640 1.00 0.00 N ATOM 1129 CA ARG A 76 8.993 5.172 -2.450 1.00 0.00 C ATOM 1130 C ARG A 76 9.335 6.611 -2.826 1.00 0.00 C ATOM 1131 O ARG A 76 10.438 6.897 -3.289 1.00 0.00 O ATOM 1132 CB ARG A 76 10.054 4.611 -1.498 1.00 0.00 C ATOM 1133 CG ARG A 76 9.476 4.051 -0.208 1.00 0.00 C ATOM 1134 CD ARG A 76 10.470 4.152 0.936 1.00 0.00 C ATOM 1135 NE ARG A 76 11.795 3.668 0.554 1.00 0.00 N ATOM 1136 CZ ARG A 76 12.911 3.958 1.218 1.00 0.00 C ATOM 1137 NH1 ARG A 76 12.868 4.730 2.297 1.00 0.00 N ATOM 1138 NH2 ARG A 76 14.074 3.476 0.803 1.00 0.00 N ATOM 0 H ARG A 76 9.781 4.142 -4.098 1.00 0.00 H new ATOM 0 HA ARG A 76 8.026 5.169 -1.946 1.00 0.00 H new ATOM 0 HB2 ARG A 76 10.610 3.825 -2.009 1.00 0.00 H new ATOM 0 HB3 ARG A 76 10.766 5.399 -1.255 1.00 0.00 H new ATOM 0 HG2 ARG A 76 8.566 4.593 0.050 1.00 0.00 H new ATOM 0 HG3 ARG A 76 9.195 3.008 -0.356 1.00 0.00 H new ATOM 0 HD2 ARG A 76 10.543 5.189 1.262 1.00 0.00 H new ATOM 0 HD3 ARG A 76 10.105 3.576 1.786 1.00 0.00 H new ATOM 0 HE ARG A 76 11.869 3.072 -0.271 1.00 0.00 H new ATOM 0 HH11 ARG A 76 11.976 5.104 2.621 1.00 0.00 H new ATOM 0 HH12 ARG A 76 13.727 4.949 2.802 1.00 0.00 H new ATOM 0 HH21 ARG A 76 14.114 2.883 -0.026 1.00 0.00 H new ATOM 0 HH22 ARG A 76 14.929 3.699 1.312 1.00 0.00 H new ATOM 1152 N LYS A 77 8.379 7.512 -2.624 1.00 0.00 N ATOM 1153 CA LYS A 77 8.576 8.922 -2.941 1.00 0.00 C ATOM 1154 C LYS A 77 8.889 9.107 -4.422 1.00 0.00 C ATOM 1155 O LYS A 77 9.125 8.138 -5.144 1.00 0.00 O ATOM 1156 CB LYS A 77 9.706 9.505 -2.091 1.00 0.00 C ATOM 1157 CG LYS A 77 9.495 10.963 -1.719 1.00 0.00 C ATOM 1158 CD LYS A 77 10.408 11.385 -0.577 1.00 0.00 C ATOM 1159 CE LYS A 77 11.651 12.096 -1.089 1.00 0.00 C ATOM 1160 NZ LYS A 77 11.963 13.314 -0.292 1.00 0.00 N ATOM 0 H LYS A 77 7.460 7.291 -2.242 1.00 0.00 H new ATOM 0 HA LYS A 77 7.651 9.453 -2.715 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.805 8.916 -1.179 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.646 9.410 -2.635 1.00 0.00 H new ATOM 0 HG2 LYS A 77 9.684 11.592 -2.589 1.00 0.00 H new ATOM 0 HG3 LYS A 77 8.455 11.120 -1.432 1.00 0.00 H new ATOM 0 HD2 LYS A 77 9.864 12.044 0.100 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.701 10.507 -0.001 1.00 0.00 H new ATOM 0 HE2 LYS A 77 12.500 11.413 -1.055 1.00 0.00 H new ATOM 0 HE3 LYS A 77 11.506 12.373 -2.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 12.817 13.769 -0.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 11.164 13.978 -0.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 12.126 13.047 0.700 1.00 0.00 H new