USER MOD reduce.3.24.130724 H: found=0, std=0, add=967, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 963 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 95 MET CE :methyl -155:sc= -3.68 (180deg=-7.05!) USER MOD Set 1.2: A 97 TYR OH : rot -67:sc= 1.41 USER MOD Set 2.1: A 78 TYR OH : rot 165:sc= 0 USER MOD Set 2.2: A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 58 SER OG : rot 140:sc= -0.349 USER MOD Set 3.2: A 62 GLN : amide:sc= 0 X(o=-0.35,f=-0.5) USER MOD Set 4.1: A 24 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 40 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 36 THR OG1 : rot 180:sc= -0.362 USER MOD Set 5.2: A 38 MET CE :methyl -141:sc= -2.01 (180deg=-4.45!) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 HIS : no HE2:sc= -1.15 X(o=-1.2,f=-1.5) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -3.92 K(o=-3.9,f=-5.9!) USER MOD Single : A 28 ASN : amide:sc= -1.56 K(o=-1.6,f=-2.5!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 30:sc= -0.758 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot -129:sc= 1.48 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.243 K(o=-0.24,f=-3.5!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 52 GLN : amide:sc= -0.846 K(o=-0.85,f=-3.5!) USER MOD Single : A 53 MET CE :methyl -132:sc= -3.04 (180deg=-11.2!) USER MOD Single : A 54 SER OG : rot -116:sc= -0.161! USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 HIS :FLIP no HE2:sc= -0.199 F(o=-1.4,f=-0.2) USER MOD Single : A 63 HIS : no HD1:sc= -1.73 X(o=-1.7,f=-1.3) USER MOD Single : A 65 THR OG1 : rot -20:sc= 0.133 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.219 USER MOD Single : A 72 GLN : amide:sc= -2.04 X(o=-2,f=-1.8) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -1.14 K(o=-1.1,f=-4.2!) USER MOD Single : A 83 LYS NZ :NH3+ -176:sc= -1.14 (180deg=-1.42) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -45:sc= -2.5 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 LYS NZ :NH3+ -165:sc= -0.0292 (180deg=-0.34) USER MOD Single : A 120 THR OG1 : rot -53:sc= 1.08 USER MOD Single : A 124 HIS : no HD1:sc= 0.23 K(o=0.23,f=-1.5!) USER MOD Single : A 134 SER OG : rot 177:sc= -2.3 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 106 N PRO A 9 4.473 -4.847 8.408 1.00 0.00 N ATOM 107 CA PRO A 9 3.257 -5.030 7.545 1.00 0.00 C ATOM 108 C PRO A 9 2.525 -6.336 7.837 1.00 0.00 C ATOM 109 O PRO A 9 3.134 -7.317 8.272 1.00 0.00 O ATOM 110 CB PRO A 9 3.824 -5.031 6.124 1.00 0.00 C ATOM 111 CG PRO A 9 5.215 -5.544 6.270 1.00 0.00 C ATOM 112 CD PRO A 9 5.722 -5.008 7.604 1.00 0.00 C ATOM 0 HA PRO A 9 2.515 -4.251 7.718 1.00 0.00 H new ATOM 0 HB2 PRO A 9 3.235 -5.667 5.463 1.00 0.00 H new ATOM 0 HB3 PRO A 9 3.815 -4.030 5.694 1.00 0.00 H new ATOM 0 HG2 PRO A 9 5.233 -6.634 6.255 1.00 0.00 H new ATOM 0 HG3 PRO A 9 5.845 -5.204 5.448 1.00 0.00 H new ATOM 0 HD2 PRO A 9 6.418 -5.700 8.077 1.00 0.00 H new ATOM 0 HD3 PRO A 9 6.247 -4.061 7.483 1.00 0.00 H new ATOM 120 N THR A 10 1.210 -6.336 7.580 1.00 0.00 N ATOM 121 CA THR A 10 0.377 -7.514 7.800 1.00 0.00 C ATOM 122 C THR A 10 -0.114 -8.066 6.452 1.00 0.00 C ATOM 123 O THR A 10 -0.630 -7.319 5.617 1.00 0.00 O ATOM 124 CB THR A 10 -0.818 -7.136 8.701 1.00 0.00 C ATOM 125 OG1 THR A 10 -0.326 -6.632 9.936 1.00 0.00 O ATOM 126 CG2 THR A 10 -1.700 -8.365 8.976 1.00 0.00 C ATOM 0 H THR A 10 0.704 -5.528 7.218 1.00 0.00 H new ATOM 0 HA THR A 10 0.961 -8.289 8.296 1.00 0.00 H new ATOM 0 HB THR A 10 -1.417 -6.380 8.193 1.00 0.00 H new ATOM 0 HG1 THR A 10 -1.079 -6.388 10.513 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.537 -8.077 9.613 1.00 0.00 H new ATOM 0 HG22 THR A 10 -2.080 -8.758 8.033 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.109 -9.132 9.477 1.00 0.00 H new ATOM 134 N THR A 11 0.068 -9.377 6.255 1.00 0.00 N ATOM 135 CA THR A 11 -0.340 -10.038 5.012 1.00 0.00 C ATOM 136 C THR A 11 -1.586 -10.891 5.258 1.00 0.00 C ATOM 137 O THR A 11 -1.612 -11.716 6.176 1.00 0.00 O ATOM 138 CB THR A 11 0.821 -10.911 4.480 1.00 0.00 C ATOM 139 OG1 THR A 11 1.962 -10.089 4.267 1.00 0.00 O ATOM 140 CG2 THR A 11 0.428 -11.572 3.148 1.00 0.00 C ATOM 0 H THR A 11 0.495 -10.000 6.941 1.00 0.00 H new ATOM 0 HA THR A 11 -0.581 -9.283 4.264 1.00 0.00 H new ATOM 0 HB THR A 11 1.043 -11.687 5.212 1.00 0.00 H new ATOM 0 HG1 THR A 11 2.702 -10.637 3.931 1.00 0.00 H new ATOM 0 HG21 THR A 11 1.255 -12.183 2.787 1.00 0.00 H new ATOM 0 HG22 THR A 11 -0.449 -12.202 3.299 1.00 0.00 H new ATOM 0 HG23 THR A 11 0.199 -10.801 2.413 1.00 0.00 H new ATOM 148 N VAL A 12 -2.625 -10.662 4.442 1.00 0.00 N ATOM 149 CA VAL A 12 -3.891 -11.386 4.584 1.00 0.00 C ATOM 150 C VAL A 12 -4.339 -11.970 3.236 1.00 0.00 C ATOM 151 O VAL A 12 -4.349 -11.273 2.220 1.00 0.00 O ATOM 152 CB VAL A 12 -4.988 -10.446 5.166 1.00 0.00 C ATOM 153 CG1 VAL A 12 -6.321 -11.202 5.324 1.00 0.00 C ATOM 154 CG2 VAL A 12 -4.544 -9.927 6.541 1.00 0.00 C ATOM 0 H VAL A 12 -2.611 -9.983 3.681 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.739 -12.213 5.277 1.00 0.00 H new ATOM 0 HB VAL A 12 -5.129 -9.613 4.478 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -7.075 -10.529 5.732 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -6.649 -11.568 4.351 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -6.183 -12.045 6.001 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -5.312 -9.269 6.947 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.393 -10.769 7.216 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.611 -9.374 6.437 1.00 0.00 H new ATOM 164 N ALA A 13 -4.741 -13.243 3.256 1.00 0.00 N ATOM 165 CA ALA A 13 -5.246 -13.916 2.059 1.00 0.00 C ATOM 166 C ALA A 13 -6.758 -14.098 2.172 1.00 0.00 C ATOM 167 O ALA A 13 -7.282 -14.244 3.284 1.00 0.00 O ATOM 168 CB ALA A 13 -4.565 -15.277 1.885 1.00 0.00 C ATOM 0 H ALA A 13 -4.726 -13.829 4.091 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.021 -13.302 1.187 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.951 -15.765 0.990 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.489 -15.135 1.785 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.770 -15.900 2.756 1.00 0.00 H new ATOM 174 N PHE A 14 -7.464 -14.061 1.027 1.00 0.00 N ATOM 175 CA PHE A 14 -8.924 -14.193 1.039 1.00 0.00 C ATOM 176 C PHE A 14 -9.436 -14.948 -0.187 1.00 0.00 C ATOM 177 O PHE A 14 -8.736 -15.060 -1.198 1.00 0.00 O ATOM 178 CB PHE A 14 -9.590 -12.799 1.150 1.00 0.00 C ATOM 179 CG PHE A 14 -9.324 -11.965 -0.097 1.00 0.00 C ATOM 180 CD1 PHE A 14 -10.266 -11.943 -1.135 1.00 0.00 C ATOM 181 CD2 PHE A 14 -8.144 -11.224 -0.209 1.00 0.00 C ATOM 182 CE1 PHE A 14 -10.026 -11.177 -2.282 1.00 0.00 C ATOM 183 CE2 PHE A 14 -7.904 -10.458 -1.359 1.00 0.00 C ATOM 184 CZ PHE A 14 -8.845 -10.434 -2.393 1.00 0.00 C ATOM 0 H PHE A 14 -7.053 -13.943 0.101 1.00 0.00 H new ATOM 0 HA PHE A 14 -9.198 -14.781 1.915 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.664 -12.916 1.291 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.208 -12.278 2.028 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -11.177 -12.517 -1.050 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.417 -11.241 0.590 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -10.752 -11.159 -3.081 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -6.992 -9.886 -1.446 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.661 -9.842 -3.277 1.00 0.00 H new ATOM 194 N ASP A 15 -10.660 -15.472 -0.074 1.00 0.00 N ATOM 195 CA ASP A 15 -11.277 -16.231 -1.155 1.00 0.00 C ATOM 196 C ASP A 15 -12.304 -15.391 -1.893 1.00 0.00 C ATOM 197 O ASP A 15 -13.240 -14.864 -1.279 1.00 0.00 O ATOM 198 CB ASP A 15 -11.967 -17.479 -0.593 1.00 0.00 C ATOM 199 CG ASP A 15 -10.957 -18.354 0.141 1.00 0.00 C ATOM 200 OD1 ASP A 15 -9.891 -18.581 -0.405 1.00 0.00 O ATOM 201 OD2 ASP A 15 -11.267 -18.786 1.239 1.00 0.00 O ATOM 0 H ASP A 15 -11.241 -15.382 0.759 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.490 -16.522 -1.851 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -12.767 -17.186 0.087 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -12.428 -18.044 -1.403 1.00 0.00 H new ATOM 206 N VAL A 16 -12.171 -15.332 -3.221 1.00 0.00 N ATOM 207 CA VAL A 16 -13.144 -14.631 -4.052 1.00 0.00 C ATOM 208 C VAL A 16 -14.168 -15.640 -4.572 1.00 0.00 C ATOM 209 O VAL A 16 -13.838 -16.512 -5.374 1.00 0.00 O ATOM 210 CB VAL A 16 -12.433 -13.877 -5.211 1.00 0.00 C ATOM 211 CG1 VAL A 16 -11.704 -14.857 -6.140 1.00 0.00 C ATOM 212 CG2 VAL A 16 -13.461 -13.069 -6.017 1.00 0.00 C ATOM 0 H VAL A 16 -11.403 -15.760 -3.738 1.00 0.00 H new ATOM 0 HA VAL A 16 -13.665 -13.879 -3.460 1.00 0.00 H new ATOM 0 HB VAL A 16 -11.696 -13.201 -4.776 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.215 -14.303 -6.942 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -10.955 -15.409 -5.571 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.423 -15.556 -6.568 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -12.956 -12.543 -6.827 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -14.209 -13.744 -6.433 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.948 -12.346 -5.363 1.00 0.00 H new ATOM 222 N ARG A 17 -15.390 -15.558 -4.044 1.00 0.00 N ATOM 223 CA ARG A 17 -16.447 -16.510 -4.390 1.00 0.00 C ATOM 224 C ARG A 17 -17.511 -15.861 -5.320 1.00 0.00 C ATOM 225 O ARG A 17 -18.256 -14.983 -4.877 1.00 0.00 O ATOM 226 CB ARG A 17 -17.096 -17.049 -3.104 1.00 0.00 C ATOM 227 CG ARG A 17 -16.033 -17.835 -2.305 1.00 0.00 C ATOM 228 CD ARG A 17 -16.577 -18.227 -0.928 1.00 0.00 C ATOM 229 NE ARG A 17 -17.784 -19.067 -1.059 1.00 0.00 N ATOM 230 CZ ARG A 17 -17.739 -20.403 -1.304 1.00 0.00 C ATOM 231 NH1 ARG A 17 -16.590 -21.036 -1.455 1.00 0.00 N ATOM 232 NH2 ARG A 17 -18.855 -21.075 -1.390 1.00 0.00 N ATOM 0 H ARG A 17 -15.673 -14.842 -3.375 1.00 0.00 H new ATOM 0 HA ARG A 17 -16.002 -17.340 -4.939 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -17.487 -16.227 -2.505 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -17.939 -17.695 -3.348 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -15.744 -18.730 -2.856 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -15.135 -17.228 -2.188 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -15.812 -18.767 -0.370 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -16.814 -17.329 -0.357 1.00 0.00 H new ATOM 0 HE ARG A 17 -18.697 -18.623 -0.961 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -15.712 -20.522 -1.388 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -16.581 -22.039 -1.638 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -19.748 -20.597 -1.274 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -18.833 -22.078 -1.574 1.00 0.00 H new ATOM 246 N PRO A 18 -17.580 -16.256 -6.622 1.00 0.00 N ATOM 247 CA PRO A 18 -18.551 -15.658 -7.596 1.00 0.00 C ATOM 248 C PRO A 18 -19.981 -16.145 -7.380 1.00 0.00 C ATOM 249 O PRO A 18 -20.234 -17.030 -6.557 1.00 0.00 O ATOM 250 CB PRO A 18 -18.026 -16.117 -8.948 1.00 0.00 C ATOM 251 CG PRO A 18 -17.383 -17.429 -8.678 1.00 0.00 C ATOM 252 CD PRO A 18 -16.747 -17.307 -7.298 1.00 0.00 C ATOM 0 HA PRO A 18 -18.610 -14.575 -7.492 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -18.833 -16.214 -9.674 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -17.312 -15.403 -9.359 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -18.116 -18.235 -8.700 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -16.633 -17.659 -9.435 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.777 -18.253 -6.757 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -15.700 -17.010 -7.363 1.00 0.00 H new ATOM 260 N GLY A 19 -20.911 -15.550 -8.135 1.00 0.00 N ATOM 261 CA GLY A 19 -22.332 -15.906 -8.042 1.00 0.00 C ATOM 262 C GLY A 19 -23.254 -14.672 -8.140 1.00 0.00 C ATOM 263 O GLY A 19 -24.448 -14.767 -7.843 1.00 0.00 O ATOM 0 H GLY A 19 -20.706 -14.820 -8.817 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -22.581 -16.607 -8.839 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -22.515 -16.419 -7.098 1.00 0.00 H new ATOM 267 N GLY A 20 -22.693 -13.522 -8.562 1.00 0.00 N ATOM 268 CA GLY A 20 -23.473 -12.287 -8.699 1.00 0.00 C ATOM 269 C GLY A 20 -23.854 -11.702 -7.335 1.00 0.00 C ATOM 270 O GLY A 20 -24.865 -11.001 -7.215 1.00 0.00 O ATOM 0 H GLY A 20 -21.708 -13.427 -8.811 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -22.896 -11.553 -9.261 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -24.377 -12.490 -9.273 1.00 0.00 H new ATOM 274 N VAL A 21 -23.037 -11.992 -6.313 1.00 0.00 N ATOM 275 CA VAL A 21 -23.283 -11.496 -4.959 1.00 0.00 C ATOM 276 C VAL A 21 -22.221 -10.466 -4.589 1.00 0.00 C ATOM 277 O VAL A 21 -21.019 -10.728 -4.707 1.00 0.00 O ATOM 278 CB VAL A 21 -23.278 -12.669 -3.941 1.00 0.00 C ATOM 279 CG1 VAL A 21 -23.554 -12.152 -2.516 1.00 0.00 C ATOM 280 CG2 VAL A 21 -24.360 -13.693 -4.318 1.00 0.00 C ATOM 0 H VAL A 21 -22.200 -12.568 -6.402 1.00 0.00 H new ATOM 0 HA VAL A 21 -24.264 -11.022 -4.928 1.00 0.00 H new ATOM 0 HB VAL A 21 -22.295 -13.140 -3.968 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -23.546 -12.989 -1.818 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -22.782 -11.436 -2.233 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -24.529 -11.665 -2.488 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -24.351 -14.513 -3.600 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -25.337 -13.211 -4.306 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -24.160 -14.083 -5.316 1.00 0.00 H new ATOM 290 N VAL A 22 -22.681 -9.301 -4.141 1.00 0.00 N ATOM 291 CA VAL A 22 -21.782 -8.222 -3.746 1.00 0.00 C ATOM 292 C VAL A 22 -21.172 -8.553 -2.393 1.00 0.00 C ATOM 293 O VAL A 22 -21.889 -8.722 -1.400 1.00 0.00 O ATOM 294 CB VAL A 22 -22.555 -6.874 -3.683 1.00 0.00 C ATOM 295 CG1 VAL A 22 -21.614 -5.728 -3.265 1.00 0.00 C ATOM 296 CG2 VAL A 22 -23.148 -6.552 -5.063 1.00 0.00 C ATOM 0 H VAL A 22 -23.672 -9.080 -4.043 1.00 0.00 H new ATOM 0 HA VAL A 22 -20.986 -8.121 -4.483 1.00 0.00 H new ATOM 0 HB VAL A 22 -23.352 -6.970 -2.946 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -22.174 -4.793 -3.227 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -21.196 -5.941 -2.281 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -20.806 -5.638 -3.991 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -23.689 -5.607 -5.015 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -22.344 -6.473 -5.795 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -23.832 -7.347 -5.359 1.00 0.00 H new ATOM 306 N HIS A 23 -19.845 -8.657 -2.368 1.00 0.00 N ATOM 307 CA HIS A 23 -19.121 -8.984 -1.141 1.00 0.00 C ATOM 308 C HIS A 23 -18.236 -7.834 -0.716 1.00 0.00 C ATOM 309 O HIS A 23 -17.560 -7.215 -1.544 1.00 0.00 O ATOM 310 CB HIS A 23 -18.261 -10.243 -1.329 1.00 0.00 C ATOM 311 CG HIS A 23 -19.136 -11.422 -1.673 1.00 0.00 C ATOM 312 ND1 HIS A 23 -20.025 -11.977 -0.766 1.00 0.00 N ATOM 313 CD2 HIS A 23 -19.259 -12.162 -2.821 1.00 0.00 C ATOM 314 CE1 HIS A 23 -20.641 -13.005 -1.380 1.00 0.00 C ATOM 315 NE2 HIS A 23 -20.210 -13.161 -2.635 1.00 0.00 N ATOM 0 H HIS A 23 -19.249 -8.519 -3.184 1.00 0.00 H new ATOM 0 HA HIS A 23 -19.862 -9.172 -0.364 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -17.531 -10.079 -2.121 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -17.701 -10.450 -0.417 1.00 0.00 H new ATOM 0 HD1 HIS A 23 -20.184 -11.664 0.192 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -18.702 -11.995 -3.731 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -21.391 -13.627 -0.915 1.00 0.00 H new ATOM 323 N SER A 24 -18.230 -7.570 0.586 1.00 0.00 N ATOM 324 CA SER A 24 -17.411 -6.509 1.157 1.00 0.00 C ATOM 325 C SER A 24 -16.347 -7.096 2.066 1.00 0.00 C ATOM 326 O SER A 24 -16.655 -7.856 2.990 1.00 0.00 O ATOM 327 CB SER A 24 -18.284 -5.536 1.948 1.00 0.00 C ATOM 328 OG SER A 24 -19.201 -4.903 1.065 1.00 0.00 O ATOM 0 H SER A 24 -18.788 -8.081 1.270 1.00 0.00 H new ATOM 0 HA SER A 24 -16.925 -5.972 0.343 1.00 0.00 H new ATOM 0 HB2 SER A 24 -18.824 -6.068 2.731 1.00 0.00 H new ATOM 0 HB3 SER A 24 -17.662 -4.789 2.441 1.00 0.00 H new ATOM 0 HG SER A 24 -19.764 -4.279 1.570 1.00 0.00 H new ATOM 334 N PHE A 25 -15.095 -6.719 1.812 1.00 0.00 N ATOM 335 CA PHE A 25 -13.966 -7.181 2.617 1.00 0.00 C ATOM 336 C PHE A 25 -13.145 -5.986 3.079 1.00 0.00 C ATOM 337 O PHE A 25 -12.900 -5.057 2.299 1.00 0.00 O ATOM 338 CB PHE A 25 -13.084 -8.155 1.819 1.00 0.00 C ATOM 339 CG PHE A 25 -12.073 -8.792 2.751 1.00 0.00 C ATOM 340 CD1 PHE A 25 -12.394 -9.974 3.430 1.00 0.00 C ATOM 341 CD2 PHE A 25 -10.823 -8.190 2.946 1.00 0.00 C ATOM 342 CE1 PHE A 25 -11.466 -10.555 4.302 1.00 0.00 C ATOM 343 CE2 PHE A 25 -9.895 -8.773 3.817 1.00 0.00 C ATOM 344 CZ PHE A 25 -10.217 -9.954 4.496 1.00 0.00 C ATOM 0 H PHE A 25 -14.836 -6.091 1.051 1.00 0.00 H new ATOM 0 HA PHE A 25 -14.353 -7.712 3.487 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -13.700 -8.923 1.352 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -12.572 -7.625 1.015 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -13.358 -10.437 3.281 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -10.576 -7.277 2.425 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -11.714 -11.467 4.825 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -8.930 -8.311 3.965 1.00 0.00 H new ATOM 0 HZ PHE A 25 -9.501 -10.402 5.170 1.00 0.00 H new ATOM 354 N SER A 26 -12.757 -5.996 4.357 1.00 0.00 N ATOM 355 CA SER A 26 -12.005 -4.886 4.929 1.00 0.00 C ATOM 356 C SER A 26 -10.990 -5.374 5.952 1.00 0.00 C ATOM 357 O SER A 26 -11.044 -6.524 6.398 1.00 0.00 O ATOM 358 CB SER A 26 -12.959 -3.895 5.581 1.00 0.00 C ATOM 359 OG SER A 26 -13.519 -4.481 6.751 1.00 0.00 O ATOM 0 H SER A 26 -12.951 -6.757 5.008 1.00 0.00 H new ATOM 0 HA SER A 26 -11.463 -4.394 4.121 1.00 0.00 H new ATOM 0 HB2 SER A 26 -12.429 -2.978 5.838 1.00 0.00 H new ATOM 0 HB3 SER A 26 -13.750 -3.621 4.883 1.00 0.00 H new ATOM 0 HG SER A 26 -14.132 -3.845 7.174 1.00 0.00 H new ATOM 365 N HIS A 27 -10.057 -4.488 6.304 1.00 0.00 N ATOM 366 CA HIS A 27 -9.002 -4.809 7.260 1.00 0.00 C ATOM 367 C HIS A 27 -8.671 -3.593 8.114 1.00 0.00 C ATOM 368 O HIS A 27 -8.722 -2.447 7.637 1.00 0.00 O ATOM 369 CB HIS A 27 -7.749 -5.284 6.520 1.00 0.00 C ATOM 370 CG HIS A 27 -6.753 -5.876 7.494 1.00 0.00 C ATOM 371 ND1 HIS A 27 -5.901 -5.087 8.255 1.00 0.00 N ATOM 372 CD2 HIS A 27 -6.433 -7.176 7.802 1.00 0.00 C ATOM 373 CE1 HIS A 27 -5.109 -5.914 8.967 1.00 0.00 C ATOM 374 NE2 HIS A 27 -5.395 -7.198 8.730 1.00 0.00 N ATOM 0 H HIS A 27 -10.013 -3.537 5.937 1.00 0.00 H new ATOM 0 HA HIS A 27 -9.355 -5.608 7.912 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -8.021 -6.028 5.771 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -7.294 -4.448 5.988 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.914 -8.049 7.387 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -4.338 -5.580 9.646 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -4.949 -8.018 9.141 1.00 0.00 H new ATOM 382 N ASN A 28 -8.358 -3.856 9.380 1.00 0.00 N ATOM 383 CA ASN A 28 -8.040 -2.809 10.340 1.00 0.00 C ATOM 384 C ASN A 28 -6.834 -3.203 11.180 1.00 0.00 C ATOM 385 O ASN A 28 -6.495 -4.385 11.280 1.00 0.00 O ATOM 386 CB ASN A 28 -9.246 -2.557 11.253 1.00 0.00 C ATOM 387 CG ASN A 28 -9.083 -1.239 12.005 1.00 0.00 C ATOM 388 OD1 ASN A 28 -8.558 -0.270 11.461 1.00 0.00 O ATOM 389 ND2 ASN A 28 -9.506 -1.147 13.236 1.00 0.00 N ATOM 0 H ASN A 28 -8.318 -4.799 9.766 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.802 -1.897 9.793 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.160 -2.533 10.659 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.349 -3.377 11.963 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -9.401 -0.271 13.747 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -9.942 -1.951 13.687 1.00 0.00 H new ATOM 396 N VAL A 29 -6.194 -2.202 11.785 1.00 0.00 N ATOM 397 CA VAL A 29 -5.017 -2.428 12.631 1.00 0.00 C ATOM 398 C VAL A 29 -5.234 -1.823 14.013 1.00 0.00 C ATOM 399 O VAL A 29 -6.032 -0.892 14.168 1.00 0.00 O ATOM 400 CB VAL A 29 -3.753 -1.832 11.976 1.00 0.00 C ATOM 401 CG1 VAL A 29 -3.462 -2.571 10.664 1.00 0.00 C ATOM 402 CG2 VAL A 29 -3.955 -0.322 11.686 1.00 0.00 C ATOM 0 H VAL A 29 -6.470 -1.223 11.706 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.873 -3.503 12.739 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.912 -1.949 12.660 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.569 -2.151 10.200 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.300 -3.629 10.870 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.309 -2.459 9.988 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.055 0.083 11.224 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.800 -0.191 11.010 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.152 0.205 12.620 1.00 0.00 H new ATOM 412 N GLY A 30 -4.558 -2.390 15.023 1.00 0.00 N ATOM 413 CA GLY A 30 -4.726 -1.935 16.404 1.00 0.00 C ATOM 414 C GLY A 30 -4.342 -0.448 16.572 1.00 0.00 C ATOM 415 O GLY A 30 -5.137 0.326 17.110 1.00 0.00 O ATOM 0 H GLY A 30 -3.896 -3.158 14.908 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.762 -2.079 16.710 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.111 -2.546 17.065 1.00 0.00 H new ATOM 419 N PRO A 31 -3.152 -0.011 16.097 1.00 0.00 N ATOM 420 CA PRO A 31 -2.740 1.433 16.199 1.00 0.00 C ATOM 421 C PRO A 31 -3.724 2.342 15.464 1.00 0.00 C ATOM 422 O PRO A 31 -4.126 3.390 15.978 1.00 0.00 O ATOM 423 CB PRO A 31 -1.367 1.461 15.512 1.00 0.00 C ATOM 424 CG PRO A 31 -0.866 0.060 15.606 1.00 0.00 C ATOM 425 CD PRO A 31 -2.092 -0.818 15.440 1.00 0.00 C ATOM 0 HA PRO A 31 -2.716 1.791 17.228 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.451 1.782 14.474 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -0.691 2.157 16.008 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.127 -0.146 14.831 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -0.381 -0.120 16.565 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.317 -1.007 14.390 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.965 -1.789 15.919 1.00 0.00 H new ATOM 433 N GLY A 32 -4.118 1.908 14.267 1.00 0.00 N ATOM 434 CA GLY A 32 -5.076 2.642 13.440 1.00 0.00 C ATOM 435 C GLY A 32 -6.504 2.162 13.686 1.00 0.00 C ATOM 436 O GLY A 32 -7.076 1.451 12.850 1.00 0.00 O ATOM 0 H GLY A 32 -3.784 1.042 13.845 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.006 3.708 13.658 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.824 2.514 12.387 1.00 0.00 H new ATOM 440 N ASP A 33 -7.076 2.546 14.832 1.00 0.00 N ATOM 441 CA ASP A 33 -8.444 2.142 15.181 1.00 0.00 C ATOM 442 C ASP A 33 -9.457 2.684 14.173 1.00 0.00 C ATOM 443 O ASP A 33 -10.456 2.023 13.871 1.00 0.00 O ATOM 444 CB ASP A 33 -8.808 2.638 16.593 1.00 0.00 C ATOM 445 CG ASP A 33 -8.046 1.853 17.680 1.00 0.00 C ATOM 446 OD1 ASP A 33 -7.591 0.749 17.401 1.00 0.00 O ATOM 447 OD2 ASP A 33 -7.932 2.373 18.777 1.00 0.00 O ATOM 0 H ASP A 33 -6.618 3.132 15.530 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.481 1.053 15.159 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.575 3.699 16.678 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.881 2.533 16.752 1.00 0.00 H new ATOM 452 N LYS A 34 -9.206 3.900 13.677 1.00 0.00 N ATOM 453 CA LYS A 34 -10.117 4.552 12.719 1.00 0.00 C ATOM 454 C LYS A 34 -9.638 4.433 11.260 1.00 0.00 C ATOM 455 O LYS A 34 -10.336 4.873 10.345 1.00 0.00 O ATOM 456 CB LYS A 34 -10.290 6.024 13.084 1.00 0.00 C ATOM 457 CG LYS A 34 -10.977 6.124 14.442 1.00 0.00 C ATOM 458 CD LYS A 34 -11.169 7.595 14.815 1.00 0.00 C ATOM 459 CE LYS A 34 -11.859 7.688 16.179 1.00 0.00 C ATOM 460 NZ LYS A 34 -12.034 9.119 16.550 1.00 0.00 N ATOM 0 H LYS A 34 -8.384 4.454 13.919 1.00 0.00 H new ATOM 0 HA LYS A 34 -11.072 4.031 12.787 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.320 6.520 13.116 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.883 6.533 12.324 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.942 5.618 14.410 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.378 5.621 15.201 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -10.205 8.102 14.848 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.769 8.099 14.057 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.828 7.189 16.143 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.264 7.175 16.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.503 9.183 17.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.104 9.581 16.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.618 9.595 15.833 1.00 0.00 H new ATOM 474 N TYR A 35 -8.449 3.853 11.055 1.00 0.00 N ATOM 475 CA TYR A 35 -7.877 3.711 9.702 1.00 0.00 C ATOM 476 C TYR A 35 -8.177 2.328 9.140 1.00 0.00 C ATOM 477 O TYR A 35 -7.748 1.319 9.707 1.00 0.00 O ATOM 478 CB TYR A 35 -6.356 3.928 9.746 1.00 0.00 C ATOM 479 CG TYR A 35 -6.052 5.326 10.236 1.00 0.00 C ATOM 480 CD1 TYR A 35 -5.860 5.558 11.605 1.00 0.00 C ATOM 481 CD2 TYR A 35 -5.964 6.384 9.329 1.00 0.00 C ATOM 482 CE1 TYR A 35 -5.582 6.849 12.064 1.00 0.00 C ATOM 483 CE2 TYR A 35 -5.685 7.676 9.788 1.00 0.00 C ATOM 484 CZ TYR A 35 -5.493 7.910 11.156 1.00 0.00 C ATOM 485 OH TYR A 35 -5.217 9.185 11.607 1.00 0.00 O ATOM 0 H TYR A 35 -7.864 3.475 11.801 1.00 0.00 H new ATOM 0 HA TYR A 35 -8.331 4.463 9.056 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.894 3.193 10.405 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.929 3.780 8.754 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -5.927 4.739 12.306 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -6.111 6.205 8.274 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.436 7.027 13.119 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.618 8.494 9.087 1.00 0.00 H new ATOM 0 HH TYR A 35 -4.666 9.134 12.416 1.00 0.00 H new ATOM 495 N THR A 36 -8.941 2.284 8.037 1.00 0.00 N ATOM 496 CA THR A 36 -9.329 1.000 7.429 1.00 0.00 C ATOM 497 C THR A 36 -9.220 1.033 5.912 1.00 0.00 C ATOM 498 O THR A 36 -9.334 2.095 5.292 1.00 0.00 O ATOM 499 CB THR A 36 -10.783 0.648 7.798 1.00 0.00 C ATOM 500 OG1 THR A 36 -11.655 1.621 7.242 1.00 0.00 O ATOM 501 CG2 THR A 36 -10.961 0.620 9.314 1.00 0.00 C ATOM 0 H THR A 36 -9.298 3.108 7.554 1.00 0.00 H new ATOM 0 HA THR A 36 -8.642 0.249 7.818 1.00 0.00 H new ATOM 0 HB THR A 36 -11.018 -0.339 7.399 1.00 0.00 H new ATOM 0 HG1 THR A 36 -12.581 1.400 7.473 1.00 0.00 H new ATOM 0 HG21 THR A 36 -11.994 0.370 9.554 1.00 0.00 H new ATOM 0 HG22 THR A 36 -10.296 -0.129 9.745 1.00 0.00 H new ATOM 0 HG23 THR A 36 -10.720 1.599 9.727 1.00 0.00 H new ATOM 509 N CYS A 37 -9.131 -0.164 5.318 1.00 0.00 N ATOM 510 CA CYS A 37 -9.162 -0.316 3.860 1.00 0.00 C ATOM 511 C CYS A 37 -10.307 -1.243 3.470 1.00 0.00 C ATOM 512 O CYS A 37 -10.485 -2.303 4.075 1.00 0.00 O ATOM 513 CB CYS A 37 -7.826 -0.859 3.312 1.00 0.00 C ATOM 514 SG CYS A 37 -6.520 0.383 3.522 1.00 0.00 S ATOM 0 H CYS A 37 -9.037 -1.043 5.827 1.00 0.00 H new ATOM 0 HA CYS A 37 -9.318 0.669 3.419 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -7.555 -1.776 3.835 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -7.932 -1.113 2.257 1.00 0.00 H new ATOM 519 N MET A 38 -11.114 -0.810 2.492 1.00 0.00 N ATOM 520 CA MET A 38 -12.286 -1.582 2.062 1.00 0.00 C ATOM 521 C MET A 38 -12.238 -1.923 0.591 1.00 0.00 C ATOM 522 O MET A 38 -11.765 -1.133 -0.233 1.00 0.00 O ATOM 523 CB MET A 38 -13.570 -0.814 2.355 1.00 0.00 C ATOM 524 CG MET A 38 -13.746 -0.688 3.861 1.00 0.00 C ATOM 525 SD MET A 38 -15.280 0.200 4.230 1.00 0.00 S ATOM 526 CE MET A 38 -15.289 -0.095 6.020 1.00 0.00 C ATOM 0 H MET A 38 -10.977 0.065 1.987 1.00 0.00 H new ATOM 0 HA MET A 38 -12.272 -2.513 2.628 1.00 0.00 H new ATOM 0 HB2 MET A 38 -13.529 0.175 1.898 1.00 0.00 H new ATOM 0 HB3 MET A 38 -14.425 -1.331 1.919 1.00 0.00 H new ATOM 0 HG2 MET A 38 -13.770 -1.678 4.317 1.00 0.00 H new ATOM 0 HG3 MET A 38 -12.896 -0.159 4.292 1.00 0.00 H new ATOM 0 HE1 MET A 38 -16.309 -0.287 6.352 1.00 0.00 H new ATOM 0 HE2 MET A 38 -14.664 -0.958 6.250 1.00 0.00 H new ATOM 0 HE3 MET A 38 -14.899 0.783 6.535 1.00 0.00 H new ATOM 536 N PHE A 39 -12.772 -3.101 0.267 1.00 0.00 N ATOM 537 CA PHE A 39 -12.843 -3.567 -1.111 1.00 0.00 C ATOM 538 C PHE A 39 -14.197 -4.253 -1.374 1.00 0.00 C ATOM 539 O PHE A 39 -14.462 -5.344 -0.864 1.00 0.00 O ATOM 540 CB PHE A 39 -11.666 -4.532 -1.397 1.00 0.00 C ATOM 541 CG PHE A 39 -11.690 -4.993 -2.851 1.00 0.00 C ATOM 542 CD1 PHE A 39 -11.434 -4.080 -3.878 1.00 0.00 C ATOM 543 CD2 PHE A 39 -11.968 -6.333 -3.162 1.00 0.00 C ATOM 544 CE1 PHE A 39 -11.459 -4.501 -5.213 1.00 0.00 C ATOM 545 CE2 PHE A 39 -11.990 -6.752 -4.499 1.00 0.00 C ATOM 546 CZ PHE A 39 -11.736 -5.836 -5.523 1.00 0.00 C ATOM 0 H PHE A 39 -13.163 -3.751 0.948 1.00 0.00 H new ATOM 0 HA PHE A 39 -12.763 -2.714 -1.785 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.720 -4.034 -1.183 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -11.728 -5.396 -0.735 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -11.217 -3.049 -3.641 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -12.165 -7.041 -2.371 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -11.264 -3.793 -6.005 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -12.203 -7.783 -4.738 1.00 0.00 H new ATOM 0 HZ PHE A 39 -11.754 -6.159 -6.553 1.00 0.00 H new ATOM 556 N THR A 40 -15.034 -3.603 -2.193 1.00 0.00 N ATOM 557 CA THR A 40 -16.356 -4.143 -2.559 1.00 0.00 C ATOM 558 C THR A 40 -16.335 -4.583 -4.030 1.00 0.00 C ATOM 559 O THR A 40 -15.843 -3.847 -4.888 1.00 0.00 O ATOM 560 CB THR A 40 -17.443 -3.064 -2.330 1.00 0.00 C ATOM 561 OG1 THR A 40 -17.427 -2.668 -0.965 1.00 0.00 O ATOM 562 CG2 THR A 40 -18.835 -3.621 -2.672 1.00 0.00 C ATOM 0 H THR A 40 -14.821 -2.700 -2.617 1.00 0.00 H new ATOM 0 HA THR A 40 -16.588 -5.006 -1.935 1.00 0.00 H new ATOM 0 HB THR A 40 -17.233 -2.211 -2.975 1.00 0.00 H new ATOM 0 HG1 THR A 40 -18.112 -1.984 -0.815 1.00 0.00 H new ATOM 0 HG21 THR A 40 -19.587 -2.849 -2.505 1.00 0.00 H new ATOM 0 HG22 THR A 40 -18.857 -3.929 -3.717 1.00 0.00 H new ATOM 0 HG23 THR A 40 -19.050 -4.480 -2.036 1.00 0.00 H new ATOM 570 N TYR A 41 -16.806 -5.818 -4.302 1.00 0.00 N ATOM 571 CA TYR A 41 -16.753 -6.363 -5.669 1.00 0.00 C ATOM 572 C TYR A 41 -17.903 -7.348 -5.976 1.00 0.00 C ATOM 573 O TYR A 41 -18.497 -7.937 -5.071 1.00 0.00 O ATOM 574 CB TYR A 41 -15.391 -7.062 -5.892 1.00 0.00 C ATOM 575 CG TYR A 41 -15.248 -8.243 -4.937 1.00 0.00 C ATOM 576 CD1 TYR A 41 -15.669 -9.516 -5.337 1.00 0.00 C ATOM 577 CD2 TYR A 41 -14.715 -8.053 -3.657 1.00 0.00 C ATOM 578 CE1 TYR A 41 -15.553 -10.600 -4.458 1.00 0.00 C ATOM 579 CE2 TYR A 41 -14.597 -9.136 -2.778 1.00 0.00 C ATOM 580 CZ TYR A 41 -15.017 -10.411 -3.178 1.00 0.00 C ATOM 581 OH TYR A 41 -14.905 -11.479 -2.312 1.00 0.00 O ATOM 0 H TYR A 41 -17.218 -6.442 -3.609 1.00 0.00 H new ATOM 0 HA TYR A 41 -16.870 -5.523 -6.353 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -15.314 -7.406 -6.923 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -14.579 -6.353 -5.731 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -16.083 -9.663 -6.324 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -14.394 -7.069 -3.347 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -15.877 -11.583 -4.767 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -14.182 -8.989 -1.792 1.00 0.00 H new ATOM 0 HH TYR A 41 -14.512 -11.175 -1.467 1.00 0.00 H new ATOM 591 N ALA A 42 -18.130 -7.568 -7.277 1.00 0.00 N ATOM 592 CA ALA A 42 -19.116 -8.538 -7.763 1.00 0.00 C ATOM 593 C ALA A 42 -18.475 -9.384 -8.867 1.00 0.00 C ATOM 594 O ALA A 42 -17.784 -8.837 -9.745 1.00 0.00 O ATOM 595 CB ALA A 42 -20.349 -7.813 -8.307 1.00 0.00 C ATOM 0 H ALA A 42 -17.634 -7.078 -8.022 1.00 0.00 H new ATOM 0 HA ALA A 42 -19.431 -9.181 -6.941 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -21.073 -8.545 -8.665 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -20.799 -7.215 -7.514 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -20.055 -7.162 -9.130 1.00 0.00 H new ATOM 601 N SER A 43 -18.640 -10.723 -8.787 1.00 0.00 N ATOM 602 CA SER A 43 -17.992 -11.626 -9.750 1.00 0.00 C ATOM 603 C SER A 43 -18.925 -12.726 -10.254 1.00 0.00 C ATOM 604 O SER A 43 -19.884 -13.107 -9.580 1.00 0.00 O ATOM 605 CB SER A 43 -16.757 -12.256 -9.118 1.00 0.00 C ATOM 606 OG SER A 43 -15.863 -11.230 -8.706 1.00 0.00 O ATOM 0 H SER A 43 -19.206 -11.190 -8.079 1.00 0.00 H new ATOM 0 HA SER A 43 -17.711 -11.021 -10.612 1.00 0.00 H new ATOM 0 HB2 SER A 43 -17.044 -12.868 -8.263 1.00 0.00 H new ATOM 0 HB3 SER A 43 -16.266 -12.917 -9.833 1.00 0.00 H new ATOM 0 HG SER A 43 -14.966 -11.420 -9.052 1.00 0.00 H new ATOM 612 N GLN A 44 -18.591 -13.259 -11.435 1.00 0.00 N ATOM 613 CA GLN A 44 -19.342 -14.352 -12.051 1.00 0.00 C ATOM 614 C GLN A 44 -18.404 -15.524 -12.391 1.00 0.00 C ATOM 615 O GLN A 44 -17.352 -15.337 -13.006 1.00 0.00 O ATOM 616 CB GLN A 44 -20.073 -13.845 -13.316 1.00 0.00 C ATOM 617 CG GLN A 44 -20.866 -14.987 -13.971 1.00 0.00 C ATOM 618 CD GLN A 44 -21.810 -14.438 -15.040 1.00 0.00 C ATOM 619 OE1 GLN A 44 -21.488 -13.458 -15.717 1.00 0.00 O ATOM 620 NE2 GLN A 44 -22.969 -15.005 -15.224 1.00 0.00 N ATOM 0 H GLN A 44 -17.794 -12.944 -11.987 1.00 0.00 H new ATOM 0 HA GLN A 44 -20.088 -14.712 -11.343 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -20.747 -13.030 -13.052 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -19.349 -13.443 -14.025 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -20.179 -15.705 -14.418 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -21.438 -15.522 -13.213 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -23.235 -15.815 -14.664 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -23.610 -14.639 -15.928 1.00 0.00 H new ATOM 629 N GLY A 45 -18.807 -16.726 -11.972 1.00 0.00 N ATOM 630 CA GLY A 45 -18.030 -17.941 -12.204 1.00 0.00 C ATOM 631 C GLY A 45 -18.511 -19.060 -11.286 1.00 0.00 C ATOM 632 O GLY A 45 -19.426 -18.859 -10.480 1.00 0.00 O ATOM 0 H GLY A 45 -19.678 -16.882 -11.465 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -18.126 -18.249 -13.245 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -16.973 -17.744 -12.026 1.00 0.00 H new ATOM 636 N GLY A 46 -17.888 -20.237 -11.408 1.00 0.00 N ATOM 637 CA GLY A 46 -18.254 -21.395 -10.575 1.00 0.00 C ATOM 638 C GLY A 46 -17.098 -21.861 -9.665 1.00 0.00 C ATOM 639 O GLY A 46 -17.265 -22.810 -8.891 1.00 0.00 O ATOM 0 H GLY A 46 -17.133 -20.416 -12.070 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -19.115 -21.137 -9.959 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -18.559 -22.219 -11.219 1.00 0.00 H new ATOM 643 N THR A 47 -15.932 -21.197 -9.765 1.00 0.00 N ATOM 644 CA THR A 47 -14.764 -21.562 -8.951 1.00 0.00 C ATOM 645 C THR A 47 -14.158 -20.321 -8.301 1.00 0.00 C ATOM 646 O THR A 47 -13.932 -19.314 -8.974 1.00 0.00 O ATOM 647 CB THR A 47 -13.715 -22.281 -9.827 1.00 0.00 C ATOM 648 OG1 THR A 47 -14.320 -23.409 -10.447 1.00 0.00 O ATOM 649 CG2 THR A 47 -12.534 -22.758 -8.966 1.00 0.00 C ATOM 0 H THR A 47 -15.776 -20.411 -10.397 1.00 0.00 H new ATOM 0 HA THR A 47 -15.084 -22.240 -8.160 1.00 0.00 H new ATOM 0 HB THR A 47 -13.348 -21.585 -10.581 1.00 0.00 H new ATOM 0 HG1 THR A 47 -13.659 -23.869 -11.006 1.00 0.00 H new ATOM 0 HG21 THR A 47 -11.803 -23.263 -9.598 1.00 0.00 H new ATOM 0 HG22 THR A 47 -12.065 -21.900 -8.484 1.00 0.00 H new ATOM 0 HG23 THR A 47 -12.895 -23.450 -8.205 1.00 0.00 H new ATOM 657 N ASN A 48 -13.888 -20.410 -6.993 1.00 0.00 N ATOM 658 CA ASN A 48 -13.300 -19.294 -6.261 1.00 0.00 C ATOM 659 C ASN A 48 -11.785 -19.239 -6.473 1.00 0.00 C ATOM 660 O ASN A 48 -11.222 -20.077 -7.184 1.00 0.00 O ATOM 661 CB ASN A 48 -13.632 -19.399 -4.760 1.00 0.00 C ATOM 662 CG ASN A 48 -12.913 -20.598 -4.111 1.00 0.00 C ATOM 663 OD1 ASN A 48 -12.450 -21.511 -4.804 1.00 0.00 O ATOM 664 ND2 ASN A 48 -12.796 -20.644 -2.812 1.00 0.00 N ATOM 0 H ASN A 48 -14.068 -21.240 -6.427 1.00 0.00 H new ATOM 0 HA ASN A 48 -13.730 -18.370 -6.648 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -13.338 -18.479 -4.255 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -14.709 -19.504 -4.630 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.323 -21.432 -2.370 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.177 -19.892 -2.239 1.00 0.00 H new ATOM 671 N GLU A 49 -11.136 -18.231 -5.869 1.00 0.00 N ATOM 672 CA GLU A 49 -9.697 -18.049 -6.012 1.00 0.00 C ATOM 673 C GLU A 49 -9.093 -17.422 -4.764 1.00 0.00 C ATOM 674 O GLU A 49 -9.757 -16.660 -4.053 1.00 0.00 O ATOM 675 CB GLU A 49 -9.398 -17.174 -7.228 1.00 0.00 C ATOM 676 CG GLU A 49 -7.919 -17.274 -7.601 1.00 0.00 C ATOM 677 CD GLU A 49 -7.576 -18.695 -8.056 1.00 0.00 C ATOM 678 OE1 GLU A 49 -7.201 -19.492 -7.212 1.00 0.00 O ATOM 679 OE2 GLU A 49 -7.695 -18.962 -9.240 1.00 0.00 O ATOM 0 H GLU A 49 -11.591 -17.534 -5.279 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.246 -19.031 -6.152 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.015 -17.487 -8.071 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.656 -16.137 -7.011 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.690 -16.566 -8.397 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.303 -17.001 -6.744 1.00 0.00 H new ATOM 686 N GLN A 50 -7.822 -17.746 -4.513 1.00 0.00 N ATOM 687 CA GLN A 50 -7.100 -17.214 -3.360 1.00 0.00 C ATOM 688 C GLN A 50 -6.191 -16.055 -3.767 1.00 0.00 C ATOM 689 O GLN A 50 -5.285 -16.216 -4.590 1.00 0.00 O ATOM 690 CB GLN A 50 -6.267 -18.319 -2.704 1.00 0.00 C ATOM 691 CG GLN A 50 -7.200 -19.383 -2.121 1.00 0.00 C ATOM 692 CD GLN A 50 -6.387 -20.511 -1.485 1.00 0.00 C ATOM 693 OE1 GLN A 50 -5.360 -20.260 -0.853 1.00 0.00 O ATOM 694 NE2 GLN A 50 -6.792 -21.746 -1.612 1.00 0.00 N ATOM 0 H GLN A 50 -7.272 -18.377 -5.096 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.834 -16.841 -2.646 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -5.598 -18.769 -3.438 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -5.641 -17.899 -1.917 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -7.855 -18.933 -1.375 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -7.840 -19.785 -2.906 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -7.643 -21.952 -2.136 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.258 -22.504 -1.188 1.00 0.00 H new ATOM 703 N TRP A 51 -6.444 -14.894 -3.169 1.00 0.00 N ATOM 704 CA TRP A 51 -5.664 -13.680 -3.431 1.00 0.00 C ATOM 705 C TRP A 51 -4.903 -13.249 -2.182 1.00 0.00 C ATOM 706 O TRP A 51 -5.392 -13.414 -1.063 1.00 0.00 O ATOM 707 CB TRP A 51 -6.591 -12.545 -3.875 1.00 0.00 C ATOM 708 CG TRP A 51 -7.108 -12.805 -5.258 1.00 0.00 C ATOM 709 CD1 TRP A 51 -7.910 -13.836 -5.613 1.00 0.00 C ATOM 710 CD2 TRP A 51 -6.888 -12.020 -6.467 1.00 0.00 C ATOM 711 NE1 TRP A 51 -8.184 -13.740 -6.969 1.00 0.00 N ATOM 712 CE2 TRP A 51 -7.579 -12.634 -7.536 1.00 0.00 C ATOM 713 CE3 TRP A 51 -6.160 -10.845 -6.734 1.00 0.00 C ATOM 714 CZ2 TRP A 51 -7.548 -12.106 -8.828 1.00 0.00 C ATOM 715 CZ3 TRP A 51 -6.128 -10.308 -8.035 1.00 0.00 C ATOM 716 CH2 TRP A 51 -6.821 -10.937 -9.078 1.00 0.00 C ATOM 0 H TRP A 51 -7.194 -14.764 -2.490 1.00 0.00 H new ATOM 0 HA TRP A 51 -4.949 -13.900 -4.224 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -7.425 -12.454 -3.179 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -6.053 -11.597 -3.853 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -8.276 -14.606 -4.950 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -8.761 -14.404 -7.485 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -5.623 -10.353 -5.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -8.081 -12.596 -9.629 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -5.566 -9.406 -8.230 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -6.794 -10.520 -10.074 1.00 0.00 H new ATOM 727 N GLN A 52 -3.705 -12.688 -2.386 1.00 0.00 N ATOM 728 CA GLN A 52 -2.871 -12.219 -1.271 1.00 0.00 C ATOM 729 C GLN A 52 -2.973 -10.707 -1.127 1.00 0.00 C ATOM 730 O GLN A 52 -3.109 -9.989 -2.123 1.00 0.00 O ATOM 731 CB GLN A 52 -1.396 -12.610 -1.488 1.00 0.00 C ATOM 732 CG GLN A 52 -1.257 -14.142 -1.620 1.00 0.00 C ATOM 733 CD GLN A 52 -1.699 -14.840 -0.331 1.00 0.00 C ATOM 734 OE1 GLN A 52 -2.658 -15.609 -0.338 1.00 0.00 O ATOM 735 NE2 GLN A 52 -1.051 -14.612 0.778 1.00 0.00 N ATOM 0 H GLN A 52 -3.292 -12.548 -3.308 1.00 0.00 H new ATOM 0 HA GLN A 52 -3.236 -12.694 -0.360 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -1.013 -12.125 -2.386 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.793 -12.255 -0.653 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.860 -14.496 -2.456 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -0.222 -14.400 -1.842 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.255 -13.974 0.782 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -1.340 -15.072 1.641 1.00 0.00 H new ATOM 744 N MET A 53 -2.900 -10.229 0.119 1.00 0.00 N ATOM 745 CA MET A 53 -2.978 -8.796 0.401 1.00 0.00 C ATOM 746 C MET A 53 -1.837 -8.376 1.302 1.00 0.00 C ATOM 747 O MET A 53 -1.388 -9.156 2.145 1.00 0.00 O ATOM 748 CB MET A 53 -4.311 -8.448 1.078 1.00 0.00 C ATOM 749 CG MET A 53 -5.475 -8.805 0.152 1.00 0.00 C ATOM 750 SD MET A 53 -7.033 -8.241 0.894 1.00 0.00 S ATOM 751 CE MET A 53 -7.118 -9.448 2.250 1.00 0.00 C ATOM 0 H MET A 53 -2.787 -10.815 0.947 1.00 0.00 H new ATOM 0 HA MET A 53 -2.909 -8.262 -0.547 1.00 0.00 H new ATOM 0 HB2 MET A 53 -4.404 -8.991 2.019 1.00 0.00 H new ATOM 0 HB3 MET A 53 -4.340 -7.385 1.319 1.00 0.00 H new ATOM 0 HG2 MET A 53 -5.334 -8.339 -0.823 1.00 0.00 H new ATOM 0 HG3 MET A 53 -5.507 -9.882 -0.011 1.00 0.00 H new ATOM 0 HE1 MET A 53 -8.114 -9.889 2.283 1.00 0.00 H new ATOM 0 HE2 MET A 53 -6.379 -10.232 2.086 1.00 0.00 H new ATOM 0 HE3 MET A 53 -6.912 -8.948 3.196 1.00 0.00 H new ATOM 761 N SER A 54 -1.400 -7.126 1.150 1.00 0.00 N ATOM 762 CA SER A 54 -0.341 -6.577 1.991 1.00 0.00 C ATOM 763 C SER A 54 -0.758 -5.239 2.555 1.00 0.00 C ATOM 764 O SER A 54 -1.406 -4.436 1.874 1.00 0.00 O ATOM 765 CB SER A 54 0.957 -6.432 1.205 1.00 0.00 C ATOM 766 OG SER A 54 0.745 -5.577 0.091 1.00 0.00 O ATOM 0 H SER A 54 -1.764 -6.476 0.453 1.00 0.00 H new ATOM 0 HA SER A 54 -0.169 -7.270 2.815 1.00 0.00 H new ATOM 0 HB2 SER A 54 1.739 -6.024 1.846 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.300 -7.410 0.866 1.00 0.00 H new ATOM 0 HG SER A 54 0.874 -6.083 -0.739 1.00 0.00 H new ATOM 772 N LEU A 55 -0.412 -5.026 3.814 1.00 0.00 N ATOM 773 CA LEU A 55 -0.772 -3.804 4.524 1.00 0.00 C ATOM 774 C LEU A 55 0.445 -3.250 5.237 1.00 0.00 C ATOM 775 O LEU A 55 1.211 -4.015 5.826 1.00 0.00 O ATOM 776 CB LEU A 55 -1.872 -4.115 5.559 1.00 0.00 C ATOM 777 CG LEU A 55 -3.107 -4.750 4.876 1.00 0.00 C ATOM 778 CD1 LEU A 55 -4.080 -5.223 5.943 1.00 0.00 C ATOM 779 CD2 LEU A 55 -3.815 -3.719 3.989 1.00 0.00 C ATOM 0 H LEU A 55 0.124 -5.690 4.373 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.140 -3.068 3.809 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.482 -4.793 6.318 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.165 -3.198 6.071 1.00 0.00 H new ATOM 0 HG LEU A 55 -2.777 -5.588 4.262 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.952 -5.671 5.467 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.592 -5.963 6.578 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -4.394 -4.374 6.551 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.682 -4.180 3.515 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.141 -2.877 4.599 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.127 -3.366 3.221 1.00 0.00 H new ATOM 791 N GLY A 56 0.614 -1.925 5.205 1.00 0.00 N ATOM 792 CA GLY A 56 1.751 -1.293 5.884 1.00 0.00 C ATOM 793 C GLY A 56 1.468 0.162 6.230 1.00 0.00 C ATOM 794 O GLY A 56 0.755 0.857 5.501 1.00 0.00 O ATOM 0 H GLY A 56 -0.010 -1.277 4.725 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.982 -1.845 6.795 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.632 -1.349 5.245 1.00 0.00 H new ATOM 798 N THR A 57 2.049 0.615 7.347 1.00 0.00 N ATOM 799 CA THR A 57 1.884 1.991 7.804 1.00 0.00 C ATOM 800 C THR A 57 3.222 2.568 8.249 1.00 0.00 C ATOM 801 O THR A 57 4.146 1.821 8.590 1.00 0.00 O ATOM 802 CB THR A 57 0.886 2.055 8.972 1.00 0.00 C ATOM 803 OG1 THR A 57 1.382 1.287 10.059 1.00 0.00 O ATOM 804 CG2 THR A 57 -0.476 1.505 8.532 1.00 0.00 C ATOM 0 H THR A 57 2.639 0.042 7.950 1.00 0.00 H new ATOM 0 HA THR A 57 1.498 2.580 6.972 1.00 0.00 H new ATOM 0 HB THR A 57 0.765 3.093 9.282 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.748 1.328 10.805 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.175 1.555 9.367 1.00 0.00 H new ATOM 0 HG22 THR A 57 -0.858 2.100 7.702 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.364 0.469 8.214 1.00 0.00 H new ATOM 812 N SER A 58 3.303 3.897 8.283 1.00 0.00 N ATOM 813 CA SER A 58 4.508 4.591 8.731 1.00 0.00 C ATOM 814 C SER A 58 4.692 4.402 10.233 1.00 0.00 C ATOM 815 O SER A 58 3.711 4.219 10.961 1.00 0.00 O ATOM 816 CB SER A 58 4.412 6.079 8.401 1.00 0.00 C ATOM 817 OG SER A 58 5.558 6.750 8.914 1.00 0.00 O ATOM 0 H SER A 58 2.543 4.517 8.004 1.00 0.00 H new ATOM 0 HA SER A 58 5.369 4.170 8.212 1.00 0.00 H new ATOM 0 HB2 SER A 58 4.346 6.220 7.322 1.00 0.00 H new ATOM 0 HB3 SER A 58 3.505 6.501 8.834 1.00 0.00 H new ATOM 0 HG SER A 58 5.861 7.422 8.268 1.00 0.00 H new ATOM 823 N GLU A 59 5.952 4.433 10.694 1.00 0.00 N ATOM 824 CA GLU A 59 6.243 4.270 12.128 1.00 0.00 C ATOM 825 C GLU A 59 5.526 5.355 12.964 1.00 0.00 C ATOM 826 O GLU A 59 5.191 5.132 14.130 1.00 0.00 O ATOM 827 CB GLU A 59 7.766 4.303 12.380 1.00 0.00 C ATOM 828 CG GLU A 59 8.353 5.676 11.968 1.00 0.00 C ATOM 829 CD GLU A 59 9.882 5.737 12.206 1.00 0.00 C ATOM 830 OE1 GLU A 59 10.433 4.801 12.781 1.00 0.00 O ATOM 831 OE2 GLU A 59 10.476 6.726 11.805 1.00 0.00 O ATOM 0 H GLU A 59 6.774 4.567 10.106 1.00 0.00 H new ATOM 0 HA GLU A 59 5.864 3.298 12.443 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.971 4.115 13.434 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.252 3.508 11.814 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.140 5.862 10.915 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.864 6.467 12.537 1.00 0.00 H new ATOM 838 N ASP A 60 5.246 6.503 12.326 1.00 0.00 N ATOM 839 CA ASP A 60 4.506 7.600 12.969 1.00 0.00 C ATOM 840 C ASP A 60 3.000 7.557 12.606 1.00 0.00 C ATOM 841 O ASP A 60 2.226 8.411 13.044 1.00 0.00 O ATOM 842 CB ASP A 60 5.096 8.951 12.551 1.00 0.00 C ATOM 843 CG ASP A 60 6.566 9.030 12.948 1.00 0.00 C ATOM 844 OD1 ASP A 60 7.400 8.668 12.134 1.00 0.00 O ATOM 845 OD2 ASP A 60 6.838 9.453 14.060 1.00 0.00 O ATOM 0 H ASP A 60 5.522 6.695 11.363 1.00 0.00 H new ATOM 0 HA ASP A 60 4.602 7.476 14.048 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.995 9.082 11.474 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.540 9.761 13.024 1.00 0.00 H new ATOM 850 N HIS A 61 2.599 6.555 11.796 1.00 0.00 N ATOM 851 CA HIS A 61 1.199 6.389 11.360 1.00 0.00 C ATOM 852 C HIS A 61 0.758 7.564 10.465 1.00 0.00 C ATOM 853 O HIS A 61 -0.437 7.868 10.365 1.00 0.00 O ATOM 854 CB HIS A 61 0.249 6.279 12.588 1.00 0.00 C ATOM 855 CG HIS A 61 0.725 5.204 13.567 1.00 0.00 C ATOM 856 ND1 HIS A 61 1.629 4.164 13.449 1.00 0.00 N flip ATOM 857 CD2 HIS A 61 0.261 5.147 14.872 1.00 0.00 C flip ATOM 858 CE1 HIS A 61 1.719 3.483 14.657 1.00 0.00 C flip ATOM 859 NE2 HIS A 61 0.876 4.115 15.479 1.00 0.00 N flip ATOM 0 H HIS A 61 3.232 5.844 11.429 1.00 0.00 H new ATOM 0 HA HIS A 61 1.139 5.467 10.782 1.00 0.00 H new ATOM 0 HB2 HIS A 61 0.198 7.241 13.098 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -0.760 6.044 12.249 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.150 3.932 12.604 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.463 5.811 15.321 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.337 2.627 14.883 1.00 0.00 H new ATOM 867 N GLN A 62 1.734 8.207 9.807 1.00 0.00 N ATOM 868 CA GLN A 62 1.465 9.334 8.911 1.00 0.00 C ATOM 869 C GLN A 62 0.979 8.869 7.529 1.00 0.00 C ATOM 870 O GLN A 62 0.224 9.583 6.861 1.00 0.00 O ATOM 871 CB GLN A 62 2.708 10.233 8.774 1.00 0.00 C ATOM 872 CG GLN A 62 3.890 9.418 8.245 1.00 0.00 C ATOM 873 CD GLN A 62 5.059 10.340 7.927 1.00 0.00 C ATOM 874 OE1 GLN A 62 4.902 11.302 7.177 1.00 0.00 O ATOM 875 NE2 GLN A 62 6.228 10.105 8.461 1.00 0.00 N ATOM 0 H GLN A 62 2.721 7.961 9.882 1.00 0.00 H new ATOM 0 HA GLN A 62 0.660 9.916 9.360 1.00 0.00 H new ATOM 0 HB2 GLN A 62 2.495 11.061 8.098 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.960 10.668 9.741 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.192 8.677 8.985 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.594 8.871 7.350 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.353 9.306 9.082 1.00 0.00 H new ATOM 0 HE22 GLN A 62 7.015 10.721 8.256 1.00 0.00 H new ATOM 884 N HIS A 63 1.408 7.663 7.111 1.00 0.00 N ATOM 885 CA HIS A 63 0.999 7.106 5.810 1.00 0.00 C ATOM 886 C HIS A 63 0.397 5.707 5.955 1.00 0.00 C ATOM 887 O HIS A 63 0.961 4.842 6.629 1.00 0.00 O ATOM 888 CB HIS A 63 2.185 7.056 4.832 1.00 0.00 C ATOM 889 CG HIS A 63 2.677 8.447 4.533 1.00 0.00 C ATOM 890 ND1 HIS A 63 1.923 9.349 3.803 1.00 0.00 N ATOM 891 CD2 HIS A 63 3.854 9.092 4.821 1.00 0.00 C ATOM 892 CE1 HIS A 63 2.646 10.474 3.676 1.00 0.00 C ATOM 893 NE2 HIS A 63 3.833 10.371 4.279 1.00 0.00 N ATOM 0 H HIS A 63 2.031 7.062 7.650 1.00 0.00 H new ATOM 0 HA HIS A 63 0.233 7.771 5.410 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.993 6.462 5.260 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.882 6.564 3.908 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.673 8.669 5.384 1.00 0.00 H new ATOM 0 HE1 HIS A 63 2.308 11.355 3.150 1.00 0.00 H new ATOM 0 HE2 HIS A 63 4.566 11.079 4.331 1.00 0.00 H new ATOM 901 N PHE A 64 -0.735 5.491 5.276 1.00 0.00 N ATOM 902 CA PHE A 64 -1.416 4.191 5.271 1.00 0.00 C ATOM 903 C PHE A 64 -1.532 3.660 3.847 1.00 0.00 C ATOM 904 O PHE A 64 -2.048 4.351 2.970 1.00 0.00 O ATOM 905 CB PHE A 64 -2.815 4.327 5.880 1.00 0.00 C ATOM 906 CG PHE A 64 -2.706 4.641 7.355 1.00 0.00 C ATOM 907 CD1 PHE A 64 -2.532 5.963 7.780 1.00 0.00 C ATOM 908 CD2 PHE A 64 -2.790 3.609 8.296 1.00 0.00 C ATOM 909 CE1 PHE A 64 -2.440 6.249 9.148 1.00 0.00 C ATOM 910 CE2 PHE A 64 -2.697 3.896 9.662 1.00 0.00 C ATOM 911 CZ PHE A 64 -2.521 5.216 10.089 1.00 0.00 C ATOM 0 H PHE A 64 -1.202 6.206 4.718 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.829 3.492 5.867 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.367 5.117 5.371 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -3.375 3.403 5.736 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -2.469 6.761 7.055 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.927 2.589 7.967 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.306 7.269 9.477 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.761 3.098 10.387 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.448 5.438 11.143 1.00 0.00 H new ATOM 921 N THR A 65 -1.053 2.424 3.620 1.00 0.00 N ATOM 922 CA THR A 65 -1.117 1.816 2.285 1.00 0.00 C ATOM 923 C THR A 65 -1.725 0.417 2.334 1.00 0.00 C ATOM 924 O THR A 65 -1.403 -0.387 3.217 1.00 0.00 O ATOM 925 CB THR A 65 0.288 1.742 1.667 1.00 0.00 C ATOM 926 OG1 THR A 65 1.137 0.978 2.513 1.00 0.00 O ATOM 927 CG2 THR A 65 0.858 3.152 1.500 1.00 0.00 C ATOM 0 H THR A 65 -0.624 1.836 4.334 1.00 0.00 H new ATOM 0 HA THR A 65 -1.757 2.446 1.668 1.00 0.00 H new ATOM 0 HB THR A 65 0.227 1.266 0.688 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.755 0.944 3.415 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.854 3.092 1.061 1.00 0.00 H new ATOM 0 HG22 THR A 65 0.208 3.732 0.845 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.919 3.638 2.474 1.00 0.00 H new ATOM 935 N CYS A 66 -2.563 0.122 1.337 1.00 0.00 N ATOM 936 CA CYS A 66 -3.187 -1.197 1.201 1.00 0.00 C ATOM 937 C CYS A 66 -3.063 -1.698 -0.238 1.00 0.00 C ATOM 938 O CYS A 66 -3.347 -0.954 -1.181 1.00 0.00 O ATOM 939 CB CYS A 66 -4.663 -1.136 1.612 1.00 0.00 C ATOM 940 SG CYS A 66 -4.786 -0.659 3.364 1.00 0.00 S ATOM 0 H CYS A 66 -2.827 0.784 0.607 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.669 -1.893 1.861 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.195 -0.416 0.990 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.136 -2.105 1.454 1.00 0.00 H new ATOM 945 N THR A 67 -2.612 -2.954 -0.402 1.00 0.00 N ATOM 946 CA THR A 67 -2.427 -3.531 -1.747 1.00 0.00 C ATOM 947 C THR A 67 -3.065 -4.926 -1.852 1.00 0.00 C ATOM 948 O THR A 67 -2.864 -5.780 -0.983 1.00 0.00 O ATOM 949 CB THR A 67 -0.924 -3.602 -2.071 1.00 0.00 C ATOM 950 OG1 THR A 67 -0.357 -2.306 -1.934 1.00 0.00 O ATOM 951 CG2 THR A 67 -0.702 -4.093 -3.517 1.00 0.00 C ATOM 0 H THR A 67 -2.372 -3.581 0.366 1.00 0.00 H new ATOM 0 HA THR A 67 -2.926 -2.887 -2.471 1.00 0.00 H new ATOM 0 HB THR A 67 -0.450 -4.301 -1.382 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.601 -2.345 -2.138 1.00 0.00 H new ATOM 0 HG21 THR A 67 0.367 -4.136 -3.727 1.00 0.00 H new ATOM 0 HG22 THR A 67 -1.135 -5.086 -3.635 1.00 0.00 H new ATOM 0 HG23 THR A 67 -1.180 -3.404 -4.213 1.00 0.00 H new ATOM 959 N ILE A 68 -3.825 -5.145 -2.938 1.00 0.00 N ATOM 960 CA ILE A 68 -4.487 -6.444 -3.178 1.00 0.00 C ATOM 961 C ILE A 68 -4.114 -6.974 -4.580 1.00 0.00 C ATOM 962 O ILE A 68 -4.330 -6.281 -5.580 1.00 0.00 O ATOM 963 CB ILE A 68 -6.031 -6.279 -3.070 1.00 0.00 C ATOM 964 CG1 ILE A 68 -6.393 -5.711 -1.676 1.00 0.00 C ATOM 965 CG2 ILE A 68 -6.718 -7.657 -3.255 1.00 0.00 C ATOM 966 CD1 ILE A 68 -7.854 -5.239 -1.660 1.00 0.00 C ATOM 0 H ILE A 68 -3.997 -4.446 -3.661 1.00 0.00 H new ATOM 0 HA ILE A 68 -4.151 -7.158 -2.426 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.375 -5.595 -3.846 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -6.241 -6.475 -0.913 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -5.732 -4.880 -1.431 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -7.799 -7.538 -3.179 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.466 -8.061 -4.236 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -6.373 -8.342 -2.481 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.097 -4.842 -0.675 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -7.993 -4.460 -2.410 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -8.510 -6.080 -1.884 1.00 0.00 H new ATOM 978 N TRP A 69 -3.587 -8.217 -4.648 1.00 0.00 N ATOM 979 CA TRP A 69 -3.230 -8.822 -5.951 1.00 0.00 C ATOM 980 C TRP A 69 -3.225 -10.365 -5.896 1.00 0.00 C ATOM 981 O TRP A 69 -3.151 -10.964 -4.817 1.00 0.00 O ATOM 982 CB TRP A 69 -1.848 -8.296 -6.448 1.00 0.00 C ATOM 983 CG TRP A 69 -0.723 -8.865 -5.625 1.00 0.00 C ATOM 984 CD1 TRP A 69 0.047 -9.918 -5.988 1.00 0.00 C ATOM 985 CD2 TRP A 69 -0.261 -8.451 -4.322 1.00 0.00 C ATOM 986 NE1 TRP A 69 0.964 -10.163 -4.986 1.00 0.00 N ATOM 987 CE2 TRP A 69 0.812 -9.286 -3.934 1.00 0.00 C ATOM 988 CE3 TRP A 69 -0.663 -7.437 -3.449 1.00 0.00 C ATOM 989 CZ2 TRP A 69 1.464 -9.120 -2.722 1.00 0.00 C ATOM 990 CZ3 TRP A 69 -0.010 -7.264 -2.217 1.00 0.00 C ATOM 991 CH2 TRP A 69 1.054 -8.109 -1.857 1.00 0.00 C ATOM 0 H TRP A 69 -3.403 -8.809 -3.838 1.00 0.00 H new ATOM 0 HA TRP A 69 -4.000 -8.521 -6.661 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -1.708 -8.565 -7.495 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -1.829 -7.208 -6.393 1.00 0.00 H new ATOM 0 HD1 TRP A 69 -0.042 -10.474 -6.909 1.00 0.00 H new ATOM 0 HE1 TRP A 69 1.667 -10.901 -5.020 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -1.479 -6.784 -3.722 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 2.283 -9.770 -2.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -0.326 -6.480 -1.545 1.00 0.00 H new ATOM 0 HH2 TRP A 69 1.554 -7.974 -0.909 1.00 0.00 H new ATOM 1002 N ARG A 70 -3.211 -10.977 -7.081 1.00 0.00 N ATOM 1003 CA ARG A 70 -3.106 -12.425 -7.218 1.00 0.00 C ATOM 1004 C ARG A 70 -1.600 -12.820 -7.281 1.00 0.00 C ATOM 1005 O ARG A 70 -0.855 -12.216 -8.061 1.00 0.00 O ATOM 1006 CB ARG A 70 -3.820 -12.874 -8.506 1.00 0.00 C ATOM 1007 CG ARG A 70 -3.764 -14.403 -8.648 1.00 0.00 C ATOM 1008 CD ARG A 70 -4.811 -15.053 -7.743 1.00 0.00 C ATOM 1009 NE ARG A 70 -4.625 -16.517 -7.727 1.00 0.00 N ATOM 1010 CZ ARG A 70 -4.952 -17.319 -8.774 1.00 0.00 C ATOM 1011 NH1 ARG A 70 -5.447 -16.823 -9.890 1.00 0.00 N ATOM 1012 NH2 ARG A 70 -4.772 -18.606 -8.672 1.00 0.00 N ATOM 0 H ARG A 70 -3.272 -10.481 -7.970 1.00 0.00 H new ATOM 0 HA ARG A 70 -3.576 -12.913 -6.364 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -4.858 -12.542 -8.488 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.351 -12.405 -9.371 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.942 -14.687 -9.685 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.770 -14.764 -8.385 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.726 -14.656 -6.731 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -5.812 -14.809 -8.098 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.232 -16.947 -6.890 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -5.592 -15.817 -9.981 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.685 -17.445 -10.663 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -4.389 -19.001 -7.813 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.014 -19.218 -9.451 1.00 0.00 H new ATOM 1026 N PRO A 71 -1.122 -13.801 -6.476 1.00 0.00 N ATOM 1027 CA PRO A 71 0.327 -14.196 -6.494 1.00 0.00 C ATOM 1028 C PRO A 71 0.709 -14.810 -7.839 1.00 0.00 C ATOM 1029 O PRO A 71 1.792 -14.549 -8.370 1.00 0.00 O ATOM 1030 CB PRO A 71 0.437 -15.227 -5.369 1.00 0.00 C ATOM 1031 CG PRO A 71 -0.938 -15.780 -5.217 1.00 0.00 C ATOM 1032 CD PRO A 71 -1.886 -14.625 -5.505 1.00 0.00 C ATOM 0 HA PRO A 71 0.997 -13.348 -6.355 1.00 0.00 H new ATOM 0 HB2 PRO A 71 1.152 -16.010 -5.620 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.782 -14.766 -4.443 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.106 -16.605 -5.909 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -1.093 -16.171 -4.211 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.830 -14.973 -5.925 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -2.126 -14.065 -4.601 1.00 0.00 H new ATOM 1040 N GLN A 72 -0.232 -15.562 -8.413 1.00 0.00 N ATOM 1041 CA GLN A 72 -0.061 -16.150 -9.736 1.00 0.00 C ATOM 1042 C GLN A 72 -0.043 -15.063 -10.812 1.00 0.00 C ATOM 1043 O GLN A 72 0.723 -15.137 -11.775 1.00 0.00 O ATOM 1044 CB GLN A 72 -1.171 -17.165 -10.008 1.00 0.00 C ATOM 1045 CG GLN A 72 -0.952 -18.399 -9.122 1.00 0.00 C ATOM 1046 CD GLN A 72 -2.026 -19.449 -9.394 1.00 0.00 C ATOM 1047 OE1 GLN A 72 -2.451 -19.626 -10.536 1.00 0.00 O ATOM 1048 NE2 GLN A 72 -2.485 -20.168 -8.407 1.00 0.00 N ATOM 0 H GLN A 72 -1.127 -15.778 -7.974 1.00 0.00 H new ATOM 0 HA GLN A 72 0.897 -16.668 -9.766 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -2.145 -16.722 -9.801 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -1.169 -17.452 -11.060 1.00 0.00 H new ATOM 0 HG2 GLN A 72 0.035 -18.821 -9.313 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -0.976 -18.109 -8.072 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -2.132 -20.021 -7.461 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -3.197 -20.878 -8.581 1.00 0.00 H new ATOM 1057 N GLY A 73 -0.882 -14.039 -10.616 1.00 0.00 N ATOM 1058 CA GLY A 73 -0.966 -12.904 -11.538 1.00 0.00 C ATOM 1059 C GLY A 73 -2.195 -12.976 -12.456 1.00 0.00 C ATOM 1060 O GLY A 73 -2.595 -11.955 -13.030 1.00 0.00 O ATOM 0 H GLY A 73 -1.516 -13.975 -9.820 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.999 -11.977 -10.965 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -0.063 -12.869 -12.148 1.00 0.00 H new ATOM 1064 N LYS A 74 -2.801 -14.174 -12.589 1.00 0.00 N ATOM 1065 CA LYS A 74 -3.989 -14.332 -13.438 1.00 0.00 C ATOM 1066 C LYS A 74 -5.018 -15.283 -12.823 1.00 0.00 C ATOM 1067 O LYS A 74 -4.702 -16.423 -12.478 1.00 0.00 O ATOM 1068 CB LYS A 74 -3.595 -14.820 -14.840 1.00 0.00 C ATOM 1069 CG LYS A 74 -2.802 -16.139 -14.752 1.00 0.00 C ATOM 1070 CD LYS A 74 -2.358 -16.576 -16.157 1.00 0.00 C ATOM 1071 CE LYS A 74 -1.185 -15.705 -16.626 1.00 0.00 C ATOM 1072 NZ LYS A 74 -0.710 -16.183 -17.954 1.00 0.00 N ATOM 0 H LYS A 74 -2.491 -15.029 -12.127 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.453 -13.349 -13.517 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.490 -14.967 -15.445 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -2.994 -14.060 -15.340 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -1.931 -16.008 -14.110 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.419 -16.915 -14.298 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.062 -17.625 -16.145 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.190 -16.488 -16.855 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.497 -14.663 -16.693 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.373 -15.749 -15.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.085 -15.592 -18.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.397 -17.172 -17.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -1.486 -16.119 -18.644 1.00 0.00 H new ATOM 1086 N SER A 75 -6.265 -14.806 -12.741 1.00 0.00 N ATOM 1087 CA SER A 75 -7.383 -15.606 -12.234 1.00 0.00 C ATOM 1088 C SER A 75 -8.451 -15.761 -13.317 1.00 0.00 C ATOM 1089 O SER A 75 -8.759 -14.792 -14.023 1.00 0.00 O ATOM 1090 CB SER A 75 -7.995 -14.943 -11.000 1.00 0.00 C ATOM 1091 OG SER A 75 -9.122 -15.698 -10.571 1.00 0.00 O ATOM 0 H SER A 75 -6.526 -13.861 -13.022 1.00 0.00 H new ATOM 0 HA SER A 75 -7.006 -16.591 -11.957 1.00 0.00 H new ATOM 0 HB2 SER A 75 -7.256 -14.884 -10.201 1.00 0.00 H new ATOM 0 HB3 SER A 75 -8.295 -13.921 -11.233 1.00 0.00 H new ATOM 0 HG SER A 75 -9.516 -15.276 -9.779 1.00 0.00 H new ATOM 1097 N TYR A 76 -9.025 -16.974 -13.445 1.00 0.00 N ATOM 1098 CA TYR A 76 -10.068 -17.209 -14.453 1.00 0.00 C ATOM 1099 C TYR A 76 -11.465 -16.997 -13.849 1.00 0.00 C ATOM 1100 O TYR A 76 -12.120 -17.944 -13.398 1.00 0.00 O ATOM 1101 CB TYR A 76 -9.942 -18.635 -15.023 1.00 0.00 C ATOM 1102 CG TYR A 76 -10.865 -18.797 -16.216 1.00 0.00 C ATOM 1103 CD1 TYR A 76 -10.469 -18.335 -17.477 1.00 0.00 C ATOM 1104 CD2 TYR A 76 -12.117 -19.410 -16.058 1.00 0.00 C ATOM 1105 CE1 TYR A 76 -11.323 -18.484 -18.578 1.00 0.00 C ATOM 1106 CE2 TYR A 76 -12.969 -19.559 -17.159 1.00 0.00 C ATOM 1107 CZ TYR A 76 -12.572 -19.096 -18.419 1.00 0.00 C ATOM 1108 OH TYR A 76 -13.412 -19.242 -19.504 1.00 0.00 O ATOM 0 H TYR A 76 -8.789 -17.787 -12.876 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.934 -16.492 -15.263 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -8.911 -18.827 -15.321 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -10.194 -19.367 -14.255 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.505 -17.864 -17.601 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.424 -19.767 -15.086 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.017 -18.126 -19.550 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -13.933 -20.031 -17.036 1.00 0.00 H new ATOM 0 HH TYR A 76 -14.238 -19.687 -19.221 1.00 0.00 H new ATOM 1118 N LEU A 77 -11.916 -15.745 -13.885 1.00 0.00 N ATOM 1119 CA LEU A 77 -13.242 -15.369 -13.396 1.00 0.00 C ATOM 1120 C LEU A 77 -13.853 -14.296 -14.282 1.00 0.00 C ATOM 1121 O LEU A 77 -13.129 -13.431 -14.795 1.00 0.00 O ATOM 1122 CB LEU A 77 -13.157 -14.853 -11.950 1.00 0.00 C ATOM 1123 CG LEU A 77 -13.065 -16.026 -10.960 1.00 0.00 C ATOM 1124 CD1 LEU A 77 -12.639 -15.497 -9.587 1.00 0.00 C ATOM 1125 CD2 LEU A 77 -14.445 -16.696 -10.837 1.00 0.00 C ATOM 0 H LEU A 77 -11.374 -14.963 -14.253 1.00 0.00 H new ATOM 0 HA LEU A 77 -13.875 -16.256 -13.422 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -12.286 -14.208 -11.839 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.034 -14.246 -11.723 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.334 -16.751 -11.318 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.573 -16.326 -8.882 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -11.666 -15.012 -9.670 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -13.375 -14.776 -9.231 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -14.384 -17.528 -10.136 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -15.172 -15.969 -10.475 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -14.758 -17.066 -11.813 1.00 0.00 H new ATOM 1137 N TYR A 78 -15.192 -14.291 -14.393 1.00 0.00 N ATOM 1138 CA TYR A 78 -15.875 -13.245 -15.138 1.00 0.00 C ATOM 1139 C TYR A 78 -16.359 -12.188 -14.153 1.00 0.00 C ATOM 1140 O TYR A 78 -17.463 -12.281 -13.619 1.00 0.00 O ATOM 1141 CB TYR A 78 -17.049 -13.839 -15.925 1.00 0.00 C ATOM 1142 CG TYR A 78 -17.621 -12.797 -16.861 1.00 0.00 C ATOM 1143 CD1 TYR A 78 -17.041 -12.592 -18.120 1.00 0.00 C ATOM 1144 CD2 TYR A 78 -18.730 -12.036 -16.470 1.00 0.00 C ATOM 1145 CE1 TYR A 78 -17.570 -11.629 -18.987 1.00 0.00 C ATOM 1146 CE2 TYR A 78 -19.258 -11.073 -17.337 1.00 0.00 C ATOM 1147 CZ TYR A 78 -18.679 -10.869 -18.595 1.00 0.00 C ATOM 1148 OH TYR A 78 -19.201 -9.920 -19.450 1.00 0.00 O ATOM 0 H TYR A 78 -15.806 -14.992 -13.980 1.00 0.00 H new ATOM 0 HA TYR A 78 -15.193 -12.787 -15.855 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -16.715 -14.707 -16.493 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -17.821 -14.186 -15.238 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -16.185 -13.178 -18.422 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -19.177 -12.192 -15.500 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -17.123 -11.472 -19.958 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -20.113 -10.486 -17.035 1.00 0.00 H new ATOM 0 HH TYR A 78 -20.092 -9.655 -19.140 1.00 0.00 H new ATOM 1158 N PHE A 79 -15.489 -11.214 -13.875 1.00 0.00 N ATOM 1159 CA PHE A 79 -15.792 -10.173 -12.895 1.00 0.00 C ATOM 1160 C PHE A 79 -16.816 -9.208 -13.440 1.00 0.00 C ATOM 1161 O PHE A 79 -16.655 -8.691 -14.548 1.00 0.00 O ATOM 1162 CB PHE A 79 -14.522 -9.393 -12.526 1.00 0.00 C ATOM 1163 CG PHE A 79 -13.561 -10.284 -11.771 1.00 0.00 C ATOM 1164 CD1 PHE A 79 -12.507 -10.912 -12.448 1.00 0.00 C ATOM 1165 CD2 PHE A 79 -13.718 -10.474 -10.393 1.00 0.00 C ATOM 1166 CE1 PHE A 79 -11.612 -11.727 -11.747 1.00 0.00 C ATOM 1167 CE2 PHE A 79 -12.824 -11.291 -9.692 1.00 0.00 C ATOM 1168 CZ PHE A 79 -11.772 -11.919 -10.369 1.00 0.00 C ATOM 0 H PHE A 79 -14.573 -11.126 -14.314 1.00 0.00 H new ATOM 0 HA PHE A 79 -16.192 -10.662 -12.006 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -14.044 -9.014 -13.429 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -14.782 -8.528 -11.916 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -12.386 -10.767 -13.511 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -14.530 -9.990 -9.871 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -10.798 -12.208 -12.268 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -12.946 -11.437 -8.629 1.00 0.00 H new ATOM 0 HZ PHE A 79 -11.084 -12.552 -9.829 1.00 0.00 H new ATOM 1178 N THR A 80 -17.841 -8.916 -12.632 1.00 0.00 N ATOM 1179 CA THR A 80 -18.846 -7.935 -13.021 1.00 0.00 C ATOM 1180 C THR A 80 -18.234 -6.532 -12.918 1.00 0.00 C ATOM 1181 O THR A 80 -18.380 -5.711 -13.822 1.00 0.00 O ATOM 1182 CB THR A 80 -20.088 -8.058 -12.114 1.00 0.00 C ATOM 1183 OG1 THR A 80 -20.611 -9.377 -12.217 1.00 0.00 O ATOM 1184 CG2 THR A 80 -21.170 -7.057 -12.549 1.00 0.00 C ATOM 0 H THR A 80 -17.991 -9.341 -11.717 1.00 0.00 H new ATOM 0 HA THR A 80 -19.162 -8.115 -14.049 1.00 0.00 H new ATOM 0 HB THR A 80 -19.797 -7.844 -11.085 1.00 0.00 H new ATOM 0 HG1 THR A 80 -21.400 -9.462 -11.641 1.00 0.00 H new ATOM 0 HG21 THR A 80 -22.040 -7.156 -11.899 1.00 0.00 H new ATOM 0 HG22 THR A 80 -20.777 -6.043 -12.477 1.00 0.00 H new ATOM 0 HG23 THR A 80 -21.461 -7.261 -13.579 1.00 0.00 H new ATOM 1192 N GLN A 81 -17.494 -6.306 -11.823 1.00 0.00 N ATOM 1193 CA GLN A 81 -16.778 -5.046 -11.584 1.00 0.00 C ATOM 1194 C GLN A 81 -16.121 -5.079 -10.215 1.00 0.00 C ATOM 1195 O GLN A 81 -16.475 -5.915 -9.375 1.00 0.00 O ATOM 1196 CB GLN A 81 -17.716 -3.816 -11.698 1.00 0.00 C ATOM 1197 CG GLN A 81 -18.887 -3.942 -10.715 1.00 0.00 C ATOM 1198 CD GLN A 81 -19.861 -2.785 -10.916 1.00 0.00 C ATOM 1199 OE1 GLN A 81 -19.479 -1.621 -10.790 1.00 0.00 O ATOM 1200 NE2 GLN A 81 -21.104 -3.036 -11.223 1.00 0.00 N ATOM 0 H GLN A 81 -17.375 -6.993 -11.078 1.00 0.00 H new ATOM 0 HA GLN A 81 -16.014 -4.946 -12.355 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -17.156 -2.904 -11.491 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -18.095 -3.733 -12.716 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -19.400 -4.891 -10.867 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -18.515 -3.942 -9.691 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -21.419 -4.001 -11.327 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -21.761 -2.268 -11.359 1.00 0.00 H new ATOM 1209 N PHE A 82 -15.180 -4.160 -9.982 1.00 0.00 N ATOM 1210 CA PHE A 82 -14.494 -4.087 -8.686 1.00 0.00 C ATOM 1211 C PHE A 82 -14.342 -2.663 -8.218 1.00 0.00 C ATOM 1212 O PHE A 82 -14.281 -1.734 -9.033 1.00 0.00 O ATOM 1213 CB PHE A 82 -13.135 -4.777 -8.750 1.00 0.00 C ATOM 1214 CG PHE A 82 -12.251 -4.146 -9.814 1.00 0.00 C ATOM 1215 CD1 PHE A 82 -11.419 -3.072 -9.486 1.00 0.00 C ATOM 1216 CD2 PHE A 82 -12.270 -4.644 -11.121 1.00 0.00 C ATOM 1217 CE1 PHE A 82 -10.602 -2.494 -10.466 1.00 0.00 C ATOM 1218 CE2 PHE A 82 -11.454 -4.068 -12.102 1.00 0.00 C ATOM 1219 CZ PHE A 82 -10.621 -2.992 -11.774 1.00 0.00 C ATOM 0 H PHE A 82 -14.877 -3.464 -10.663 1.00 0.00 H new ATOM 0 HA PHE A 82 -15.115 -4.611 -7.959 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -12.644 -4.711 -7.779 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -13.271 -5.836 -8.967 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -11.406 -2.688 -8.477 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -12.914 -5.473 -11.373 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -9.958 -1.665 -10.213 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -11.467 -4.453 -13.111 1.00 0.00 H new ATOM 0 HZ PHE A 82 -9.993 -2.546 -12.531 1.00 0.00 H new ATOM 1229 N LYS A 83 -14.341 -2.488 -6.893 1.00 0.00 N ATOM 1230 CA LYS A 83 -14.274 -1.152 -6.305 1.00 0.00 C ATOM 1231 C LYS A 83 -13.475 -1.184 -5.007 1.00 0.00 C ATOM 1232 O LYS A 83 -13.485 -2.194 -4.296 1.00 0.00 O ATOM 1233 CB LYS A 83 -15.703 -0.619 -6.039 1.00 0.00 C ATOM 1234 CG LYS A 83 -16.563 -0.792 -7.308 1.00 0.00 C ATOM 1235 CD LYS A 83 -17.876 -0.023 -7.166 1.00 0.00 C ATOM 1236 CE LYS A 83 -18.720 -0.226 -8.426 1.00 0.00 C ATOM 1237 NZ LYS A 83 -20.001 0.525 -8.288 1.00 0.00 N ATOM 0 H LYS A 83 -14.385 -3.249 -6.215 1.00 0.00 H new ATOM 0 HA LYS A 83 -13.772 -0.485 -7.006 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -16.154 -1.158 -5.205 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -15.663 0.433 -5.755 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -16.015 -0.432 -8.179 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -16.769 -1.849 -7.475 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -18.422 -0.371 -6.289 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -17.675 1.038 -7.016 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -18.174 0.122 -9.303 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -18.921 -1.287 -8.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -20.606 0.335 -9.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -20.490 0.221 -7.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -19.802 1.544 -8.233 1.00 0.00 H new ATOM 1251 N ALA A 84 -12.802 -0.073 -4.694 1.00 0.00 N ATOM 1252 CA ALA A 84 -12.006 0.024 -3.471 1.00 0.00 C ATOM 1253 C ALA A 84 -12.110 1.415 -2.871 1.00 0.00 C ATOM 1254 O ALA A 84 -12.204 2.410 -3.599 1.00 0.00 O ATOM 1255 CB ALA A 84 -10.541 -0.305 -3.766 1.00 0.00 C ATOM 0 H ALA A 84 -12.793 0.769 -5.270 1.00 0.00 H new ATOM 0 HA ALA A 84 -12.397 -0.696 -2.752 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -9.959 -0.229 -2.848 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.468 -1.319 -4.159 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -10.151 0.399 -4.502 1.00 0.00 H new ATOM 1261 N GLU A 85 -12.099 1.478 -1.538 1.00 0.00 N ATOM 1262 CA GLU A 85 -12.201 2.749 -0.825 1.00 0.00 C ATOM 1263 C GLU A 85 -11.575 2.625 0.566 1.00 0.00 C ATOM 1264 O GLU A 85 -11.451 1.521 1.085 1.00 0.00 O ATOM 1265 CB GLU A 85 -13.682 3.179 -0.727 1.00 0.00 C ATOM 1266 CG GLU A 85 -14.495 2.122 0.055 1.00 0.00 C ATOM 1267 CD GLU A 85 -15.940 2.582 0.228 1.00 0.00 C ATOM 1268 OE1 GLU A 85 -16.141 3.743 0.543 1.00 0.00 O ATOM 1269 OE2 GLU A 85 -16.826 1.763 0.041 1.00 0.00 O ATOM 0 H GLU A 85 -12.020 0.662 -0.932 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.655 3.515 -1.376 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -13.755 4.146 -0.229 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -14.099 3.303 -1.726 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.471 1.170 -0.476 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.041 1.954 1.032 1.00 0.00 H new ATOM 1276 N VAL A 86 -11.193 3.765 1.165 1.00 0.00 N ATOM 1277 CA VAL A 86 -10.593 3.754 2.507 1.00 0.00 C ATOM 1278 C VAL A 86 -11.243 4.771 3.431 1.00 0.00 C ATOM 1279 O VAL A 86 -11.983 5.653 2.981 1.00 0.00 O ATOM 1280 CB VAL A 86 -9.084 3.994 2.455 1.00 0.00 C ATOM 1281 CG1 VAL A 86 -8.401 2.879 1.644 1.00 0.00 C ATOM 1282 CG2 VAL A 86 -8.775 5.357 1.810 1.00 0.00 C ATOM 0 H VAL A 86 -11.287 4.691 0.748 1.00 0.00 H new ATOM 0 HA VAL A 86 -10.774 2.758 2.912 1.00 0.00 H new ATOM 0 HB VAL A 86 -8.701 3.990 3.475 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -7.326 3.058 1.612 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -8.594 1.915 2.116 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -8.798 2.872 0.629 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -7.696 5.510 1.782 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -9.171 5.377 0.795 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -9.239 6.150 2.396 1.00 0.00 H new ATOM 1292 N ARG A 87 -10.991 4.609 4.734 1.00 0.00 N ATOM 1293 CA ARG A 87 -11.586 5.486 5.748 1.00 0.00 C ATOM 1294 C ARG A 87 -10.583 5.904 6.811 1.00 0.00 C ATOM 1295 O ARG A 87 -9.564 5.240 7.025 1.00 0.00 O ATOM 1296 CB ARG A 87 -12.747 4.781 6.406 1.00 0.00 C ATOM 1297 CG ARG A 87 -13.862 4.597 5.385 1.00 0.00 C ATOM 1298 CD ARG A 87 -14.889 3.667 5.958 1.00 0.00 C ATOM 1299 NE ARG A 87 -16.023 3.511 5.025 1.00 0.00 N ATOM 1300 CZ ARG A 87 -17.114 2.748 5.297 1.00 0.00 C ATOM 1301 NH1 ARG A 87 -17.231 2.101 6.441 1.00 0.00 N ATOM 1302 NH2 ARG A 87 -18.066 2.655 4.409 1.00 0.00 N ATOM 0 H ARG A 87 -10.382 3.882 5.110 1.00 0.00 H new ATOM 0 HA ARG A 87 -11.925 6.389 5.240 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.429 3.813 6.793 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -13.107 5.362 7.255 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -14.316 5.558 5.143 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -13.461 4.191 4.456 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -14.437 2.695 6.157 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -15.246 4.054 6.912 1.00 0.00 H new ATOM 0 HE ARG A 87 -15.985 4.001 4.131 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -16.494 2.168 7.142 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -18.059 1.534 6.624 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -17.986 3.152 3.522 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -18.890 2.085 4.602 1.00 0.00 H new ATOM 1316 N GLY A 88 -10.911 7.003 7.493 1.00 0.00 N ATOM 1317 CA GLY A 88 -10.074 7.532 8.577 1.00 0.00 C ATOM 1318 C GLY A 88 -8.891 8.370 8.062 1.00 0.00 C ATOM 1319 O GLY A 88 -8.081 8.853 8.858 1.00 0.00 O ATOM 0 H GLY A 88 -11.754 7.548 7.314 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -10.687 8.145 9.237 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -9.694 6.703 9.174 1.00 0.00 H new ATOM 1323 N ALA A 89 -8.789 8.521 6.735 1.00 0.00 N ATOM 1324 CA ALA A 89 -7.703 9.270 6.125 1.00 0.00 C ATOM 1325 C ALA A 89 -8.083 9.708 4.723 1.00 0.00 C ATOM 1326 O ALA A 89 -9.099 9.261 4.178 1.00 0.00 O ATOM 1327 CB ALA A 89 -6.440 8.408 6.071 1.00 0.00 C ATOM 0 H ALA A 89 -9.453 8.129 6.068 1.00 0.00 H new ATOM 0 HA ALA A 89 -7.510 10.156 6.730 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -5.631 8.976 5.613 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -6.153 8.119 7.082 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -6.635 7.513 5.480 1.00 0.00 H new ATOM 1333 N GLU A 90 -7.246 10.559 4.128 1.00 0.00 N ATOM 1334 CA GLU A 90 -7.472 11.033 2.764 1.00 0.00 C ATOM 1335 C GLU A 90 -6.537 10.312 1.808 1.00 0.00 C ATOM 1336 O GLU A 90 -5.417 9.955 2.178 1.00 0.00 O ATOM 1337 CB GLU A 90 -7.272 12.560 2.669 1.00 0.00 C ATOM 1338 CG GLU A 90 -5.853 12.954 3.141 1.00 0.00 C ATOM 1339 CD GLU A 90 -5.636 14.483 3.066 1.00 0.00 C ATOM 1340 OE1 GLU A 90 -6.456 15.171 2.463 1.00 0.00 O ATOM 1341 OE2 GLU A 90 -4.649 14.941 3.618 1.00 0.00 O ATOM 0 H GLU A 90 -6.406 10.933 4.570 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.503 10.814 2.486 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -7.423 12.889 1.641 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -8.018 13.069 3.279 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -5.701 12.614 4.165 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.110 12.449 2.524 1.00 0.00 H new ATOM 1348 N ILE A 91 -7.031 10.043 0.603 1.00 0.00 N ATOM 1349 CA ILE A 91 -6.269 9.292 -0.394 1.00 0.00 C ATOM 1350 C ILE A 91 -5.389 10.233 -1.214 1.00 0.00 C ATOM 1351 O ILE A 91 -5.895 11.122 -1.907 1.00 0.00 O ATOM 1352 CB ILE A 91 -7.239 8.505 -1.325 1.00 0.00 C ATOM 1353 CG1 ILE A 91 -8.103 7.537 -0.475 1.00 0.00 C ATOM 1354 CG2 ILE A 91 -6.431 7.682 -2.355 1.00 0.00 C ATOM 1355 CD1 ILE A 91 -9.273 6.989 -1.314 1.00 0.00 C ATOM 0 H ILE A 91 -7.958 10.334 0.291 1.00 0.00 H new ATOM 0 HA ILE A 91 -5.623 8.581 0.121 1.00 0.00 H new ATOM 0 HB ILE A 91 -7.880 9.215 -1.848 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -7.489 6.713 -0.113 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -8.488 8.057 0.402 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -7.117 7.135 -3.002 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -5.820 8.353 -2.959 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -5.786 6.977 -1.831 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -9.871 6.311 -0.705 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -9.896 7.816 -1.654 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -8.881 6.451 -2.177 1.00 0.00 H new ATOM 1367 N GLU A 92 -4.072 9.985 -1.174 1.00 0.00 N ATOM 1368 CA GLU A 92 -3.130 10.769 -1.963 1.00 0.00 C ATOM 1369 C GLU A 92 -3.087 10.262 -3.399 1.00 0.00 C ATOM 1370 O GLU A 92 -2.979 11.055 -4.341 1.00 0.00 O ATOM 1371 CB GLU A 92 -1.724 10.706 -1.366 1.00 0.00 C ATOM 1372 CG GLU A 92 -1.673 11.496 -0.050 1.00 0.00 C ATOM 1373 CD GLU A 92 -0.230 11.556 0.509 1.00 0.00 C ATOM 1374 OE1 GLU A 92 0.623 10.810 0.035 1.00 0.00 O ATOM 1375 OE2 GLU A 92 -0.001 12.362 1.389 1.00 0.00 O ATOM 0 H GLU A 92 -3.644 9.253 -0.607 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.472 11.804 -1.951 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.443 9.668 -1.187 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -1.002 11.115 -2.073 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.045 12.507 -0.215 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.331 11.030 0.683 1.00 0.00 H new ATOM 1382 N TYR A 93 -3.179 8.929 -3.562 1.00 0.00 N ATOM 1383 CA TYR A 93 -3.157 8.318 -4.888 1.00 0.00 C ATOM 1384 C TYR A 93 -3.619 6.861 -4.821 1.00 0.00 C ATOM 1385 O TYR A 93 -3.192 6.105 -3.942 1.00 0.00 O ATOM 1386 CB TYR A 93 -1.738 8.384 -5.469 1.00 0.00 C ATOM 1387 CG TYR A 93 -1.785 8.399 -6.987 1.00 0.00 C ATOM 1388 CD1 TYR A 93 -2.038 9.601 -7.662 1.00 0.00 C ATOM 1389 CD2 TYR A 93 -1.576 7.221 -7.712 1.00 0.00 C ATOM 1390 CE1 TYR A 93 -2.080 9.623 -9.060 1.00 0.00 C ATOM 1391 CE2 TYR A 93 -1.620 7.245 -9.112 1.00 0.00 C ATOM 1392 CZ TYR A 93 -1.872 8.445 -9.784 1.00 0.00 C ATOM 1393 OH TYR A 93 -1.912 8.468 -11.163 1.00 0.00 O ATOM 0 H TYR A 93 -3.268 8.265 -2.793 1.00 0.00 H new ATOM 0 HA TYR A 93 -3.840 8.870 -5.533 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -1.231 9.278 -5.106 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.158 7.527 -5.126 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -2.201 10.510 -7.103 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -1.381 6.294 -7.193 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -2.273 10.550 -9.580 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -1.459 6.336 -9.673 1.00 0.00 H new ATOM 0 HH TYR A 93 -1.746 7.567 -11.510 1.00 0.00 H new ATOM 1403 N ALA A 94 -4.465 6.474 -5.774 1.00 0.00 N ATOM 1404 CA ALA A 94 -4.969 5.103 -5.865 1.00 0.00 C ATOM 1405 C ALA A 94 -5.085 4.686 -7.326 1.00 0.00 C ATOM 1406 O ALA A 94 -5.514 5.480 -8.171 1.00 0.00 O ATOM 1407 CB ALA A 94 -6.336 4.998 -5.188 1.00 0.00 C ATOM 0 H ALA A 94 -4.819 7.096 -6.501 1.00 0.00 H new ATOM 0 HA ALA A 94 -4.270 4.439 -5.358 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -6.701 3.974 -5.262 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -6.244 5.276 -4.138 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -7.039 5.670 -5.681 1.00 0.00 H new ATOM 1413 N MET A 95 -4.688 3.442 -7.622 1.00 0.00 N ATOM 1414 CA MET A 95 -4.736 2.929 -8.992 1.00 0.00 C ATOM 1415 C MET A 95 -4.612 1.404 -9.026 1.00 0.00 C ATOM 1416 O MET A 95 -4.336 0.770 -8.001 1.00 0.00 O ATOM 1417 CB MET A 95 -3.637 3.585 -9.850 1.00 0.00 C ATOM 1418 CG MET A 95 -2.246 3.226 -9.306 1.00 0.00 C ATOM 1419 SD MET A 95 -0.982 3.980 -10.355 1.00 0.00 S ATOM 1420 CE MET A 95 -1.261 2.950 -11.815 1.00 0.00 C ATOM 0 H MET A 95 -4.333 2.778 -6.934 1.00 0.00 H new ATOM 0 HA MET A 95 -5.708 3.188 -9.412 1.00 0.00 H new ATOM 0 HB2 MET A 95 -3.727 3.252 -10.884 1.00 0.00 H new ATOM 0 HB3 MET A 95 -3.766 4.667 -9.851 1.00 0.00 H new ATOM 0 HG2 MET A 95 -2.142 3.579 -8.280 1.00 0.00 H new ATOM 0 HG3 MET A 95 -2.119 2.144 -9.285 1.00 0.00 H new ATOM 0 HE1 MET A 95 -0.351 2.914 -12.414 1.00 0.00 H new ATOM 0 HE2 MET A 95 -1.530 1.941 -11.502 1.00 0.00 H new ATOM 0 HE3 MET A 95 -2.070 3.374 -12.410 1.00 0.00 H new ATOM 1430 N ALA A 96 -4.806 0.830 -10.218 1.00 0.00 N ATOM 1431 CA ALA A 96 -4.706 -0.617 -10.406 1.00 0.00 C ATOM 1432 C ALA A 96 -3.847 -0.942 -11.632 1.00 0.00 C ATOM 1433 O ALA A 96 -3.811 -0.168 -12.591 1.00 0.00 O ATOM 1434 CB ALA A 96 -6.109 -1.229 -10.564 1.00 0.00 C ATOM 0 H ALA A 96 -5.033 1.348 -11.067 1.00 0.00 H new ATOM 0 HA ALA A 96 -4.229 -1.048 -9.526 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -6.022 -2.307 -10.703 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -6.698 -1.025 -9.670 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.602 -0.790 -11.431 1.00 0.00 H new ATOM 1440 N TYR A 97 -3.148 -2.087 -11.584 1.00 0.00 N ATOM 1441 CA TYR A 97 -2.279 -2.507 -12.702 1.00 0.00 C ATOM 1442 C TYR A 97 -2.792 -3.784 -13.370 1.00 0.00 C ATOM 1443 O TYR A 97 -2.777 -4.859 -12.763 1.00 0.00 O ATOM 1444 CB TYR A 97 -0.856 -2.746 -12.208 1.00 0.00 C ATOM 1445 CG TYR A 97 -0.256 -1.459 -11.691 1.00 0.00 C ATOM 1446 CD1 TYR A 97 -0.308 -1.163 -10.324 1.00 0.00 C ATOM 1447 CD2 TYR A 97 0.360 -0.567 -12.577 1.00 0.00 C ATOM 1448 CE1 TYR A 97 0.256 0.023 -9.844 1.00 0.00 C ATOM 1449 CE2 TYR A 97 0.922 0.620 -12.095 1.00 0.00 C ATOM 1450 CZ TYR A 97 0.871 0.915 -10.729 1.00 0.00 C ATOM 1451 OH TYR A 97 1.427 2.084 -10.254 1.00 0.00 O ATOM 0 H TYR A 97 -3.164 -2.733 -10.795 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.290 -1.701 -13.436 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -0.860 -3.497 -11.418 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -0.244 -3.140 -13.019 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.784 -1.850 -9.640 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.401 -0.795 -13.632 1.00 0.00 H new ATOM 0 HE1 TYR A 97 0.217 0.251 -8.789 1.00 0.00 H new ATOM 0 HE2 TYR A 97 1.396 1.309 -12.778 1.00 0.00 H new ATOM 0 HH TYR A 97 0.717 2.672 -9.921 1.00 0.00 H new ATOM 1461 N SER A 98 -3.204 -3.663 -14.641 1.00 0.00 N ATOM 1462 CA SER A 98 -3.674 -4.821 -15.419 1.00 0.00 C ATOM 1463 C SER A 98 -2.544 -5.810 -15.663 1.00 0.00 C ATOM 1464 O SER A 98 -2.750 -7.027 -15.625 1.00 0.00 O ATOM 1465 CB SER A 98 -4.234 -4.367 -16.764 1.00 0.00 C ATOM 1466 OG SER A 98 -5.408 -3.612 -16.551 1.00 0.00 O ATOM 0 H SER A 98 -3.222 -2.780 -15.151 1.00 0.00 H new ATOM 0 HA SER A 98 -4.458 -5.310 -14.840 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.494 -3.768 -17.295 1.00 0.00 H new ATOM 0 HB3 SER A 98 -4.453 -5.232 -17.390 1.00 0.00 H new ATOM 0 HG SER A 98 -5.975 -4.067 -15.894 1.00 0.00 H new ATOM 1472 N LYS A 99 -1.358 -5.271 -15.960 1.00 0.00 N ATOM 1473 CA LYS A 99 -0.188 -6.092 -16.266 1.00 0.00 C ATOM 1474 C LYS A 99 1.076 -5.455 -15.702 1.00 0.00 C ATOM 1475 O LYS A 99 1.266 -4.238 -15.806 1.00 0.00 O ATOM 1476 CB LYS A 99 -0.053 -6.259 -17.787 1.00 0.00 C ATOM 1477 CG LYS A 99 1.005 -7.328 -18.118 1.00 0.00 C ATOM 1478 CD LYS A 99 0.445 -8.741 -17.867 1.00 0.00 C ATOM 1479 CE LYS A 99 -0.549 -9.114 -18.976 1.00 0.00 C ATOM 1480 NZ LYS A 99 -0.964 -10.536 -18.813 1.00 0.00 N ATOM 0 H LYS A 99 -1.185 -4.266 -15.994 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.319 -7.071 -15.805 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -1.014 -6.545 -18.215 1.00 0.00 H new ATOM 0 HB3 LYS A 99 0.227 -5.308 -18.240 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.313 -7.233 -19.159 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.894 -7.169 -17.507 1.00 0.00 H new ATOM 0 HD2 LYS A 99 1.260 -9.465 -17.838 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -0.049 -8.779 -16.896 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -1.421 -8.462 -18.932 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -0.091 -8.967 -19.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -1.637 -10.789 -19.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -0.128 -11.151 -18.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -1.417 -10.661 -17.885 1.00 0.00 H new ATOM 1494 N ALA A 100 1.930 -6.283 -15.092 1.00 0.00 N ATOM 1495 CA ALA A 100 3.173 -5.801 -14.494 1.00 0.00 C ATOM 1496 C ALA A 100 4.335 -5.920 -15.475 1.00 0.00 C ATOM 1497 O ALA A 100 4.792 -7.023 -15.779 1.00 0.00 O ATOM 1498 CB ALA A 100 3.487 -6.595 -13.225 1.00 0.00 C ATOM 0 H ALA A 100 1.781 -7.288 -15.001 1.00 0.00 H new ATOM 0 HA ALA A 100 3.041 -4.749 -14.241 1.00 0.00 H new ATOM 0 HB1 ALA A 100 4.415 -6.228 -12.787 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.674 -6.473 -12.509 1.00 0.00 H new ATOM 0 HB3 ALA A 100 3.595 -7.651 -13.474 1.00 0.00 H new ATOM 1599 N ASP A 107 4.673 -1.286 -17.189 1.00 0.00 N ATOM 1600 CA ASP A 107 3.432 -1.883 -16.752 1.00 0.00 C ATOM 1601 C ASP A 107 2.242 -1.183 -17.410 1.00 0.00 C ATOM 1602 O ASP A 107 2.373 -0.051 -17.889 1.00 0.00 O ATOM 1603 CB ASP A 107 3.334 -1.756 -15.228 1.00 0.00 C ATOM 1604 CG ASP A 107 3.262 -0.275 -14.772 1.00 0.00 C ATOM 1605 OD1 ASP A 107 3.240 0.612 -15.621 1.00 0.00 O ATOM 1606 OD2 ASP A 107 3.236 -0.057 -13.572 1.00 0.00 O ATOM 0 HA ASP A 107 3.413 -2.934 -17.040 1.00 0.00 H new ATOM 0 HB2 ASP A 107 2.450 -2.287 -14.876 1.00 0.00 H new ATOM 0 HB3 ASP A 107 4.198 -2.235 -14.768 1.00 0.00 H new ATOM 1611 N VAL A 108 1.073 -1.849 -17.412 1.00 0.00 N ATOM 1612 CA VAL A 108 -0.144 -1.255 -17.989 1.00 0.00 C ATOM 1613 C VAL A 108 -1.172 -0.942 -16.855 1.00 0.00 C ATOM 1614 O VAL A 108 -1.803 -1.866 -16.334 1.00 0.00 O ATOM 1615 CB VAL A 108 -0.776 -2.235 -19.018 1.00 0.00 C ATOM 1616 CG1 VAL A 108 -2.028 -1.608 -19.652 1.00 0.00 C ATOM 1617 CG2 VAL A 108 0.237 -2.549 -20.130 1.00 0.00 C ATOM 0 H VAL A 108 0.947 -2.785 -17.026 1.00 0.00 H new ATOM 0 HA VAL A 108 0.121 -0.327 -18.497 1.00 0.00 H new ATOM 0 HB VAL A 108 -1.052 -3.151 -18.496 1.00 0.00 H new ATOM 0 HG11 VAL A 108 -2.460 -2.305 -20.370 1.00 0.00 H new ATOM 0 HG12 VAL A 108 -2.759 -1.389 -18.874 1.00 0.00 H new ATOM 0 HG13 VAL A 108 -1.754 -0.685 -20.162 1.00 0.00 H new ATOM 0 HG21 VAL A 108 -0.212 -3.236 -20.848 1.00 0.00 H new ATOM 0 HG22 VAL A 108 0.518 -1.626 -20.638 1.00 0.00 H new ATOM 0 HG23 VAL A 108 1.125 -3.008 -19.695 1.00 0.00 H new ATOM 1627 N PRO A 109 -1.374 0.346 -16.477 1.00 0.00 N ATOM 1628 CA PRO A 109 -2.361 0.726 -15.419 1.00 0.00 C ATOM 1629 C PRO A 109 -3.779 0.890 -15.971 1.00 0.00 C ATOM 1630 O PRO A 109 -3.961 1.401 -17.081 1.00 0.00 O ATOM 1631 CB PRO A 109 -1.820 2.059 -14.927 1.00 0.00 C ATOM 1632 CG PRO A 109 -1.251 2.701 -16.149 1.00 0.00 C ATOM 1633 CD PRO A 109 -0.685 1.565 -17.007 1.00 0.00 C ATOM 0 HA PRO A 109 -2.454 -0.034 -14.644 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -2.608 2.670 -14.487 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -1.059 1.920 -14.160 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -2.019 3.253 -16.692 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -0.471 3.415 -15.886 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -0.898 1.718 -18.065 1.00 0.00 H new ATOM 0 HD3 PRO A 109 0.398 1.489 -16.907 1.00 0.00 H new ATOM 1641 N LEU A 110 -4.782 0.508 -15.162 1.00 0.00 N ATOM 1642 CA LEU A 110 -6.189 0.683 -15.557 1.00 0.00 C ATOM 1643 C LEU A 110 -6.608 2.148 -15.487 1.00 0.00 C ATOM 1644 O LEU A 110 -6.123 2.906 -14.643 1.00 0.00 O ATOM 1645 CB LEU A 110 -7.136 -0.182 -14.697 1.00 0.00 C ATOM 1646 CG LEU A 110 -7.000 -1.666 -15.086 1.00 0.00 C ATOM 1647 CD1 LEU A 110 -7.734 -2.533 -14.059 1.00 0.00 C ATOM 1648 CD2 LEU A 110 -7.630 -1.900 -16.475 1.00 0.00 C ATOM 0 H LEU A 110 -4.648 0.083 -14.245 1.00 0.00 H new ATOM 0 HA LEU A 110 -6.270 0.349 -16.591 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -6.900 -0.052 -13.641 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -8.166 0.145 -14.836 1.00 0.00 H new ATOM 0 HG LEU A 110 -5.943 -1.932 -15.111 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -7.638 -3.583 -14.334 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -7.299 -2.375 -13.072 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -8.789 -2.258 -14.038 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.532 -2.951 -16.747 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -8.686 -1.630 -16.446 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.118 -1.285 -17.215 1.00 0.00 H new ATOM 1660 N LYS A 111 -7.498 2.534 -16.400 1.00 0.00 N ATOM 1661 CA LYS A 111 -7.991 3.902 -16.490 1.00 0.00 C ATOM 1662 C LYS A 111 -8.773 4.297 -15.229 1.00 0.00 C ATOM 1663 O LYS A 111 -9.645 3.554 -14.771 1.00 0.00 O ATOM 1664 CB LYS A 111 -8.883 4.036 -17.745 1.00 0.00 C ATOM 1665 CG LYS A 111 -9.249 5.500 -17.994 1.00 0.00 C ATOM 1666 CD LYS A 111 -10.066 5.632 -19.293 1.00 0.00 C ATOM 1667 CE LYS A 111 -9.157 5.428 -20.515 1.00 0.00 C ATOM 1668 NZ LYS A 111 -9.935 5.676 -21.762 1.00 0.00 N ATOM 0 H LYS A 111 -7.896 1.905 -17.097 1.00 0.00 H new ATOM 0 HA LYS A 111 -7.140 4.579 -16.571 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -8.361 3.634 -18.613 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -9.790 3.446 -17.617 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -9.825 5.886 -17.153 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -8.343 6.102 -18.063 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -10.870 4.896 -19.302 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -10.534 6.616 -19.339 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -8.305 6.106 -20.465 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -8.758 4.414 -20.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -9.319 5.538 -22.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -10.734 5.012 -21.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -10.295 6.652 -21.758 1.00 0.00 H new ATOM 1682 N THR A 112 -8.480 5.497 -14.709 1.00 0.00 N ATOM 1683 CA THR A 112 -9.191 6.036 -13.530 1.00 0.00 C ATOM 1684 C THR A 112 -10.692 6.130 -13.855 1.00 0.00 C ATOM 1685 O THR A 112 -11.549 5.836 -13.020 1.00 0.00 O ATOM 1686 CB THR A 112 -8.626 7.429 -13.172 1.00 0.00 C ATOM 1687 OG1 THR A 112 -7.237 7.312 -12.900 1.00 0.00 O ATOM 1688 CG2 THR A 112 -9.334 7.991 -11.926 1.00 0.00 C ATOM 0 H THR A 112 -7.759 6.115 -15.081 1.00 0.00 H new ATOM 0 HA THR A 112 -9.049 5.377 -12.674 1.00 0.00 H new ATOM 0 HB THR A 112 -8.792 8.104 -14.011 1.00 0.00 H new ATOM 0 HG1 THR A 112 -6.873 8.193 -12.674 1.00 0.00 H new ATOM 0 HG21 THR A 112 -8.925 8.973 -11.687 1.00 0.00 H new ATOM 0 HG22 THR A 112 -10.402 8.082 -12.124 1.00 0.00 H new ATOM 0 HG23 THR A 112 -9.177 7.317 -11.084 1.00 0.00 H new ATOM 1696 N GLU A 113 -10.970 6.512 -15.093 1.00 0.00 N ATOM 1697 CA GLU A 113 -12.327 6.630 -15.620 1.00 0.00 C ATOM 1698 C GLU A 113 -13.130 5.321 -15.446 1.00 0.00 C ATOM 1699 O GLU A 113 -14.337 5.311 -15.657 1.00 0.00 O ATOM 1700 CB GLU A 113 -12.242 6.946 -17.107 1.00 0.00 C ATOM 1701 CG GLU A 113 -13.569 7.540 -17.597 1.00 0.00 C ATOM 1702 CD GLU A 113 -13.506 7.836 -19.100 1.00 0.00 C ATOM 1703 OE1 GLU A 113 -12.467 8.291 -19.559 1.00 0.00 O ATOM 1704 OE2 GLU A 113 -14.498 7.602 -19.770 1.00 0.00 O ATOM 0 H GLU A 113 -10.249 6.753 -15.773 1.00 0.00 H new ATOM 0 HA GLU A 113 -12.837 7.420 -15.068 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -11.430 7.649 -17.291 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -12.012 6.039 -17.667 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -14.383 6.844 -17.392 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -13.787 8.457 -17.049 1.00 0.00 H new ATOM 1711 N GLU A 114 -12.441 4.220 -15.105 1.00 0.00 N ATOM 1712 CA GLU A 114 -13.077 2.916 -14.928 1.00 0.00 C ATOM 1713 C GLU A 114 -14.087 2.958 -13.771 1.00 0.00 C ATOM 1714 O GLU A 114 -15.154 2.339 -13.847 1.00 0.00 O ATOM 1715 CB GLU A 114 -11.987 1.861 -14.632 1.00 0.00 C ATOM 1716 CG GLU A 114 -12.613 0.455 -14.462 1.00 0.00 C ATOM 1717 CD GLU A 114 -11.531 -0.618 -14.178 1.00 0.00 C ATOM 1718 OE1 GLU A 114 -10.349 -0.283 -14.168 1.00 0.00 O ATOM 1719 OE2 GLU A 114 -11.909 -1.757 -13.969 1.00 0.00 O ATOM 0 H GLU A 114 -11.433 4.214 -14.946 1.00 0.00 H new ATOM 0 HA GLU A 114 -13.612 2.653 -15.841 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -11.261 1.845 -15.444 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -11.446 2.135 -13.726 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -13.333 0.473 -13.644 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -13.163 0.189 -15.365 1.00 0.00 H new ATOM 1726 N PHE A 115 -13.722 3.659 -12.696 1.00 0.00 N ATOM 1727 CA PHE A 115 -14.583 3.747 -11.501 1.00 0.00 C ATOM 1728 C PHE A 115 -14.272 4.993 -10.672 1.00 0.00 C ATOM 1729 O PHE A 115 -13.232 5.633 -10.856 1.00 0.00 O ATOM 1730 CB PHE A 115 -14.441 2.474 -10.635 1.00 0.00 C ATOM 1731 CG PHE A 115 -13.002 2.295 -10.184 1.00 0.00 C ATOM 1732 CD1 PHE A 115 -12.568 2.865 -8.982 1.00 0.00 C ATOM 1733 CD2 PHE A 115 -12.109 1.556 -10.971 1.00 0.00 C ATOM 1734 CE1 PHE A 115 -11.241 2.698 -8.566 1.00 0.00 C ATOM 1735 CE2 PHE A 115 -10.784 1.390 -10.557 1.00 0.00 C ATOM 1736 CZ PHE A 115 -10.349 1.960 -9.355 1.00 0.00 C ATOM 0 H PHE A 115 -12.844 4.173 -12.622 1.00 0.00 H new ATOM 0 HA PHE A 115 -15.614 3.827 -11.844 1.00 0.00 H new ATOM 0 HB2 PHE A 115 -15.095 2.544 -9.766 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -14.761 1.602 -11.205 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -13.257 3.434 -8.375 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -12.444 1.114 -11.898 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -10.906 3.138 -7.638 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -10.096 0.822 -11.165 1.00 0.00 H new ATOM 0 HZ PHE A 115 -9.325 1.831 -9.036 1.00 0.00 H new ATOM 1746 N GLU A 116 -15.194 5.333 -9.763 1.00 0.00 N ATOM 1747 CA GLU A 116 -15.046 6.507 -8.900 1.00 0.00 C ATOM 1748 C GLU A 116 -14.913 6.107 -7.426 1.00 0.00 C ATOM 1749 O GLU A 116 -15.742 5.366 -6.890 1.00 0.00 O ATOM 1750 CB GLU A 116 -16.246 7.462 -9.103 1.00 0.00 C ATOM 1751 CG GLU A 116 -16.120 8.707 -8.176 1.00 0.00 C ATOM 1752 CD GLU A 116 -17.165 9.792 -8.526 1.00 0.00 C ATOM 1753 OE1 GLU A 116 -17.939 9.594 -9.458 1.00 0.00 O ATOM 1754 OE2 GLU A 116 -17.171 10.807 -7.849 1.00 0.00 O ATOM 0 H GLU A 116 -16.054 4.807 -9.607 1.00 0.00 H new ATOM 0 HA GLU A 116 -14.128 7.024 -9.180 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -16.292 7.781 -10.144 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -17.176 6.936 -8.890 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -16.247 8.401 -7.138 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -15.118 9.126 -8.264 1.00 0.00 H new ATOM 1761 N VAL A 117 -13.892 6.669 -6.774 1.00 0.00 N ATOM 1762 CA VAL A 117 -13.662 6.451 -5.347 1.00 0.00 C ATOM 1763 C VAL A 117 -13.612 7.804 -4.630 1.00 0.00 C ATOM 1764 O VAL A 117 -12.798 8.670 -4.964 1.00 0.00 O ATOM 1765 CB VAL A 117 -12.336 5.671 -5.124 1.00 0.00 C ATOM 1766 CG1 VAL A 117 -12.091 5.441 -3.621 1.00 0.00 C ATOM 1767 CG2 VAL A 117 -12.411 4.310 -5.830 1.00 0.00 C ATOM 0 H VAL A 117 -13.208 7.282 -7.217 1.00 0.00 H new ATOM 0 HA VAL A 117 -14.479 5.856 -4.938 1.00 0.00 H new ATOM 0 HB VAL A 117 -11.516 6.260 -5.535 1.00 0.00 H new ATOM 0 HG11 VAL A 117 -11.158 4.894 -3.484 1.00 0.00 H new ATOM 0 HG12 VAL A 117 -12.026 6.402 -3.112 1.00 0.00 H new ATOM 0 HG13 VAL A 117 -12.915 4.864 -3.202 1.00 0.00 H new ATOM 0 HG21 VAL A 117 -11.480 3.766 -5.672 1.00 0.00 H new ATOM 0 HG22 VAL A 117 -13.242 3.734 -5.422 1.00 0.00 H new ATOM 0 HG23 VAL A 117 -12.565 4.462 -6.898 1.00 0.00 H new ATOM 1777 N THR A 118 -14.485 7.962 -3.647 1.00 0.00 N ATOM 1778 CA THR A 118 -14.571 9.186 -2.858 1.00 0.00 C ATOM 1779 C THR A 118 -14.296 8.879 -1.391 1.00 0.00 C ATOM 1780 O THR A 118 -14.424 7.729 -0.954 1.00 0.00 O ATOM 1781 CB THR A 118 -15.960 9.825 -3.013 1.00 0.00 C ATOM 1782 OG1 THR A 118 -16.273 9.937 -4.395 1.00 0.00 O ATOM 1783 CG2 THR A 118 -15.964 11.220 -2.381 1.00 0.00 C ATOM 0 H THR A 118 -15.156 7.245 -3.372 1.00 0.00 H new ATOM 0 HA THR A 118 -13.822 9.890 -3.220 1.00 0.00 H new ATOM 0 HB THR A 118 -16.701 9.201 -2.514 1.00 0.00 H new ATOM 0 HG1 THR A 118 -17.159 10.343 -4.498 1.00 0.00 H new ATOM 0 HG21 THR A 118 -16.951 11.668 -2.494 1.00 0.00 H new ATOM 0 HG22 THR A 118 -15.721 11.140 -1.321 1.00 0.00 H new ATOM 0 HG23 THR A 118 -15.223 11.846 -2.877 1.00 0.00 H new ATOM 1791 N LYS A 119 -13.889 9.905 -0.645 1.00 0.00 N ATOM 1792 CA LYS A 119 -13.556 9.749 0.772 1.00 0.00 C ATOM 1793 C LYS A 119 -14.716 9.134 1.575 1.00 0.00 C ATOM 1794 O LYS A 119 -14.499 8.593 2.666 1.00 0.00 O ATOM 1795 CB LYS A 119 -13.144 11.109 1.372 1.00 0.00 C ATOM 1796 CG LYS A 119 -14.326 12.097 1.330 1.00 0.00 C ATOM 1797 CD LYS A 119 -13.878 13.452 1.889 1.00 0.00 C ATOM 1798 CE LYS A 119 -15.074 14.411 1.949 1.00 0.00 C ATOM 1799 NZ LYS A 119 -15.591 14.659 0.572 1.00 0.00 N ATOM 0 H LYS A 119 -13.781 10.856 -0.998 1.00 0.00 H new ATOM 0 HA LYS A 119 -12.717 9.057 0.839 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -12.812 10.974 2.401 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -12.300 11.518 0.816 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -14.681 12.213 0.306 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -15.160 11.708 1.914 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -13.454 13.323 2.885 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -13.093 13.873 1.261 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -15.861 13.987 2.572 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -14.775 15.352 2.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -16.220 15.487 0.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -14.794 14.838 -0.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -16.120 13.826 0.244 1.00 0.00 H new ATOM 1813 N THR A 120 -15.945 9.240 1.041 1.00 0.00 N ATOM 1814 CA THR A 120 -17.124 8.711 1.733 1.00 0.00 C ATOM 1815 C THR A 120 -18.196 8.177 0.761 1.00 0.00 C ATOM 1816 O THR A 120 -19.354 7.996 1.156 1.00 0.00 O ATOM 1817 CB THR A 120 -17.718 9.791 2.657 1.00 0.00 C ATOM 1818 OG1 THR A 120 -18.823 9.253 3.370 1.00 0.00 O ATOM 1819 CG2 THR A 120 -18.178 11.005 1.834 1.00 0.00 C ATOM 0 H THR A 120 -16.143 9.682 0.143 1.00 0.00 H new ATOM 0 HA THR A 120 -16.796 7.860 2.330 1.00 0.00 H new ATOM 0 HB THR A 120 -16.950 10.113 3.360 1.00 0.00 H new ATOM 0 HG1 THR A 120 -19.456 8.852 2.738 1.00 0.00 H new ATOM 0 HG21 THR A 120 -18.595 11.760 2.501 1.00 0.00 H new ATOM 0 HG22 THR A 120 -17.327 11.425 1.298 1.00 0.00 H new ATOM 0 HG23 THR A 120 -18.939 10.692 1.119 1.00 0.00 H new ATOM 1827 N ALA A 121 -17.803 7.915 -0.501 1.00 0.00 N ATOM 1828 CA ALA A 121 -18.744 7.389 -1.501 1.00 0.00 C ATOM 1829 C ALA A 121 -18.023 6.628 -2.605 1.00 0.00 C ATOM 1830 O ALA A 121 -16.914 6.978 -2.989 1.00 0.00 O ATOM 1831 CB ALA A 121 -19.562 8.530 -2.107 1.00 0.00 C ATOM 0 H ALA A 121 -16.854 8.057 -0.846 1.00 0.00 H new ATOM 0 HA ALA A 121 -19.411 6.693 -0.992 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -20.255 8.128 -2.846 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -20.123 9.034 -1.320 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -18.892 9.243 -2.588 1.00 0.00 H new ATOM 1837 N VAL A 122 -18.681 5.588 -3.110 1.00 0.00 N ATOM 1838 CA VAL A 122 -18.136 4.761 -4.186 1.00 0.00 C ATOM 1839 C VAL A 122 -19.188 4.579 -5.279 1.00 0.00 C ATOM 1840 O VAL A 122 -20.334 4.215 -4.988 1.00 0.00 O ATOM 1841 CB VAL A 122 -17.685 3.387 -3.626 1.00 0.00 C ATOM 1842 CG1 VAL A 122 -17.107 2.514 -4.748 1.00 0.00 C ATOM 1843 CG2 VAL A 122 -16.606 3.600 -2.566 1.00 0.00 C ATOM 0 H VAL A 122 -19.603 5.295 -2.788 1.00 0.00 H new ATOM 0 HA VAL A 122 -17.266 5.257 -4.617 1.00 0.00 H new ATOM 0 HB VAL A 122 -18.551 2.888 -3.191 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -16.795 1.553 -4.338 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -17.868 2.353 -5.512 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -16.247 3.015 -5.192 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -16.288 2.635 -2.171 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -15.752 4.108 -3.013 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -17.007 4.209 -1.756 1.00 0.00 H new ATOM 1853 N ALA A 123 -18.789 4.816 -6.534 1.00 0.00 N ATOM 1854 CA ALA A 123 -19.705 4.655 -7.660 1.00 0.00 C ATOM 1855 C ALA A 123 -18.969 4.201 -8.915 1.00 0.00 C ATOM 1856 O ALA A 123 -17.809 4.565 -9.131 1.00 0.00 O ATOM 1857 CB ALA A 123 -20.444 5.964 -7.934 1.00 0.00 C ATOM 0 H ALA A 123 -17.848 5.116 -6.790 1.00 0.00 H new ATOM 0 HA ALA A 123 -20.427 3.884 -7.393 1.00 0.00 H new ATOM 0 HB1 ALA A 123 -21.123 5.829 -8.776 1.00 0.00 H new ATOM 0 HB2 ALA A 123 -21.014 6.252 -7.051 1.00 0.00 H new ATOM 0 HB3 ALA A 123 -19.723 6.746 -8.171 1.00 0.00 H new ATOM 1863 N HIS A 124 -19.661 3.408 -9.746 1.00 0.00 N ATOM 1864 CA HIS A 124 -19.089 2.907 -10.987 1.00 0.00 C ATOM 1865 C HIS A 124 -19.108 3.980 -12.071 1.00 0.00 C ATOM 1866 O HIS A 124 -19.970 4.865 -12.074 1.00 0.00 O ATOM 1867 CB HIS A 124 -19.841 1.638 -11.464 1.00 0.00 C ATOM 1868 CG HIS A 124 -21.287 1.960 -11.775 1.00 0.00 C ATOM 1869 ND1 HIS A 124 -22.248 2.078 -10.783 1.00 0.00 N ATOM 1870 CD2 HIS A 124 -21.939 2.196 -12.961 1.00 0.00 C ATOM 1871 CE1 HIS A 124 -23.416 2.373 -11.386 1.00 0.00 C ATOM 1872 NE2 HIS A 124 -23.282 2.456 -12.713 1.00 0.00 N ATOM 0 H HIS A 124 -20.619 3.104 -9.573 1.00 0.00 H new ATOM 0 HA HIS A 124 -18.050 2.640 -10.794 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -19.354 1.232 -12.351 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -19.792 0.869 -10.693 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -21.478 2.182 -13.938 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -24.348 2.524 -10.861 1.00 0.00 H new ATOM 0 HE2 HIS A 124 -24.009 2.665 -13.397 1.00 0.00 H new ATOM 1880 N ARG A 125 -18.163 3.874 -12.991 1.00 0.00 N ATOM 1881 CA ARG A 125 -18.050 4.802 -14.107 1.00 0.00 C ATOM 1882 C ARG A 125 -18.294 4.064 -15.437 1.00 0.00 C ATOM 1883 O ARG A 125 -18.127 2.840 -15.490 1.00 0.00 O ATOM 1884 CB ARG A 125 -16.659 5.426 -14.113 1.00 0.00 C ATOM 1885 CG ARG A 125 -16.442 6.267 -12.838 1.00 0.00 C ATOM 1886 CD ARG A 125 -17.227 7.586 -12.933 1.00 0.00 C ATOM 1887 NE ARG A 125 -16.750 8.385 -14.077 1.00 0.00 N ATOM 1888 CZ ARG A 125 -15.650 9.183 -14.020 1.00 0.00 C ATOM 1889 NH1 ARG A 125 -14.946 9.304 -12.909 1.00 0.00 N ATOM 1890 NH2 ARG A 125 -15.279 9.838 -15.086 1.00 0.00 N ATOM 0 H ARG A 125 -17.452 3.143 -12.986 1.00 0.00 H new ATOM 0 HA ARG A 125 -18.799 5.586 -13.995 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -15.903 4.643 -14.173 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -16.539 6.054 -14.996 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -16.766 5.704 -11.963 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -15.380 6.476 -12.707 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -18.291 7.377 -13.046 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -17.110 8.154 -12.010 1.00 0.00 H new ATOM 0 HE ARG A 125 -17.270 8.337 -14.953 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -15.224 8.793 -12.071 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -14.124 9.908 -12.889 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -15.812 9.749 -15.951 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -14.456 10.439 -15.054 1.00 0.00 H new ATOM 1904 N PRO A 126 -18.662 4.770 -16.531 1.00 0.00 N ATOM 1905 CA PRO A 126 -18.882 4.109 -17.854 1.00 0.00 C ATOM 1906 C PRO A 126 -17.575 3.560 -18.407 1.00 0.00 C ATOM 1907 O PRO A 126 -16.496 4.086 -18.106 1.00 0.00 O ATOM 1908 CB PRO A 126 -19.424 5.233 -18.744 1.00 0.00 C ATOM 1909 CG PRO A 126 -18.911 6.490 -18.126 1.00 0.00 C ATOM 1910 CD PRO A 126 -18.901 6.241 -16.622 1.00 0.00 C ATOM 0 HA PRO A 126 -19.562 3.260 -17.792 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -19.076 5.127 -19.771 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -20.514 5.223 -18.774 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -17.911 6.724 -18.490 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -19.548 7.338 -18.378 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -18.116 6.810 -16.123 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -19.845 6.527 -16.159 1.00 0.00 H new ATOM 1918 N GLY A 127 -17.671 2.476 -19.176 1.00 0.00 N ATOM 1919 CA GLY A 127 -16.484 1.820 -19.731 1.00 0.00 C ATOM 1920 C GLY A 127 -15.812 0.886 -18.701 1.00 0.00 C ATOM 1921 O GLY A 127 -14.683 0.431 -18.916 1.00 0.00 O ATOM 0 H GLY A 127 -18.554 2.033 -19.429 1.00 0.00 H new ATOM 0 HA2 GLY A 127 -16.765 1.246 -20.614 1.00 0.00 H new ATOM 0 HA3 GLY A 127 -15.770 2.576 -20.057 1.00 0.00 H new ATOM 1925 N ALA A 128 -16.515 0.605 -17.584 1.00 0.00 N ATOM 1926 CA ALA A 128 -15.991 -0.265 -16.535 1.00 0.00 C ATOM 1927 C ALA A 128 -15.586 -1.616 -17.108 1.00 0.00 C ATOM 1928 O ALA A 128 -16.171 -2.089 -18.088 1.00 0.00 O ATOM 1929 CB ALA A 128 -17.042 -0.462 -15.443 1.00 0.00 C ATOM 0 H ALA A 128 -17.447 0.973 -17.394 1.00 0.00 H new ATOM 0 HA ALA A 128 -15.109 0.210 -16.105 1.00 0.00 H new ATOM 0 HB1 ALA A 128 -16.641 -1.112 -14.665 1.00 0.00 H new ATOM 0 HB2 ALA A 128 -17.302 0.504 -15.010 1.00 0.00 H new ATOM 0 HB3 ALA A 128 -17.933 -0.918 -15.874 1.00 0.00 H new ATOM 1935 N PHE A 129 -14.565 -2.218 -16.501 1.00 0.00 N ATOM 1936 CA PHE A 129 -14.042 -3.511 -16.950 1.00 0.00 C ATOM 1937 C PHE A 129 -14.786 -4.666 -16.302 1.00 0.00 C ATOM 1938 O PHE A 129 -15.163 -4.595 -15.127 1.00 0.00 O ATOM 1939 CB PHE A 129 -12.551 -3.619 -16.626 1.00 0.00 C ATOM 1940 CG PHE A 129 -11.745 -2.744 -17.572 1.00 0.00 C ATOM 1941 CD1 PHE A 129 -11.597 -1.380 -17.313 1.00 0.00 C ATOM 1942 CD2 PHE A 129 -11.141 -3.310 -18.703 1.00 0.00 C ATOM 1943 CE1 PHE A 129 -10.847 -0.577 -18.182 1.00 0.00 C ATOM 1944 CE2 PHE A 129 -10.391 -2.509 -19.574 1.00 0.00 C ATOM 1945 CZ PHE A 129 -10.245 -1.142 -19.313 1.00 0.00 C ATOM 0 H PHE A 129 -14.080 -1.830 -15.692 1.00 0.00 H new ATOM 0 HA PHE A 129 -14.188 -3.570 -18.029 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -12.372 -3.314 -15.595 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -12.227 -4.656 -16.712 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -12.061 -0.943 -16.441 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -11.254 -4.365 -18.903 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -10.733 0.478 -17.980 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -9.926 -2.946 -20.446 1.00 0.00 H new ATOM 0 HZ PHE A 129 -9.668 -0.523 -19.984 1.00 0.00 H new ATOM 1955 N LYS A 130 -14.981 -5.743 -17.077 1.00 0.00 N ATOM 1956 CA LYS A 130 -15.669 -6.936 -16.582 1.00 0.00 C ATOM 1957 C LYS A 130 -14.771 -8.179 -16.697 1.00 0.00 C ATOM 1958 O LYS A 130 -14.413 -8.791 -15.689 1.00 0.00 O ATOM 1959 CB LYS A 130 -16.973 -7.162 -17.366 1.00 0.00 C ATOM 1960 CG LYS A 130 -17.927 -5.972 -17.150 1.00 0.00 C ATOM 1961 CD LYS A 130 -19.212 -6.159 -17.981 1.00 0.00 C ATOM 1962 CE LYS A 130 -20.079 -7.275 -17.374 1.00 0.00 C ATOM 1963 NZ LYS A 130 -21.349 -7.394 -18.146 1.00 0.00 N ATOM 0 H LYS A 130 -14.671 -5.809 -18.047 1.00 0.00 H new ATOM 0 HA LYS A 130 -15.904 -6.776 -15.530 1.00 0.00 H new ATOM 0 HB2 LYS A 130 -16.754 -7.276 -18.428 1.00 0.00 H new ATOM 0 HB3 LYS A 130 -17.450 -8.086 -17.038 1.00 0.00 H new ATOM 0 HG2 LYS A 130 -18.179 -5.886 -16.093 1.00 0.00 H new ATOM 0 HG3 LYS A 130 -17.432 -5.044 -17.436 1.00 0.00 H new ATOM 0 HD2 LYS A 130 -19.775 -5.226 -18.009 1.00 0.00 H new ATOM 0 HD3 LYS A 130 -18.955 -6.407 -19.011 1.00 0.00 H new ATOM 0 HE2 LYS A 130 -19.539 -8.221 -17.394 1.00 0.00 H new ATOM 0 HE3 LYS A 130 -20.296 -7.054 -16.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 -21.935 -8.149 -17.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 -21.866 -6.493 -18.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 -21.133 -7.624 -19.137 1.00 0.00 H new ATOM 1977 N ALA A 131 -14.431 -8.548 -17.940 1.00 0.00 N ATOM 1978 CA ALA A 131 -13.594 -9.731 -18.211 1.00 0.00 C ATOM 1979 C ALA A 131 -12.119 -9.512 -17.830 1.00 0.00 C ATOM 1980 O ALA A 131 -11.366 -10.479 -17.677 1.00 0.00 O ATOM 1981 CB ALA A 131 -13.690 -10.111 -19.689 1.00 0.00 C ATOM 0 H ALA A 131 -14.723 -8.044 -18.778 1.00 0.00 H new ATOM 0 HA ALA A 131 -13.975 -10.541 -17.589 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -13.069 -10.986 -19.881 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -14.726 -10.340 -19.939 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -13.344 -9.279 -20.302 1.00 0.00 H new ATOM 1987 N GLU A 132 -11.705 -8.240 -17.728 1.00 0.00 N ATOM 1988 CA GLU A 132 -10.311 -7.900 -17.423 1.00 0.00 C ATOM 1989 C GLU A 132 -10.011 -8.083 -15.933 1.00 0.00 C ATOM 1990 O GLU A 132 -10.829 -7.737 -15.076 1.00 0.00 O ATOM 1991 CB GLU A 132 -10.017 -6.449 -17.846 1.00 0.00 C ATOM 1992 CG GLU A 132 -8.508 -6.142 -17.702 1.00 0.00 C ATOM 1993 CD GLU A 132 -7.669 -7.010 -18.661 1.00 0.00 C ATOM 1994 OE1 GLU A 132 -8.193 -7.431 -19.686 1.00 0.00 O ATOM 1995 OE2 GLU A 132 -6.511 -7.237 -18.350 1.00 0.00 O ATOM 0 H GLU A 132 -12.316 -7.433 -17.852 1.00 0.00 H new ATOM 0 HA GLU A 132 -9.666 -8.576 -17.984 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -10.329 -6.294 -18.879 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -10.595 -5.760 -17.231 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -8.327 -5.087 -17.909 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -8.194 -6.323 -16.674 1.00 0.00 H new ATOM 2002 N LEU A 133 -8.817 -8.615 -15.640 1.00 0.00 N ATOM 2003 CA LEU A 133 -8.376 -8.832 -14.259 1.00 0.00 C ATOM 2004 C LEU A 133 -7.186 -7.929 -13.939 1.00 0.00 C ATOM 2005 O LEU A 133 -6.419 -7.564 -14.837 1.00 0.00 O ATOM 2006 CB LEU A 133 -8.012 -10.317 -14.039 1.00 0.00 C ATOM 2007 CG LEU A 133 -6.864 -10.760 -15.006 1.00 0.00 C ATOM 2008 CD1 LEU A 133 -5.495 -10.534 -14.340 1.00 0.00 C ATOM 2009 CD2 LEU A 133 -7.024 -12.258 -15.345 1.00 0.00 C ATOM 0 H LEU A 133 -8.138 -8.903 -16.345 1.00 0.00 H new ATOM 0 HA LEU A 133 -9.193 -8.578 -13.584 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -7.702 -10.470 -13.005 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -8.892 -10.939 -14.203 1.00 0.00 H new ATOM 0 HG LEU A 133 -6.921 -10.167 -15.919 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -4.703 -10.845 -15.021 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -5.375 -9.477 -14.104 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -5.436 -11.120 -13.423 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -6.224 -12.566 -16.019 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -6.973 -12.846 -14.429 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -7.988 -12.421 -15.828 1.00 0.00 H new ATOM 2021 N SER A 134 -7.071 -7.520 -12.664 1.00 0.00 N ATOM 2022 CA SER A 134 -6.005 -6.604 -12.252 1.00 0.00 C ATOM 2023 C SER A 134 -5.853 -6.554 -10.733 1.00 0.00 C ATOM 2024 O SER A 134 -6.666 -7.115 -9.994 1.00 0.00 O ATOM 2025 CB SER A 134 -6.303 -5.202 -12.785 1.00 0.00 C ATOM 2026 OG SER A 134 -5.270 -4.314 -12.388 1.00 0.00 O ATOM 0 H SER A 134 -7.697 -7.808 -11.912 1.00 0.00 H new ATOM 0 HA SER A 134 -5.067 -6.973 -12.667 1.00 0.00 H new ATOM 0 HB2 SER A 134 -6.380 -5.224 -13.872 1.00 0.00 H new ATOM 0 HB3 SER A 134 -7.263 -4.853 -12.404 1.00 0.00 H new ATOM 0 HG SER A 134 -5.436 -3.427 -12.771 1.00 0.00 H new ATOM 2032 N LYS A 135 -4.820 -5.832 -10.280 1.00 0.00 N ATOM 2033 CA LYS A 135 -4.562 -5.641 -8.850 1.00 0.00 C ATOM 2034 C LYS A 135 -4.718 -4.174 -8.475 1.00 0.00 C ATOM 2035 O LYS A 135 -4.526 -3.294 -9.313 1.00 0.00 O ATOM 2036 CB LYS A 135 -3.150 -6.133 -8.469 1.00 0.00 C ATOM 2037 CG LYS A 135 -2.081 -5.387 -9.288 1.00 0.00 C ATOM 2038 CD LYS A 135 -0.692 -5.903 -8.913 1.00 0.00 C ATOM 2039 CE LYS A 135 0.366 -5.154 -9.725 1.00 0.00 C ATOM 2040 NZ LYS A 135 1.721 -5.653 -9.357 1.00 0.00 N ATOM 0 H LYS A 135 -4.146 -5.368 -10.889 1.00 0.00 H new ATOM 0 HA LYS A 135 -5.292 -6.231 -8.297 1.00 0.00 H new ATOM 0 HB2 LYS A 135 -2.978 -5.974 -7.404 1.00 0.00 H new ATOM 0 HB3 LYS A 135 -3.071 -7.205 -8.648 1.00 0.00 H new ATOM 0 HG2 LYS A 135 -2.258 -5.533 -10.354 1.00 0.00 H new ATOM 0 HG3 LYS A 135 -2.145 -4.316 -9.098 1.00 0.00 H new ATOM 0 HD2 LYS A 135 -0.515 -5.761 -7.847 1.00 0.00 H new ATOM 0 HD3 LYS A 135 -0.625 -6.973 -9.108 1.00 0.00 H new ATOM 0 HE2 LYS A 135 0.191 -5.298 -10.791 1.00 0.00 H new ATOM 0 HE3 LYS A 135 0.297 -4.083 -9.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 2.440 -5.144 -9.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 1.886 -5.493 -8.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 1.784 -6.671 -9.562 1.00 0.00 H new ATOM 2054 N LEU A 136 -5.080 -3.926 -7.218 1.00 0.00 N ATOM 2055 CA LEU A 136 -5.296 -2.562 -6.720 1.00 0.00 C ATOM 2056 C LEU A 136 -4.252 -2.168 -5.684 1.00 0.00 C ATOM 2057 O LEU A 136 -3.870 -2.973 -4.829 1.00 0.00 O ATOM 2058 CB LEU A 136 -6.686 -2.451 -6.094 1.00 0.00 C ATOM 2059 CG LEU A 136 -7.771 -2.443 -7.182 1.00 0.00 C ATOM 2060 CD1 LEU A 136 -9.126 -2.745 -6.542 1.00 0.00 C ATOM 2061 CD2 LEU A 136 -7.839 -1.050 -7.836 1.00 0.00 C ATOM 0 H LEU A 136 -5.232 -4.654 -6.520 1.00 0.00 H new ATOM 0 HA LEU A 136 -5.209 -1.885 -7.570 1.00 0.00 H new ATOM 0 HB2 LEU A 136 -6.852 -3.286 -5.414 1.00 0.00 H new ATOM 0 HB3 LEU A 136 -6.752 -1.539 -5.501 1.00 0.00 H new ATOM 0 HG LEU A 136 -7.531 -3.194 -7.934 1.00 0.00 H new ATOM 0 HD11 LEU A 136 -9.900 -2.741 -7.310 1.00 0.00 H new ATOM 0 HD12 LEU A 136 -9.093 -3.725 -6.065 1.00 0.00 H new ATOM 0 HD13 LEU A 136 -9.353 -1.985 -5.794 1.00 0.00 H new ATOM 0 HD21 LEU A 136 -8.609 -1.047 -8.607 1.00 0.00 H new ATOM 0 HD22 LEU A 136 -8.081 -0.304 -7.079 1.00 0.00 H new ATOM 0 HD23 LEU A 136 -6.875 -0.812 -8.285 1.00 0.00 H new ATOM 2073 N VAL A 137 -3.854 -0.894 -5.727 1.00 0.00 N ATOM 2074 CA VAL A 137 -2.920 -0.336 -4.759 1.00 0.00 C ATOM 2075 C VAL A 137 -3.410 1.050 -4.327 1.00 0.00 C ATOM 2076 O VAL A 137 -3.679 1.913 -5.170 1.00 0.00 O ATOM 2077 CB VAL A 137 -1.491 -0.272 -5.362 1.00 0.00 C ATOM 2078 CG1 VAL A 137 -1.460 0.648 -6.590 1.00 0.00 C ATOM 2079 CG2 VAL A 137 -0.494 0.241 -4.309 1.00 0.00 C ATOM 0 H VAL A 137 -4.171 -0.228 -6.431 1.00 0.00 H new ATOM 0 HA VAL A 137 -2.874 -0.978 -3.879 1.00 0.00 H new ATOM 0 HB VAL A 137 -1.206 -1.278 -5.670 1.00 0.00 H new ATOM 0 HG11 VAL A 137 -0.449 0.678 -6.997 1.00 0.00 H new ATOM 0 HG12 VAL A 137 -2.145 0.267 -7.348 1.00 0.00 H new ATOM 0 HG13 VAL A 137 -1.764 1.653 -6.299 1.00 0.00 H new ATOM 0 HG21 VAL A 137 0.505 0.282 -4.743 1.00 0.00 H new ATOM 0 HG22 VAL A 137 -0.789 1.239 -3.984 1.00 0.00 H new ATOM 0 HG23 VAL A 137 -0.490 -0.433 -3.453 1.00 0.00 H new ATOM 2089 N ILE A 138 -3.587 1.227 -3.019 1.00 0.00 N ATOM 2090 CA ILE A 138 -4.118 2.481 -2.473 1.00 0.00 C ATOM 2091 C ILE A 138 -3.158 3.076 -1.443 1.00 0.00 C ATOM 2092 O ILE A 138 -2.804 2.421 -0.459 1.00 0.00 O ATOM 2093 CB ILE A 138 -5.514 2.239 -1.822 1.00 0.00 C ATOM 2094 CG1 ILE A 138 -6.485 1.576 -2.845 1.00 0.00 C ATOM 2095 CG2 ILE A 138 -6.114 3.582 -1.354 1.00 0.00 C ATOM 2096 CD1 ILE A 138 -6.286 0.050 -2.867 1.00 0.00 C ATOM 0 H ILE A 138 -3.372 0.520 -2.316 1.00 0.00 H new ATOM 0 HA ILE A 138 -4.226 3.190 -3.294 1.00 0.00 H new ATOM 0 HB ILE A 138 -5.385 1.574 -0.968 1.00 0.00 H new ATOM 0 HG12 ILE A 138 -7.516 1.810 -2.581 1.00 0.00 H new ATOM 0 HG13 ILE A 138 -6.310 1.986 -3.840 1.00 0.00 H new ATOM 0 HG21 ILE A 138 -7.089 3.406 -0.900 1.00 0.00 H new ATOM 0 HG22 ILE A 138 -5.450 4.041 -0.622 1.00 0.00 H new ATOM 0 HG23 ILE A 138 -6.227 4.248 -2.210 1.00 0.00 H new ATOM 0 HD11 ILE A 138 -6.972 -0.396 -3.587 1.00 0.00 H new ATOM 0 HD12 ILE A 138 -5.260 -0.179 -3.154 1.00 0.00 H new ATOM 0 HD13 ILE A 138 -6.485 -0.357 -1.876 1.00 0.00 H new ATOM 2108 N VAL A 139 -2.799 4.345 -1.651 1.00 0.00 N ATOM 2109 CA VAL A 139 -1.942 5.073 -0.714 1.00 0.00 C ATOM 2110 C VAL A 139 -2.722 6.276 -0.176 1.00 0.00 C ATOM 2111 O VAL A 139 -3.166 7.130 -0.951 1.00 0.00 O ATOM 2112 CB VAL A 139 -0.641 5.537 -1.428 1.00 0.00 C ATOM 2113 CG1 VAL A 139 0.263 6.311 -0.454 1.00 0.00 C ATOM 2114 CG2 VAL A 139 0.122 4.313 -1.960 1.00 0.00 C ATOM 0 H VAL A 139 -3.090 4.890 -2.462 1.00 0.00 H new ATOM 0 HA VAL A 139 -1.656 4.424 0.114 1.00 0.00 H new ATOM 0 HB VAL A 139 -0.915 6.192 -2.255 1.00 0.00 H new ATOM 0 HG11 VAL A 139 1.169 6.628 -0.972 1.00 0.00 H new ATOM 0 HG12 VAL A 139 -0.268 7.188 -0.083 1.00 0.00 H new ATOM 0 HG13 VAL A 139 0.530 5.667 0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 139 1.033 4.641 -2.460 1.00 0.00 H new ATOM 0 HG22 VAL A 139 0.380 3.656 -1.129 1.00 0.00 H new ATOM 0 HG23 VAL A 139 -0.506 3.773 -2.668 1.00 0.00 H new ATOM 2124 N ALA A 140 -2.918 6.313 1.149 1.00 0.00 N ATOM 2125 CA ALA A 140 -3.690 7.391 1.779 1.00 0.00 C ATOM 2126 C ALA A 140 -2.967 7.971 2.985 1.00 0.00 C ATOM 2127 O ALA A 140 -2.359 7.239 3.769 1.00 0.00 O ATOM 2128 CB ALA A 140 -5.069 6.876 2.199 1.00 0.00 C ATOM 0 H ALA A 140 -2.556 5.616 1.800 1.00 0.00 H new ATOM 0 HA ALA A 140 -3.806 8.186 1.043 1.00 0.00 H new ATOM 0 HB1 ALA A 140 -5.633 7.684 2.665 1.00 0.00 H new ATOM 0 HB2 ALA A 140 -5.607 6.518 1.321 1.00 0.00 H new ATOM 0 HB3 ALA A 140 -4.951 6.059 2.910 1.00 0.00 H new ATOM 2134 N LYS A 141 -3.043 9.297 3.121 1.00 0.00 N ATOM 2135 CA LYS A 141 -2.405 10.002 4.225 1.00 0.00 C ATOM 2136 C LYS A 141 -3.429 10.337 5.302 1.00 0.00 C ATOM 2137 O LYS A 141 -4.519 10.833 4.994 1.00 0.00 O ATOM 2138 CB LYS A 141 -1.773 11.304 3.723 1.00 0.00 C ATOM 2139 CG LYS A 141 -0.645 11.736 4.681 1.00 0.00 C ATOM 2140 CD LYS A 141 -0.289 13.213 4.448 1.00 0.00 C ATOM 2141 CE LYS A 141 -1.321 14.107 5.149 1.00 0.00 C ATOM 2142 NZ LYS A 141 -0.870 15.528 5.098 1.00 0.00 N ATOM 0 H LYS A 141 -3.545 9.904 2.473 1.00 0.00 H new ATOM 0 HA LYS A 141 -1.634 9.355 4.643 1.00 0.00 H new ATOM 0 HB2 LYS A 141 -1.376 11.163 2.718 1.00 0.00 H new ATOM 0 HB3 LYS A 141 -2.529 12.086 3.660 1.00 0.00 H new ATOM 0 HG2 LYS A 141 -0.959 11.588 5.714 1.00 0.00 H new ATOM 0 HG3 LYS A 141 0.235 11.113 4.523 1.00 0.00 H new ATOM 0 HD2 LYS A 141 0.709 13.422 4.832 1.00 0.00 H new ATOM 0 HD3 LYS A 141 -0.271 13.429 3.380 1.00 0.00 H new ATOM 0 HE2 LYS A 141 -2.293 14.006 4.665 1.00 0.00 H new ATOM 0 HE3 LYS A 141 -1.446 13.792 6.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 141 -1.571 16.132 5.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 141 0.048 15.618 5.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 141 -0.772 15.826 4.106 1.00 0.00 H new ATOM 2156 N ALA A 142 -3.064 10.094 6.567 1.00 0.00 N ATOM 2157 CA ALA A 142 -3.949 10.404 7.687 1.00 0.00 C ATOM 2158 C ALA A 142 -4.040 11.912 7.879 1.00 0.00 C ATOM 2159 O ALA A 142 -3.053 12.557 8.249 1.00 0.00 O ATOM 2160 CB ALA A 142 -3.424 9.750 8.965 1.00 0.00 C ATOM 0 H ALA A 142 -2.168 9.687 6.835 1.00 0.00 H new ATOM 0 HA ALA A 142 -4.943 10.013 7.469 1.00 0.00 H new ATOM 0 HB1 ALA A 142 -4.090 9.986 9.795 1.00 0.00 H new ATOM 0 HB2 ALA A 142 -3.382 8.669 8.830 1.00 0.00 H new ATOM 0 HB3 ALA A 142 -2.425 10.127 9.183 1.00 0.00 H new