USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 811 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 SER OG : rot 154:sc= 1.11 USER MOD Set 1.2: A 78 TYR OH : rot 180:sc= 0.356 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 CYS SG : rot 64:sc= 0.803 USER MOD Single : A 17 GLN : amide:sc= -0.758 K(o=-0.76,f=-2!) USER MOD Single : A 22 HIS : no HD1:sc= -0.0989 X(o=-0.099,f=-0.047) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.292 K(o=-0.29,f=-1.3) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl -134:sc= -6.25! (180deg=-12.9!) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.14) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl -179:sc= 0 (180deg=-0.00149) USER MOD Single : A 70 GLN : amide:sc= -0.203 X(o=-0.2,f=-0.3) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 73 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.0081) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 165:sc=-0.00741 USER MOD Single : A 80 SER OG : rot 180:sc= -0.934 USER MOD Single : A 81 TYR OH : rot 110:sc= -0.281 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 173:sc= 0.612 (180deg=0.526) USER MOD Single : A 89 TYR OH : rot 19:sc= 1.06 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot 180:sc= -1.52 USER MOD Single : A 96 LYS NZ :NH3+ -112:sc= -0.2 (180deg=-1.73!) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 HIS : no HD1:sc= -2.04! K(o=-2!,f=-0.26) USER MOD Single : A 101 GLN : amide:sc= -2.61! C(o=-2.6!,f=-5.8!) USER MOD Single : A 103 SER OG : rot -136:sc= -0.371 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0.0572 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 1.147 22.149 3.723 1.00 0.00 N ATOM 67 CA GLU A 8 1.904 20.908 3.834 1.00 0.00 C ATOM 68 C GLU A 8 1.082 19.723 3.334 1.00 0.00 C ATOM 69 O GLU A 8 -0.032 19.891 2.837 1.00 0.00 O ATOM 70 CB GLU A 8 2.329 20.672 5.285 1.00 0.00 C ATOM 71 CG GLU A 8 1.164 20.614 6.258 1.00 0.00 C ATOM 72 CD GLU A 8 1.607 20.346 7.684 1.00 0.00 C ATOM 73 OE1 GLU A 8 2.375 21.164 8.230 1.00 0.00 O ATOM 74 OE2 GLU A 8 1.185 19.317 8.252 1.00 0.00 O ATOM 0 HA GLU A 8 2.795 20.999 3.212 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.888 19.738 5.344 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.007 21.469 5.590 1.00 0.00 H new ATOM 0 HG2 GLU A 8 0.618 21.557 6.222 1.00 0.00 H new ATOM 0 HG3 GLU A 8 0.472 19.833 5.944 1.00 0.00 H new ATOM 81 N VAL A 9 1.641 18.525 3.467 1.00 0.00 N ATOM 82 CA VAL A 9 0.962 17.311 3.030 1.00 0.00 C ATOM 83 C VAL A 9 0.148 16.698 4.164 1.00 0.00 C ATOM 84 O VAL A 9 0.451 16.900 5.339 1.00 0.00 O ATOM 85 CB VAL A 9 1.964 16.264 2.507 1.00 0.00 C ATOM 86 CG1 VAL A 9 2.972 15.904 3.588 1.00 0.00 C ATOM 87 CG2 VAL A 9 1.231 15.025 2.016 1.00 0.00 C ATOM 0 H VAL A 9 2.563 18.369 3.874 1.00 0.00 H new ATOM 0 HA VAL A 9 0.292 17.598 2.220 1.00 0.00 H new ATOM 0 HB VAL A 9 2.507 16.694 1.666 1.00 0.00 H new ATOM 0 HG11 VAL A 9 3.672 15.163 3.201 1.00 0.00 H new ATOM 0 HG12 VAL A 9 3.519 16.798 3.888 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.449 15.492 4.451 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.954 14.296 1.650 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.661 14.590 2.837 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.552 15.300 1.209 1.00 0.00 H new ATOM 97 N ASP A 10 -0.887 15.948 3.802 1.00 0.00 N ATOM 98 CA ASP A 10 -1.745 15.303 4.789 1.00 0.00 C ATOM 99 C ASP A 10 -2.126 13.895 4.342 1.00 0.00 C ATOM 100 O ASP A 10 -2.483 13.660 3.187 1.00 0.00 O ATOM 101 CB ASP A 10 -3.007 16.136 5.022 1.00 0.00 C ATOM 102 CG ASP A 10 -3.634 15.871 6.376 1.00 0.00 C ATOM 103 OD1 ASP A 10 -4.151 14.752 6.581 1.00 0.00 O ATOM 104 OD2 ASP A 10 -3.610 16.781 7.231 1.00 0.00 O ATOM 0 H ASP A 10 -1.152 15.772 2.833 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.189 15.230 5.724 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -2.760 17.195 4.940 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -3.733 15.917 4.239 1.00 0.00 H new ATOM 109 N PRO A 11 -2.048 12.935 5.275 1.00 0.00 N ATOM 110 CA PRO A 11 -2.380 11.534 5.000 1.00 0.00 C ATOM 111 C PRO A 11 -3.873 11.327 4.771 1.00 0.00 C ATOM 112 O PRO A 11 -4.279 10.681 3.805 1.00 0.00 O ATOM 113 CB PRO A 11 -1.927 10.807 6.268 1.00 0.00 C ATOM 114 CG PRO A 11 -1.979 11.842 7.338 1.00 0.00 C ATOM 115 CD PRO A 11 -1.630 13.144 6.672 1.00 0.00 C ATOM 0 HA PRO A 11 -1.900 11.172 4.091 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.582 9.967 6.498 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.920 10.405 6.155 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.970 11.888 7.789 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.275 11.612 8.138 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.157 13.982 7.128 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.564 13.360 6.745 1.00 0.00 H new ATOM 123 N ALA A 12 -4.687 11.878 5.665 1.00 0.00 N ATOM 124 CA ALA A 12 -6.135 11.755 5.559 1.00 0.00 C ATOM 125 C ALA A 12 -6.628 12.234 4.198 1.00 0.00 C ATOM 126 O ALA A 12 -7.715 11.863 3.754 1.00 0.00 O ATOM 127 CB ALA A 12 -6.815 12.537 6.674 1.00 0.00 C ATOM 0 H ALA A 12 -4.368 12.414 6.472 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.393 10.701 5.660 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -7.896 12.436 6.582 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -6.495 12.146 7.640 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.541 13.589 6.600 1.00 0.00 H new ATOM 133 N LYS A 13 -5.823 13.061 3.540 1.00 0.00 N ATOM 134 CA LYS A 13 -6.176 13.591 2.228 1.00 0.00 C ATOM 135 C LYS A 13 -5.600 12.721 1.116 1.00 0.00 C ATOM 136 O LYS A 13 -6.200 12.582 0.050 1.00 0.00 O ATOM 137 CB LYS A 13 -5.668 15.027 2.082 1.00 0.00 C ATOM 138 CG LYS A 13 -6.211 15.975 3.138 1.00 0.00 C ATOM 139 CD LYS A 13 -7.533 16.588 2.710 1.00 0.00 C ATOM 140 CE LYS A 13 -8.413 16.909 3.909 1.00 0.00 C ATOM 141 NZ LYS A 13 -9.776 17.343 3.497 1.00 0.00 N ATOM 0 H LYS A 13 -4.921 13.379 3.894 1.00 0.00 H new ATOM 0 HA LYS A 13 -7.263 13.586 2.142 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.579 15.025 2.133 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.940 15.401 1.095 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.345 15.437 4.077 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.485 16.767 3.325 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.346 17.498 2.141 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -8.057 15.899 2.047 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.490 16.030 4.549 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.946 17.695 4.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.344 17.552 4.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.705 18.197 2.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.232 16.583 2.953 1.00 0.00 H new ATOM 155 N CYS A 14 -4.434 12.138 1.372 1.00 0.00 N ATOM 156 CA CYS A 14 -3.777 11.280 0.392 1.00 0.00 C ATOM 157 C CYS A 14 -4.740 10.223 -0.138 1.00 0.00 C ATOM 158 O CYS A 14 -5.757 9.924 0.488 1.00 0.00 O ATOM 159 CB CYS A 14 -2.553 10.606 1.013 1.00 0.00 C ATOM 160 SG CYS A 14 -1.132 11.704 1.222 1.00 0.00 S ATOM 0 H CYS A 14 -3.924 12.244 2.249 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.456 11.903 -0.442 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.830 10.199 1.985 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.259 9.764 0.387 1.00 0.00 H new ATOM 0 HG CYS A 14 -1.436 12.653 2.056 1.00 0.00 H new ATOM 166 N VAL A 15 -4.414 9.662 -1.298 1.00 0.00 N ATOM 167 CA VAL A 15 -5.251 8.638 -1.914 1.00 0.00 C ATOM 168 C VAL A 15 -4.406 7.489 -2.452 1.00 0.00 C ATOM 169 O VAL A 15 -3.178 7.511 -2.361 1.00 0.00 O ATOM 170 CB VAL A 15 -6.097 9.221 -3.062 1.00 0.00 C ATOM 171 CG1 VAL A 15 -7.397 9.800 -2.527 1.00 0.00 C ATOM 172 CG2 VAL A 15 -5.307 10.275 -3.823 1.00 0.00 C ATOM 0 H VAL A 15 -3.577 9.899 -1.830 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.917 8.263 -1.137 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.344 8.415 -3.753 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.981 10.207 -3.352 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.968 9.015 -2.031 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.175 10.594 -1.813 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.920 10.676 -4.630 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -5.028 11.081 -3.144 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.407 9.824 -4.240 1.00 0.00 H new ATOM 182 N LEU A 16 -5.071 6.486 -3.014 1.00 0.00 N ATOM 183 CA LEU A 16 -4.382 5.326 -3.569 1.00 0.00 C ATOM 184 C LEU A 16 -4.901 5.001 -4.966 1.00 0.00 C ATOM 185 O LEU A 16 -6.109 4.930 -5.188 1.00 0.00 O ATOM 186 CB LEU A 16 -4.561 4.115 -2.652 1.00 0.00 C ATOM 187 CG LEU A 16 -4.082 4.288 -1.210 1.00 0.00 C ATOM 188 CD1 LEU A 16 -4.786 3.302 -0.291 1.00 0.00 C ATOM 189 CD2 LEU A 16 -2.573 4.115 -1.125 1.00 0.00 C ATOM 0 H LEU A 16 -6.087 6.452 -3.098 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.321 5.565 -3.642 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -5.619 3.852 -2.633 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.030 3.270 -3.091 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.331 5.298 -0.884 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.432 3.440 0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.862 3.474 -0.329 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.570 2.284 -0.615 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.250 4.241 -0.092 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.301 3.118 -1.471 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.085 4.862 -1.752 1.00 0.00 H new ATOM 201 N GLN A 17 -3.978 4.803 -5.902 1.00 0.00 N ATOM 202 CA GLN A 17 -4.343 4.484 -7.278 1.00 0.00 C ATOM 203 C GLN A 17 -4.055 3.020 -7.592 1.00 0.00 C ATOM 204 O GLN A 17 -3.192 2.400 -6.971 1.00 0.00 O ATOM 205 CB GLN A 17 -3.583 5.386 -8.252 1.00 0.00 C ATOM 206 CG GLN A 17 -4.311 6.681 -8.577 1.00 0.00 C ATOM 207 CD GLN A 17 -3.877 7.277 -9.901 1.00 0.00 C ATOM 208 OE1 GLN A 17 -3.022 6.725 -10.593 1.00 0.00 O ATOM 209 NE2 GLN A 17 -4.467 8.412 -10.261 1.00 0.00 N ATOM 0 H GLN A 17 -2.974 4.858 -5.733 1.00 0.00 H new ATOM 0 HA GLN A 17 -5.413 4.658 -7.393 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.607 5.624 -7.828 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.403 4.838 -9.177 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -5.385 6.494 -8.602 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -4.132 7.404 -7.781 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.171 8.835 -9.656 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.216 8.860 -11.142 1.00 0.00 H new ATOM 218 N GLY A 18 -4.784 2.472 -8.560 1.00 0.00 N ATOM 219 CA GLY A 18 -4.591 1.085 -8.938 1.00 0.00 C ATOM 220 C GLY A 18 -5.889 0.301 -8.947 1.00 0.00 C ATOM 221 O GLY A 18 -6.820 0.622 -8.209 1.00 0.00 O ATOM 0 H GLY A 18 -5.504 2.964 -9.089 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.137 1.041 -9.928 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.892 0.617 -8.245 1.00 0.00 H new ATOM 225 N GLU A 19 -5.951 -0.728 -9.786 1.00 0.00 N ATOM 226 CA GLU A 19 -7.146 -1.558 -9.889 1.00 0.00 C ATOM 227 C GLU A 19 -7.086 -2.723 -8.905 1.00 0.00 C ATOM 228 O GLU A 19 -6.011 -3.245 -8.610 1.00 0.00 O ATOM 229 CB GLU A 19 -7.304 -2.089 -11.315 1.00 0.00 C ATOM 230 CG GLU A 19 -7.454 -0.995 -12.359 1.00 0.00 C ATOM 231 CD GLU A 19 -7.911 -1.529 -13.703 1.00 0.00 C ATOM 232 OE1 GLU A 19 -9.112 -1.839 -13.840 1.00 0.00 O ATOM 233 OE2 GLU A 19 -7.066 -1.637 -14.617 1.00 0.00 O ATOM 0 H GLU A 19 -5.189 -1.007 -10.404 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.009 -0.940 -9.641 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -6.437 -2.701 -11.564 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.177 -2.741 -11.356 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.171 -0.255 -12.004 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -6.500 -0.482 -12.482 1.00 0.00 H new ATOM 240 N ASP A 20 -8.248 -3.124 -8.401 1.00 0.00 N ATOM 241 CA ASP A 20 -8.329 -4.226 -7.450 1.00 0.00 C ATOM 242 C ASP A 20 -7.277 -4.078 -6.355 1.00 0.00 C ATOM 243 O ASP A 20 -6.577 -5.034 -6.017 1.00 0.00 O ATOM 244 CB ASP A 20 -8.148 -5.563 -8.170 1.00 0.00 C ATOM 245 CG ASP A 20 -6.799 -5.675 -8.853 1.00 0.00 C ATOM 246 OD1 ASP A 20 -6.690 -5.255 -10.024 1.00 0.00 O ATOM 247 OD2 ASP A 20 -5.852 -6.183 -8.217 1.00 0.00 O ATOM 0 H ASP A 20 -9.147 -2.702 -8.635 1.00 0.00 H new ATOM 0 HA ASP A 20 -9.315 -4.202 -6.987 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -8.257 -6.376 -7.453 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -8.938 -5.683 -8.911 1.00 0.00 H new ATOM 252 N LEU A 21 -7.170 -2.874 -5.804 1.00 0.00 N ATOM 253 CA LEU A 21 -6.203 -2.600 -4.747 1.00 0.00 C ATOM 254 C LEU A 21 -6.454 -3.490 -3.534 1.00 0.00 C ATOM 255 O LEU A 21 -5.549 -3.745 -2.739 1.00 0.00 O ATOM 256 CB LEU A 21 -6.270 -1.128 -4.336 1.00 0.00 C ATOM 257 CG LEU A 21 -5.351 -0.175 -5.100 1.00 0.00 C ATOM 258 CD1 LEU A 21 -5.759 1.270 -4.858 1.00 0.00 C ATOM 259 CD2 LEU A 21 -3.900 -0.395 -4.696 1.00 0.00 C ATOM 0 H LEU A 21 -7.741 -2.072 -6.072 1.00 0.00 H new ATOM 0 HA LEU A 21 -5.208 -2.818 -5.134 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -7.297 -0.784 -4.456 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.032 -1.057 -3.275 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.448 -0.385 -6.165 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.093 1.933 -5.410 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -6.784 1.420 -5.197 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.693 1.493 -3.793 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.260 0.292 -5.250 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.788 -0.213 -3.627 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.611 -1.422 -4.921 1.00 0.00 H new ATOM 271 N HIS A 22 -7.689 -3.963 -3.399 1.00 0.00 N ATOM 272 CA HIS A 22 -8.059 -4.828 -2.284 1.00 0.00 C ATOM 273 C HIS A 22 -7.950 -6.298 -2.678 1.00 0.00 C ATOM 274 O HIS A 22 -8.590 -7.160 -2.076 1.00 0.00 O ATOM 275 CB HIS A 22 -9.482 -4.516 -1.820 1.00 0.00 C ATOM 276 CG HIS A 22 -9.589 -3.254 -1.021 1.00 0.00 C ATOM 277 ND1 HIS A 22 -10.455 -3.107 0.042 1.00 0.00 N ATOM 278 CD2 HIS A 22 -8.930 -2.077 -1.133 1.00 0.00 C ATOM 279 CE1 HIS A 22 -10.326 -1.894 0.548 1.00 0.00 C ATOM 280 NE2 HIS A 22 -9.407 -1.248 -0.147 1.00 0.00 N ATOM 0 H HIS A 22 -8.450 -3.762 -4.048 1.00 0.00 H new ATOM 0 HA HIS A 22 -7.368 -4.638 -1.463 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -10.131 -4.440 -2.692 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -9.850 -5.348 -1.220 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -8.171 -1.835 -1.862 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -10.878 -1.498 1.387 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -9.101 -0.290 0.021 1.00 0.00 H new ATOM 289 N ARG A 23 -7.138 -6.575 -3.692 1.00 0.00 N ATOM 290 CA ARG A 23 -6.947 -7.940 -4.167 1.00 0.00 C ATOM 291 C ARG A 23 -5.507 -8.161 -4.622 1.00 0.00 C ATOM 292 O ARG A 23 -4.847 -7.238 -5.097 1.00 0.00 O ATOM 293 CB ARG A 23 -7.909 -8.241 -5.318 1.00 0.00 C ATOM 294 CG ARG A 23 -8.247 -9.717 -5.459 1.00 0.00 C ATOM 295 CD ARG A 23 -9.636 -9.916 -6.044 1.00 0.00 C ATOM 296 NE ARG A 23 -10.670 -9.290 -5.224 1.00 0.00 N ATOM 297 CZ ARG A 23 -11.972 -9.445 -5.439 1.00 0.00 C ATOM 298 NH1 ARG A 23 -12.397 -10.202 -6.441 1.00 0.00 N ATOM 299 NH2 ARG A 23 -12.852 -8.843 -4.649 1.00 0.00 N ATOM 0 H ARG A 23 -6.602 -5.872 -4.201 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.157 -8.619 -3.340 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -8.830 -7.679 -5.167 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.469 -7.887 -6.250 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.509 -10.201 -6.098 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -8.189 -10.200 -4.483 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.669 -9.498 -7.050 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -9.842 -10.983 -6.135 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.377 -8.702 -4.444 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.724 -10.668 -7.050 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.397 -10.319 -6.603 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.529 -8.261 -3.876 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.851 -8.962 -4.815 1.00 0.00 H new ATOM 313 N ALA A 24 -5.027 -9.392 -4.472 1.00 0.00 N ATOM 314 CA ALA A 24 -3.667 -9.735 -4.869 1.00 0.00 C ATOM 315 C ALA A 24 -3.575 -11.192 -5.309 1.00 0.00 C ATOM 316 O ALA A 24 -4.489 -11.981 -5.071 1.00 0.00 O ATOM 317 CB ALA A 24 -2.700 -9.464 -3.726 1.00 0.00 C ATOM 0 H ALA A 24 -5.560 -10.168 -4.079 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.393 -9.109 -5.718 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.688 -9.725 -4.036 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.737 -8.408 -3.460 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.981 -10.066 -2.861 1.00 0.00 H new ATOM 323 N ARG A 25 -2.465 -11.541 -5.952 1.00 0.00 N ATOM 324 CA ARG A 25 -2.255 -12.904 -6.427 1.00 0.00 C ATOM 325 C ARG A 25 -0.995 -13.505 -5.811 1.00 0.00 C ATOM 326 O ARG A 25 0.054 -12.863 -5.769 1.00 0.00 O ATOM 327 CB ARG A 25 -2.149 -12.924 -7.953 1.00 0.00 C ATOM 328 CG ARG A 25 -1.961 -14.317 -8.532 1.00 0.00 C ATOM 329 CD ARG A 25 -2.366 -14.370 -9.997 1.00 0.00 C ATOM 330 NE ARG A 25 -1.273 -13.972 -10.881 1.00 0.00 N ATOM 331 CZ ARG A 25 -1.442 -13.651 -12.159 1.00 0.00 C ATOM 332 NH1 ARG A 25 -2.652 -13.680 -12.699 1.00 0.00 N ATOM 333 NH2 ARG A 25 -0.398 -13.300 -12.899 1.00 0.00 N ATOM 0 H ARG A 25 -1.698 -10.900 -6.156 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.111 -13.505 -6.121 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.051 -12.482 -8.377 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.312 -12.296 -8.259 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.918 -14.617 -8.431 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.555 -15.032 -7.963 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.686 -15.381 -10.248 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.222 -13.715 -10.161 1.00 0.00 H new ATOM 0 HE ARG A 25 -0.329 -13.939 -10.496 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.457 -13.949 -12.133 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.778 -13.433 -13.681 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.535 -13.277 -12.487 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.528 -13.054 -13.880 1.00 0.00 H new ATOM 347 N GLU A 26 -1.107 -14.741 -5.335 1.00 0.00 N ATOM 348 CA GLU A 26 0.023 -15.428 -4.720 1.00 0.00 C ATOM 349 C GLU A 26 1.284 -15.263 -5.564 1.00 0.00 C ATOM 350 O GLU A 26 1.223 -15.236 -6.793 1.00 0.00 O ATOM 351 CB GLU A 26 -0.292 -16.914 -4.539 1.00 0.00 C ATOM 352 CG GLU A 26 0.944 -17.784 -4.386 1.00 0.00 C ATOM 353 CD GLU A 26 0.643 -19.113 -3.720 1.00 0.00 C ATOM 354 OE1 GLU A 26 -0.143 -19.898 -4.291 1.00 0.00 O ATOM 355 OE2 GLU A 26 1.193 -19.369 -2.629 1.00 0.00 O ATOM 0 H GLU A 26 -1.968 -15.287 -5.363 1.00 0.00 H new ATOM 0 HA GLU A 26 0.199 -14.980 -3.742 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.924 -17.038 -3.660 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.867 -17.262 -5.397 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.380 -17.965 -5.368 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.690 -17.249 -3.799 1.00 0.00 H new ATOM 362 N LYS A 27 2.426 -15.153 -4.894 1.00 0.00 N ATOM 363 CA LYS A 27 3.703 -14.991 -5.579 1.00 0.00 C ATOM 364 C LYS A 27 3.549 -14.110 -6.815 1.00 0.00 C ATOM 365 O LYS A 27 3.998 -14.470 -7.903 1.00 0.00 O ATOM 366 CB LYS A 27 4.267 -16.356 -5.979 1.00 0.00 C ATOM 367 CG LYS A 27 4.452 -17.305 -4.808 1.00 0.00 C ATOM 368 CD LYS A 27 5.837 -17.174 -4.197 1.00 0.00 C ATOM 369 CE LYS A 27 6.898 -17.810 -5.082 1.00 0.00 C ATOM 370 NZ LYS A 27 7.131 -19.238 -4.728 1.00 0.00 N ATOM 0 H LYS A 27 2.493 -15.173 -3.876 1.00 0.00 H new ATOM 0 HA LYS A 27 4.397 -14.505 -4.893 1.00 0.00 H new ATOM 0 HB2 LYS A 27 3.599 -16.817 -6.707 1.00 0.00 H new ATOM 0 HB3 LYS A 27 5.227 -16.212 -6.474 1.00 0.00 H new ATOM 0 HG2 LYS A 27 3.698 -17.099 -4.049 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.296 -18.331 -5.142 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.071 -16.120 -4.046 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.849 -17.647 -3.215 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.591 -17.740 -6.125 1.00 0.00 H new ATOM 0 HE3 LYS A 27 7.831 -17.255 -4.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.861 -19.636 -5.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.449 -19.303 -3.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.247 -19.773 -4.843 1.00 0.00 H new ATOM 384 N GLN A 28 2.913 -12.956 -6.639 1.00 0.00 N ATOM 385 CA GLN A 28 2.702 -12.025 -7.741 1.00 0.00 C ATOM 386 C GLN A 28 3.245 -10.642 -7.397 1.00 0.00 C ATOM 387 O GLN A 28 3.302 -10.259 -6.228 1.00 0.00 O ATOM 388 CB GLN A 28 1.213 -11.933 -8.080 1.00 0.00 C ATOM 389 CG GLN A 28 0.930 -11.205 -9.384 1.00 0.00 C ATOM 390 CD GLN A 28 1.699 -11.785 -10.555 1.00 0.00 C ATOM 391 OE1 GLN A 28 1.971 -12.986 -10.600 1.00 0.00 O ATOM 392 NE2 GLN A 28 2.055 -10.935 -11.510 1.00 0.00 N ATOM 0 H GLN A 28 2.535 -12.644 -5.744 1.00 0.00 H new ATOM 0 HA GLN A 28 3.242 -12.401 -8.610 1.00 0.00 H new ATOM 0 HB2 GLN A 28 0.799 -12.940 -8.138 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.695 -11.422 -7.268 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -0.138 -11.251 -9.597 1.00 0.00 H new ATOM 0 HG3 GLN A 28 1.187 -10.152 -9.271 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.809 -9.948 -11.432 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.575 -11.269 -12.322 1.00 0.00 H new ATOM 401 N THR A 29 3.643 -9.896 -8.422 1.00 0.00 N ATOM 402 CA THR A 29 4.182 -8.556 -8.228 1.00 0.00 C ATOM 403 C THR A 29 3.095 -7.498 -8.377 1.00 0.00 C ATOM 404 O THR A 29 2.740 -7.111 -9.490 1.00 0.00 O ATOM 405 CB THR A 29 5.315 -8.256 -9.228 1.00 0.00 C ATOM 406 OG1 THR A 29 6.255 -9.335 -9.242 1.00 0.00 O ATOM 407 CG2 THR A 29 6.027 -6.961 -8.867 1.00 0.00 C ATOM 0 H THR A 29 3.602 -10.197 -9.396 1.00 0.00 H new ATOM 0 HA THR A 29 4.582 -8.521 -7.215 1.00 0.00 H new ATOM 0 HB THR A 29 4.875 -8.146 -10.219 1.00 0.00 H new ATOM 0 HG1 THR A 29 6.971 -9.137 -9.881 1.00 0.00 H new ATOM 0 HG21 THR A 29 6.823 -6.770 -9.587 1.00 0.00 H new ATOM 0 HG22 THR A 29 5.314 -6.136 -8.887 1.00 0.00 H new ATOM 0 HG23 THR A 29 6.455 -7.047 -7.868 1.00 0.00 H new ATOM 415 N ALA A 30 2.569 -7.034 -7.248 1.00 0.00 N ATOM 416 CA ALA A 30 1.523 -6.019 -7.254 1.00 0.00 C ATOM 417 C ALA A 30 2.058 -4.676 -6.768 1.00 0.00 C ATOM 418 O ALA A 30 2.588 -4.572 -5.662 1.00 0.00 O ATOM 419 CB ALA A 30 0.350 -6.464 -6.393 1.00 0.00 C ATOM 0 H ALA A 30 2.850 -7.345 -6.318 1.00 0.00 H new ATOM 0 HA ALA A 30 1.179 -5.894 -8.281 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.423 -5.696 -6.407 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -0.057 -7.396 -6.786 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.689 -6.619 -5.369 1.00 0.00 H new ATOM 425 N SER A 31 1.917 -3.651 -7.602 1.00 0.00 N ATOM 426 CA SER A 31 2.391 -2.315 -7.259 1.00 0.00 C ATOM 427 C SER A 31 1.323 -1.267 -7.554 1.00 0.00 C ATOM 428 O SER A 31 0.504 -1.436 -8.458 1.00 0.00 O ATOM 429 CB SER A 31 3.669 -1.990 -8.034 1.00 0.00 C ATOM 430 OG SER A 31 3.405 -1.853 -9.419 1.00 0.00 O ATOM 0 H SER A 31 1.478 -3.720 -8.520 1.00 0.00 H new ATOM 0 HA SER A 31 2.608 -2.296 -6.191 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.106 -1.068 -7.651 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.404 -2.780 -7.877 1.00 0.00 H new ATOM 0 HG SER A 31 4.073 -1.260 -9.822 1.00 0.00 H new ATOM 436 N PHE A 32 1.337 -0.184 -6.785 1.00 0.00 N ATOM 437 CA PHE A 32 0.369 0.893 -6.962 1.00 0.00 C ATOM 438 C PHE A 32 1.040 2.256 -6.820 1.00 0.00 C ATOM 439 O PHE A 32 2.198 2.352 -6.413 1.00 0.00 O ATOM 440 CB PHE A 32 -0.764 0.761 -5.943 1.00 0.00 C ATOM 441 CG PHE A 32 -0.288 0.437 -4.556 1.00 0.00 C ATOM 442 CD1 PHE A 32 0.202 -0.824 -4.254 1.00 0.00 C ATOM 443 CD2 PHE A 32 -0.332 1.392 -3.553 1.00 0.00 C ATOM 444 CE1 PHE A 32 0.641 -1.125 -2.979 1.00 0.00 C ATOM 445 CE2 PHE A 32 0.106 1.096 -2.276 1.00 0.00 C ATOM 446 CZ PHE A 32 0.592 -0.164 -1.988 1.00 0.00 C ATOM 0 H PHE A 32 2.008 -0.028 -6.033 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.045 0.815 -7.967 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.328 1.693 -5.916 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -1.451 -0.018 -6.274 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.241 -1.580 -5.024 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.713 2.379 -3.772 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.022 -2.111 -2.757 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.068 1.850 -1.504 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.933 -0.398 -0.990 1.00 0.00 H new ATOM 456 N THR A 33 0.304 3.309 -7.160 1.00 0.00 N ATOM 457 CA THR A 33 0.826 4.667 -7.073 1.00 0.00 C ATOM 458 C THR A 33 0.170 5.437 -5.933 1.00 0.00 C ATOM 459 O THR A 33 -1.056 5.498 -5.836 1.00 0.00 O ATOM 460 CB THR A 33 0.609 5.438 -8.389 1.00 0.00 C ATOM 461 OG1 THR A 33 1.320 4.798 -9.455 1.00 0.00 O ATOM 462 CG2 THR A 33 1.076 6.880 -8.255 1.00 0.00 C ATOM 0 H THR A 33 -0.656 3.247 -7.498 1.00 0.00 H new ATOM 0 HA THR A 33 1.896 4.582 -6.882 1.00 0.00 H new ATOM 0 HB THR A 33 -0.458 5.438 -8.613 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.175 5.293 -10.288 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.913 7.404 -9.197 1.00 0.00 H new ATOM 0 HG22 THR A 33 0.512 7.373 -7.463 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.138 6.897 -8.009 1.00 0.00 H new ATOM 470 N LEU A 34 0.993 6.023 -5.070 1.00 0.00 N ATOM 471 CA LEU A 34 0.493 6.790 -3.935 1.00 0.00 C ATOM 472 C LEU A 34 0.575 8.288 -4.212 1.00 0.00 C ATOM 473 O LEU A 34 1.663 8.863 -4.258 1.00 0.00 O ATOM 474 CB LEU A 34 1.287 6.449 -2.673 1.00 0.00 C ATOM 475 CG LEU A 34 1.020 7.331 -1.453 1.00 0.00 C ATOM 476 CD1 LEU A 34 -0.409 7.150 -0.966 1.00 0.00 C ATOM 477 CD2 LEU A 34 2.009 7.015 -0.340 1.00 0.00 C ATOM 0 H LEU A 34 2.010 5.981 -5.135 1.00 0.00 H new ATOM 0 HA LEU A 34 -0.553 6.524 -3.781 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.074 5.415 -2.402 1.00 0.00 H new ATOM 0 HB3 LEU A 34 2.349 6.504 -2.910 1.00 0.00 H new ATOM 0 HG LEU A 34 1.153 8.373 -1.745 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.581 7.786 -0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.102 7.427 -1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.570 6.108 -0.691 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.804 7.652 0.520 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.908 5.969 -0.050 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.024 7.197 -0.693 1.00 0.00 H new ATOM 489 N LEU A 35 -0.582 8.915 -4.393 1.00 0.00 N ATOM 490 CA LEU A 35 -0.642 10.347 -4.662 1.00 0.00 C ATOM 491 C LEU A 35 -0.649 11.146 -3.363 1.00 0.00 C ATOM 492 O LEU A 35 -1.330 10.783 -2.403 1.00 0.00 O ATOM 493 CB LEU A 35 -1.888 10.680 -5.485 1.00 0.00 C ATOM 494 CG LEU A 35 -2.090 9.858 -6.759 1.00 0.00 C ATOM 495 CD1 LEU A 35 -3.567 9.781 -7.115 1.00 0.00 C ATOM 496 CD2 LEU A 35 -1.292 10.452 -7.910 1.00 0.00 C ATOM 0 H LEU A 35 -1.491 8.454 -4.358 1.00 0.00 H new ATOM 0 HA LEU A 35 0.246 10.622 -5.231 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.764 10.550 -4.850 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.847 11.734 -5.759 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.728 8.846 -6.577 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.692 9.193 -8.024 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.114 9.309 -6.299 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.955 10.787 -7.278 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.448 9.854 -8.808 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -1.623 11.474 -8.093 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.232 10.454 -7.655 1.00 0.00 H new ATOM 508 N CYS A 36 0.110 12.236 -3.340 1.00 0.00 N ATOM 509 CA CYS A 36 0.190 13.088 -2.159 1.00 0.00 C ATOM 510 C CYS A 36 -0.545 14.405 -2.387 1.00 0.00 C ATOM 511 O CYS A 36 -0.281 15.116 -3.357 1.00 0.00 O ATOM 512 CB CYS A 36 1.651 13.361 -1.800 1.00 0.00 C ATOM 513 SG CYS A 36 2.631 11.870 -1.510 1.00 0.00 S ATOM 0 H CYS A 36 0.679 12.551 -4.126 1.00 0.00 H new ATOM 0 HA CYS A 36 -0.289 12.565 -1.331 1.00 0.00 H new ATOM 0 HB2 CYS A 36 2.111 13.934 -2.605 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.684 13.984 -0.906 1.00 0.00 H new ATOM 0 HG CYS A 36 3.852 12.204 -1.215 1.00 0.00 H new ATOM 519 N LYS A 37 -1.471 14.723 -1.488 1.00 0.00 N ATOM 520 CA LYS A 37 -2.246 15.954 -1.590 1.00 0.00 C ATOM 521 C LYS A 37 -1.981 16.864 -0.396 1.00 0.00 C ATOM 522 O LYS A 37 -1.260 16.493 0.532 1.00 0.00 O ATOM 523 CB LYS A 37 -3.740 15.634 -1.680 1.00 0.00 C ATOM 524 CG LYS A 37 -4.180 15.167 -3.057 1.00 0.00 C ATOM 525 CD LYS A 37 -4.048 13.660 -3.203 1.00 0.00 C ATOM 526 CE LYS A 37 -4.139 13.232 -4.660 1.00 0.00 C ATOM 527 NZ LYS A 37 -5.511 13.417 -5.208 1.00 0.00 N ATOM 0 H LYS A 37 -1.703 14.145 -0.680 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.937 16.475 -2.496 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.982 14.862 -0.949 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.310 16.522 -1.407 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.216 15.461 -3.228 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.578 15.662 -3.819 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -3.095 13.335 -2.786 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -4.832 13.167 -2.628 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -3.430 13.810 -5.253 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.850 12.185 -4.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.531 13.114 -6.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.184 12.846 -4.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.777 14.420 -5.146 1.00 0.00 H new ATOM 541 N ASP A 38 -2.569 18.055 -0.423 1.00 0.00 N ATOM 542 CA ASP A 38 -2.398 19.017 0.659 1.00 0.00 C ATOM 543 C ASP A 38 -3.506 18.869 1.697 1.00 0.00 C ATOM 544 O ASP A 38 -4.461 18.119 1.498 1.00 0.00 O ATOM 545 CB ASP A 38 -2.388 20.443 0.106 1.00 0.00 C ATOM 546 CG ASP A 38 -1.251 20.677 -0.869 1.00 0.00 C ATOM 547 OD1 ASP A 38 -0.150 21.057 -0.418 1.00 0.00 O ATOM 548 OD2 ASP A 38 -1.461 20.480 -2.084 1.00 0.00 O ATOM 0 H ASP A 38 -3.168 18.377 -1.183 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.442 18.817 1.142 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.337 20.643 -0.392 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.306 21.149 0.932 1.00 0.00 H new ATOM 553 N ALA A 39 -3.371 19.590 2.806 1.00 0.00 N ATOM 554 CA ALA A 39 -4.361 19.540 3.875 1.00 0.00 C ATOM 555 C ALA A 39 -5.755 19.865 3.348 1.00 0.00 C ATOM 556 O ALA A 39 -6.760 19.471 3.939 1.00 0.00 O ATOM 557 CB ALA A 39 -3.980 20.499 4.992 1.00 0.00 C ATOM 0 H ALA A 39 -2.586 20.215 2.987 1.00 0.00 H new ATOM 0 HA ALA A 39 -4.379 18.525 4.273 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.728 20.451 5.783 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -3.007 20.220 5.395 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.932 21.515 4.599 1.00 0.00 H new ATOM 563 N ALA A 40 -5.808 20.586 2.233 1.00 0.00 N ATOM 564 CA ALA A 40 -7.078 20.963 1.626 1.00 0.00 C ATOM 565 C ALA A 40 -7.620 19.842 0.745 1.00 0.00 C ATOM 566 O ALA A 40 -8.814 19.789 0.456 1.00 0.00 O ATOM 567 CB ALA A 40 -6.919 22.242 0.818 1.00 0.00 C ATOM 0 H ALA A 40 -4.985 20.921 1.732 1.00 0.00 H new ATOM 0 HA ALA A 40 -7.796 21.140 2.427 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -7.876 22.511 0.371 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.585 23.047 1.473 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.182 22.086 0.031 1.00 0.00 H new ATOM 573 N GLY A 41 -6.732 18.948 0.320 1.00 0.00 N ATOM 574 CA GLY A 41 -7.140 17.841 -0.525 1.00 0.00 C ATOM 575 C GLY A 41 -6.851 18.094 -1.991 1.00 0.00 C ATOM 576 O GLY A 41 -7.557 17.592 -2.865 1.00 0.00 O ATOM 0 H GLY A 41 -5.738 18.971 0.546 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.623 16.935 -0.207 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.207 17.662 -0.394 1.00 0.00 H new ATOM 580 N GLU A 42 -5.810 18.876 -2.262 1.00 0.00 N ATOM 581 CA GLU A 42 -5.431 19.196 -3.633 1.00 0.00 C ATOM 582 C GLU A 42 -3.990 18.778 -3.911 1.00 0.00 C ATOM 583 O GLU A 42 -3.202 18.576 -2.987 1.00 0.00 O ATOM 584 CB GLU A 42 -5.599 20.694 -3.896 1.00 0.00 C ATOM 585 CG GLU A 42 -4.698 21.567 -3.039 1.00 0.00 C ATOM 586 CD GLU A 42 -5.303 22.928 -2.755 1.00 0.00 C ATOM 587 OE1 GLU A 42 -6.295 22.992 -1.999 1.00 0.00 O ATOM 588 OE2 GLU A 42 -4.784 23.930 -3.290 1.00 0.00 O ATOM 0 H GLU A 42 -5.215 19.299 -1.550 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.088 18.641 -4.303 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.393 20.895 -4.947 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.638 20.972 -3.716 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.497 21.059 -2.096 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.740 21.697 -3.542 1.00 0.00 H new ATOM 595 N ILE A 43 -3.654 18.650 -5.190 1.00 0.00 N ATOM 596 CA ILE A 43 -2.309 18.256 -5.590 1.00 0.00 C ATOM 597 C ILE A 43 -1.295 19.346 -5.255 1.00 0.00 C ATOM 598 O ILE A 43 -1.548 20.530 -5.472 1.00 0.00 O ATOM 599 CB ILE A 43 -2.237 17.949 -7.098 1.00 0.00 C ATOM 600 CG1 ILE A 43 -3.342 16.968 -7.494 1.00 0.00 C ATOM 601 CG2 ILE A 43 -0.869 17.390 -7.459 1.00 0.00 C ATOM 602 CD1 ILE A 43 -3.223 15.619 -6.819 1.00 0.00 C ATOM 0 H ILE A 43 -4.295 18.813 -5.967 1.00 0.00 H new ATOM 0 HA ILE A 43 -2.065 17.352 -5.032 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.386 18.876 -7.651 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.310 17.405 -7.247 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.322 16.828 -8.575 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.833 17.178 -8.528 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.100 18.120 -7.208 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.693 16.471 -6.900 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.039 14.975 -7.146 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -2.270 15.161 -7.086 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.274 15.747 -5.738 1.00 0.00 H new ATOM 614 N MET A 44 -0.146 18.936 -4.728 1.00 0.00 N ATOM 615 CA MET A 44 0.907 19.877 -4.366 1.00 0.00 C ATOM 616 C MET A 44 1.994 19.914 -5.436 1.00 0.00 C ATOM 617 O MET A 44 2.557 20.969 -5.726 1.00 0.00 O ATOM 618 CB MET A 44 1.518 19.498 -3.016 1.00 0.00 C ATOM 619 CG MET A 44 1.794 18.010 -2.870 1.00 0.00 C ATOM 620 SD MET A 44 2.607 17.604 -1.313 1.00 0.00 S ATOM 621 CE MET A 44 1.264 17.852 -0.155 1.00 0.00 C ATOM 0 H MET A 44 0.079 17.959 -4.542 1.00 0.00 H new ATOM 0 HA MET A 44 0.462 20.869 -4.290 1.00 0.00 H new ATOM 0 HB2 MET A 44 2.450 20.047 -2.881 1.00 0.00 H new ATOM 0 HB3 MET A 44 0.844 19.814 -2.220 1.00 0.00 H new ATOM 0 HG2 MET A 44 0.854 17.462 -2.939 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.418 17.677 -3.699 1.00 0.00 H new ATOM 0 HE1 MET A 44 1.622 18.427 0.699 1.00 0.00 H new ATOM 0 HE2 MET A 44 0.456 18.395 -0.645 1.00 0.00 H new ATOM 0 HE3 MET A 44 0.895 16.885 0.187 1.00 0.00 H new ATOM 631 N GLY A 45 2.283 18.755 -6.020 1.00 0.00 N ATOM 632 CA GLY A 45 3.302 18.678 -7.051 1.00 0.00 C ATOM 633 C GLY A 45 4.413 17.709 -6.698 1.00 0.00 C ATOM 634 O GLY A 45 4.982 17.060 -7.575 1.00 0.00 O ATOM 0 H GLY A 45 1.830 17.869 -5.798 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.842 18.371 -7.990 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.726 19.669 -7.213 1.00 0.00 H new ATOM 638 N ARG A 46 4.723 17.612 -5.409 1.00 0.00 N ATOM 639 CA ARG A 46 5.775 16.718 -4.942 1.00 0.00 C ATOM 640 C ARG A 46 5.344 15.986 -3.674 1.00 0.00 C ATOM 641 O ARG A 46 4.217 16.144 -3.207 1.00 0.00 O ATOM 642 CB ARG A 46 7.062 17.503 -4.678 1.00 0.00 C ATOM 643 CG ARG A 46 7.005 18.361 -3.424 1.00 0.00 C ATOM 644 CD ARG A 46 6.440 19.741 -3.719 1.00 0.00 C ATOM 645 NE ARG A 46 6.392 20.580 -2.524 1.00 0.00 N ATOM 646 CZ ARG A 46 6.072 21.869 -2.543 1.00 0.00 C ATOM 647 NH1 ARG A 46 5.773 22.464 -3.689 1.00 0.00 N ATOM 648 NH2 ARG A 46 6.051 22.565 -1.414 1.00 0.00 N ATOM 0 H ARG A 46 4.260 18.142 -4.670 1.00 0.00 H new ATOM 0 HA ARG A 46 5.961 15.980 -5.722 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.893 16.803 -4.592 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.271 18.142 -5.536 1.00 0.00 H new ATOM 0 HG2 ARG A 46 6.389 17.868 -2.672 1.00 0.00 H new ATOM 0 HG3 ARG A 46 8.006 18.459 -3.003 1.00 0.00 H new ATOM 0 HD2 ARG A 46 7.051 20.228 -4.479 1.00 0.00 H new ATOM 0 HD3 ARG A 46 5.436 19.641 -4.132 1.00 0.00 H new ATOM 0 HE ARG A 46 6.617 20.152 -1.626 1.00 0.00 H new ATOM 0 HH11 ARG A 46 5.788 21.932 -4.559 1.00 0.00 H new ATOM 0 HH12 ARG A 46 5.528 23.454 -3.701 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.281 22.110 -0.530 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.805 23.555 -1.430 1.00 0.00 H new ATOM 662 N GLY A 47 6.250 15.184 -3.122 1.00 0.00 N ATOM 663 CA GLY A 47 5.944 14.440 -1.914 1.00 0.00 C ATOM 664 C GLY A 47 6.860 14.803 -0.763 1.00 0.00 C ATOM 665 O GLY A 47 6.411 15.328 0.255 1.00 0.00 O ATOM 0 H GLY A 47 7.190 15.036 -3.490 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.910 14.630 -1.626 1.00 0.00 H new ATOM 0 HA3 GLY A 47 6.027 13.372 -2.118 1.00 0.00 H new ATOM 669 N GLY A 48 8.150 14.520 -0.922 1.00 0.00 N ATOM 670 CA GLY A 48 9.111 14.825 0.122 1.00 0.00 C ATOM 671 C GLY A 48 8.560 14.566 1.510 1.00 0.00 C ATOM 672 O GLY A 48 8.378 15.496 2.296 1.00 0.00 O ATOM 0 H GLY A 48 8.546 14.085 -1.755 1.00 0.00 H new ATOM 0 HA2 GLY A 48 10.008 14.224 -0.027 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.410 15.870 0.042 1.00 0.00 H new ATOM 676 N ASP A 49 8.293 13.300 1.813 1.00 0.00 N ATOM 677 CA ASP A 49 7.758 12.922 3.116 1.00 0.00 C ATOM 678 C ASP A 49 8.186 11.506 3.488 1.00 0.00 C ATOM 679 O ASP A 49 8.864 10.829 2.716 1.00 0.00 O ATOM 680 CB ASP A 49 6.232 13.024 3.115 1.00 0.00 C ATOM 681 CG ASP A 49 5.744 14.412 3.478 1.00 0.00 C ATOM 682 OD1 ASP A 49 5.876 15.327 2.638 1.00 0.00 O ATOM 683 OD2 ASP A 49 5.230 14.584 4.603 1.00 0.00 O ATOM 0 H ASP A 49 8.438 12.518 1.174 1.00 0.00 H new ATOM 0 HA ASP A 49 8.159 13.611 3.860 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.854 12.756 2.129 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.822 12.302 3.821 1.00 0.00 H new ATOM 688 N ASN A 50 7.785 11.065 4.676 1.00 0.00 N ATOM 689 CA ASN A 50 8.129 9.730 5.152 1.00 0.00 C ATOM 690 C ASN A 50 6.959 8.768 4.963 1.00 0.00 C ATOM 691 O ASN A 50 5.943 8.867 5.651 1.00 0.00 O ATOM 692 CB ASN A 50 8.531 9.779 6.627 1.00 0.00 C ATOM 693 CG ASN A 50 10.018 10.008 6.814 1.00 0.00 C ATOM 694 OD1 ASN A 50 10.751 9.105 7.220 1.00 0.00 O ATOM 695 ND2 ASN A 50 10.471 11.220 6.517 1.00 0.00 N ATOM 0 H ASN A 50 7.222 11.613 5.327 1.00 0.00 H new ATOM 0 HA ASN A 50 8.973 9.368 4.565 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.978 10.575 7.125 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.247 8.844 7.109 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.463 11.434 6.622 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.827 11.938 6.184 1.00 0.00 H new ATOM 702 N VAL A 51 7.111 7.837 4.027 1.00 0.00 N ATOM 703 CA VAL A 51 6.069 6.856 3.748 1.00 0.00 C ATOM 704 C VAL A 51 6.401 5.508 4.378 1.00 0.00 C ATOM 705 O VAL A 51 7.488 4.969 4.175 1.00 0.00 O ATOM 706 CB VAL A 51 5.866 6.667 2.233 1.00 0.00 C ATOM 707 CG1 VAL A 51 4.810 5.605 1.964 1.00 0.00 C ATOM 708 CG2 VAL A 51 5.486 7.986 1.578 1.00 0.00 C ATOM 0 H VAL A 51 7.946 7.741 3.449 1.00 0.00 H new ATOM 0 HA VAL A 51 5.147 7.241 4.184 1.00 0.00 H new ATOM 0 HB VAL A 51 6.806 6.329 1.797 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.680 5.485 0.888 1.00 0.00 H new ATOM 0 HG12 VAL A 51 5.128 4.657 2.399 1.00 0.00 H new ATOM 0 HG13 VAL A 51 3.864 5.911 2.412 1.00 0.00 H new ATOM 0 HG21 VAL A 51 5.347 7.834 0.508 1.00 0.00 H new ATOM 0 HG22 VAL A 51 4.559 8.356 2.016 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.280 8.715 1.740 1.00 0.00 H new ATOM 718 N GLN A 52 5.456 4.969 5.142 1.00 0.00 N ATOM 719 CA GLN A 52 5.649 3.683 5.801 1.00 0.00 C ATOM 720 C GLN A 52 4.748 2.616 5.188 1.00 0.00 C ATOM 721 O GLN A 52 3.523 2.727 5.226 1.00 0.00 O ATOM 722 CB GLN A 52 5.367 3.807 7.300 1.00 0.00 C ATOM 723 CG GLN A 52 6.554 4.313 8.103 1.00 0.00 C ATOM 724 CD GLN A 52 7.696 3.317 8.146 1.00 0.00 C ATOM 725 OE1 GLN A 52 7.530 2.183 8.595 1.00 0.00 O ATOM 726 NE2 GLN A 52 8.866 3.738 7.678 1.00 0.00 N ATOM 0 H GLN A 52 4.550 5.403 5.320 1.00 0.00 H new ATOM 0 HA GLN A 52 6.687 3.382 5.657 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.525 4.483 7.448 1.00 0.00 H new ATOM 0 HB3 GLN A 52 5.066 2.833 7.686 1.00 0.00 H new ATOM 0 HG2 GLN A 52 6.909 5.248 7.670 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.232 4.535 9.120 1.00 0.00 H new ATOM 0 HE21 GLN A 52 8.959 4.687 7.315 1.00 0.00 H new ATOM 0 HE22 GLN A 52 9.672 3.112 7.682 1.00 0.00 H new ATOM 735 N VAL A 53 5.364 1.582 4.624 1.00 0.00 N ATOM 736 CA VAL A 53 4.617 0.494 4.003 1.00 0.00 C ATOM 737 C VAL A 53 4.932 -0.840 4.671 1.00 0.00 C ATOM 738 O VAL A 53 6.095 -1.195 4.856 1.00 0.00 O ATOM 739 CB VAL A 53 4.928 0.387 2.498 1.00 0.00 C ATOM 740 CG1 VAL A 53 4.176 -0.781 1.879 1.00 0.00 C ATOM 741 CG2 VAL A 53 4.584 1.688 1.790 1.00 0.00 C ATOM 0 H VAL A 53 6.378 1.475 4.584 1.00 0.00 H new ATOM 0 HA VAL A 53 3.559 0.722 4.133 1.00 0.00 H new ATOM 0 HB VAL A 53 5.996 0.205 2.377 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.408 -0.841 0.816 1.00 0.00 H new ATOM 0 HG12 VAL A 53 4.476 -1.707 2.369 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.104 -0.633 2.009 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.810 1.595 0.728 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.523 1.902 1.918 1.00 0.00 H new ATOM 0 HG23 VAL A 53 5.172 2.501 2.216 1.00 0.00 H new ATOM 751 N ALA A 54 3.885 -1.575 5.033 1.00 0.00 N ATOM 752 CA ALA A 54 4.049 -2.872 5.679 1.00 0.00 C ATOM 753 C ALA A 54 2.908 -3.815 5.315 1.00 0.00 C ATOM 754 O ALA A 54 1.758 -3.394 5.185 1.00 0.00 O ATOM 755 CB ALA A 54 4.135 -2.702 7.188 1.00 0.00 C ATOM 0 H ALA A 54 2.915 -1.295 4.890 1.00 0.00 H new ATOM 0 HA ALA A 54 4.979 -3.314 5.320 1.00 0.00 H new ATOM 0 HB1 ALA A 54 4.257 -3.678 7.658 1.00 0.00 H new ATOM 0 HB2 ALA A 54 4.989 -2.071 7.435 1.00 0.00 H new ATOM 0 HB3 ALA A 54 3.221 -2.235 7.554 1.00 0.00 H new ATOM 761 N VAL A 55 3.232 -5.093 5.150 1.00 0.00 N ATOM 762 CA VAL A 55 2.234 -6.097 4.801 1.00 0.00 C ATOM 763 C VAL A 55 2.261 -7.264 5.781 1.00 0.00 C ATOM 764 O VAL A 55 3.302 -7.887 5.993 1.00 0.00 O ATOM 765 CB VAL A 55 2.453 -6.634 3.374 1.00 0.00 C ATOM 766 CG1 VAL A 55 1.502 -7.785 3.085 1.00 0.00 C ATOM 767 CG2 VAL A 55 2.281 -5.520 2.353 1.00 0.00 C ATOM 0 H VAL A 55 4.179 -5.458 5.252 1.00 0.00 H new ATOM 0 HA VAL A 55 1.262 -5.607 4.852 1.00 0.00 H new ATOM 0 HB VAL A 55 3.473 -7.010 3.299 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.671 -8.151 2.072 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.679 -8.591 3.797 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.473 -7.439 3.178 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.439 -5.918 1.351 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.273 -5.112 2.426 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.007 -4.731 2.549 1.00 0.00 H new ATOM 777 N VAL A 56 1.110 -7.555 6.378 1.00 0.00 N ATOM 778 CA VAL A 56 1.001 -8.649 7.336 1.00 0.00 C ATOM 779 C VAL A 56 -0.302 -9.418 7.146 1.00 0.00 C ATOM 780 O VAL A 56 -1.395 -8.853 7.172 1.00 0.00 O ATOM 781 CB VAL A 56 1.073 -8.135 8.786 1.00 0.00 C ATOM 782 CG1 VAL A 56 1.355 -9.281 9.746 1.00 0.00 C ATOM 783 CG2 VAL A 56 2.131 -7.049 8.914 1.00 0.00 C ATOM 0 H VAL A 56 0.240 -7.049 6.215 1.00 0.00 H new ATOM 0 HA VAL A 56 1.844 -9.315 7.152 1.00 0.00 H new ATOM 0 HB VAL A 56 0.107 -7.703 9.048 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.402 -8.898 10.766 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.558 -10.021 9.673 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.307 -9.746 9.488 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.168 -6.697 9.945 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.103 -7.453 8.633 1.00 0.00 H new ATOM 0 HG23 VAL A 56 1.880 -6.217 8.256 1.00 0.00 H new ATOM 793 N PRO A 57 -0.185 -10.740 6.950 1.00 0.00 N ATOM 794 CA PRO A 57 -1.344 -11.616 6.752 1.00 0.00 C ATOM 795 C PRO A 57 -2.171 -11.779 8.023 1.00 0.00 C ATOM 796 O PRO A 57 -1.643 -12.123 9.080 1.00 0.00 O ATOM 797 CB PRO A 57 -0.713 -12.952 6.350 1.00 0.00 C ATOM 798 CG PRO A 57 0.653 -12.920 6.943 1.00 0.00 C ATOM 799 CD PRO A 57 1.087 -11.481 6.907 1.00 0.00 C ATOM 0 HA PRO A 57 -2.037 -11.215 6.012 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.291 -13.794 6.732 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -0.672 -13.060 5.266 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.644 -13.299 7.965 1.00 0.00 H new ATOM 0 HG3 PRO A 57 1.339 -13.549 6.376 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.726 -11.233 7.755 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.654 -11.255 6.004 1.00 0.00 H new ATOM 807 N LYS A 58 -3.471 -11.530 7.912 1.00 0.00 N ATOM 808 CA LYS A 58 -4.374 -11.650 9.051 1.00 0.00 C ATOM 809 C LYS A 58 -4.302 -13.048 9.657 1.00 0.00 C ATOM 810 O LYS A 58 -4.522 -13.228 10.854 1.00 0.00 O ATOM 811 CB LYS A 58 -5.810 -11.340 8.625 1.00 0.00 C ATOM 812 CG LYS A 58 -6.677 -10.805 9.752 1.00 0.00 C ATOM 813 CD LYS A 58 -7.813 -9.946 9.222 1.00 0.00 C ATOM 814 CE LYS A 58 -9.031 -10.011 10.131 1.00 0.00 C ATOM 815 NZ LYS A 58 -8.836 -9.219 11.377 1.00 0.00 N ATOM 0 H LYS A 58 -3.924 -11.244 7.044 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.063 -10.929 9.807 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.790 -10.611 7.815 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -6.266 -12.246 8.226 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -7.086 -11.638 10.324 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -6.064 -10.218 10.436 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.478 -8.912 9.133 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.086 -10.279 8.221 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -9.904 -9.637 9.596 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -9.236 -11.050 10.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.688 -9.289 11.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.018 -9.592 11.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.665 -8.223 11.132 1.00 0.00 H new ATOM 829 N ASP A 59 -3.993 -14.034 8.822 1.00 0.00 N ATOM 830 CA ASP A 59 -3.890 -15.416 9.276 1.00 0.00 C ATOM 831 C ASP A 59 -2.641 -15.617 10.128 1.00 0.00 C ATOM 832 O ASP A 59 -2.698 -16.217 11.202 1.00 0.00 O ATOM 833 CB ASP A 59 -3.863 -16.368 8.078 1.00 0.00 C ATOM 834 CG ASP A 59 -4.158 -17.802 8.472 1.00 0.00 C ATOM 835 OD1 ASP A 59 -3.665 -18.239 9.534 1.00 0.00 O ATOM 836 OD2 ASP A 59 -4.882 -18.487 7.720 1.00 0.00 O ATOM 0 H ASP A 59 -3.810 -13.902 7.827 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.765 -15.637 9.888 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -4.594 -16.039 7.340 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.884 -16.319 7.601 1.00 0.00 H new ATOM 841 N LYS A 60 -1.512 -15.112 9.642 1.00 0.00 N ATOM 842 CA LYS A 60 -0.248 -15.234 10.359 1.00 0.00 C ATOM 843 C LYS A 60 0.211 -13.879 10.888 1.00 0.00 C ATOM 844 O LYS A 60 0.387 -12.930 10.125 1.00 0.00 O ATOM 845 CB LYS A 60 0.826 -15.826 9.442 1.00 0.00 C ATOM 846 CG LYS A 60 0.454 -17.181 8.866 1.00 0.00 C ATOM 847 CD LYS A 60 0.859 -18.312 9.795 1.00 0.00 C ATOM 848 CE LYS A 60 -0.270 -18.686 10.743 1.00 0.00 C ATOM 849 NZ LYS A 60 0.244 -19.191 12.047 1.00 0.00 N ATOM 0 H LYS A 60 -1.447 -14.614 8.754 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.403 -15.901 11.207 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.015 -15.132 8.623 1.00 0.00 H new ATOM 0 HB3 LYS A 60 1.757 -15.921 10.001 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -0.621 -17.220 8.691 1.00 0.00 H new ATOM 0 HG3 LYS A 60 0.939 -17.312 7.899 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.145 -19.184 9.206 1.00 0.00 H new ATOM 0 HD3 LYS A 60 1.736 -18.015 10.371 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.903 -17.816 10.915 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -0.896 -19.449 10.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -0.556 -19.435 12.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.828 -20.037 11.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 0.820 -18.454 12.502 1.00 0.00 H new ATOM 863 N LYS A 61 0.405 -13.797 12.200 1.00 0.00 N ATOM 864 CA LYS A 61 0.846 -12.560 12.833 1.00 0.00 C ATOM 865 C LYS A 61 2.356 -12.391 12.703 1.00 0.00 C ATOM 866 O LYS A 61 2.862 -11.270 12.645 1.00 0.00 O ATOM 867 CB LYS A 61 0.446 -12.547 14.310 1.00 0.00 C ATOM 868 CG LYS A 61 1.067 -13.673 15.118 1.00 0.00 C ATOM 869 CD LYS A 61 0.376 -13.843 16.460 1.00 0.00 C ATOM 870 CE LYS A 61 0.453 -15.282 16.948 1.00 0.00 C ATOM 871 NZ LYS A 61 -0.023 -15.417 18.353 1.00 0.00 N ATOM 0 H LYS A 61 0.264 -14.574 12.846 1.00 0.00 H new ATOM 0 HA LYS A 61 0.359 -11.728 12.324 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.738 -11.593 14.748 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.639 -12.613 14.384 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.004 -14.604 14.555 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.126 -13.467 15.276 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.838 -13.183 17.195 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.668 -13.542 16.374 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.148 -15.919 16.298 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.482 -15.635 16.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.045 -16.412 18.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.566 -14.829 18.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.013 -15.104 18.416 1.00 0.00 H new ATOM 885 N ASP A 62 3.070 -13.510 12.656 1.00 0.00 N ATOM 886 CA ASP A 62 4.523 -13.486 12.530 1.00 0.00 C ATOM 887 C ASP A 62 4.941 -13.448 11.064 1.00 0.00 C ATOM 888 O ASP A 62 5.530 -12.471 10.601 1.00 0.00 O ATOM 889 CB ASP A 62 5.136 -14.707 13.217 1.00 0.00 C ATOM 890 CG ASP A 62 4.816 -14.760 14.698 1.00 0.00 C ATOM 891 OD1 ASP A 62 5.587 -14.182 15.493 1.00 0.00 O ATOM 892 OD2 ASP A 62 3.795 -15.379 15.061 1.00 0.00 O ATOM 0 H ASP A 62 2.666 -14.446 12.703 1.00 0.00 H new ATOM 0 HA ASP A 62 4.890 -12.583 13.017 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.768 -15.613 12.736 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.218 -14.691 13.082 1.00 0.00 H new ATOM 897 N SER A 63 4.633 -14.518 10.338 1.00 0.00 N ATOM 898 CA SER A 63 4.981 -14.609 8.925 1.00 0.00 C ATOM 899 C SER A 63 4.968 -13.230 8.272 1.00 0.00 C ATOM 900 O SER A 63 3.930 -12.732 7.836 1.00 0.00 O ATOM 901 CB SER A 63 4.008 -15.540 8.197 1.00 0.00 C ATOM 902 OG SER A 63 4.455 -15.817 6.882 1.00 0.00 O ATOM 0 H SER A 63 4.143 -15.334 10.705 1.00 0.00 H new ATOM 0 HA SER A 63 5.989 -15.018 8.850 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.906 -16.472 8.754 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.020 -15.081 8.160 1.00 0.00 H new ATOM 0 HG SER A 63 3.817 -16.415 6.439 1.00 0.00 H new ATOM 908 N PRO A 64 6.149 -12.599 8.203 1.00 0.00 N ATOM 909 CA PRO A 64 6.301 -11.269 7.604 1.00 0.00 C ATOM 910 C PRO A 64 6.112 -11.289 6.091 1.00 0.00 C ATOM 911 O PRO A 64 5.937 -12.349 5.491 1.00 0.00 O ATOM 912 CB PRO A 64 7.740 -10.884 7.958 1.00 0.00 C ATOM 913 CG PRO A 64 8.446 -12.183 8.140 1.00 0.00 C ATOM 914 CD PRO A 64 7.426 -13.134 8.702 1.00 0.00 C ATOM 0 HA PRO A 64 5.553 -10.567 7.974 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.198 -10.292 7.165 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.777 -10.283 8.866 1.00 0.00 H new ATOM 0 HG2 PRO A 64 8.840 -12.549 7.192 1.00 0.00 H new ATOM 0 HG3 PRO A 64 9.293 -12.075 8.817 1.00 0.00 H new ATOM 0 HD2 PRO A 64 7.596 -14.154 8.358 1.00 0.00 H new ATOM 0 HD3 PRO A 64 7.454 -13.156 9.791 1.00 0.00 H new ATOM 922 N VAL A 65 6.149 -10.109 5.479 1.00 0.00 N ATOM 923 CA VAL A 65 5.983 -9.992 4.036 1.00 0.00 C ATOM 924 C VAL A 65 6.963 -8.981 3.451 1.00 0.00 C ATOM 925 O VAL A 65 6.854 -7.780 3.698 1.00 0.00 O ATOM 926 CB VAL A 65 4.548 -9.570 3.668 1.00 0.00 C ATOM 927 CG1 VAL A 65 4.438 -9.292 2.177 1.00 0.00 C ATOM 928 CG2 VAL A 65 3.553 -10.640 4.094 1.00 0.00 C ATOM 0 H VAL A 65 6.292 -9.221 5.961 1.00 0.00 H new ATOM 0 HA VAL A 65 6.184 -10.976 3.614 1.00 0.00 H new ATOM 0 HB VAL A 65 4.310 -8.650 4.203 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.417 -8.995 1.937 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.123 -8.489 1.905 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.695 -10.192 1.619 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.544 -10.326 3.827 1.00 0.00 H new ATOM 0 HG22 VAL A 65 3.787 -11.577 3.588 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.614 -10.785 5.173 1.00 0.00 H new ATOM 938 N ARG A 66 7.921 -9.476 2.673 1.00 0.00 N ATOM 939 CA ARG A 66 8.922 -8.617 2.053 1.00 0.00 C ATOM 940 C ARG A 66 8.268 -7.627 1.092 1.00 0.00 C ATOM 941 O ARG A 66 7.495 -8.014 0.215 1.00 0.00 O ATOM 942 CB ARG A 66 9.957 -9.460 1.307 1.00 0.00 C ATOM 943 CG ARG A 66 11.143 -9.869 2.166 1.00 0.00 C ATOM 944 CD ARG A 66 12.255 -8.833 2.110 1.00 0.00 C ATOM 945 NE ARG A 66 12.064 -7.771 3.095 1.00 0.00 N ATOM 946 CZ ARG A 66 12.226 -7.944 4.402 1.00 0.00 C ATOM 947 NH1 ARG A 66 12.581 -9.129 4.878 1.00 0.00 N ATOM 948 NH2 ARG A 66 12.034 -6.929 5.235 1.00 0.00 N ATOM 0 H ARG A 66 8.024 -10.468 2.457 1.00 0.00 H new ATOM 0 HA ARG A 66 9.422 -8.055 2.842 1.00 0.00 H new ATOM 0 HB2 ARG A 66 9.473 -10.357 0.921 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.319 -8.898 0.446 1.00 0.00 H new ATOM 0 HG2 ARG A 66 10.818 -10.000 3.198 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.524 -10.832 1.827 1.00 0.00 H new ATOM 0 HD2 ARG A 66 13.214 -9.321 2.284 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.295 -8.398 1.111 1.00 0.00 H new ATOM 0 HE ARG A 66 11.791 -6.847 2.761 1.00 0.00 H new ATOM 0 HH11 ARG A 66 12.731 -9.911 4.240 1.00 0.00 H new ATOM 0 HH12 ARG A 66 12.705 -9.259 5.882 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.762 -6.016 4.872 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.158 -7.062 6.239 1.00 0.00 H new ATOM 962 N THR A 67 8.584 -6.347 1.263 1.00 0.00 N ATOM 963 CA THR A 67 8.028 -5.302 0.414 1.00 0.00 C ATOM 964 C THR A 67 9.130 -4.444 -0.196 1.00 0.00 C ATOM 965 O THR A 67 10.291 -4.533 0.203 1.00 0.00 O ATOM 966 CB THR A 67 7.061 -4.395 1.199 1.00 0.00 C ATOM 967 OG1 THR A 67 7.684 -3.947 2.408 1.00 0.00 O ATOM 968 CG2 THR A 67 5.773 -5.135 1.529 1.00 0.00 C ATOM 0 H THR A 67 9.223 -6.009 1.983 1.00 0.00 H new ATOM 0 HA THR A 67 7.478 -5.802 -0.383 1.00 0.00 H new ATOM 0 HB THR A 67 6.817 -3.534 0.576 1.00 0.00 H new ATOM 0 HG1 THR A 67 7.064 -3.370 2.901 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.106 -4.475 2.083 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.287 -5.450 0.605 1.00 0.00 H new ATOM 0 HG23 THR A 67 6.002 -6.011 2.135 1.00 0.00 H new ATOM 976 N MET A 68 8.759 -3.611 -1.163 1.00 0.00 N ATOM 977 CA MET A 68 9.717 -2.735 -1.826 1.00 0.00 C ATOM 978 C MET A 68 9.117 -1.352 -2.062 1.00 0.00 C ATOM 979 O MET A 68 8.043 -1.223 -2.649 1.00 0.00 O ATOM 980 CB MET A 68 10.162 -3.344 -3.157 1.00 0.00 C ATOM 981 CG MET A 68 11.578 -2.962 -3.558 1.00 0.00 C ATOM 982 SD MET A 68 11.671 -1.318 -4.293 1.00 0.00 S ATOM 983 CE MET A 68 12.900 -0.547 -3.243 1.00 0.00 C ATOM 0 H MET A 68 7.802 -3.525 -1.505 1.00 0.00 H new ATOM 0 HA MET A 68 10.585 -2.629 -1.175 1.00 0.00 H new ATOM 0 HB2 MET A 68 10.092 -4.430 -3.092 1.00 0.00 H new ATOM 0 HB3 MET A 68 9.473 -3.027 -3.940 1.00 0.00 H new ATOM 0 HG2 MET A 68 12.223 -3.001 -2.680 1.00 0.00 H new ATOM 0 HG3 MET A 68 11.961 -3.695 -4.268 1.00 0.00 H new ATOM 0 HE1 MET A 68 13.055 0.484 -3.561 1.00 0.00 H new ATOM 0 HE2 MET A 68 12.555 -0.560 -2.209 1.00 0.00 H new ATOM 0 HE3 MET A 68 13.839 -1.095 -3.319 1.00 0.00 H new ATOM 993 N VAL A 69 9.818 -0.322 -1.600 1.00 0.00 N ATOM 994 CA VAL A 69 9.354 1.051 -1.761 1.00 0.00 C ATOM 995 C VAL A 69 10.357 1.880 -2.555 1.00 0.00 C ATOM 996 O VAL A 69 11.447 2.184 -2.071 1.00 0.00 O ATOM 997 CB VAL A 69 9.113 1.726 -0.397 1.00 0.00 C ATOM 998 CG1 VAL A 69 10.323 1.551 0.507 1.00 0.00 C ATOM 999 CG2 VAL A 69 8.785 3.200 -0.583 1.00 0.00 C ATOM 0 H VAL A 69 10.709 -0.412 -1.111 1.00 0.00 H new ATOM 0 HA VAL A 69 8.412 1.005 -2.307 1.00 0.00 H new ATOM 0 HB VAL A 69 8.260 1.245 0.081 1.00 0.00 H new ATOM 0 HG11 VAL A 69 10.134 2.034 1.466 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.507 0.489 0.666 1.00 0.00 H new ATOM 0 HG13 VAL A 69 11.196 2.004 0.038 1.00 0.00 H new ATOM 0 HG21 VAL A 69 8.618 3.661 0.390 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.616 3.698 -1.082 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.885 3.299 -1.191 1.00 0.00 H new ATOM 1009 N GLN A 70 9.981 2.244 -3.777 1.00 0.00 N ATOM 1010 CA GLN A 70 10.848 3.038 -4.639 1.00 0.00 C ATOM 1011 C GLN A 70 10.544 4.526 -4.495 1.00 0.00 C ATOM 1012 O GLN A 70 9.511 5.006 -4.961 1.00 0.00 O ATOM 1013 CB GLN A 70 10.683 2.610 -6.098 1.00 0.00 C ATOM 1014 CG GLN A 70 11.793 3.111 -7.008 1.00 0.00 C ATOM 1015 CD GLN A 70 13.170 2.682 -6.539 1.00 0.00 C ATOM 1016 OE1 GLN A 70 13.875 3.441 -5.872 1.00 0.00 O ATOM 1017 NE2 GLN A 70 13.561 1.462 -6.886 1.00 0.00 N ATOM 0 H GLN A 70 9.081 2.001 -4.192 1.00 0.00 H new ATOM 0 HA GLN A 70 11.880 2.865 -4.332 1.00 0.00 H new ATOM 0 HB2 GLN A 70 10.648 1.522 -6.147 1.00 0.00 H new ATOM 0 HB3 GLN A 70 9.726 2.977 -6.470 1.00 0.00 H new ATOM 0 HG2 GLN A 70 11.625 2.739 -8.019 1.00 0.00 H new ATOM 0 HG3 GLN A 70 11.753 4.199 -7.058 1.00 0.00 H new ATOM 0 HE21 GLN A 70 12.944 0.867 -7.439 1.00 0.00 H new ATOM 0 HE22 GLN A 70 14.478 1.120 -6.599 1.00 0.00 H new ATOM 1026 N ASP A 71 11.450 5.250 -3.847 1.00 0.00 N ATOM 1027 CA ASP A 71 11.278 6.683 -3.642 1.00 0.00 C ATOM 1028 C ASP A 71 11.537 7.451 -4.935 1.00 0.00 C ATOM 1029 O ASP A 71 12.594 7.314 -5.549 1.00 0.00 O ATOM 1030 CB ASP A 71 12.219 7.179 -2.543 1.00 0.00 C ATOM 1031 CG ASP A 71 13.580 6.514 -2.602 1.00 0.00 C ATOM 1032 OD1 ASP A 71 13.731 5.420 -2.019 1.00 0.00 O ATOM 1033 OD2 ASP A 71 14.495 7.088 -3.229 1.00 0.00 O ATOM 0 H ASP A 71 12.311 4.868 -3.455 1.00 0.00 H new ATOM 0 HA ASP A 71 10.247 6.860 -3.335 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.341 8.258 -2.633 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.767 6.990 -1.569 1.00 0.00 H new ATOM 1038 N ASN A 72 10.564 8.260 -5.342 1.00 0.00 N ATOM 1039 CA ASN A 72 10.686 9.049 -6.562 1.00 0.00 C ATOM 1040 C ASN A 72 10.701 10.541 -6.246 1.00 0.00 C ATOM 1041 O ASN A 72 11.352 11.327 -6.936 1.00 0.00 O ATOM 1042 CB ASN A 72 9.533 8.730 -7.517 1.00 0.00 C ATOM 1043 CG ASN A 72 9.739 7.423 -8.256 1.00 0.00 C ATOM 1044 OD1 ASN A 72 10.689 7.275 -9.026 1.00 0.00 O ATOM 1045 ND2 ASN A 72 8.848 6.466 -8.025 1.00 0.00 N ATOM 0 H ASN A 72 9.682 8.386 -4.845 1.00 0.00 H new ATOM 0 HA ASN A 72 11.630 8.788 -7.041 1.00 0.00 H new ATOM 0 HB2 ASN A 72 8.601 8.683 -6.954 1.00 0.00 H new ATOM 0 HB3 ASN A 72 9.428 9.540 -8.239 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.935 5.564 -8.494 1.00 0.00 H new ATOM 0 HD22 ASN A 72 8.077 6.633 -7.379 1.00 0.00 H new ATOM 1052 N LYS A 73 9.982 10.926 -5.197 1.00 0.00 N ATOM 1053 CA LYS A 73 9.913 12.323 -4.787 1.00 0.00 C ATOM 1054 C LYS A 73 9.415 13.202 -5.930 1.00 0.00 C ATOM 1055 O LYS A 73 9.912 14.310 -6.135 1.00 0.00 O ATOM 1056 CB LYS A 73 11.288 12.807 -4.319 1.00 0.00 C ATOM 1057 CG LYS A 73 11.896 11.944 -3.226 1.00 0.00 C ATOM 1058 CD LYS A 73 11.248 12.214 -1.878 1.00 0.00 C ATOM 1059 CE LYS A 73 12.212 11.942 -0.733 1.00 0.00 C ATOM 1060 NZ LYS A 73 13.204 13.040 -0.571 1.00 0.00 N ATOM 0 H LYS A 73 9.438 10.289 -4.615 1.00 0.00 H new ATOM 0 HA LYS A 73 9.207 12.398 -3.960 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.966 12.829 -5.172 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.199 13.831 -3.955 1.00 0.00 H new ATOM 0 HG2 LYS A 73 11.777 10.892 -3.484 1.00 0.00 H new ATOM 0 HG3 LYS A 73 12.967 12.138 -3.161 1.00 0.00 H new ATOM 0 HD2 LYS A 73 10.913 13.250 -1.835 1.00 0.00 H new ATOM 0 HD3 LYS A 73 10.363 11.588 -1.766 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.651 11.820 0.193 1.00 0.00 H new ATOM 0 HE3 LYS A 73 12.736 11.003 -0.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 14.080 12.659 -0.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 13.411 13.460 -1.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 12.815 13.769 0.060 1.00 0.00 H new ATOM 1074 N ASP A 74 8.432 12.702 -6.669 1.00 0.00 N ATOM 1075 CA ASP A 74 7.865 13.444 -7.790 1.00 0.00 C ATOM 1076 C ASP A 74 6.356 13.599 -7.632 1.00 0.00 C ATOM 1077 O ASP A 74 5.612 13.568 -8.611 1.00 0.00 O ATOM 1078 CB ASP A 74 8.182 12.737 -9.109 1.00 0.00 C ATOM 1079 CG ASP A 74 9.532 13.138 -9.671 1.00 0.00 C ATOM 1080 OD1 ASP A 74 10.472 13.336 -8.873 1.00 0.00 O ATOM 1081 OD2 ASP A 74 9.649 13.254 -10.909 1.00 0.00 O ATOM 0 H ASP A 74 8.011 11.786 -6.513 1.00 0.00 H new ATOM 0 HA ASP A 74 8.315 14.437 -7.801 1.00 0.00 H new ATOM 0 HB2 ASP A 74 8.162 11.658 -8.954 1.00 0.00 H new ATOM 0 HB3 ASP A 74 7.405 12.968 -9.838 1.00 0.00 H new ATOM 1086 N GLY A 75 5.910 13.764 -6.390 1.00 0.00 N ATOM 1087 CA GLY A 75 4.492 13.920 -6.126 1.00 0.00 C ATOM 1088 C GLY A 75 3.825 12.612 -5.748 1.00 0.00 C ATOM 1089 O GLY A 75 2.824 12.600 -5.031 1.00 0.00 O ATOM 0 H GLY A 75 6.506 13.792 -5.562 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.353 14.641 -5.321 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.004 14.331 -7.010 1.00 0.00 H new ATOM 1093 N THR A 76 4.379 11.505 -6.233 1.00 0.00 N ATOM 1094 CA THR A 76 3.831 10.186 -5.945 1.00 0.00 C ATOM 1095 C THR A 76 4.938 9.190 -5.619 1.00 0.00 C ATOM 1096 O THR A 76 6.122 9.518 -5.689 1.00 0.00 O ATOM 1097 CB THR A 76 3.006 9.650 -7.130 1.00 0.00 C ATOM 1098 OG1 THR A 76 3.812 9.618 -8.314 1.00 0.00 O ATOM 1099 CG2 THR A 76 1.778 10.514 -7.371 1.00 0.00 C ATOM 0 H THR A 76 5.208 11.496 -6.828 1.00 0.00 H new ATOM 0 HA THR A 76 3.179 10.297 -5.078 1.00 0.00 H new ATOM 0 HB THR A 76 2.677 8.640 -6.886 1.00 0.00 H new ATOM 0 HG1 THR A 76 3.281 9.274 -9.062 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.212 10.115 -8.213 1.00 0.00 H new ATOM 0 HG22 THR A 76 1.151 10.513 -6.479 1.00 0.00 H new ATOM 0 HG23 THR A 76 2.089 11.534 -7.594 1.00 0.00 H new ATOM 1107 N TYR A 77 4.545 7.972 -5.262 1.00 0.00 N ATOM 1108 CA TYR A 77 5.504 6.928 -4.923 1.00 0.00 C ATOM 1109 C TYR A 77 5.153 5.618 -5.621 1.00 0.00 C ATOM 1110 O TYR A 77 4.027 5.429 -6.083 1.00 0.00 O ATOM 1111 CB TYR A 77 5.545 6.717 -3.409 1.00 0.00 C ATOM 1112 CG TYR A 77 6.257 7.822 -2.662 1.00 0.00 C ATOM 1113 CD1 TYR A 77 5.572 8.955 -2.239 1.00 0.00 C ATOM 1114 CD2 TYR A 77 7.615 7.735 -2.381 1.00 0.00 C ATOM 1115 CE1 TYR A 77 6.218 9.968 -1.558 1.00 0.00 C ATOM 1116 CE2 TYR A 77 8.269 8.743 -1.698 1.00 0.00 C ATOM 1117 CZ TYR A 77 7.566 9.857 -1.289 1.00 0.00 C ATOM 1118 OH TYR A 77 8.215 10.863 -0.610 1.00 0.00 O ATOM 0 H TYR A 77 3.569 7.684 -5.200 1.00 0.00 H new ATOM 0 HA TYR A 77 6.488 7.249 -5.266 1.00 0.00 H new ATOM 0 HB2 TYR A 77 4.525 6.636 -3.034 1.00 0.00 H new ATOM 0 HB3 TYR A 77 6.039 5.769 -3.196 1.00 0.00 H new ATOM 0 HD1 TYR A 77 4.516 9.045 -2.447 1.00 0.00 H new ATOM 0 HD2 TYR A 77 8.169 6.865 -2.702 1.00 0.00 H new ATOM 0 HE1 TYR A 77 5.671 10.842 -1.238 1.00 0.00 H new ATOM 0 HE2 TYR A 77 9.325 8.659 -1.486 1.00 0.00 H new ATOM 0 HH TYR A 77 9.083 10.537 -0.293 1.00 0.00 H new ATOM 1128 N TYR A 78 6.125 4.715 -5.693 1.00 0.00 N ATOM 1129 CA TYR A 78 5.921 3.422 -6.336 1.00 0.00 C ATOM 1130 C TYR A 78 6.163 2.281 -5.354 1.00 0.00 C ATOM 1131 O TYR A 78 7.305 1.906 -5.090 1.00 0.00 O ATOM 1132 CB TYR A 78 6.849 3.277 -7.543 1.00 0.00 C ATOM 1133 CG TYR A 78 6.357 2.283 -8.570 1.00 0.00 C ATOM 1134 CD1 TYR A 78 5.086 2.395 -9.121 1.00 0.00 C ATOM 1135 CD2 TYR A 78 7.161 1.230 -8.989 1.00 0.00 C ATOM 1136 CE1 TYR A 78 4.631 1.489 -10.059 1.00 0.00 C ATOM 1137 CE2 TYR A 78 6.715 0.320 -9.928 1.00 0.00 C ATOM 1138 CZ TYR A 78 5.450 0.453 -10.459 1.00 0.00 C ATOM 1139 OH TYR A 78 5.001 -0.452 -11.394 1.00 0.00 O ATOM 0 H TYR A 78 7.062 4.855 -5.314 1.00 0.00 H new ATOM 0 HA TYR A 78 4.886 3.372 -6.674 1.00 0.00 H new ATOM 0 HB2 TYR A 78 6.966 4.250 -8.019 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.836 2.970 -7.197 1.00 0.00 H new ATOM 0 HD1 TYR A 78 4.443 3.205 -8.810 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.152 1.121 -8.573 1.00 0.00 H new ATOM 0 HE1 TYR A 78 3.640 1.591 -10.477 1.00 0.00 H new ATOM 0 HE2 TYR A 78 7.354 -0.491 -10.244 1.00 0.00 H new ATOM 0 HH TYR A 78 5.699 -1.118 -11.566 1.00 0.00 H new ATOM 1149 N ILE A 79 5.079 1.732 -4.815 1.00 0.00 N ATOM 1150 CA ILE A 79 5.172 0.633 -3.863 1.00 0.00 C ATOM 1151 C ILE A 79 4.909 -0.707 -4.543 1.00 0.00 C ATOM 1152 O ILE A 79 4.025 -0.821 -5.392 1.00 0.00 O ATOM 1153 CB ILE A 79 4.178 0.809 -2.700 1.00 0.00 C ATOM 1154 CG1 ILE A 79 4.369 2.175 -2.040 1.00 0.00 C ATOM 1155 CG2 ILE A 79 4.351 -0.307 -1.681 1.00 0.00 C ATOM 1156 CD1 ILE A 79 3.146 2.664 -1.295 1.00 0.00 C ATOM 0 H ILE A 79 4.126 2.031 -5.022 1.00 0.00 H new ATOM 0 HA ILE A 79 6.187 0.644 -3.467 1.00 0.00 H new ATOM 0 HB ILE A 79 3.164 0.757 -3.097 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.209 2.120 -1.347 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.634 2.905 -2.805 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.641 -0.168 -0.865 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.169 -1.269 -2.160 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.367 -0.285 -1.286 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.355 3.638 -0.853 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.309 2.752 -1.988 1.00 0.00 H new ATOM 0 HD13 ILE A 79 2.892 1.955 -0.507 1.00 0.00 H new ATOM 1168 N SER A 80 5.682 -1.719 -4.163 1.00 0.00 N ATOM 1169 CA SER A 80 5.535 -3.051 -4.737 1.00 0.00 C ATOM 1170 C SER A 80 5.652 -4.124 -3.658 1.00 0.00 C ATOM 1171 O SER A 80 6.460 -4.007 -2.737 1.00 0.00 O ATOM 1172 CB SER A 80 6.591 -3.283 -5.820 1.00 0.00 C ATOM 1173 OG SER A 80 6.403 -2.401 -6.912 1.00 0.00 O ATOM 0 H SER A 80 6.417 -1.642 -3.460 1.00 0.00 H new ATOM 0 HA SER A 80 4.544 -3.118 -5.186 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.586 -3.139 -5.399 1.00 0.00 H new ATOM 0 HB3 SER A 80 6.539 -4.315 -6.168 1.00 0.00 H new ATOM 0 HG SER A 80 7.091 -2.568 -7.590 1.00 0.00 H new ATOM 1179 N TYR A 81 4.840 -5.168 -3.781 1.00 0.00 N ATOM 1180 CA TYR A 81 4.850 -6.261 -2.816 1.00 0.00 C ATOM 1181 C TYR A 81 4.586 -7.597 -3.503 1.00 0.00 C ATOM 1182 O TYR A 81 3.856 -7.667 -4.492 1.00 0.00 O ATOM 1183 CB TYR A 81 3.802 -6.018 -1.728 1.00 0.00 C ATOM 1184 CG TYR A 81 2.378 -6.104 -2.230 1.00 0.00 C ATOM 1185 CD1 TYR A 81 1.742 -4.992 -2.768 1.00 0.00 C ATOM 1186 CD2 TYR A 81 1.668 -7.297 -2.166 1.00 0.00 C ATOM 1187 CE1 TYR A 81 0.441 -5.065 -3.227 1.00 0.00 C ATOM 1188 CE2 TYR A 81 0.368 -7.380 -2.623 1.00 0.00 C ATOM 1189 CZ TYR A 81 -0.242 -6.262 -3.153 1.00 0.00 C ATOM 1190 OH TYR A 81 -1.537 -6.339 -3.610 1.00 0.00 O ATOM 0 H TYR A 81 4.167 -5.280 -4.539 1.00 0.00 H new ATOM 0 HA TYR A 81 5.838 -6.298 -2.358 1.00 0.00 H new ATOM 0 HB2 TYR A 81 3.942 -6.748 -0.931 1.00 0.00 H new ATOM 0 HB3 TYR A 81 3.966 -5.033 -1.291 1.00 0.00 H new ATOM 0 HD1 TYR A 81 2.274 -4.054 -2.828 1.00 0.00 H new ATOM 0 HD2 TYR A 81 2.142 -8.175 -1.751 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -0.039 -4.191 -3.641 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -0.169 -8.315 -2.566 1.00 0.00 H new ATOM 0 HH TYR A 81 -1.564 -6.877 -4.429 1.00 0.00 H new ATOM 1200 N THR A 82 5.185 -8.658 -2.971 1.00 0.00 N ATOM 1201 CA THR A 82 5.017 -9.992 -3.532 1.00 0.00 C ATOM 1202 C THR A 82 4.762 -11.021 -2.436 1.00 0.00 C ATOM 1203 O THR A 82 5.675 -11.455 -1.734 1.00 0.00 O ATOM 1204 CB THR A 82 6.254 -10.421 -4.344 1.00 0.00 C ATOM 1205 OG1 THR A 82 6.511 -9.470 -5.383 1.00 0.00 O ATOM 1206 CG2 THR A 82 6.052 -11.801 -4.950 1.00 0.00 C ATOM 0 H THR A 82 5.791 -8.619 -2.152 1.00 0.00 H new ATOM 0 HA THR A 82 4.153 -9.949 -4.195 1.00 0.00 H new ATOM 0 HB THR A 82 7.109 -10.461 -3.669 1.00 0.00 H new ATOM 0 HG1 THR A 82 7.300 -9.749 -5.894 1.00 0.00 H new ATOM 0 HG21 THR A 82 6.939 -12.082 -5.519 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.886 -12.527 -4.154 1.00 0.00 H new ATOM 0 HG23 THR A 82 5.186 -11.784 -5.612 1.00 0.00 H new ATOM 1214 N PRO A 83 3.490 -11.421 -2.284 1.00 0.00 N ATOM 1215 CA PRO A 83 3.086 -12.405 -1.276 1.00 0.00 C ATOM 1216 C PRO A 83 3.592 -13.807 -1.597 1.00 0.00 C ATOM 1217 O PRO A 83 3.878 -14.125 -2.752 1.00 0.00 O ATOM 1218 CB PRO A 83 1.556 -12.363 -1.332 1.00 0.00 C ATOM 1219 CG PRO A 83 1.242 -11.888 -2.709 1.00 0.00 C ATOM 1220 CD PRO A 83 2.351 -10.945 -3.086 1.00 0.00 C ATOM 0 HA PRO A 83 3.497 -12.173 -0.294 1.00 0.00 H new ATOM 0 HB2 PRO A 83 1.126 -13.347 -1.144 1.00 0.00 H new ATOM 0 HB3 PRO A 83 1.150 -11.688 -0.578 1.00 0.00 H new ATOM 0 HG2 PRO A 83 1.187 -12.724 -3.407 1.00 0.00 H new ATOM 0 HG3 PRO A 83 0.276 -11.385 -2.737 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.567 -10.985 -4.154 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.097 -9.911 -2.850 1.00 0.00 H new ATOM 1228 N LYS A 84 3.700 -14.642 -0.570 1.00 0.00 N ATOM 1229 CA LYS A 84 4.170 -16.012 -0.742 1.00 0.00 C ATOM 1230 C LYS A 84 3.012 -17.000 -0.649 1.00 0.00 C ATOM 1231 O LYS A 84 2.927 -17.945 -1.433 1.00 0.00 O ATOM 1232 CB LYS A 84 5.227 -16.347 0.313 1.00 0.00 C ATOM 1233 CG LYS A 84 6.577 -15.703 0.048 1.00 0.00 C ATOM 1234 CD LYS A 84 6.613 -14.264 0.533 1.00 0.00 C ATOM 1235 CE LYS A 84 7.703 -13.467 -0.167 1.00 0.00 C ATOM 1236 NZ LYS A 84 7.618 -12.014 0.150 1.00 0.00 N ATOM 0 H LYS A 84 3.468 -14.394 0.392 1.00 0.00 H new ATOM 0 HA LYS A 84 4.616 -16.095 -1.733 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.867 -16.027 1.291 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.353 -17.429 0.358 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.359 -16.276 0.547 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.792 -15.733 -1.020 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.646 -13.794 0.354 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.782 -14.246 1.610 1.00 0.00 H new ATOM 0 HE2 LYS A 84 8.680 -13.847 0.132 1.00 0.00 H new ATOM 0 HE3 LYS A 84 7.622 -13.609 -1.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 8.444 -11.523 -0.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 6.749 -11.619 -0.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 7.602 -11.884 1.182 1.00 0.00 H new ATOM 1250 N GLU A 85 2.123 -16.775 0.313 1.00 0.00 N ATOM 1251 CA GLU A 85 0.970 -17.646 0.507 1.00 0.00 C ATOM 1252 C GLU A 85 -0.333 -16.864 0.368 1.00 0.00 C ATOM 1253 O GLU A 85 -0.393 -15.660 0.620 1.00 0.00 O ATOM 1254 CB GLU A 85 1.033 -18.315 1.881 1.00 0.00 C ATOM 1255 CG GLU A 85 2.229 -19.236 2.056 1.00 0.00 C ATOM 1256 CD GLU A 85 2.039 -20.575 1.370 1.00 0.00 C ATOM 1257 OE1 GLU A 85 0.916 -21.118 1.428 1.00 0.00 O ATOM 1258 OE2 GLU A 85 3.014 -21.078 0.773 1.00 0.00 O ATOM 0 H GLU A 85 2.179 -15.997 0.970 1.00 0.00 H new ATOM 0 HA GLU A 85 0.995 -18.416 -0.265 1.00 0.00 H new ATOM 0 HB2 GLU A 85 1.064 -17.543 2.650 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.119 -18.887 2.040 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.119 -18.750 1.656 1.00 0.00 H new ATOM 0 HG3 GLU A 85 2.405 -19.398 3.119 1.00 0.00 H new ATOM 1265 N PRO A 86 -1.401 -17.563 -0.042 1.00 0.00 N ATOM 1266 CA PRO A 86 -2.723 -16.955 -0.224 1.00 0.00 C ATOM 1267 C PRO A 86 -3.367 -16.562 1.101 1.00 0.00 C ATOM 1268 O PRO A 86 -2.832 -16.847 2.171 1.00 0.00 O ATOM 1269 CB PRO A 86 -3.532 -18.062 -0.904 1.00 0.00 C ATOM 1270 CG PRO A 86 -2.864 -19.328 -0.492 1.00 0.00 C ATOM 1271 CD PRO A 86 -1.402 -19.000 -0.361 1.00 0.00 C ATOM 0 HA PRO A 86 -2.671 -16.031 -0.800 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -4.574 -18.043 -0.586 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -3.527 -17.947 -1.988 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -3.268 -19.693 0.452 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -3.023 -20.112 -1.232 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -0.928 -19.586 0.426 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -0.860 -19.207 -1.284 1.00 0.00 H new ATOM 1279 N GLY A 87 -4.520 -15.905 1.022 1.00 0.00 N ATOM 1280 CA GLY A 87 -5.218 -15.483 2.222 1.00 0.00 C ATOM 1281 C GLY A 87 -5.436 -13.984 2.271 1.00 0.00 C ATOM 1282 O GLY A 87 -5.105 -13.271 1.323 1.00 0.00 O ATOM 0 H GLY A 87 -4.983 -15.657 0.148 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -6.182 -15.989 2.274 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -4.648 -15.793 3.098 1.00 0.00 H new ATOM 1286 N VAL A 88 -5.995 -13.504 3.377 1.00 0.00 N ATOM 1287 CA VAL A 88 -6.257 -12.080 3.545 1.00 0.00 C ATOM 1288 C VAL A 88 -5.071 -11.376 4.194 1.00 0.00 C ATOM 1289 O VAL A 88 -4.461 -11.896 5.128 1.00 0.00 O ATOM 1290 CB VAL A 88 -7.514 -11.838 4.401 1.00 0.00 C ATOM 1291 CG1 VAL A 88 -7.311 -12.371 5.811 1.00 0.00 C ATOM 1292 CG2 VAL A 88 -7.864 -10.357 4.427 1.00 0.00 C ATOM 0 H VAL A 88 -6.275 -14.081 4.170 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.420 -11.668 2.549 1.00 0.00 H new ATOM 0 HB VAL A 88 -8.348 -12.377 3.951 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -8.210 -12.191 6.401 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.112 -13.442 5.770 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.465 -11.863 6.274 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -8.755 -10.204 5.036 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.033 -9.794 4.852 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -8.055 -10.010 3.411 1.00 0.00 H new ATOM 1302 N TYR A 89 -4.748 -10.188 3.692 1.00 0.00 N ATOM 1303 CA TYR A 89 -3.633 -9.413 4.222 1.00 0.00 C ATOM 1304 C TYR A 89 -4.077 -7.999 4.585 1.00 0.00 C ATOM 1305 O TYR A 89 -5.148 -7.547 4.180 1.00 0.00 O ATOM 1306 CB TYR A 89 -2.495 -9.355 3.201 1.00 0.00 C ATOM 1307 CG TYR A 89 -1.770 -10.671 3.029 1.00 0.00 C ATOM 1308 CD1 TYR A 89 -2.438 -11.801 2.575 1.00 0.00 C ATOM 1309 CD2 TYR A 89 -0.415 -10.783 3.318 1.00 0.00 C ATOM 1310 CE1 TYR A 89 -1.780 -13.005 2.417 1.00 0.00 C ATOM 1311 CE2 TYR A 89 0.252 -11.983 3.161 1.00 0.00 C ATOM 1312 CZ TYR A 89 -0.435 -13.091 2.710 1.00 0.00 C ATOM 1313 OH TYR A 89 0.225 -14.288 2.553 1.00 0.00 O ATOM 0 H TYR A 89 -5.243 -9.742 2.919 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.277 -9.907 5.126 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.898 -9.043 2.237 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -1.779 -8.593 3.509 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.490 -11.737 2.341 1.00 0.00 H new ATOM 0 HD2 TYR A 89 0.126 -9.917 3.671 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -2.316 -13.875 2.066 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.305 -12.053 3.390 1.00 0.00 H new ATOM 0 HH TYR A 89 -0.294 -14.872 1.962 1.00 0.00 H new ATOM 1323 N THR A 90 -3.244 -7.303 5.353 1.00 0.00 N ATOM 1324 CA THR A 90 -3.548 -5.941 5.773 1.00 0.00 C ATOM 1325 C THR A 90 -2.430 -4.982 5.380 1.00 0.00 C ATOM 1326 O THR A 90 -1.404 -4.898 6.055 1.00 0.00 O ATOM 1327 CB THR A 90 -3.769 -5.858 7.295 1.00 0.00 C ATOM 1328 OG1 THR A 90 -4.390 -7.060 7.766 1.00 0.00 O ATOM 1329 CG2 THR A 90 -4.635 -4.660 7.652 1.00 0.00 C ATOM 0 H THR A 90 -2.353 -7.661 5.697 1.00 0.00 H new ATOM 0 HA THR A 90 -4.467 -5.651 5.264 1.00 0.00 H new ATOM 0 HB THR A 90 -2.798 -5.739 7.775 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.526 -7.000 8.735 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.777 -4.623 8.732 1.00 0.00 H new ATOM 0 HG22 THR A 90 -4.146 -3.745 7.318 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.604 -4.753 7.162 1.00 0.00 H new ATOM 1337 N VAL A 91 -2.636 -4.258 4.284 1.00 0.00 N ATOM 1338 CA VAL A 91 -1.645 -3.302 3.802 1.00 0.00 C ATOM 1339 C VAL A 91 -1.602 -2.063 4.688 1.00 0.00 C ATOM 1340 O VAL A 91 -2.509 -1.231 4.655 1.00 0.00 O ATOM 1341 CB VAL A 91 -1.938 -2.873 2.352 1.00 0.00 C ATOM 1342 CG1 VAL A 91 -0.996 -1.759 1.924 1.00 0.00 C ATOM 1343 CG2 VAL A 91 -1.830 -4.065 1.412 1.00 0.00 C ATOM 0 H VAL A 91 -3.480 -4.315 3.713 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.678 -3.804 3.836 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.958 -2.492 2.303 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.218 -1.469 0.897 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.128 -0.899 2.580 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.034 -2.109 1.987 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.040 -3.744 0.392 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -0.823 -4.478 1.462 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -2.550 -4.828 1.708 1.00 0.00 H new ATOM 1353 N TRP A 92 -0.542 -1.945 5.480 1.00 0.00 N ATOM 1354 CA TRP A 92 -0.379 -0.806 6.376 1.00 0.00 C ATOM 1355 C TRP A 92 0.287 0.362 5.656 1.00 0.00 C ATOM 1356 O TRP A 92 1.434 0.263 5.221 1.00 0.00 O ATOM 1357 CB TRP A 92 0.449 -1.206 7.598 1.00 0.00 C ATOM 1358 CG TRP A 92 -0.367 -1.833 8.688 1.00 0.00 C ATOM 1359 CD1 TRP A 92 -1.332 -2.789 8.543 1.00 0.00 C ATOM 1360 CD2 TRP A 92 -0.290 -1.547 10.089 1.00 0.00 C ATOM 1361 NE1 TRP A 92 -1.859 -3.114 9.770 1.00 0.00 N ATOM 1362 CE2 TRP A 92 -1.236 -2.367 10.734 1.00 0.00 C ATOM 1363 CE3 TRP A 92 0.487 -0.679 10.861 1.00 0.00 C ATOM 1364 CZ2 TRP A 92 -1.425 -2.342 12.114 1.00 0.00 C ATOM 1365 CZ3 TRP A 92 0.299 -0.656 12.230 1.00 0.00 C ATOM 1366 CH2 TRP A 92 -0.650 -1.483 12.845 1.00 0.00 C ATOM 0 H TRP A 92 0.218 -2.625 5.520 1.00 0.00 H new ATOM 0 HA TRP A 92 -1.369 -0.490 6.704 1.00 0.00 H new ATOM 0 HB2 TRP A 92 1.227 -1.904 7.288 1.00 0.00 H new ATOM 0 HB3 TRP A 92 0.952 -0.323 7.992 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -1.636 -3.225 7.603 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -2.595 -3.800 9.936 1.00 0.00 H new ATOM 0 HE3 TRP A 92 1.221 -0.038 10.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -2.157 -2.978 12.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 0.894 0.011 12.836 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -0.772 -1.442 13.917 1.00 0.00 H new ATOM 1377 N VAL A 93 -0.440 1.468 5.534 1.00 0.00 N ATOM 1378 CA VAL A 93 0.081 2.655 4.867 1.00 0.00 C ATOM 1379 C VAL A 93 -0.198 3.912 5.685 1.00 0.00 C ATOM 1380 O VAL A 93 -1.330 4.394 5.734 1.00 0.00 O ATOM 1381 CB VAL A 93 -0.529 2.824 3.463 1.00 0.00 C ATOM 1382 CG1 VAL A 93 -0.333 4.248 2.964 1.00 0.00 C ATOM 1383 CG2 VAL A 93 0.080 1.822 2.494 1.00 0.00 C ATOM 0 H VAL A 93 -1.391 1.567 5.888 1.00 0.00 H new ATOM 0 HA VAL A 93 1.158 2.517 4.773 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.600 2.630 3.525 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -0.770 4.349 1.971 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.820 4.943 3.647 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.732 4.473 2.916 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.362 1.955 1.507 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.157 1.982 2.434 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.117 0.809 2.846 1.00 0.00 H new ATOM 1393 N CYS A 94 0.840 4.437 6.325 1.00 0.00 N ATOM 1394 CA CYS A 94 0.707 5.638 7.142 1.00 0.00 C ATOM 1395 C CYS A 94 1.895 6.572 6.933 1.00 0.00 C ATOM 1396 O CYS A 94 3.034 6.123 6.802 1.00 0.00 O ATOM 1397 CB CYS A 94 0.591 5.264 8.621 1.00 0.00 C ATOM 1398 SG CYS A 94 -0.710 4.060 8.978 1.00 0.00 S ATOM 0 H CYS A 94 1.783 4.050 6.294 1.00 0.00 H new ATOM 0 HA CYS A 94 -0.200 6.158 6.834 1.00 0.00 H new ATOM 0 HB2 CYS A 94 1.546 4.862 8.959 1.00 0.00 H new ATOM 0 HB3 CYS A 94 0.403 6.168 9.200 1.00 0.00 H new ATOM 0 HG CYS A 94 -0.728 3.806 10.253 1.00 0.00 H new ATOM 1404 N ILE A 95 1.620 7.871 6.901 1.00 0.00 N ATOM 1405 CA ILE A 95 2.666 8.868 6.707 1.00 0.00 C ATOM 1406 C ILE A 95 2.799 9.770 7.930 1.00 0.00 C ATOM 1407 O ILE A 95 1.806 10.271 8.457 1.00 0.00 O ATOM 1408 CB ILE A 95 2.390 9.740 5.468 1.00 0.00 C ATOM 1409 CG1 ILE A 95 2.285 8.866 4.216 1.00 0.00 C ATOM 1410 CG2 ILE A 95 3.483 10.784 5.301 1.00 0.00 C ATOM 1411 CD1 ILE A 95 1.599 9.553 3.056 1.00 0.00 C ATOM 0 H ILE A 95 0.682 8.258 7.007 1.00 0.00 H new ATOM 0 HA ILE A 95 3.598 8.323 6.557 1.00 0.00 H new ATOM 0 HB ILE A 95 1.440 10.256 5.609 1.00 0.00 H new ATOM 0 HG12 ILE A 95 3.286 8.564 3.908 1.00 0.00 H new ATOM 0 HG13 ILE A 95 1.739 7.955 4.463 1.00 0.00 H new ATOM 0 HG21 ILE A 95 3.274 11.392 4.421 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.515 11.422 6.184 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.445 10.287 5.178 1.00 0.00 H new ATOM 0 HD11 ILE A 95 1.560 8.875 2.203 1.00 0.00 H new ATOM 0 HD12 ILE A 95 0.586 9.831 3.345 1.00 0.00 H new ATOM 0 HD13 ILE A 95 2.157 10.449 2.782 1.00 0.00 H new ATOM 1423 N LYS A 96 4.034 9.975 8.375 1.00 0.00 N ATOM 1424 CA LYS A 96 4.300 10.819 9.534 1.00 0.00 C ATOM 1425 C LYS A 96 3.515 10.337 10.750 1.00 0.00 C ATOM 1426 O LYS A 96 2.956 11.140 11.495 1.00 0.00 O ATOM 1427 CB LYS A 96 3.939 12.273 9.224 1.00 0.00 C ATOM 1428 CG LYS A 96 4.779 12.886 8.117 1.00 0.00 C ATOM 1429 CD LYS A 96 4.395 14.334 7.862 1.00 0.00 C ATOM 1430 CE LYS A 96 3.129 14.436 7.026 1.00 0.00 C ATOM 1431 NZ LYS A 96 1.905 14.451 7.874 1.00 0.00 N ATOM 0 H LYS A 96 4.867 9.568 7.950 1.00 0.00 H new ATOM 0 HA LYS A 96 5.364 10.756 9.762 1.00 0.00 H new ATOM 0 HB2 LYS A 96 2.887 12.325 8.942 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.056 12.868 10.129 1.00 0.00 H new ATOM 0 HG2 LYS A 96 5.834 12.830 8.386 1.00 0.00 H new ATOM 0 HG3 LYS A 96 4.653 12.309 7.201 1.00 0.00 H new ATOM 0 HD2 LYS A 96 4.246 14.845 8.813 1.00 0.00 H new ATOM 0 HD3 LYS A 96 5.212 14.844 7.351 1.00 0.00 H new ATOM 0 HE2 LYS A 96 3.164 15.343 6.423 1.00 0.00 H new ATOM 0 HE3 LYS A 96 3.082 13.595 6.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 1.368 13.573 7.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 2.177 14.525 8.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 1.313 15.266 7.615 1.00 0.00 H new ATOM 1445 N GLU A 97 3.481 9.022 10.943 1.00 0.00 N ATOM 1446 CA GLU A 97 2.765 8.435 12.070 1.00 0.00 C ATOM 1447 C GLU A 97 1.278 8.770 12.003 1.00 0.00 C ATOM 1448 O GLU A 97 0.669 9.140 13.007 1.00 0.00 O ATOM 1449 CB GLU A 97 3.352 8.934 13.392 1.00 0.00 C ATOM 1450 CG GLU A 97 4.778 8.468 13.638 1.00 0.00 C ATOM 1451 CD GLU A 97 5.455 9.232 14.760 1.00 0.00 C ATOM 1452 OE1 GLU A 97 5.291 10.468 14.821 1.00 0.00 O ATOM 1453 OE2 GLU A 97 6.149 8.591 15.577 1.00 0.00 O ATOM 0 H GLU A 97 3.940 8.344 10.335 1.00 0.00 H new ATOM 0 HA GLU A 97 2.879 7.352 12.016 1.00 0.00 H new ATOM 0 HB2 GLU A 97 3.328 10.024 13.403 1.00 0.00 H new ATOM 0 HB3 GLU A 97 2.720 8.593 14.212 1.00 0.00 H new ATOM 0 HG2 GLU A 97 4.773 7.405 13.879 1.00 0.00 H new ATOM 0 HG3 GLU A 97 5.358 8.585 12.722 1.00 0.00 H new ATOM 1460 N GLN A 98 0.700 8.638 10.813 1.00 0.00 N ATOM 1461 CA GLN A 98 -0.715 8.928 10.615 1.00 0.00 C ATOM 1462 C GLN A 98 -1.294 8.073 9.493 1.00 0.00 C ATOM 1463 O GLN A 98 -0.709 7.967 8.414 1.00 0.00 O ATOM 1464 CB GLN A 98 -0.914 10.411 10.298 1.00 0.00 C ATOM 1465 CG GLN A 98 -0.776 11.316 11.511 1.00 0.00 C ATOM 1466 CD GLN A 98 -1.086 12.766 11.195 1.00 0.00 C ATOM 1467 OE1 GLN A 98 -2.142 13.282 11.565 1.00 0.00 O ATOM 1468 NE2 GLN A 98 -0.166 13.433 10.509 1.00 0.00 N ATOM 0 H GLN A 98 1.190 8.332 9.972 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.242 8.688 11.538 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -0.187 10.714 9.545 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -1.903 10.551 9.861 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -1.446 10.968 12.297 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.239 11.242 11.901 1.00 0.00 H new ATOM 0 HE21 GLN A 98 0.695 12.966 10.223 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -0.320 14.412 10.268 1.00 0.00 H new ATOM 1477 N HIS A 99 -2.447 7.464 9.753 1.00 0.00 N ATOM 1478 CA HIS A 99 -3.105 6.619 8.763 1.00 0.00 C ATOM 1479 C HIS A 99 -3.735 7.463 7.660 1.00 0.00 C ATOM 1480 O HIS A 99 -4.383 8.474 7.931 1.00 0.00 O ATOM 1481 CB HIS A 99 -4.174 5.753 9.432 1.00 0.00 C ATOM 1482 CG HIS A 99 -4.862 6.429 10.578 1.00 0.00 C ATOM 1483 ND1 HIS A 99 -5.338 5.747 11.677 1.00 0.00 N ATOM 1484 CD2 HIS A 99 -5.151 7.733 10.791 1.00 0.00 C ATOM 1485 CE1 HIS A 99 -5.892 6.603 12.517 1.00 0.00 C ATOM 1486 NE2 HIS A 99 -5.791 7.815 12.003 1.00 0.00 N ATOM 0 H HIS A 99 -2.944 7.540 10.640 1.00 0.00 H new ATOM 0 HA HIS A 99 -2.351 5.972 8.315 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -4.919 5.470 8.688 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -3.713 4.832 9.788 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -4.921 8.556 10.131 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -6.350 6.354 13.463 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -6.133 8.673 12.436 1.00 0.00 H new ATOM 1495 N VAL A 100 -3.539 7.042 6.414 1.00 0.00 N ATOM 1496 CA VAL A 100 -4.087 7.759 5.269 1.00 0.00 C ATOM 1497 C VAL A 100 -5.513 7.309 4.970 1.00 0.00 C ATOM 1498 O VAL A 100 -6.028 6.387 5.603 1.00 0.00 O ATOM 1499 CB VAL A 100 -3.222 7.555 4.012 1.00 0.00 C ATOM 1500 CG1 VAL A 100 -1.794 8.014 4.266 1.00 0.00 C ATOM 1501 CG2 VAL A 100 -3.253 6.099 3.575 1.00 0.00 C ATOM 0 H VAL A 100 -3.004 6.208 6.172 1.00 0.00 H new ATOM 0 HA VAL A 100 -4.090 8.817 5.531 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.635 8.161 3.206 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.198 7.862 3.366 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -1.793 9.072 4.528 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -1.367 7.437 5.086 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -2.636 5.973 2.685 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -2.866 5.470 4.377 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -4.279 5.809 3.349 1.00 0.00 H new ATOM 1511 N GLN A 101 -6.144 7.965 4.002 1.00 0.00 N ATOM 1512 CA GLN A 101 -7.511 7.631 3.619 1.00 0.00 C ATOM 1513 C GLN A 101 -7.609 6.180 3.158 1.00 0.00 C ATOM 1514 O GLN A 101 -6.694 5.658 2.522 1.00 0.00 O ATOM 1515 CB GLN A 101 -7.995 8.565 2.509 1.00 0.00 C ATOM 1516 CG GLN A 101 -9.370 8.207 1.969 1.00 0.00 C ATOM 1517 CD GLN A 101 -9.565 8.647 0.531 1.00 0.00 C ATOM 1518 OE1 GLN A 101 -8.782 8.291 -0.351 1.00 0.00 O ATOM 1519 NE2 GLN A 101 -10.612 9.426 0.287 1.00 0.00 N ATOM 0 H GLN A 101 -5.731 8.730 3.469 1.00 0.00 H new ATOM 0 HA GLN A 101 -8.148 7.758 4.495 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -8.018 9.586 2.889 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -7.276 8.546 1.690 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -9.514 7.129 2.038 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -10.134 8.671 2.594 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -11.235 9.696 1.048 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -10.794 9.754 -0.662 1.00 0.00 H new ATOM 1528 N GLY A 102 -8.724 5.534 3.484 1.00 0.00 N ATOM 1529 CA GLY A 102 -8.920 4.150 3.096 1.00 0.00 C ATOM 1530 C GLY A 102 -7.722 3.281 3.423 1.00 0.00 C ATOM 1531 O GLY A 102 -7.299 2.463 2.607 1.00 0.00 O ATOM 0 H GLY A 102 -9.495 5.945 4.010 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -9.801 3.755 3.603 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -9.119 4.101 2.026 1.00 0.00 H new ATOM 1535 N SER A 103 -7.173 3.459 4.620 1.00 0.00 N ATOM 1536 CA SER A 103 -6.013 2.688 5.052 1.00 0.00 C ATOM 1537 C SER A 103 -5.868 2.727 6.570 1.00 0.00 C ATOM 1538 O SER A 103 -6.184 3.721 7.224 1.00 0.00 O ATOM 1539 CB SER A 103 -4.742 3.228 4.393 1.00 0.00 C ATOM 1540 OG SER A 103 -3.582 2.717 5.027 1.00 0.00 O ATOM 0 H SER A 103 -7.513 4.131 5.308 1.00 0.00 H new ATOM 0 HA SER A 103 -6.162 1.653 4.746 1.00 0.00 H new ATOM 0 HB2 SER A 103 -4.733 2.957 3.337 1.00 0.00 H new ATOM 0 HB3 SER A 103 -4.737 4.317 4.442 1.00 0.00 H new ATOM 0 HG SER A 103 -2.937 3.442 5.162 1.00 0.00 H new ATOM 1546 N PRO A 104 -5.378 1.619 7.145 1.00 0.00 N ATOM 1547 CA PRO A 104 -4.999 0.430 6.377 1.00 0.00 C ATOM 1548 C PRO A 104 -6.208 -0.291 5.791 1.00 0.00 C ATOM 1549 O PRO A 104 -7.336 -0.106 6.248 1.00 0.00 O ATOM 1550 CB PRO A 104 -4.301 -0.454 7.414 1.00 0.00 C ATOM 1551 CG PRO A 104 -4.873 -0.029 8.722 1.00 0.00 C ATOM 1552 CD PRO A 104 -5.158 1.442 8.591 1.00 0.00 C ATOM 0 HA PRO A 104 -4.374 0.681 5.520 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -4.490 -1.511 7.224 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -3.220 -0.314 7.390 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -5.783 -0.584 8.949 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.172 -0.220 9.535 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -6.034 1.735 9.170 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.324 2.046 8.948 1.00 0.00 H new ATOM 1560 N PHE A 105 -5.965 -1.115 4.776 1.00 0.00 N ATOM 1561 CA PHE A 105 -7.034 -1.863 4.126 1.00 0.00 C ATOM 1562 C PHE A 105 -6.663 -3.337 3.993 1.00 0.00 C ATOM 1563 O PHE A 105 -5.493 -3.707 4.097 1.00 0.00 O ATOM 1564 CB PHE A 105 -7.333 -1.274 2.746 1.00 0.00 C ATOM 1565 CG PHE A 105 -6.161 -1.322 1.808 1.00 0.00 C ATOM 1566 CD1 PHE A 105 -5.869 -2.479 1.103 1.00 0.00 C ATOM 1567 CD2 PHE A 105 -5.353 -0.211 1.630 1.00 0.00 C ATOM 1568 CE1 PHE A 105 -4.791 -2.526 0.238 1.00 0.00 C ATOM 1569 CE2 PHE A 105 -4.275 -0.253 0.767 1.00 0.00 C ATOM 1570 CZ PHE A 105 -3.993 -1.412 0.071 1.00 0.00 C ATOM 0 H PHE A 105 -5.037 -1.281 4.387 1.00 0.00 H new ATOM 0 HA PHE A 105 -7.927 -1.785 4.747 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -8.167 -1.817 2.301 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -7.653 -0.238 2.863 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -6.490 -3.353 1.231 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -5.568 0.698 2.172 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -4.574 -3.433 -0.306 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -3.653 0.620 0.637 1.00 0.00 H new ATOM 0 HZ PHE A 105 -3.150 -1.447 -0.603 1.00 0.00 H new ATOM 1580 N THR A 106 -7.668 -4.176 3.761 1.00 0.00 N ATOM 1581 CA THR A 106 -7.449 -5.610 3.615 1.00 0.00 C ATOM 1582 C THR A 106 -7.210 -5.983 2.156 1.00 0.00 C ATOM 1583 O THR A 106 -7.625 -5.267 1.245 1.00 0.00 O ATOM 1584 CB THR A 106 -8.645 -6.418 4.151 1.00 0.00 C ATOM 1585 OG1 THR A 106 -9.857 -5.676 3.974 1.00 0.00 O ATOM 1586 CG2 THR A 106 -8.457 -6.750 5.624 1.00 0.00 C ATOM 0 H THR A 106 -8.642 -3.887 3.670 1.00 0.00 H new ATOM 0 HA THR A 106 -6.563 -5.856 4.200 1.00 0.00 H new ATOM 0 HB THR A 106 -8.706 -7.350 3.590 1.00 0.00 H new ATOM 0 HG1 THR A 106 -10.613 -6.198 4.316 1.00 0.00 H new ATOM 0 HG21 THR A 106 -9.314 -7.321 5.981 1.00 0.00 H new ATOM 0 HG22 THR A 106 -7.550 -7.340 5.751 1.00 0.00 H new ATOM 0 HG23 THR A 106 -8.372 -5.827 6.197 1.00 0.00 H new ATOM 1594 N VAL A 107 -6.539 -7.111 1.941 1.00 0.00 N ATOM 1595 CA VAL A 107 -6.247 -7.581 0.592 1.00 0.00 C ATOM 1596 C VAL A 107 -6.528 -9.073 0.457 1.00 0.00 C ATOM 1597 O VAL A 107 -6.115 -9.873 1.298 1.00 0.00 O ATOM 1598 CB VAL A 107 -4.780 -7.309 0.209 1.00 0.00 C ATOM 1599 CG1 VAL A 107 -4.458 -7.929 -1.142 1.00 0.00 C ATOM 1600 CG2 VAL A 107 -4.501 -5.814 0.198 1.00 0.00 C ATOM 0 H VAL A 107 -6.188 -7.716 2.684 1.00 0.00 H new ATOM 0 HA VAL A 107 -6.900 -7.029 -0.084 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.135 -7.770 0.957 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.418 -7.727 -1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -4.617 -9.006 -1.095 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -5.108 -7.499 -1.904 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -3.460 -5.640 -0.075 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.152 -5.328 -0.528 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.690 -5.401 1.189 1.00 0.00 H new ATOM 1610 N THR A 108 -7.234 -9.443 -0.607 1.00 0.00 N ATOM 1611 CA THR A 108 -7.572 -10.839 -0.852 1.00 0.00 C ATOM 1612 C THR A 108 -6.567 -11.490 -1.796 1.00 0.00 C ATOM 1613 O THR A 108 -6.535 -11.187 -2.989 1.00 0.00 O ATOM 1614 CB THR A 108 -8.985 -10.979 -1.449 1.00 0.00 C ATOM 1615 OG1 THR A 108 -9.952 -10.419 -0.554 1.00 0.00 O ATOM 1616 CG2 THR A 108 -9.318 -12.440 -1.714 1.00 0.00 C ATOM 0 H THR A 108 -7.583 -8.795 -1.313 1.00 0.00 H new ATOM 0 HA THR A 108 -7.542 -11.345 0.113 1.00 0.00 H new ATOM 0 HB THR A 108 -9.011 -10.439 -2.396 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.848 -10.510 -0.941 1.00 0.00 H new ATOM 0 HG21 THR A 108 -10.321 -12.514 -2.135 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.597 -12.856 -2.418 1.00 0.00 H new ATOM 0 HG23 THR A 108 -9.275 -12.998 -0.779 1.00 0.00 H new ATOM 1624 N VAL A 109 -5.748 -12.386 -1.256 1.00 0.00 N ATOM 1625 CA VAL A 109 -4.743 -13.082 -2.051 1.00 0.00 C ATOM 1626 C VAL A 109 -5.262 -14.431 -2.534 1.00 0.00 C ATOM 1627 O VAL A 109 -5.960 -15.136 -1.805 1.00 0.00 O ATOM 1628 CB VAL A 109 -3.446 -13.299 -1.250 1.00 0.00 C ATOM 1629 CG1 VAL A 109 -2.405 -14.011 -2.101 1.00 0.00 C ATOM 1630 CG2 VAL A 109 -2.909 -11.972 -0.735 1.00 0.00 C ATOM 0 H VAL A 109 -5.760 -12.648 -0.270 1.00 0.00 H new ATOM 0 HA VAL A 109 -4.527 -12.450 -2.913 1.00 0.00 H new ATOM 0 HB VAL A 109 -3.672 -13.931 -0.391 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -1.495 -14.155 -1.518 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -2.793 -14.980 -2.415 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -2.180 -13.408 -2.981 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -1.992 -12.145 -0.171 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -2.698 -11.313 -1.577 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -3.651 -11.506 -0.087 1.00 0.00 H new ATOM 1640 N ARG A 110 -4.915 -14.785 -3.767 1.00 0.00 N ATOM 1641 CA ARG A 110 -5.346 -16.051 -4.348 1.00 0.00 C ATOM 1642 C ARG A 110 -4.159 -16.986 -4.556 1.00 0.00 C ATOM 1643 O ARG A 110 -3.011 -16.611 -4.317 1.00 0.00 O ATOM 1644 CB ARG A 110 -6.058 -15.809 -5.680 1.00 0.00 C ATOM 1645 CG ARG A 110 -7.259 -14.883 -5.570 1.00 0.00 C ATOM 1646 CD ARG A 110 -8.536 -15.659 -5.289 1.00 0.00 C ATOM 1647 NE ARG A 110 -9.030 -16.349 -6.478 1.00 0.00 N ATOM 1648 CZ ARG A 110 -9.906 -17.347 -6.438 1.00 0.00 C ATOM 1649 NH1 ARG A 110 -10.381 -17.770 -5.274 1.00 0.00 N ATOM 1650 NH2 ARG A 110 -10.308 -17.924 -7.563 1.00 0.00 N ATOM 0 H ARG A 110 -4.337 -14.213 -4.383 1.00 0.00 H new ATOM 0 HA ARG A 110 -6.041 -16.523 -3.653 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -5.348 -15.386 -6.390 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -6.384 -16.766 -6.087 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -7.089 -14.158 -4.774 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -7.371 -14.319 -6.496 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -8.352 -16.386 -4.498 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -9.302 -14.976 -4.922 1.00 0.00 H new ATOM 0 HE ARG A 110 -8.683 -16.048 -7.389 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -10.074 -17.329 -4.407 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -11.054 -18.536 -5.246 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -9.944 -17.601 -8.460 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -10.981 -18.690 -7.531 1.00 0.00 H new ATOM 1664 N ARG A 111 -4.443 -18.205 -5.003 1.00 0.00 N ATOM 1665 CA ARG A 111 -3.399 -19.195 -5.241 1.00 0.00 C ATOM 1666 C ARG A 111 -2.941 -19.161 -6.696 1.00 0.00 C ATOM 1667 O ARG A 111 -3.734 -18.906 -7.603 1.00 0.00 O ATOM 1668 CB ARG A 111 -3.903 -20.595 -4.886 1.00 0.00 C ATOM 1669 CG ARG A 111 -3.642 -20.988 -3.441 1.00 0.00 C ATOM 1670 CD ARG A 111 -3.661 -22.498 -3.263 1.00 0.00 C ATOM 1671 NE ARG A 111 -3.876 -22.882 -1.870 1.00 0.00 N ATOM 1672 CZ ARG A 111 -5.042 -22.762 -1.247 1.00 0.00 C ATOM 1673 NH1 ARG A 111 -6.094 -22.273 -1.889 1.00 0.00 N ATOM 1674 NH2 ARG A 111 -5.159 -23.133 0.022 1.00 0.00 N ATOM 0 H ARG A 111 -5.388 -18.531 -5.208 1.00 0.00 H new ATOM 0 HA ARG A 111 -2.549 -18.951 -4.604 1.00 0.00 H new ATOM 0 HB2 ARG A 111 -4.974 -20.646 -5.080 1.00 0.00 H new ATOM 0 HB3 ARG A 111 -3.425 -21.321 -5.543 1.00 0.00 H new ATOM 0 HG2 ARG A 111 -2.676 -20.595 -3.125 1.00 0.00 H new ATOM 0 HG3 ARG A 111 -4.396 -20.535 -2.798 1.00 0.00 H new ATOM 0 HD2 ARG A 111 -4.449 -22.926 -3.883 1.00 0.00 H new ATOM 0 HD3 ARG A 111 -2.717 -22.916 -3.613 1.00 0.00 H new ATOM 0 HE ARG A 111 -3.087 -23.263 -1.348 1.00 0.00 H new ATOM 0 HH11 ARG A 111 -6.009 -21.988 -2.865 1.00 0.00 H new ATOM 0 HH12 ARG A 111 -6.988 -22.182 -1.407 1.00 0.00 H new ATOM 0 HH21 ARG A 111 -4.353 -23.511 0.519 1.00 0.00 H new ATOM 0 HH22 ARG A 111 -6.055 -23.040 0.500 1.00 0.00 H new