USER MOD reduce.3.24.130724 H: found=0, std=0, add=913, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 914 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 6 SER OG : rot -31:sc= 0.392 USER MOD Set 1.2: A 54 MET CE :methyl -167:sc= -0.247 (180deg=-0.401) USER MOD Set 1.3: A 71 GLN : amide:sc= -0.238 X(o=-0.093,f=0.047) USER MOD Set 2.1: A 44 MET CE :methyl 152:sc= 0 (180deg=-0.0217) USER MOD Set 2.2: A 99 HIS : no HE2:sc= -0.0668! C(o=-0.067!,f=-5.5!) USER MOD Single : A 7 THR OG1 : rot -66:sc= 1.17 USER MOD Single : A 8 THR OG1 : rot 180:sc=0.000449 USER MOD Single : A 12 GLN : amide:sc= -0.0503 X(o=-0.05,f=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 106:sc= 1.26 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 71:sc= 1.23 USER MOD Single : A 23 ASN : amide:sc= -1.33 K(o=-1.3,f=-0.36) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ -170:sc=-0.000872 (180deg=-0.0793) USER MOD Single : A 33 LYS NZ :NH3+ -174:sc=-0.00531 (180deg=-0.0951) USER MOD Single : A 34 LYS NZ :NH3+ 170:sc= -0.0372 (180deg=-0.221) USER MOD Single : A 42 THR OG1 : rot 80:sc= 1.22 USER MOD Single : A 43 THR OG1 : rot 76:sc= 0.747 USER MOD Single : A 46 TYR OH : rot 180:sc= -1.25 USER MOD Single : A 48 LYS NZ :NH3+ 152:sc= 1.2 (180deg=1.06) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 53 LYS NZ :NH3+ -173:sc= 0.499 (180deg=0.444) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.133 K(o=0.13,f=-1.2) USER MOD Single : A 70 HIS : no HD1:sc= -0.105 X(o=-0.1,f=0) USER MOD Single : A 74 HIS : no HD1:sc=-0.00736 X(o=-0.0074,f=-0.0088) USER MOD Single : A 83 THR OG1 : rot 78:sc= 0.0937 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= -2.37! K(o=-2.4!,f=-0.74) USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.984 K(o=-0.98,f=-0.00027) USER MOD Single : A 96 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 106 LYS NZ :NH3+ 171:sc= 0.852 (180deg=0.751) USER MOD Single : A 109 GLN : amide:sc= -0.301 K(o=-0.3,f=-2.9!) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 ASN : amide:sc= 0.356 X(o=0.36,f=0) USER MOD Single : A 112 ASN : amide:sc= 1.15 K(o=1.2,f=-0.59) USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot -47:sc= 1.11 USER MOD Single : A 121 LYS NZ :NH3+ 133:sc= -0.0442 (180deg=-0.427) USER MOD ----------------------------------------------------------------- ATOM 85 N SER A 6 6.545 9.682 -4.339 1.00 0.00 N ATOM 86 CA SER A 6 5.243 10.229 -4.016 1.00 0.00 C ATOM 87 C SER A 6 5.198 10.708 -2.567 1.00 0.00 C ATOM 88 O SER A 6 5.188 9.899 -1.638 1.00 0.00 O ATOM 89 CB SER A 6 4.170 9.171 -4.269 1.00 0.00 C ATOM 90 OG SER A 6 4.513 7.945 -3.651 1.00 0.00 O ATOM 0 HA SER A 6 5.053 11.091 -4.655 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.212 9.521 -3.885 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.048 9.020 -5.342 1.00 0.00 H new ATOM 0 HG SER A 6 5.488 7.850 -3.632 1.00 0.00 H new ATOM 96 N THR A 7 5.189 12.020 -2.377 1.00 0.00 N ATOM 97 CA THR A 7 5.105 12.587 -1.042 1.00 0.00 C ATOM 98 C THR A 7 3.657 12.621 -0.562 1.00 0.00 C ATOM 99 O THR A 7 2.750 12.207 -1.285 1.00 0.00 O ATOM 100 CB THR A 7 5.699 14.010 -0.988 1.00 0.00 C ATOM 101 OG1 THR A 7 4.997 14.877 -1.890 1.00 0.00 O ATOM 102 CG2 THR A 7 7.178 13.992 -1.343 1.00 0.00 C ATOM 0 H THR A 7 5.239 12.708 -3.128 1.00 0.00 H new ATOM 0 HA THR A 7 5.691 11.946 -0.383 1.00 0.00 H new ATOM 0 HB THR A 7 5.588 14.384 0.030 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.160 14.590 -2.813 1.00 0.00 H new ATOM 0 HG21 THR A 7 7.575 15.006 -1.298 1.00 0.00 H new ATOM 0 HG22 THR A 7 7.715 13.361 -0.635 1.00 0.00 H new ATOM 0 HG23 THR A 7 7.306 13.596 -2.351 1.00 0.00 H new ATOM 110 N THR A 8 3.437 13.118 0.646 1.00 0.00 N ATOM 111 CA THR A 8 2.100 13.176 1.212 1.00 0.00 C ATOM 112 C THR A 8 1.174 14.039 0.350 1.00 0.00 C ATOM 113 O THR A 8 -0.005 13.726 0.176 1.00 0.00 O ATOM 114 CB THR A 8 2.144 13.717 2.653 1.00 0.00 C ATOM 115 OG1 THR A 8 3.202 13.070 3.382 1.00 0.00 O ATOM 116 CG2 THR A 8 0.823 13.475 3.364 1.00 0.00 C ATOM 0 H THR A 8 4.169 13.487 1.253 1.00 0.00 H new ATOM 0 HA THR A 8 1.701 12.162 1.231 1.00 0.00 H new ATOM 0 HB THR A 8 2.326 14.791 2.610 1.00 0.00 H new ATOM 0 HG1 THR A 8 3.228 13.418 4.298 1.00 0.00 H new ATOM 0 HG21 THR A 8 0.880 13.866 4.380 1.00 0.00 H new ATOM 0 HG22 THR A 8 0.022 13.980 2.825 1.00 0.00 H new ATOM 0 HG23 THR A 8 0.619 12.405 3.398 1.00 0.00 H new ATOM 124 N GLU A 9 1.729 15.100 -0.224 1.00 0.00 N ATOM 125 CA GLU A 9 0.960 16.003 -1.065 1.00 0.00 C ATOM 126 C GLU A 9 0.512 15.300 -2.340 1.00 0.00 C ATOM 127 O GLU A 9 -0.630 15.444 -2.772 1.00 0.00 O ATOM 128 CB GLU A 9 1.787 17.238 -1.413 1.00 0.00 C ATOM 129 CG GLU A 9 2.368 17.936 -0.197 1.00 0.00 C ATOM 130 CD GLU A 9 1.311 18.312 0.817 1.00 0.00 C ATOM 131 OE1 GLU A 9 0.756 19.424 0.719 1.00 0.00 O ATOM 132 OE2 GLU A 9 1.033 17.495 1.719 1.00 0.00 O ATOM 0 H GLU A 9 2.711 15.355 -0.121 1.00 0.00 H new ATOM 0 HA GLU A 9 0.075 16.315 -0.510 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.600 16.946 -2.078 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.162 17.942 -1.963 1.00 0.00 H new ATOM 0 HG2 GLU A 9 3.103 17.284 0.275 1.00 0.00 H new ATOM 0 HG3 GLU A 9 2.896 18.834 -0.516 1.00 0.00 H new ATOM 139 N ASP A 10 1.415 14.525 -2.930 1.00 0.00 N ATOM 140 CA ASP A 10 1.104 13.770 -4.137 1.00 0.00 C ATOM 141 C ASP A 10 0.085 12.692 -3.816 1.00 0.00 C ATOM 142 O ASP A 10 -0.817 12.408 -4.608 1.00 0.00 O ATOM 143 CB ASP A 10 2.357 13.116 -4.726 1.00 0.00 C ATOM 144 CG ASP A 10 3.496 14.090 -4.933 1.00 0.00 C ATOM 145 OD1 ASP A 10 4.523 13.960 -4.236 1.00 0.00 O ATOM 146 OD2 ASP A 10 3.374 14.991 -5.786 1.00 0.00 O ATOM 0 H ASP A 10 2.369 14.403 -2.591 1.00 0.00 H new ATOM 0 HA ASP A 10 0.699 14.465 -4.873 1.00 0.00 H new ATOM 0 HB2 ASP A 10 2.687 12.316 -4.063 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.104 12.655 -5.681 1.00 0.00 H new ATOM 151 N LEU A 11 0.231 12.109 -2.633 1.00 0.00 N ATOM 152 CA LEU A 11 -0.639 11.035 -2.186 1.00 0.00 C ATOM 153 C LEU A 11 -2.077 11.518 -2.034 1.00 0.00 C ATOM 154 O LEU A 11 -3.018 10.791 -2.349 1.00 0.00 O ATOM 155 CB LEU A 11 -0.124 10.444 -0.872 1.00 0.00 C ATOM 156 CG LEU A 11 -0.977 9.320 -0.297 1.00 0.00 C ATOM 157 CD1 LEU A 11 -0.966 8.122 -1.227 1.00 0.00 C ATOM 158 CD2 LEU A 11 -0.483 8.932 1.086 1.00 0.00 C ATOM 0 H LEU A 11 0.953 12.368 -1.961 1.00 0.00 H new ATOM 0 HA LEU A 11 -0.630 10.253 -2.945 1.00 0.00 H new ATOM 0 HB2 LEU A 11 0.887 10.069 -1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.055 11.243 -0.133 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.004 9.674 -0.205 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.579 7.327 -0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.367 8.412 -2.198 1.00 0.00 H new ATOM 0 HD13 LEU A 11 0.057 7.765 -1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -1.104 8.128 1.482 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.551 8.594 1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.542 9.795 1.749 1.00 0.00 H new ATOM 170 N GLN A 12 -2.245 12.760 -1.586 1.00 0.00 N ATOM 171 CA GLN A 12 -3.578 13.326 -1.402 1.00 0.00 C ATOM 172 C GLN A 12 -4.262 13.525 -2.746 1.00 0.00 C ATOM 173 O GLN A 12 -5.487 13.592 -2.831 1.00 0.00 O ATOM 174 CB GLN A 12 -3.517 14.657 -0.646 1.00 0.00 C ATOM 175 CG GLN A 12 -3.115 14.534 0.817 1.00 0.00 C ATOM 176 CD GLN A 12 -3.189 15.859 1.553 1.00 0.00 C ATOM 177 OE1 GLN A 12 -4.231 16.220 2.102 1.00 0.00 O ATOM 178 NE2 GLN A 12 -2.085 16.589 1.576 1.00 0.00 N ATOM 0 H GLN A 12 -1.480 13.390 -1.345 1.00 0.00 H new ATOM 0 HA GLN A 12 -4.158 12.621 -0.807 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -2.809 15.315 -1.150 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -4.494 15.137 -0.702 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -3.766 13.811 1.310 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -2.099 14.143 0.880 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.242 16.254 1.109 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.077 17.486 2.061 1.00 0.00 H new ATOM 187 N ARG A 13 -3.462 13.597 -3.795 1.00 0.00 N ATOM 188 CA ARG A 13 -3.980 13.780 -5.141 1.00 0.00 C ATOM 189 C ARG A 13 -4.469 12.451 -5.704 1.00 0.00 C ATOM 190 O ARG A 13 -5.629 12.325 -6.099 1.00 0.00 O ATOM 191 CB ARG A 13 -2.909 14.382 -6.044 1.00 0.00 C ATOM 192 CG ARG A 13 -2.456 15.760 -5.597 1.00 0.00 C ATOM 193 CD ARG A 13 -1.294 16.262 -6.430 1.00 0.00 C ATOM 194 NE ARG A 13 -0.769 17.531 -5.931 1.00 0.00 N ATOM 195 CZ ARG A 13 0.485 17.942 -6.119 1.00 0.00 C ATOM 196 NH1 ARG A 13 1.341 17.190 -6.803 1.00 0.00 N ATOM 197 NH2 ARG A 13 0.885 19.104 -5.616 1.00 0.00 N ATOM 0 H ARG A 13 -2.446 13.531 -3.741 1.00 0.00 H new ATOM 0 HA ARG A 13 -4.823 14.469 -5.100 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.048 13.714 -6.070 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.294 14.446 -7.062 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.288 16.460 -5.673 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -2.164 15.725 -4.547 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -0.499 15.516 -6.430 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -1.616 16.385 -7.464 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.400 18.138 -5.408 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.039 16.294 -7.187 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.300 17.509 -6.944 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.233 19.682 -5.086 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.845 19.419 -5.760 1.00 0.00 H new ATOM 211 N TYR A 14 -3.585 11.454 -5.710 1.00 0.00 N ATOM 212 CA TYR A 14 -3.928 10.123 -6.215 1.00 0.00 C ATOM 213 C TYR A 14 -5.144 9.565 -5.486 1.00 0.00 C ATOM 214 O TYR A 14 -6.074 9.043 -6.103 1.00 0.00 O ATOM 215 CB TYR A 14 -2.764 9.144 -6.034 1.00 0.00 C ATOM 216 CG TYR A 14 -1.450 9.600 -6.635 1.00 0.00 C ATOM 217 CD1 TYR A 14 -0.272 9.542 -5.900 1.00 0.00 C ATOM 218 CD2 TYR A 14 -1.384 10.083 -7.935 1.00 0.00 C ATOM 219 CE1 TYR A 14 0.931 9.948 -6.443 1.00 0.00 C ATOM 220 CE2 TYR A 14 -0.184 10.492 -8.486 1.00 0.00 C ATOM 221 CZ TYR A 14 0.971 10.422 -7.734 1.00 0.00 C ATOM 222 OH TYR A 14 2.172 10.824 -8.277 1.00 0.00 O ATOM 0 H TYR A 14 -2.627 11.541 -5.372 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.149 10.232 -7.277 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.618 8.968 -4.968 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.039 8.188 -6.480 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.298 9.173 -4.885 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.286 10.140 -8.526 1.00 0.00 H new ATOM 0 HE1 TYR A 14 1.836 9.894 -5.857 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.151 10.864 -9.499 1.00 0.00 H new ATOM 0 HH TYR A 14 2.029 11.131 -9.197 1.00 0.00 H new ATOM 232 N ARG A 15 -5.130 9.700 -4.169 1.00 0.00 N ATOM 233 CA ARG A 15 -6.165 9.138 -3.317 1.00 0.00 C ATOM 234 C ARG A 15 -7.516 9.794 -3.589 1.00 0.00 C ATOM 235 O ARG A 15 -8.551 9.131 -3.572 1.00 0.00 O ATOM 236 CB ARG A 15 -5.737 9.278 -1.850 1.00 0.00 C ATOM 237 CG ARG A 15 -6.760 9.926 -0.929 1.00 0.00 C ATOM 238 CD ARG A 15 -6.262 9.934 0.509 1.00 0.00 C ATOM 239 NE ARG A 15 -7.215 10.549 1.426 1.00 0.00 N ATOM 240 CZ ARG A 15 -7.294 10.238 2.717 1.00 0.00 C ATOM 241 NH1 ARG A 15 -6.503 9.295 3.223 1.00 0.00 N ATOM 242 NH2 ARG A 15 -8.173 10.856 3.496 1.00 0.00 N ATOM 0 H ARG A 15 -4.401 10.202 -3.662 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.288 8.078 -3.541 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -5.501 8.287 -1.462 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -4.818 9.862 -1.812 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.956 10.947 -1.257 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -7.704 9.385 -0.989 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.065 8.910 0.828 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -5.315 10.472 0.559 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.854 11.254 1.058 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.837 8.811 2.621 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.563 9.056 4.213 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -8.788 11.569 3.105 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -8.233 10.617 4.486 1.00 0.00 H new ATOM 256 N THR A 16 -7.492 11.087 -3.874 1.00 0.00 N ATOM 257 CA THR A 16 -8.702 11.826 -4.192 1.00 0.00 C ATOM 258 C THR A 16 -9.346 11.307 -5.475 1.00 0.00 C ATOM 259 O THR A 16 -10.550 11.033 -5.515 1.00 0.00 O ATOM 260 CB THR A 16 -8.385 13.324 -4.340 1.00 0.00 C ATOM 261 OG1 THR A 16 -8.085 13.886 -3.055 1.00 0.00 O ATOM 262 CG2 THR A 16 -9.533 14.075 -4.988 1.00 0.00 C ATOM 0 H THR A 16 -6.641 11.649 -3.891 1.00 0.00 H new ATOM 0 HA THR A 16 -9.406 11.683 -3.372 1.00 0.00 H new ATOM 0 HB THR A 16 -7.517 13.424 -4.991 1.00 0.00 H new ATOM 0 HG1 THR A 16 -7.122 14.052 -2.987 1.00 0.00 H new ATOM 0 HG21 THR A 16 -9.274 15.130 -5.076 1.00 0.00 H new ATOM 0 HG22 THR A 16 -9.723 13.664 -5.979 1.00 0.00 H new ATOM 0 HG23 THR A 16 -10.428 13.971 -4.374 1.00 0.00 H new ATOM 270 N GLU A 17 -8.537 11.165 -6.517 1.00 0.00 N ATOM 271 CA GLU A 17 -9.031 10.699 -7.807 1.00 0.00 C ATOM 272 C GLU A 17 -9.564 9.274 -7.701 1.00 0.00 C ATOM 273 O GLU A 17 -10.574 8.942 -8.317 1.00 0.00 O ATOM 274 CB GLU A 17 -7.941 10.772 -8.880 1.00 0.00 C ATOM 275 CG GLU A 17 -7.190 12.091 -8.885 1.00 0.00 C ATOM 276 CD GLU A 17 -8.100 13.258 -9.201 1.00 0.00 C ATOM 277 OE1 GLU A 17 -8.402 14.051 -8.284 1.00 0.00 O ATOM 278 OE2 GLU A 17 -8.536 13.375 -10.367 1.00 0.00 O ATOM 0 H GLU A 17 -7.537 11.365 -6.495 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.847 11.359 -8.102 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -7.232 9.959 -8.724 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -8.394 10.616 -9.859 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.724 12.247 -7.912 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -6.386 12.048 -9.620 1.00 0.00 H new ATOM 285 N CYS A 18 -8.901 8.439 -6.909 1.00 0.00 N ATOM 286 CA CYS A 18 -9.369 7.075 -6.692 1.00 0.00 C ATOM 287 C CYS A 18 -10.701 7.080 -5.957 1.00 0.00 C ATOM 288 O CYS A 18 -11.577 6.262 -6.236 1.00 0.00 O ATOM 289 CB CYS A 18 -8.336 6.255 -5.920 1.00 0.00 C ATOM 290 SG CYS A 18 -6.799 5.956 -6.853 1.00 0.00 S ATOM 0 H CYS A 18 -8.045 8.680 -6.410 1.00 0.00 H new ATOM 0 HA CYS A 18 -9.510 6.608 -7.667 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.093 6.772 -4.992 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.777 5.297 -5.645 1.00 0.00 H new ATOM 295 N VAL A 19 -10.864 8.031 -5.043 1.00 0.00 N ATOM 296 CA VAL A 19 -12.100 8.170 -4.296 1.00 0.00 C ATOM 297 C VAL A 19 -13.256 8.513 -5.228 1.00 0.00 C ATOM 298 O VAL A 19 -14.275 7.822 -5.249 1.00 0.00 O ATOM 299 CB VAL A 19 -11.970 9.236 -3.182 1.00 0.00 C ATOM 300 CG1 VAL A 19 -13.332 9.773 -2.772 1.00 0.00 C ATOM 301 CG2 VAL A 19 -11.254 8.642 -1.981 1.00 0.00 C ATOM 0 H VAL A 19 -10.149 8.718 -4.804 1.00 0.00 H new ATOM 0 HA VAL A 19 -12.308 7.212 -3.820 1.00 0.00 H new ATOM 0 HB VAL A 19 -11.387 10.070 -3.572 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -13.208 10.520 -1.988 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -13.818 10.230 -3.634 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -13.948 8.955 -2.399 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -11.165 9.397 -1.200 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -11.823 7.793 -1.602 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -10.260 8.309 -2.278 1.00 0.00 H new ATOM 311 N SER A 20 -13.070 9.557 -6.021 1.00 0.00 N ATOM 312 CA SER A 20 -14.110 10.035 -6.919 1.00 0.00 C ATOM 313 C SER A 20 -14.411 9.030 -8.039 1.00 0.00 C ATOM 314 O SER A 20 -15.489 9.064 -8.632 1.00 0.00 O ATOM 315 CB SER A 20 -13.694 11.382 -7.512 1.00 0.00 C ATOM 316 OG SER A 20 -14.725 11.934 -8.321 1.00 0.00 O ATOM 0 H SER A 20 -12.203 10.092 -6.061 1.00 0.00 H new ATOM 0 HA SER A 20 -15.026 10.154 -6.340 1.00 0.00 H new ATOM 0 HB2 SER A 20 -13.450 12.076 -6.707 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.790 11.255 -8.108 1.00 0.00 H new ATOM 0 HG SER A 20 -14.430 12.795 -8.684 1.00 0.00 H new ATOM 322 N SER A 21 -13.471 8.138 -8.329 1.00 0.00 N ATOM 323 CA SER A 21 -13.652 7.178 -9.405 1.00 0.00 C ATOM 324 C SER A 21 -14.314 5.897 -8.899 1.00 0.00 C ATOM 325 O SER A 21 -15.247 5.392 -9.516 1.00 0.00 O ATOM 326 CB SER A 21 -12.305 6.856 -10.041 1.00 0.00 C ATOM 327 OG SER A 21 -11.681 8.032 -10.537 1.00 0.00 O ATOM 0 H SER A 21 -12.581 8.061 -7.836 1.00 0.00 H new ATOM 0 HA SER A 21 -14.309 7.622 -10.152 1.00 0.00 H new ATOM 0 HB2 SER A 21 -11.657 6.379 -9.306 1.00 0.00 H new ATOM 0 HB3 SER A 21 -12.444 6.143 -10.854 1.00 0.00 H new ATOM 0 HG SER A 21 -11.384 8.587 -9.786 1.00 0.00 H new ATOM 333 N LEU A 22 -13.843 5.386 -7.767 1.00 0.00 N ATOM 334 CA LEU A 22 -14.350 4.126 -7.231 1.00 0.00 C ATOM 335 C LEU A 22 -15.595 4.336 -6.370 1.00 0.00 C ATOM 336 O LEU A 22 -16.024 3.427 -5.657 1.00 0.00 O ATOM 337 CB LEU A 22 -13.258 3.431 -6.419 1.00 0.00 C ATOM 338 CG LEU A 22 -12.071 2.935 -7.238 1.00 0.00 C ATOM 339 CD1 LEU A 22 -10.937 2.518 -6.323 1.00 0.00 C ATOM 340 CD2 LEU A 22 -12.491 1.773 -8.117 1.00 0.00 C ATOM 0 H LEU A 22 -13.113 5.822 -7.204 1.00 0.00 H new ATOM 0 HA LEU A 22 -14.636 3.495 -8.073 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.894 4.123 -5.659 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.699 2.584 -5.894 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.722 3.748 -7.875 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.097 2.166 -6.922 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.622 3.371 -5.722 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -11.275 1.716 -5.666 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -11.635 1.428 -8.697 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -12.859 0.959 -7.493 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.281 2.096 -8.794 1.00 0.00 H new ATOM 352 N ASN A 23 -16.160 5.543 -6.445 1.00 0.00 N ATOM 353 CA ASN A 23 -17.371 5.904 -5.696 1.00 0.00 C ATOM 354 C ASN A 23 -17.190 5.664 -4.193 1.00 0.00 C ATOM 355 O ASN A 23 -18.129 5.273 -3.490 1.00 0.00 O ATOM 356 CB ASN A 23 -18.576 5.117 -6.223 1.00 0.00 C ATOM 357 CG ASN A 23 -19.902 5.639 -5.703 1.00 0.00 C ATOM 358 OD1 ASN A 23 -20.821 4.868 -5.432 1.00 0.00 O ATOM 359 ND2 ASN A 23 -20.023 6.951 -5.589 1.00 0.00 N ATOM 0 H ASN A 23 -15.794 6.298 -7.025 1.00 0.00 H new ATOM 0 HA ASN A 23 -17.553 6.969 -5.843 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -18.579 5.156 -7.312 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -18.469 4.069 -5.942 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -20.902 7.356 -5.267 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -19.237 7.558 -5.824 1.00 0.00 H new ATOM 366 N ILE A 24 -15.976 5.898 -3.704 1.00 0.00 N ATOM 367 CA ILE A 24 -15.664 5.706 -2.297 1.00 0.00 C ATOM 368 C ILE A 24 -16.421 6.717 -1.445 1.00 0.00 C ATOM 369 O ILE A 24 -16.289 7.925 -1.645 1.00 0.00 O ATOM 370 CB ILE A 24 -14.151 5.854 -2.030 1.00 0.00 C ATOM 371 CG1 ILE A 24 -13.337 5.001 -3.017 1.00 0.00 C ATOM 372 CG2 ILE A 24 -13.831 5.461 -0.593 1.00 0.00 C ATOM 373 CD1 ILE A 24 -13.596 3.512 -2.911 1.00 0.00 C ATOM 0 H ILE A 24 -15.190 6.223 -4.267 1.00 0.00 H new ATOM 0 HA ILE A 24 -15.969 4.694 -2.030 1.00 0.00 H new ATOM 0 HB ILE A 24 -13.874 6.898 -2.177 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -13.562 5.326 -4.033 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -12.276 5.187 -2.851 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -12.761 5.569 -0.416 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -14.379 6.108 0.092 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -14.123 4.424 -0.426 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -12.983 2.983 -3.641 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -13.343 3.169 -1.908 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -14.649 3.311 -3.108 1.00 0.00 H new ATOM 385 N PRO A 25 -17.243 6.233 -0.499 1.00 0.00 N ATOM 386 CA PRO A 25 -18.002 7.093 0.406 1.00 0.00 C ATOM 387 C PRO A 25 -17.089 7.966 1.253 1.00 0.00 C ATOM 388 O PRO A 25 -16.054 7.516 1.755 1.00 0.00 O ATOM 389 CB PRO A 25 -18.775 6.116 1.293 1.00 0.00 C ATOM 390 CG PRO A 25 -18.749 4.815 0.578 1.00 0.00 C ATOM 391 CD PRO A 25 -17.491 4.807 -0.242 1.00 0.00 C ATOM 0 HA PRO A 25 -18.649 7.781 -0.139 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -18.313 6.031 2.277 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -19.799 6.456 1.450 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -18.758 3.984 1.283 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -19.628 4.703 -0.057 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.663 4.346 0.297 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -17.619 4.248 -1.169 1.00 0.00 H new ATOM 399 N ALA A 26 -17.499 9.221 1.408 1.00 0.00 N ATOM 400 CA ALA A 26 -16.730 10.219 2.139 1.00 0.00 C ATOM 401 C ALA A 26 -16.450 9.765 3.563 1.00 0.00 C ATOM 402 O ALA A 26 -15.414 10.095 4.132 1.00 0.00 O ATOM 403 CB ALA A 26 -17.481 11.536 2.150 1.00 0.00 C ATOM 0 H ALA A 26 -18.377 9.574 1.028 1.00 0.00 H new ATOM 0 HA ALA A 26 -15.773 10.350 1.635 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -16.903 12.280 2.698 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.633 11.877 1.126 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -18.448 11.399 2.634 1.00 0.00 H new ATOM 409 N ASP A 27 -17.388 9.015 4.132 1.00 0.00 N ATOM 410 CA ASP A 27 -17.230 8.459 5.474 1.00 0.00 C ATOM 411 C ASP A 27 -15.957 7.617 5.578 1.00 0.00 C ATOM 412 O ASP A 27 -15.194 7.746 6.538 1.00 0.00 O ATOM 413 CB ASP A 27 -18.442 7.608 5.838 1.00 0.00 C ATOM 414 CG ASP A 27 -18.353 7.049 7.243 1.00 0.00 C ATOM 415 OD1 ASP A 27 -17.785 5.952 7.421 1.00 0.00 O ATOM 416 OD2 ASP A 27 -18.853 7.706 8.180 1.00 0.00 O ATOM 0 H ASP A 27 -18.272 8.776 3.682 1.00 0.00 H new ATOM 0 HA ASP A 27 -17.149 9.291 6.173 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -19.346 8.210 5.746 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -18.532 6.786 5.128 1.00 0.00 H new ATOM 421 N TYR A 28 -15.737 6.755 4.585 1.00 0.00 N ATOM 422 CA TYR A 28 -14.535 5.932 4.532 1.00 0.00 C ATOM 423 C TYR A 28 -13.289 6.800 4.403 1.00 0.00 C ATOM 424 O TYR A 28 -12.259 6.516 5.006 1.00 0.00 O ATOM 425 CB TYR A 28 -14.616 4.948 3.359 1.00 0.00 C ATOM 426 CG TYR A 28 -15.513 3.757 3.628 1.00 0.00 C ATOM 427 CD1 TYR A 28 -14.983 2.505 3.927 1.00 0.00 C ATOM 428 CD2 TYR A 28 -16.892 3.888 3.585 1.00 0.00 C ATOM 429 CE1 TYR A 28 -15.807 1.423 4.173 1.00 0.00 C ATOM 430 CE2 TYR A 28 -17.722 2.812 3.830 1.00 0.00 C ATOM 431 CZ TYR A 28 -17.177 1.582 4.122 1.00 0.00 C ATOM 432 OH TYR A 28 -18.007 0.510 4.365 1.00 0.00 O ATOM 0 H TYR A 28 -16.379 6.611 3.806 1.00 0.00 H new ATOM 0 HA TYR A 28 -14.467 5.369 5.463 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -14.981 5.475 2.478 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -13.613 4.591 3.125 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -13.911 2.377 3.967 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -17.326 4.850 3.355 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -15.381 0.458 4.404 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -18.794 2.935 3.793 1.00 0.00 H new ATOM 0 HH TYR A 28 -18.941 0.796 4.290 1.00 0.00 H new ATOM 442 N VAL A 29 -13.404 7.866 3.619 1.00 0.00 N ATOM 443 CA VAL A 29 -12.299 8.787 3.389 1.00 0.00 C ATOM 444 C VAL A 29 -11.839 9.434 4.698 1.00 0.00 C ATOM 445 O VAL A 29 -10.638 9.622 4.927 1.00 0.00 O ATOM 446 CB VAL A 29 -12.697 9.875 2.382 1.00 0.00 C ATOM 447 CG1 VAL A 29 -11.525 10.794 2.096 1.00 0.00 C ATOM 448 CG2 VAL A 29 -13.204 9.242 1.099 1.00 0.00 C ATOM 0 H VAL A 29 -14.262 8.115 3.127 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.471 8.211 2.977 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.499 10.472 2.816 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -11.828 11.558 1.380 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.203 11.271 3.021 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -10.701 10.214 1.681 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -13.483 10.024 0.393 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.419 8.623 0.664 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -14.074 8.623 1.318 1.00 0.00 H new ATOM 458 N GLU A 30 -12.800 9.766 5.555 1.00 0.00 N ATOM 459 CA GLU A 30 -12.499 10.309 6.881 1.00 0.00 C ATOM 460 C GLU A 30 -11.660 9.315 7.685 1.00 0.00 C ATOM 461 O GLU A 30 -10.715 9.703 8.376 1.00 0.00 O ATOM 462 CB GLU A 30 -13.778 10.632 7.653 1.00 0.00 C ATOM 463 CG GLU A 30 -14.821 11.381 6.841 1.00 0.00 C ATOM 464 CD GLU A 30 -14.363 12.767 6.441 1.00 0.00 C ATOM 465 OE1 GLU A 30 -14.177 13.616 7.339 1.00 0.00 O ATOM 466 OE2 GLU A 30 -14.206 13.025 5.229 1.00 0.00 O ATOM 0 H GLU A 30 -13.796 9.669 5.357 1.00 0.00 H new ATOM 0 HA GLU A 30 -11.936 11.232 6.738 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.215 9.702 8.016 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.520 11.226 8.530 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -15.058 10.808 5.945 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.740 11.460 7.422 1.00 0.00 H new ATOM 473 N LYS A 31 -11.998 8.032 7.574 1.00 0.00 N ATOM 474 CA LYS A 31 -11.248 6.980 8.254 1.00 0.00 C ATOM 475 C LYS A 31 -9.811 6.955 7.754 1.00 0.00 C ATOM 476 O LYS A 31 -8.869 6.962 8.543 1.00 0.00 O ATOM 477 CB LYS A 31 -11.879 5.607 8.024 1.00 0.00 C ATOM 478 CG LYS A 31 -13.293 5.479 8.561 1.00 0.00 C ATOM 479 CD LYS A 31 -13.813 4.058 8.410 1.00 0.00 C ATOM 480 CE LYS A 31 -15.244 3.930 8.918 1.00 0.00 C ATOM 481 NZ LYS A 31 -15.331 4.137 10.387 1.00 0.00 N ATOM 0 H LYS A 31 -12.786 7.697 7.020 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.268 7.199 9.322 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.887 5.397 6.954 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -11.253 4.848 8.493 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -13.313 5.766 9.612 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -13.950 6.168 8.030 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -13.770 3.763 7.361 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -13.168 3.373 8.960 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -15.876 4.659 8.411 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -15.631 2.943 8.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -16.282 3.877 10.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -14.624 3.542 10.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -15.149 5.137 10.608 1.00 0.00 H new ATOM 495 N PHE A 32 -9.663 6.944 6.436 1.00 0.00 N ATOM 496 CA PHE A 32 -8.356 6.881 5.790 1.00 0.00 C ATOM 497 C PHE A 32 -7.460 8.040 6.224 1.00 0.00 C ATOM 498 O PHE A 32 -6.244 7.891 6.324 1.00 0.00 O ATOM 499 CB PHE A 32 -8.510 6.901 4.267 1.00 0.00 C ATOM 500 CG PHE A 32 -9.436 5.847 3.721 1.00 0.00 C ATOM 501 CD1 PHE A 32 -9.552 4.615 4.340 1.00 0.00 C ATOM 502 CD2 PHE A 32 -10.184 6.092 2.582 1.00 0.00 C ATOM 503 CE1 PHE A 32 -10.398 3.649 3.835 1.00 0.00 C ATOM 504 CE2 PHE A 32 -11.033 5.128 2.073 1.00 0.00 C ATOM 505 CZ PHE A 32 -11.140 3.905 2.701 1.00 0.00 C ATOM 0 H PHE A 32 -10.446 6.978 5.783 1.00 0.00 H new ATOM 0 HA PHE A 32 -7.886 5.947 6.097 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.877 7.882 3.964 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -7.527 6.774 3.813 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -8.974 4.407 5.228 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -10.103 7.048 2.086 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -10.479 2.692 4.328 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -11.612 5.332 1.184 1.00 0.00 H new ATOM 0 HZ PHE A 32 -11.803 3.150 2.306 1.00 0.00 H new ATOM 515 N LYS A 33 -8.068 9.193 6.484 1.00 0.00 N ATOM 516 CA LYS A 33 -7.322 10.377 6.897 1.00 0.00 C ATOM 517 C LYS A 33 -6.707 10.165 8.278 1.00 0.00 C ATOM 518 O LYS A 33 -5.680 10.754 8.612 1.00 0.00 O ATOM 519 CB LYS A 33 -8.232 11.602 6.916 1.00 0.00 C ATOM 520 CG LYS A 33 -7.480 12.900 6.677 1.00 0.00 C ATOM 521 CD LYS A 33 -8.415 14.096 6.652 1.00 0.00 C ATOM 522 CE LYS A 33 -7.690 15.364 6.232 1.00 0.00 C ATOM 523 NZ LYS A 33 -6.561 15.694 7.141 1.00 0.00 N ATOM 0 H LYS A 33 -9.076 9.333 6.416 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.521 10.545 6.177 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.002 11.488 6.153 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.742 11.655 7.878 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.734 13.038 7.460 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.942 12.839 5.731 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.237 13.901 5.964 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.853 14.237 7.640 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.313 15.245 5.216 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.395 16.195 6.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.161 16.617 6.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.905 15.734 8.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.826 14.963 7.061 1.00 0.00 H new ATOM 537 N LYS A 34 -7.349 9.326 9.080 1.00 0.00 N ATOM 538 CA LYS A 34 -6.836 8.974 10.398 1.00 0.00 C ATOM 539 C LYS A 34 -6.092 7.639 10.356 1.00 0.00 C ATOM 540 O LYS A 34 -5.917 6.983 11.388 1.00 0.00 O ATOM 541 CB LYS A 34 -7.973 8.903 11.417 1.00 0.00 C ATOM 542 CG LYS A 34 -8.299 10.226 12.099 1.00 0.00 C ATOM 543 CD LYS A 34 -8.747 11.294 11.113 1.00 0.00 C ATOM 544 CE LYS A 34 -9.173 12.567 11.830 1.00 0.00 C ATOM 545 NZ LYS A 34 -8.094 13.109 12.697 1.00 0.00 N ATOM 0 H LYS A 34 -8.231 8.874 8.839 1.00 0.00 H new ATOM 0 HA LYS A 34 -6.137 9.753 10.702 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -8.869 8.537 10.916 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.713 8.170 12.181 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.084 10.066 12.838 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -7.420 10.579 12.638 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.934 11.518 10.422 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.577 10.915 10.516 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -9.458 13.319 11.094 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -10.056 12.363 12.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -8.361 14.057 13.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -7.956 12.480 13.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -7.209 13.170 12.153 1.00 0.00 H new ATOM 559 N TRP A 35 -5.635 7.270 9.158 1.00 0.00 N ATOM 560 CA TRP A 35 -4.960 5.994 8.915 1.00 0.00 C ATOM 561 C TRP A 35 -5.752 4.806 9.459 1.00 0.00 C ATOM 562 O TRP A 35 -5.202 3.932 10.128 1.00 0.00 O ATOM 563 CB TRP A 35 -3.553 6.017 9.511 1.00 0.00 C ATOM 564 CG TRP A 35 -2.642 6.989 8.825 1.00 0.00 C ATOM 565 CD1 TRP A 35 -2.511 8.318 9.101 1.00 0.00 C ATOM 566 CD2 TRP A 35 -1.739 6.711 7.746 1.00 0.00 C ATOM 567 NE1 TRP A 35 -1.577 8.884 8.268 1.00 0.00 N ATOM 568 CE2 TRP A 35 -1.089 7.918 7.428 1.00 0.00 C ATOM 569 CE3 TRP A 35 -1.414 5.561 7.022 1.00 0.00 C ATOM 570 CZ2 TRP A 35 -0.135 8.008 6.420 1.00 0.00 C ATOM 571 CZ3 TRP A 35 -0.467 5.651 6.021 1.00 0.00 C ATOM 572 CH2 TRP A 35 0.164 6.864 5.727 1.00 0.00 C ATOM 0 H TRP A 35 -5.723 7.851 8.325 1.00 0.00 H new ATOM 0 HA TRP A 35 -4.890 5.865 7.835 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.617 6.272 10.569 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -3.122 5.018 9.449 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -3.062 8.848 9.864 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -1.293 9.864 8.274 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.895 4.619 7.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 0.352 8.945 6.192 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.209 4.768 5.455 1.00 0.00 H new ATOM 0 HH2 TRP A 35 0.901 6.900 4.939 1.00 0.00 H new ATOM 583 N GLU A 36 -7.040 4.779 9.166 1.00 0.00 N ATOM 584 CA GLU A 36 -7.900 3.677 9.566 1.00 0.00 C ATOM 585 C GLU A 36 -8.505 3.022 8.336 1.00 0.00 C ATOM 586 O GLU A 36 -9.352 3.605 7.661 1.00 0.00 O ATOM 587 CB GLU A 36 -9.000 4.171 10.504 1.00 0.00 C ATOM 588 CG GLU A 36 -8.480 4.677 11.835 1.00 0.00 C ATOM 589 CD GLU A 36 -9.569 5.264 12.707 1.00 0.00 C ATOM 590 OE1 GLU A 36 -10.374 4.488 13.264 1.00 0.00 O ATOM 591 OE2 GLU A 36 -9.614 6.504 12.857 1.00 0.00 O ATOM 0 H GLU A 36 -7.518 5.515 8.647 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.302 2.939 10.100 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.554 4.971 10.012 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.705 3.359 10.684 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.998 3.857 12.367 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.716 5.434 11.657 1.00 0.00 H new ATOM 598 N PHE A 37 -8.054 1.816 8.041 1.00 0.00 N ATOM 599 CA PHE A 37 -8.502 1.104 6.854 1.00 0.00 C ATOM 600 C PHE A 37 -9.295 -0.132 7.254 1.00 0.00 C ATOM 601 O PHE A 37 -8.723 -1.122 7.719 1.00 0.00 O ATOM 602 CB PHE A 37 -7.298 0.702 5.989 1.00 0.00 C ATOM 603 CG PHE A 37 -6.374 1.849 5.679 1.00 0.00 C ATOM 604 CD1 PHE A 37 -5.412 2.244 6.598 1.00 0.00 C ATOM 605 CD2 PHE A 37 -6.468 2.535 4.478 1.00 0.00 C ATOM 606 CE1 PHE A 37 -4.566 3.299 6.327 1.00 0.00 C ATOM 607 CE2 PHE A 37 -5.620 3.592 4.202 1.00 0.00 C ATOM 608 CZ PHE A 37 -4.670 3.974 5.129 1.00 0.00 C ATOM 0 H PHE A 37 -7.376 1.307 8.608 1.00 0.00 H new ATOM 0 HA PHE A 37 -9.146 1.763 6.272 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -6.736 -0.079 6.502 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -7.659 0.273 5.054 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -5.325 1.718 7.537 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -7.211 2.241 3.751 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.823 3.596 7.052 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -5.701 4.118 3.262 1.00 0.00 H new ATOM 0 HZ PHE A 37 -4.009 4.801 4.916 1.00 0.00 H new ATOM 618 N PRO A 38 -10.624 -0.084 7.109 1.00 0.00 N ATOM 619 CA PRO A 38 -11.491 -1.213 7.438 1.00 0.00 C ATOM 620 C PRO A 38 -11.318 -2.367 6.464 1.00 0.00 C ATOM 621 O PRO A 38 -10.992 -2.172 5.290 1.00 0.00 O ATOM 622 CB PRO A 38 -12.901 -0.628 7.339 1.00 0.00 C ATOM 623 CG PRO A 38 -12.772 0.508 6.389 1.00 0.00 C ATOM 624 CD PRO A 38 -11.390 1.077 6.618 1.00 0.00 C ATOM 0 HA PRO A 38 -11.265 -1.630 8.419 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -13.613 -1.369 6.976 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -13.260 -0.292 8.312 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -12.892 0.173 5.359 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -13.540 1.260 6.571 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -10.964 1.481 5.700 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -11.404 1.887 7.347 1.00 0.00 H new ATOM 632 N GLU A 39 -11.526 -3.569 6.963 1.00 0.00 N ATOM 633 CA GLU A 39 -11.404 -4.761 6.150 1.00 0.00 C ATOM 634 C GLU A 39 -12.667 -4.934 5.314 1.00 0.00 C ATOM 635 O GLU A 39 -13.593 -5.656 5.689 1.00 0.00 O ATOM 636 CB GLU A 39 -11.145 -5.971 7.047 1.00 0.00 C ATOM 637 CG GLU A 39 -10.767 -7.236 6.298 1.00 0.00 C ATOM 638 CD GLU A 39 -10.298 -8.330 7.230 1.00 0.00 C ATOM 639 OE1 GLU A 39 -11.144 -8.946 7.907 1.00 0.00 O ATOM 640 OE2 GLU A 39 -9.075 -8.581 7.293 1.00 0.00 O ATOM 0 H GLU A 39 -11.782 -3.746 7.934 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.559 -4.668 5.468 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.346 -5.725 7.747 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.039 -6.167 7.639 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.626 -7.590 5.728 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.979 -7.010 5.580 1.00 0.00 H new ATOM 647 N ASP A 40 -12.700 -4.233 4.191 1.00 0.00 N ATOM 648 CA ASP A 40 -13.870 -4.202 3.319 1.00 0.00 C ATOM 649 C ASP A 40 -13.428 -4.010 1.875 1.00 0.00 C ATOM 650 O ASP A 40 -12.406 -3.379 1.609 1.00 0.00 O ATOM 651 CB ASP A 40 -14.825 -3.073 3.748 1.00 0.00 C ATOM 652 CG ASP A 40 -15.038 -2.024 2.669 1.00 0.00 C ATOM 653 OD1 ASP A 40 -15.998 -2.169 1.880 1.00 0.00 O ATOM 654 OD2 ASP A 40 -14.250 -1.059 2.602 1.00 0.00 O ATOM 0 H ASP A 40 -11.919 -3.669 3.856 1.00 0.00 H new ATOM 0 HA ASP A 40 -14.403 -5.149 3.401 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.788 -3.505 4.020 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.428 -2.590 4.641 1.00 0.00 H new ATOM 659 N ASP A 41 -14.219 -4.553 0.953 1.00 0.00 N ATOM 660 CA ASP A 41 -13.850 -4.602 -0.465 1.00 0.00 C ATOM 661 C ASP A 41 -13.782 -3.209 -1.084 1.00 0.00 C ATOM 662 O ASP A 41 -13.089 -3.005 -2.084 1.00 0.00 O ATOM 663 CB ASP A 41 -14.827 -5.473 -1.265 1.00 0.00 C ATOM 664 CG ASP A 41 -16.234 -4.910 -1.301 1.00 0.00 C ATOM 665 OD1 ASP A 41 -17.033 -5.230 -0.397 1.00 0.00 O ATOM 666 OD2 ASP A 41 -16.551 -4.152 -2.240 1.00 0.00 O ATOM 0 H ASP A 41 -15.127 -4.969 1.162 1.00 0.00 H new ATOM 0 HA ASP A 41 -12.856 -5.048 -0.512 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -14.458 -5.579 -2.285 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -14.853 -6.472 -0.830 1.00 0.00 H new ATOM 671 N THR A 42 -14.508 -2.261 -0.505 1.00 0.00 N ATOM 672 CA THR A 42 -14.464 -0.879 -0.952 1.00 0.00 C ATOM 673 C THR A 42 -13.070 -0.296 -0.724 1.00 0.00 C ATOM 674 O THR A 42 -12.410 0.163 -1.663 1.00 0.00 O ATOM 675 CB THR A 42 -15.498 -0.033 -0.194 1.00 0.00 C ATOM 676 OG1 THR A 42 -16.770 -0.694 -0.201 1.00 0.00 O ATOM 677 CG2 THR A 42 -15.630 1.341 -0.816 1.00 0.00 C ATOM 0 H THR A 42 -15.137 -2.428 0.280 1.00 0.00 H new ATOM 0 HA THR A 42 -14.698 -0.858 -2.016 1.00 0.00 H new ATOM 0 HB THR A 42 -15.157 0.085 0.835 1.00 0.00 H new ATOM 0 HG1 THR A 42 -16.780 -1.392 0.486 1.00 0.00 H new ATOM 0 HG21 THR A 42 -16.368 1.922 -0.262 1.00 0.00 H new ATOM 0 HG22 THR A 42 -14.667 1.850 -0.781 1.00 0.00 H new ATOM 0 HG23 THR A 42 -15.951 1.242 -1.853 1.00 0.00 H new ATOM 685 N THR A 43 -12.632 -0.341 0.529 1.00 0.00 N ATOM 686 CA THR A 43 -11.305 0.119 0.915 1.00 0.00 C ATOM 687 C THR A 43 -10.214 -0.604 0.122 1.00 0.00 C ATOM 688 O THR A 43 -9.181 -0.022 -0.210 1.00 0.00 O ATOM 689 CB THR A 43 -11.075 -0.116 2.419 1.00 0.00 C ATOM 690 OG1 THR A 43 -12.130 0.503 3.176 1.00 0.00 O ATOM 691 CG2 THR A 43 -9.729 0.446 2.859 1.00 0.00 C ATOM 0 H THR A 43 -13.188 -0.698 1.306 1.00 0.00 H new ATOM 0 HA THR A 43 -11.250 1.185 0.695 1.00 0.00 H new ATOM 0 HB THR A 43 -11.076 -1.191 2.602 1.00 0.00 H new ATOM 0 HG1 THR A 43 -12.941 -0.044 3.116 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.591 0.267 3.925 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.930 -0.044 2.302 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.701 1.518 2.664 1.00 0.00 H new ATOM 699 N MET A 44 -10.460 -1.869 -0.196 1.00 0.00 N ATOM 700 CA MET A 44 -9.469 -2.696 -0.872 1.00 0.00 C ATOM 701 C MET A 44 -9.189 -2.193 -2.285 1.00 0.00 C ATOM 702 O MET A 44 -8.033 -2.013 -2.668 1.00 0.00 O ATOM 703 CB MET A 44 -9.923 -4.154 -0.912 1.00 0.00 C ATOM 704 CG MET A 44 -10.117 -4.754 0.469 1.00 0.00 C ATOM 705 SD MET A 44 -10.681 -6.464 0.431 1.00 0.00 S ATOM 706 CE MET A 44 -10.842 -6.774 2.188 1.00 0.00 C ATOM 0 H MET A 44 -11.340 -2.345 0.004 1.00 0.00 H new ATOM 0 HA MET A 44 -8.542 -2.629 -0.302 1.00 0.00 H new ATOM 0 HB2 MET A 44 -10.859 -4.222 -1.466 1.00 0.00 H new ATOM 0 HB3 MET A 44 -9.186 -4.743 -1.458 1.00 0.00 H new ATOM 0 HG2 MET A 44 -9.175 -4.701 1.016 1.00 0.00 H new ATOM 0 HG3 MET A 44 -10.840 -4.153 1.020 1.00 0.00 H new ATOM 0 HE1 MET A 44 -11.607 -7.533 2.355 1.00 0.00 H new ATOM 0 HE2 MET A 44 -9.889 -7.126 2.584 1.00 0.00 H new ATOM 0 HE3 MET A 44 -11.128 -5.853 2.695 1.00 0.00 H new ATOM 716 N CYS A 45 -10.243 -1.958 -3.063 1.00 0.00 N ATOM 717 CA CYS A 45 -10.070 -1.452 -4.423 1.00 0.00 C ATOM 718 C CYS A 45 -9.500 -0.041 -4.396 1.00 0.00 C ATOM 719 O CYS A 45 -8.772 0.360 -5.305 1.00 0.00 O ATOM 720 CB CYS A 45 -11.386 -1.488 -5.211 1.00 0.00 C ATOM 721 SG CYS A 45 -11.981 -3.174 -5.577 1.00 0.00 S ATOM 0 H CYS A 45 -11.212 -2.107 -2.781 1.00 0.00 H new ATOM 0 HA CYS A 45 -9.364 -2.106 -4.934 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -12.152 -0.958 -4.645 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -11.252 -0.949 -6.149 1.00 0.00 H new ATOM 726 N TYR A 46 -9.819 0.699 -3.338 1.00 0.00 N ATOM 727 CA TYR A 46 -9.266 2.026 -3.132 1.00 0.00 C ATOM 728 C TYR A 46 -7.747 1.957 -3.040 1.00 0.00 C ATOM 729 O TYR A 46 -7.041 2.684 -3.736 1.00 0.00 O ATOM 730 CB TYR A 46 -9.864 2.636 -1.861 1.00 0.00 C ATOM 731 CG TYR A 46 -9.072 3.795 -1.292 1.00 0.00 C ATOM 732 CD1 TYR A 46 -8.974 5.005 -1.971 1.00 0.00 C ATOM 733 CD2 TYR A 46 -8.433 3.677 -0.064 1.00 0.00 C ATOM 734 CE1 TYR A 46 -8.260 6.061 -1.438 1.00 0.00 C ATOM 735 CE2 TYR A 46 -7.716 4.727 0.471 1.00 0.00 C ATOM 736 CZ TYR A 46 -7.633 5.916 -0.218 1.00 0.00 C ATOM 737 OH TYR A 46 -6.935 6.968 0.320 1.00 0.00 O ATOM 0 H TYR A 46 -10.463 0.396 -2.607 1.00 0.00 H new ATOM 0 HA TYR A 46 -9.522 2.661 -3.980 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.877 2.975 -2.077 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.943 1.858 -1.102 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.462 5.121 -2.927 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -8.499 2.747 0.481 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -8.193 6.996 -1.974 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.222 4.617 1.425 1.00 0.00 H new ATOM 0 HH TYR A 46 -6.555 6.701 1.183 1.00 0.00 H new ATOM 747 N ILE A 47 -7.259 1.054 -2.197 1.00 0.00 N ATOM 748 CA ILE A 47 -5.828 0.864 -2.016 1.00 0.00 C ATOM 749 C ILE A 47 -5.164 0.447 -3.325 1.00 0.00 C ATOM 750 O ILE A 47 -4.071 0.907 -3.642 1.00 0.00 O ATOM 751 CB ILE A 47 -5.534 -0.188 -0.922 1.00 0.00 C ATOM 752 CG1 ILE A 47 -6.000 0.322 0.454 1.00 0.00 C ATOM 753 CG2 ILE A 47 -4.052 -0.548 -0.894 1.00 0.00 C ATOM 754 CD1 ILE A 47 -5.352 1.624 0.884 1.00 0.00 C ATOM 0 H ILE A 47 -7.839 0.439 -1.626 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.412 1.820 -1.697 1.00 0.00 H new ATOM 0 HB ILE A 47 -6.093 -1.093 -1.160 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.081 0.457 0.432 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -5.789 -0.441 1.203 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.872 -1.290 -0.116 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.759 -0.958 -1.861 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -3.464 0.346 -0.686 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -5.734 1.915 1.863 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -4.272 1.491 0.941 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -5.584 2.403 0.158 1.00 0.00 H new ATOM 766 N LYS A 48 -5.841 -0.401 -4.093 1.00 0.00 N ATOM 767 CA LYS A 48 -5.292 -0.884 -5.351 1.00 0.00 C ATOM 768 C LYS A 48 -5.084 0.274 -6.318 1.00 0.00 C ATOM 769 O LYS A 48 -4.010 0.424 -6.896 1.00 0.00 O ATOM 770 CB LYS A 48 -6.208 -1.932 -5.984 1.00 0.00 C ATOM 771 CG LYS A 48 -5.550 -2.679 -7.135 1.00 0.00 C ATOM 772 CD LYS A 48 -6.488 -3.698 -7.763 1.00 0.00 C ATOM 773 CE LYS A 48 -7.514 -3.047 -8.675 1.00 0.00 C ATOM 774 NZ LYS A 48 -6.889 -2.501 -9.907 1.00 0.00 N ATOM 0 H LYS A 48 -6.766 -0.765 -3.866 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.330 -1.350 -5.140 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.514 -2.648 -5.221 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.114 -1.445 -6.345 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.229 -1.965 -7.894 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.654 -3.185 -6.774 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.906 -4.423 -8.332 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.002 -4.250 -6.976 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.275 -3.779 -8.947 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.021 -2.245 -8.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.585 -2.504 -10.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.570 -1.527 -9.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.074 -3.090 -10.173 1.00 0.00 H new ATOM 788 N CYS A 49 -6.122 1.093 -6.481 1.00 0.00 N ATOM 789 CA CYS A 49 -6.053 2.251 -7.365 1.00 0.00 C ATOM 790 C CYS A 49 -4.921 3.190 -6.957 1.00 0.00 C ATOM 791 O CYS A 49 -4.106 3.586 -7.787 1.00 0.00 O ATOM 792 CB CYS A 49 -7.387 3.002 -7.373 1.00 0.00 C ATOM 793 SG CYS A 49 -7.342 4.597 -8.263 1.00 0.00 S ATOM 0 H CYS A 49 -7.020 0.974 -6.012 1.00 0.00 H new ATOM 0 HA CYS A 49 -5.848 1.889 -8.372 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.147 2.366 -7.828 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.696 3.182 -6.343 1.00 0.00 H new ATOM 798 N VAL A 50 -4.861 3.525 -5.671 1.00 0.00 N ATOM 799 CA VAL A 50 -3.862 4.449 -5.161 1.00 0.00 C ATOM 800 C VAL A 50 -2.455 3.914 -5.394 1.00 0.00 C ATOM 801 O VAL A 50 -1.589 4.612 -5.925 1.00 0.00 O ATOM 802 CB VAL A 50 -4.078 4.714 -3.659 1.00 0.00 C ATOM 803 CG1 VAL A 50 -2.957 5.559 -3.087 1.00 0.00 C ATOM 804 CG2 VAL A 50 -5.413 5.393 -3.439 1.00 0.00 C ATOM 0 H VAL A 50 -5.499 3.165 -4.961 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.973 5.388 -5.704 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.076 3.756 -3.139 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.136 5.730 -2.025 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.008 5.039 -3.216 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.921 6.516 -3.608 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.557 5.576 -2.374 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.432 6.341 -3.976 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.213 4.751 -3.808 1.00 0.00 H new ATOM 814 N PHE A 51 -2.257 2.654 -5.036 1.00 0.00 N ATOM 815 CA PHE A 51 -0.965 2.002 -5.171 1.00 0.00 C ATOM 816 C PHE A 51 -0.563 1.885 -6.637 1.00 0.00 C ATOM 817 O PHE A 51 0.615 1.782 -6.968 1.00 0.00 O ATOM 818 CB PHE A 51 -1.017 0.619 -4.519 1.00 0.00 C ATOM 819 CG PHE A 51 -0.683 0.619 -3.053 1.00 0.00 C ATOM 820 CD1 PHE A 51 -0.067 -0.478 -2.475 1.00 0.00 C ATOM 821 CD2 PHE A 51 -0.986 1.711 -2.254 1.00 0.00 C ATOM 822 CE1 PHE A 51 0.239 -0.488 -1.127 1.00 0.00 C ATOM 823 CE2 PHE A 51 -0.682 1.707 -0.907 1.00 0.00 C ATOM 824 CZ PHE A 51 -0.069 0.606 -0.343 1.00 0.00 C ATOM 0 H PHE A 51 -2.986 2.057 -4.645 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.213 2.609 -4.666 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -2.016 0.203 -4.653 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -0.324 -0.042 -5.039 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.177 -1.336 -3.084 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.465 2.575 -2.690 1.00 0.00 H new ATOM 0 HE1 PHE A 51 0.718 -1.350 -0.688 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.923 2.564 -0.296 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.169 0.600 0.710 1.00 0.00 H new ATOM 834 N ASN A 52 -1.554 1.906 -7.512 1.00 0.00 N ATOM 835 CA ASN A 52 -1.317 1.806 -8.945 1.00 0.00 C ATOM 836 C ASN A 52 -0.897 3.149 -9.530 1.00 0.00 C ATOM 837 O ASN A 52 0.017 3.219 -10.347 1.00 0.00 O ATOM 838 CB ASN A 52 -2.568 1.293 -9.655 1.00 0.00 C ATOM 839 CG ASN A 52 -2.393 1.241 -11.156 1.00 0.00 C ATOM 840 OD1 ASN A 52 -2.784 2.163 -11.873 1.00 0.00 O ATOM 841 ND2 ASN A 52 -1.770 0.181 -11.638 1.00 0.00 N ATOM 0 H ASN A 52 -2.537 1.992 -7.254 1.00 0.00 H new ATOM 0 HA ASN A 52 -0.503 1.098 -9.101 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -2.811 0.297 -9.285 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -3.412 1.938 -9.412 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -1.596 0.104 -12.640 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -1.463 -0.560 -11.008 1.00 0.00 H new ATOM 848 N LYS A 53 -1.553 4.216 -9.095 1.00 0.00 N ATOM 849 CA LYS A 53 -1.245 5.555 -9.590 1.00 0.00 C ATOM 850 C LYS A 53 0.074 6.051 -9.012 1.00 0.00 C ATOM 851 O LYS A 53 0.680 6.987 -9.529 1.00 0.00 O ATOM 852 CB LYS A 53 -2.376 6.530 -9.252 1.00 0.00 C ATOM 853 CG LYS A 53 -3.528 6.532 -10.255 1.00 0.00 C ATOM 854 CD LYS A 53 -4.193 5.172 -10.347 1.00 0.00 C ATOM 855 CE LYS A 53 -5.281 5.145 -11.407 1.00 0.00 C ATOM 856 NZ LYS A 53 -6.360 6.127 -11.124 1.00 0.00 N ATOM 0 H LYS A 53 -2.301 4.183 -8.402 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.148 5.502 -10.674 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.769 6.283 -8.266 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.964 7.537 -9.188 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -4.266 7.279 -9.961 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -3.155 6.822 -11.237 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.443 4.416 -10.577 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.622 4.911 -9.379 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -4.843 5.359 -12.382 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.708 4.144 -11.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.137 5.994 -11.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.716 5.983 -10.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.983 7.092 -11.213 1.00 0.00 H new ATOM 870 N MET A 54 0.507 5.417 -7.935 1.00 0.00 N ATOM 871 CA MET A 54 1.800 5.713 -7.336 1.00 0.00 C ATOM 872 C MET A 54 2.888 4.843 -7.956 1.00 0.00 C ATOM 873 O MET A 54 4.061 4.951 -7.607 1.00 0.00 O ATOM 874 CB MET A 54 1.739 5.492 -5.826 1.00 0.00 C ATOM 875 CG MET A 54 0.885 6.517 -5.109 1.00 0.00 C ATOM 876 SD MET A 54 0.453 6.027 -3.431 1.00 0.00 S ATOM 877 CE MET A 54 1.993 6.315 -2.571 1.00 0.00 C ATOM 0 H MET A 54 -0.021 4.689 -7.454 1.00 0.00 H new ATOM 0 HA MET A 54 2.044 6.757 -7.530 1.00 0.00 H new ATOM 0 HB2 MET A 54 1.344 4.496 -5.626 1.00 0.00 H new ATOM 0 HB3 MET A 54 2.750 5.522 -5.419 1.00 0.00 H new ATOM 0 HG2 MET A 54 1.418 7.467 -5.078 1.00 0.00 H new ATOM 0 HG3 MET A 54 -0.029 6.683 -5.679 1.00 0.00 H new ATOM 0 HE1 MET A 54 1.954 5.846 -1.588 1.00 0.00 H new ATOM 0 HE2 MET A 54 2.815 5.887 -3.144 1.00 0.00 H new ATOM 0 HE3 MET A 54 2.150 7.387 -2.456 1.00 0.00 H new ATOM 887 N GLN A 55 2.464 3.989 -8.896 1.00 0.00 N ATOM 888 CA GLN A 55 3.340 3.035 -9.570 1.00 0.00 C ATOM 889 C GLN A 55 4.059 2.139 -8.572 1.00 0.00 C ATOM 890 O GLN A 55 5.270 1.945 -8.642 1.00 0.00 O ATOM 891 CB GLN A 55 4.330 3.761 -10.474 1.00 0.00 C ATOM 892 CG GLN A 55 3.764 4.061 -11.848 1.00 0.00 C ATOM 893 CD GLN A 55 4.715 4.858 -12.716 1.00 0.00 C ATOM 894 OE1 GLN A 55 5.935 4.751 -12.586 1.00 0.00 O ATOM 895 NE2 GLN A 55 4.162 5.660 -13.610 1.00 0.00 N ATOM 0 H GLN A 55 1.494 3.944 -9.209 1.00 0.00 H new ATOM 0 HA GLN A 55 2.719 2.392 -10.194 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.631 4.695 -9.999 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.229 3.154 -10.582 1.00 0.00 H new ATOM 0 HG2 GLN A 55 3.523 3.123 -12.349 1.00 0.00 H new ATOM 0 HG3 GLN A 55 2.831 4.613 -11.738 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.146 5.718 -13.684 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.751 6.221 -14.226 1.00 0.00 H new ATOM 904 N LEU A 56 3.292 1.582 -7.652 1.00 0.00 N ATOM 905 CA LEU A 56 3.843 0.780 -6.576 1.00 0.00 C ATOM 906 C LEU A 56 3.255 -0.631 -6.584 1.00 0.00 C ATOM 907 O LEU A 56 3.796 -1.549 -5.965 1.00 0.00 O ATOM 908 CB LEU A 56 3.578 1.482 -5.236 1.00 0.00 C ATOM 909 CG LEU A 56 4.744 2.325 -4.711 1.00 0.00 C ATOM 910 CD1 LEU A 56 4.341 3.070 -3.449 1.00 0.00 C ATOM 911 CD2 LEU A 56 5.956 1.457 -4.435 1.00 0.00 C ATOM 0 H LEU A 56 2.276 1.672 -7.630 1.00 0.00 H new ATOM 0 HA LEU A 56 4.919 0.680 -6.720 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.704 2.124 -5.345 1.00 0.00 H new ATOM 0 HB3 LEU A 56 3.328 0.728 -4.490 1.00 0.00 H new ATOM 0 HG LEU A 56 5.005 3.052 -5.480 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.183 3.663 -3.092 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.500 3.729 -3.668 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.050 2.354 -2.681 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.771 2.078 -4.063 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.702 0.705 -3.688 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.267 0.963 -5.356 1.00 0.00 H new ATOM 923 N PHE A 57 2.148 -0.800 -7.301 1.00 0.00 N ATOM 924 CA PHE A 57 1.483 -2.093 -7.394 1.00 0.00 C ATOM 925 C PHE A 57 0.974 -2.315 -8.813 1.00 0.00 C ATOM 926 O PHE A 57 0.521 -1.378 -9.478 1.00 0.00 O ATOM 927 CB PHE A 57 0.322 -2.179 -6.383 1.00 0.00 C ATOM 928 CG PHE A 57 -0.488 -3.447 -6.471 1.00 0.00 C ATOM 929 CD1 PHE A 57 -1.663 -3.485 -7.210 1.00 0.00 C ATOM 930 CD2 PHE A 57 -0.079 -4.597 -5.813 1.00 0.00 C ATOM 931 CE1 PHE A 57 -2.409 -4.643 -7.291 1.00 0.00 C ATOM 932 CE2 PHE A 57 -0.824 -5.759 -5.892 1.00 0.00 C ATOM 933 CZ PHE A 57 -1.989 -5.780 -6.632 1.00 0.00 C ATOM 0 H PHE A 57 1.692 -0.054 -7.827 1.00 0.00 H new ATOM 0 HA PHE A 57 2.202 -2.876 -7.152 1.00 0.00 H new ATOM 0 HB2 PHE A 57 0.727 -2.090 -5.375 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -0.341 -1.327 -6.536 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -1.997 -2.598 -7.727 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.832 -4.585 -5.232 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -3.321 -4.659 -7.870 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.495 -6.649 -5.376 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.572 -6.687 -6.695 1.00 0.00 H new ATOM 943 N ASP A 58 1.071 -3.550 -9.272 1.00 0.00 N ATOM 944 CA ASP A 58 0.587 -3.932 -10.590 1.00 0.00 C ATOM 945 C ASP A 58 -0.385 -5.101 -10.462 1.00 0.00 C ATOM 946 O ASP A 58 -0.231 -5.948 -9.587 1.00 0.00 O ATOM 947 CB ASP A 58 1.761 -4.312 -11.499 1.00 0.00 C ATOM 948 CG ASP A 58 1.297 -4.863 -12.831 1.00 0.00 C ATOM 949 OD1 ASP A 58 1.545 -6.055 -13.103 1.00 0.00 O ATOM 950 OD2 ASP A 58 0.660 -4.116 -13.602 1.00 0.00 O ATOM 0 H ASP A 58 1.487 -4.317 -8.743 1.00 0.00 H new ATOM 0 HA ASP A 58 0.067 -3.085 -11.037 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.386 -3.435 -11.668 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.382 -5.054 -10.997 1.00 0.00 H new ATOM 955 N ASP A 59 -1.383 -5.141 -11.335 1.00 0.00 N ATOM 956 CA ASP A 59 -2.441 -6.147 -11.254 1.00 0.00 C ATOM 957 C ASP A 59 -1.948 -7.515 -11.718 1.00 0.00 C ATOM 958 O ASP A 59 -2.627 -8.524 -11.528 1.00 0.00 O ATOM 959 CB ASP A 59 -3.651 -5.722 -12.089 1.00 0.00 C ATOM 960 CG ASP A 59 -4.289 -4.432 -11.604 1.00 0.00 C ATOM 961 OD1 ASP A 59 -5.382 -4.487 -10.999 1.00 0.00 O ATOM 962 OD2 ASP A 59 -3.705 -3.351 -11.834 1.00 0.00 O ATOM 0 H ASP A 59 -1.485 -4.487 -12.111 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.737 -6.227 -10.208 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.343 -5.599 -13.127 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.396 -6.518 -12.069 1.00 0.00 H new ATOM 967 N THR A 60 -0.780 -7.541 -12.344 1.00 0.00 N ATOM 968 CA THR A 60 -0.170 -8.789 -12.772 1.00 0.00 C ATOM 969 C THR A 60 0.938 -9.235 -11.809 1.00 0.00 C ATOM 970 O THR A 60 0.827 -10.281 -11.169 1.00 0.00 O ATOM 971 CB THR A 60 0.396 -8.660 -14.201 1.00 0.00 C ATOM 972 OG1 THR A 60 -0.679 -8.579 -15.145 1.00 0.00 O ATOM 973 CG2 THR A 60 1.300 -9.830 -14.551 1.00 0.00 C ATOM 0 H THR A 60 -0.235 -6.708 -12.567 1.00 0.00 H new ATOM 0 HA THR A 60 -0.951 -9.549 -12.767 1.00 0.00 H new ATOM 0 HB THR A 60 0.993 -7.749 -14.244 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.314 -8.495 -16.050 1.00 0.00 H new ATOM 0 HG21 THR A 60 1.680 -9.705 -15.565 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.135 -9.866 -13.852 1.00 0.00 H new ATOM 0 HG23 THR A 60 0.734 -10.759 -14.488 1.00 0.00 H new ATOM 981 N GLU A 61 2.001 -8.440 -11.707 1.00 0.00 N ATOM 982 CA GLU A 61 3.159 -8.800 -10.888 1.00 0.00 C ATOM 983 C GLU A 61 2.895 -8.586 -9.400 1.00 0.00 C ATOM 984 O GLU A 61 3.633 -9.097 -8.554 1.00 0.00 O ATOM 985 CB GLU A 61 4.380 -7.984 -11.300 1.00 0.00 C ATOM 986 CG GLU A 61 4.538 -7.840 -12.798 1.00 0.00 C ATOM 987 CD GLU A 61 5.863 -7.221 -13.183 1.00 0.00 C ATOM 988 OE1 GLU A 61 6.813 -7.980 -13.469 1.00 0.00 O ATOM 989 OE2 GLU A 61 5.962 -5.977 -13.206 1.00 0.00 O ATOM 0 H GLU A 61 2.085 -7.541 -12.181 1.00 0.00 H new ATOM 0 HA GLU A 61 3.348 -9.860 -11.055 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.310 -6.992 -10.854 1.00 0.00 H new ATOM 0 HB3 GLU A 61 5.275 -8.455 -10.893 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.449 -8.821 -13.266 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.726 -7.226 -13.188 1.00 0.00 H new ATOM 996 N GLY A 62 1.850 -7.842 -9.080 1.00 0.00 N ATOM 997 CA GLY A 62 1.572 -7.525 -7.696 1.00 0.00 C ATOM 998 C GLY A 62 2.442 -6.393 -7.191 1.00 0.00 C ATOM 999 O GLY A 62 2.652 -5.414 -7.904 1.00 0.00 O ATOM 0 H GLY A 62 1.190 -7.452 -9.752 1.00 0.00 H new ATOM 0 HA2 GLY A 62 0.522 -7.251 -7.590 1.00 0.00 H new ATOM 0 HA3 GLY A 62 1.734 -8.410 -7.081 1.00 0.00 H new ATOM 1003 N PRO A 63 2.967 -6.496 -5.962 1.00 0.00 N ATOM 1004 CA PRO A 63 3.793 -5.441 -5.372 1.00 0.00 C ATOM 1005 C PRO A 63 5.126 -5.284 -6.097 1.00 0.00 C ATOM 1006 O PRO A 63 5.887 -6.245 -6.245 1.00 0.00 O ATOM 1007 CB PRO A 63 3.999 -5.909 -3.928 1.00 0.00 C ATOM 1008 CG PRO A 63 3.797 -7.380 -3.965 1.00 0.00 C ATOM 1009 CD PRO A 63 2.803 -7.646 -5.056 1.00 0.00 C ATOM 0 HA PRO A 63 3.321 -4.461 -5.440 1.00 0.00 H new ATOM 0 HB2 PRO A 63 4.998 -5.657 -3.571 1.00 0.00 H new ATOM 0 HB3 PRO A 63 3.289 -5.430 -3.253 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.737 -7.896 -4.162 1.00 0.00 H new ATOM 0 HG3 PRO A 63 3.428 -7.745 -3.007 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.008 -8.589 -5.564 1.00 0.00 H new ATOM 0 HD3 PRO A 63 1.787 -7.708 -4.666 1.00 0.00 H new ATOM 1017 N LEU A 64 5.390 -4.069 -6.556 1.00 0.00 N ATOM 1018 CA LEU A 64 6.624 -3.770 -7.268 1.00 0.00 C ATOM 1019 C LEU A 64 7.735 -3.505 -6.271 1.00 0.00 C ATOM 1020 O LEU A 64 7.932 -2.376 -5.826 1.00 0.00 O ATOM 1021 CB LEU A 64 6.445 -2.564 -8.192 1.00 0.00 C ATOM 1022 CG LEU A 64 5.235 -2.650 -9.123 1.00 0.00 C ATOM 1023 CD1 LEU A 64 5.088 -1.370 -9.929 1.00 0.00 C ATOM 1024 CD2 LEU A 64 5.366 -3.849 -10.047 1.00 0.00 C ATOM 0 H LEU A 64 4.763 -3.272 -6.447 1.00 0.00 H new ATOM 0 HA LEU A 64 6.887 -4.630 -7.884 1.00 0.00 H new ATOM 0 HB2 LEU A 64 6.354 -1.665 -7.582 1.00 0.00 H new ATOM 0 HB3 LEU A 64 7.345 -2.449 -8.797 1.00 0.00 H new ATOM 0 HG LEU A 64 4.339 -2.775 -8.515 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.222 -1.451 -10.585 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.953 -0.527 -9.251 1.00 0.00 H new ATOM 0 HD13 LEU A 64 5.984 -1.213 -10.529 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.498 -3.898 -10.704 1.00 0.00 H new ATOM 0 HD22 LEU A 64 6.270 -3.749 -10.647 1.00 0.00 H new ATOM 0 HD23 LEU A 64 5.424 -4.761 -9.453 1.00 0.00 H new ATOM 1036 N VAL A 65 8.442 -4.575 -5.932 1.00 0.00 N ATOM 1037 CA VAL A 65 9.487 -4.560 -4.915 1.00 0.00 C ATOM 1038 C VAL A 65 10.471 -3.410 -5.110 1.00 0.00 C ATOM 1039 O VAL A 65 10.790 -2.703 -4.161 1.00 0.00 O ATOM 1040 CB VAL A 65 10.259 -5.892 -4.907 1.00 0.00 C ATOM 1041 CG1 VAL A 65 11.438 -5.841 -3.946 1.00 0.00 C ATOM 1042 CG2 VAL A 65 9.328 -7.036 -4.551 1.00 0.00 C ATOM 0 H VAL A 65 8.305 -5.490 -6.361 1.00 0.00 H new ATOM 0 HA VAL A 65 8.985 -4.418 -3.958 1.00 0.00 H new ATOM 0 HB VAL A 65 10.655 -6.060 -5.908 1.00 0.00 H new ATOM 0 HG11 VAL A 65 11.963 -6.796 -3.963 1.00 0.00 H new ATOM 0 HG12 VAL A 65 12.120 -5.047 -4.249 1.00 0.00 H new ATOM 0 HG13 VAL A 65 11.077 -5.644 -2.937 1.00 0.00 H new ATOM 0 HG21 VAL A 65 9.886 -7.972 -4.549 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.903 -6.865 -3.562 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.525 -7.094 -5.286 1.00 0.00 H new ATOM 1052 N ASP A 66 10.933 -3.219 -6.339 1.00 0.00 N ATOM 1053 CA ASP A 66 11.941 -2.202 -6.629 1.00 0.00 C ATOM 1054 C ASP A 66 11.477 -0.815 -6.194 1.00 0.00 C ATOM 1055 O ASP A 66 12.140 -0.155 -5.390 1.00 0.00 O ATOM 1056 CB ASP A 66 12.272 -2.202 -8.116 1.00 0.00 C ATOM 1057 CG ASP A 66 13.312 -1.162 -8.483 1.00 0.00 C ATOM 1058 OD1 ASP A 66 14.520 -1.455 -8.372 1.00 0.00 O ATOM 1059 OD2 ASP A 66 12.926 -0.051 -8.902 1.00 0.00 O ATOM 0 H ASP A 66 10.627 -3.754 -7.152 1.00 0.00 H new ATOM 0 HA ASP A 66 12.838 -2.448 -6.060 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.634 -3.189 -8.404 1.00 0.00 H new ATOM 0 HB3 ASP A 66 11.362 -2.017 -8.687 1.00 0.00 H new ATOM 1064 N ASN A 67 10.327 -0.389 -6.703 1.00 0.00 N ATOM 1065 CA ASN A 67 9.771 0.911 -6.346 1.00 0.00 C ATOM 1066 C ASN A 67 9.443 0.959 -4.861 1.00 0.00 C ATOM 1067 O ASN A 67 9.558 2.003 -4.224 1.00 0.00 O ATOM 1068 CB ASN A 67 8.512 1.217 -7.160 1.00 0.00 C ATOM 1069 CG ASN A 67 8.799 1.558 -8.610 1.00 0.00 C ATOM 1070 OD1 ASN A 67 9.746 1.056 -9.213 1.00 0.00 O ATOM 1071 ND2 ASN A 67 7.972 2.416 -9.183 1.00 0.00 N ATOM 0 H ASN A 67 9.762 -0.924 -7.363 1.00 0.00 H new ATOM 0 HA ASN A 67 10.523 1.666 -6.574 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.846 0.355 -7.122 1.00 0.00 H new ATOM 0 HB3 ASN A 67 7.982 2.050 -6.697 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.109 2.682 -10.158 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.197 2.811 -8.650 1.00 0.00 H new ATOM 1078 N LEU A 68 9.055 -0.188 -4.318 1.00 0.00 N ATOM 1079 CA LEU A 68 8.667 -0.289 -2.917 1.00 0.00 C ATOM 1080 C LEU A 68 9.808 0.087 -1.979 1.00 0.00 C ATOM 1081 O LEU A 68 9.624 0.902 -1.080 1.00 0.00 O ATOM 1082 CB LEU A 68 8.151 -1.695 -2.606 1.00 0.00 C ATOM 1083 CG LEU A 68 6.676 -1.914 -2.944 1.00 0.00 C ATOM 1084 CD1 LEU A 68 6.345 -3.394 -2.965 1.00 0.00 C ATOM 1085 CD2 LEU A 68 5.795 -1.197 -1.939 1.00 0.00 C ATOM 0 H LEU A 68 9.001 -1.068 -4.831 1.00 0.00 H new ATOM 0 HA LEU A 68 7.863 0.427 -2.748 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.750 -2.419 -3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.303 -1.899 -1.546 1.00 0.00 H new ATOM 0 HG LEU A 68 6.487 -1.504 -3.936 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.291 -3.528 -3.207 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.956 -3.893 -3.717 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.550 -3.827 -1.986 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.747 -1.361 -2.191 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.993 -1.585 -0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 68 6.011 -0.129 -1.963 1.00 0.00 H new ATOM 1097 N VAL A 69 10.988 -0.479 -2.192 1.00 0.00 N ATOM 1098 CA VAL A 69 12.126 -0.171 -1.327 1.00 0.00 C ATOM 1099 C VAL A 69 12.692 1.206 -1.668 1.00 0.00 C ATOM 1100 O VAL A 69 13.194 1.901 -0.797 1.00 0.00 O ATOM 1101 CB VAL A 69 13.248 -1.253 -1.364 1.00 0.00 C ATOM 1102 CG1 VAL A 69 12.733 -2.560 -1.933 1.00 0.00 C ATOM 1103 CG2 VAL A 69 14.487 -0.793 -2.117 1.00 0.00 C ATOM 0 H VAL A 69 11.184 -1.143 -2.941 1.00 0.00 H new ATOM 0 HA VAL A 69 11.746 -0.167 -0.305 1.00 0.00 H new ATOM 0 HB VAL A 69 13.547 -1.417 -0.329 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.539 -3.294 -1.946 1.00 0.00 H new ATOM 0 HG12 VAL A 69 11.915 -2.929 -1.314 1.00 0.00 H new ATOM 0 HG13 VAL A 69 12.374 -2.398 -2.949 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.233 -1.587 -2.109 1.00 0.00 H new ATOM 0 HG22 VAL A 69 14.220 -0.556 -3.147 1.00 0.00 H new ATOM 0 HG23 VAL A 69 14.897 0.095 -1.635 1.00 0.00 H new ATOM 1113 N HIS A 70 12.572 1.617 -2.926 1.00 0.00 N ATOM 1114 CA HIS A 70 13.027 2.946 -3.333 1.00 0.00 C ATOM 1115 C HIS A 70 12.176 4.033 -2.680 1.00 0.00 C ATOM 1116 O HIS A 70 12.642 5.145 -2.436 1.00 0.00 O ATOM 1117 CB HIS A 70 12.980 3.099 -4.855 1.00 0.00 C ATOM 1118 CG HIS A 70 14.039 2.326 -5.582 1.00 0.00 C ATOM 1119 ND1 HIS A 70 14.265 2.455 -6.933 1.00 0.00 N ATOM 1120 CD2 HIS A 70 14.932 1.406 -5.143 1.00 0.00 C ATOM 1121 CE1 HIS A 70 15.247 1.654 -7.293 1.00 0.00 C ATOM 1122 NE2 HIS A 70 15.671 1.006 -6.227 1.00 0.00 N ATOM 0 H HIS A 70 12.168 1.057 -3.677 1.00 0.00 H new ATOM 0 HA HIS A 70 14.059 3.057 -3.002 1.00 0.00 H new ATOM 0 HB2 HIS A 70 12.001 2.777 -5.211 1.00 0.00 H new ATOM 0 HB3 HIS A 70 13.079 4.155 -5.106 1.00 0.00 H new ATOM 0 HD2 HIS A 70 15.041 1.053 -4.128 1.00 0.00 H new ATOM 0 HE1 HIS A 70 15.639 1.547 -8.294 1.00 0.00 H new ATOM 0 HE2 HIS A 70 16.425 0.319 -6.211 1.00 0.00 H new ATOM 1131 N GLN A 71 10.928 3.700 -2.399 1.00 0.00 N ATOM 1132 CA GLN A 71 9.998 4.637 -1.786 1.00 0.00 C ATOM 1133 C GLN A 71 10.069 4.556 -0.266 1.00 0.00 C ATOM 1134 O GLN A 71 10.369 5.545 0.405 1.00 0.00 O ATOM 1135 CB GLN A 71 8.572 4.334 -2.248 1.00 0.00 C ATOM 1136 CG GLN A 71 7.553 5.394 -1.847 1.00 0.00 C ATOM 1137 CD GLN A 71 7.910 6.783 -2.343 1.00 0.00 C ATOM 1138 OE1 GLN A 71 7.554 7.175 -3.454 1.00 0.00 O ATOM 1139 NE2 GLN A 71 8.602 7.545 -1.512 1.00 0.00 N ATOM 0 H GLN A 71 10.531 2.779 -2.587 1.00 0.00 H new ATOM 0 HA GLN A 71 10.276 5.645 -2.095 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.567 4.231 -3.333 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.264 3.373 -1.835 1.00 0.00 H new ATOM 0 HG2 GLN A 71 6.575 5.115 -2.239 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.467 5.414 -0.761 1.00 0.00 H new ATOM 0 HE21 GLN A 71 8.879 7.184 -0.599 1.00 0.00 H new ATOM 0 HE22 GLN A 71 8.859 8.494 -1.784 1.00 0.00 H new ATOM 1148 N LEU A 72 9.787 3.371 0.260 1.00 0.00 N ATOM 1149 CA LEU A 72 9.706 3.151 1.701 1.00 0.00 C ATOM 1150 C LEU A 72 11.018 3.440 2.420 1.00 0.00 C ATOM 1151 O LEU A 72 11.012 4.063 3.479 1.00 0.00 O ATOM 1152 CB LEU A 72 9.254 1.723 2.007 1.00 0.00 C ATOM 1153 CG LEU A 72 7.803 1.410 1.648 1.00 0.00 C ATOM 1154 CD1 LEU A 72 7.520 -0.071 1.832 1.00 0.00 C ATOM 1155 CD2 LEU A 72 6.846 2.236 2.496 1.00 0.00 C ATOM 0 H LEU A 72 9.608 2.536 -0.298 1.00 0.00 H new ATOM 0 HA LEU A 72 8.966 3.858 2.076 1.00 0.00 H new ATOM 0 HB2 LEU A 72 9.902 1.031 1.470 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.397 1.533 3.071 1.00 0.00 H new ATOM 0 HG LEU A 72 7.648 1.671 0.601 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.482 -0.278 1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 72 8.179 -0.650 1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 72 7.696 -0.349 2.871 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.818 1.996 2.223 1.00 0.00 H new ATOM 0 HD22 LEU A 72 7.004 2.008 3.550 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.029 3.296 2.323 1.00 0.00 H new ATOM 1167 N ALA A 73 12.138 3.003 1.847 1.00 0.00 N ATOM 1168 CA ALA A 73 13.450 3.159 2.482 1.00 0.00 C ATOM 1169 C ALA A 73 13.943 4.611 2.493 1.00 0.00 C ATOM 1170 O ALA A 73 15.144 4.871 2.407 1.00 0.00 O ATOM 1171 CB ALA A 73 14.462 2.261 1.803 1.00 0.00 C ATOM 0 H ALA A 73 12.165 2.536 0.941 1.00 0.00 H new ATOM 0 HA ALA A 73 13.337 2.864 3.525 1.00 0.00 H new ATOM 0 HB1 ALA A 73 15.434 2.383 2.280 1.00 0.00 H new ATOM 0 HB2 ALA A 73 14.143 1.222 1.889 1.00 0.00 H new ATOM 0 HB3 ALA A 73 14.539 2.531 0.750 1.00 0.00 H new ATOM 1177 N HIS A 74 13.012 5.545 2.607 1.00 0.00 N ATOM 1178 CA HIS A 74 13.335 6.962 2.680 1.00 0.00 C ATOM 1179 C HIS A 74 13.968 7.276 4.033 1.00 0.00 C ATOM 1180 O HIS A 74 13.271 7.629 4.986 1.00 0.00 O ATOM 1181 CB HIS A 74 12.064 7.806 2.480 1.00 0.00 C ATOM 1182 CG HIS A 74 12.311 9.282 2.380 1.00 0.00 C ATOM 1183 ND1 HIS A 74 11.953 10.175 3.369 1.00 0.00 N ATOM 1184 CD2 HIS A 74 12.867 10.026 1.392 1.00 0.00 C ATOM 1185 CE1 HIS A 74 12.278 11.397 2.994 1.00 0.00 C ATOM 1186 NE2 HIS A 74 12.834 11.333 1.802 1.00 0.00 N ATOM 0 H HIS A 74 12.013 5.343 2.651 1.00 0.00 H new ATOM 0 HA HIS A 74 14.044 7.208 1.889 1.00 0.00 H new ATOM 0 HB2 HIS A 74 11.559 7.472 1.573 1.00 0.00 H new ATOM 0 HB3 HIS A 74 11.384 7.619 3.311 1.00 0.00 H new ATOM 0 HD2 HIS A 74 13.262 9.657 0.457 1.00 0.00 H new ATOM 0 HE1 HIS A 74 12.116 12.298 3.567 1.00 0.00 H new ATOM 0 HE2 HIS A 74 13.184 12.129 1.269 1.00 0.00 H new ATOM 1195 N GLY A 75 15.282 7.127 4.114 1.00 0.00 N ATOM 1196 CA GLY A 75 15.985 7.381 5.356 1.00 0.00 C ATOM 1197 C GLY A 75 16.319 6.106 6.106 1.00 0.00 C ATOM 1198 O GLY A 75 16.636 6.145 7.295 1.00 0.00 O ATOM 0 H GLY A 75 15.877 6.834 3.339 1.00 0.00 H new ATOM 0 HA2 GLY A 75 16.905 7.926 5.144 1.00 0.00 H new ATOM 0 HA3 GLY A 75 15.374 8.023 5.991 1.00 0.00 H new ATOM 1202 N ARG A 76 16.255 4.976 5.410 1.00 0.00 N ATOM 1203 CA ARG A 76 16.565 3.683 6.013 1.00 0.00 C ATOM 1204 C ARG A 76 17.264 2.781 5.003 1.00 0.00 C ATOM 1205 O ARG A 76 17.214 3.036 3.797 1.00 0.00 O ATOM 1206 CB ARG A 76 15.294 3.006 6.535 1.00 0.00 C ATOM 1207 CG ARG A 76 14.888 3.457 7.928 1.00 0.00 C ATOM 1208 CD ARG A 76 13.889 2.501 8.555 1.00 0.00 C ATOM 1209 NE ARG A 76 13.259 3.066 9.750 1.00 0.00 N ATOM 1210 CZ ARG A 76 12.457 2.381 10.565 1.00 0.00 C ATOM 1211 NH1 ARG A 76 12.187 1.103 10.317 1.00 0.00 N ATOM 1212 NH2 ARG A 76 11.926 2.977 11.626 1.00 0.00 N ATOM 0 H ARG A 76 15.991 4.929 4.426 1.00 0.00 H new ATOM 0 HA ARG A 76 17.234 3.853 6.856 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.475 3.209 5.844 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.445 1.927 6.542 1.00 0.00 H new ATOM 0 HG2 ARG A 76 15.773 3.527 8.561 1.00 0.00 H new ATOM 0 HG3 ARG A 76 14.454 4.455 7.876 1.00 0.00 H new ATOM 0 HD2 ARG A 76 13.120 2.251 7.824 1.00 0.00 H new ATOM 0 HD3 ARG A 76 14.394 1.571 8.817 1.00 0.00 H new ATOM 0 HE ARG A 76 13.445 4.044 9.972 1.00 0.00 H new ATOM 0 HH11 ARG A 76 12.594 0.645 9.502 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.573 0.581 10.942 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.132 3.958 11.816 1.00 0.00 H new ATOM 0 HH22 ARG A 76 11.312 2.454 12.251 1.00 0.00 H new ATOM 1226 N ASP A 77 17.913 1.733 5.497 1.00 0.00 N ATOM 1227 CA ASP A 77 18.638 0.802 4.641 1.00 0.00 C ATOM 1228 C ASP A 77 17.690 0.054 3.718 1.00 0.00 C ATOM 1229 O ASP A 77 16.831 -0.707 4.163 1.00 0.00 O ATOM 1230 CB ASP A 77 19.438 -0.189 5.478 1.00 0.00 C ATOM 1231 CG ASP A 77 20.221 -1.158 4.616 1.00 0.00 C ATOM 1232 OD1 ASP A 77 21.261 -0.750 4.051 1.00 0.00 O ATOM 1233 OD2 ASP A 77 19.803 -2.326 4.498 1.00 0.00 O ATOM 0 H ASP A 77 17.952 1.506 6.491 1.00 0.00 H new ATOM 0 HA ASP A 77 19.327 1.384 4.029 1.00 0.00 H new ATOM 0 HB2 ASP A 77 20.124 0.355 6.127 1.00 0.00 H new ATOM 0 HB3 ASP A 77 18.761 -0.746 6.126 1.00 0.00 H new ATOM 1238 N ALA A 78 17.881 0.272 2.427 1.00 0.00 N ATOM 1239 CA ALA A 78 17.004 -0.266 1.397 1.00 0.00 C ATOM 1240 C ALA A 78 17.000 -1.788 1.379 1.00 0.00 C ATOM 1241 O ALA A 78 15.982 -2.406 1.078 1.00 0.00 O ATOM 1242 CB ALA A 78 17.424 0.264 0.043 1.00 0.00 C ATOM 0 H ALA A 78 18.653 0.830 2.061 1.00 0.00 H new ATOM 0 HA ALA A 78 15.989 0.058 1.627 1.00 0.00 H new ATOM 0 HB1 ALA A 78 16.766 -0.140 -0.726 1.00 0.00 H new ATOM 0 HB2 ALA A 78 17.358 1.352 0.042 1.00 0.00 H new ATOM 0 HB3 ALA A 78 18.451 -0.037 -0.163 1.00 0.00 H new ATOM 1248 N GLU A 79 18.140 -2.387 1.700 1.00 0.00 N ATOM 1249 CA GLU A 79 18.267 -3.841 1.682 1.00 0.00 C ATOM 1250 C GLU A 79 17.375 -4.478 2.741 1.00 0.00 C ATOM 1251 O GLU A 79 16.680 -5.463 2.474 1.00 0.00 O ATOM 1252 CB GLU A 79 19.719 -4.265 1.893 1.00 0.00 C ATOM 1253 CG GLU A 79 20.636 -3.867 0.751 1.00 0.00 C ATOM 1254 CD GLU A 79 21.983 -4.552 0.824 1.00 0.00 C ATOM 1255 OE1 GLU A 79 22.877 -4.049 1.535 1.00 0.00 O ATOM 1256 OE2 GLU A 79 22.155 -5.597 0.160 1.00 0.00 O ATOM 0 H GLU A 79 18.988 -1.891 1.975 1.00 0.00 H new ATOM 0 HA GLU A 79 17.944 -4.190 0.701 1.00 0.00 H new ATOM 0 HB2 GLU A 79 20.089 -3.821 2.817 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.759 -5.347 2.021 1.00 0.00 H new ATOM 0 HG2 GLU A 79 20.158 -4.113 -0.197 1.00 0.00 H new ATOM 0 HG3 GLU A 79 20.780 -2.787 0.765 1.00 0.00 H new ATOM 1263 N GLU A 80 17.392 -3.913 3.940 1.00 0.00 N ATOM 1264 CA GLU A 80 16.525 -4.383 5.005 1.00 0.00 C ATOM 1265 C GLU A 80 15.062 -4.137 4.644 1.00 0.00 C ATOM 1266 O GLU A 80 14.214 -5.015 4.817 1.00 0.00 O ATOM 1267 CB GLU A 80 16.878 -3.699 6.321 1.00 0.00 C ATOM 1268 CG GLU A 80 15.947 -4.073 7.457 1.00 0.00 C ATOM 1269 CD GLU A 80 16.515 -3.727 8.814 1.00 0.00 C ATOM 1270 OE1 GLU A 80 17.008 -4.645 9.507 1.00 0.00 O ATOM 1271 OE2 GLU A 80 16.487 -2.540 9.194 1.00 0.00 O ATOM 0 H GLU A 80 17.995 -3.132 4.197 1.00 0.00 H new ATOM 0 HA GLU A 80 16.674 -5.456 5.128 1.00 0.00 H new ATOM 0 HB2 GLU A 80 17.900 -3.960 6.596 1.00 0.00 H new ATOM 0 HB3 GLU A 80 16.852 -2.619 6.180 1.00 0.00 H new ATOM 0 HG2 GLU A 80 14.994 -3.560 7.325 1.00 0.00 H new ATOM 0 HG3 GLU A 80 15.741 -5.143 7.416 1.00 0.00 H new ATOM 1278 N VAL A 81 14.782 -2.947 4.119 1.00 0.00 N ATOM 1279 CA VAL A 81 13.438 -2.593 3.670 1.00 0.00 C ATOM 1280 C VAL A 81 12.922 -3.581 2.621 1.00 0.00 C ATOM 1281 O VAL A 81 11.784 -4.042 2.704 1.00 0.00 O ATOM 1282 CB VAL A 81 13.409 -1.162 3.106 1.00 0.00 C ATOM 1283 CG1 VAL A 81 12.048 -0.820 2.520 1.00 0.00 C ATOM 1284 CG2 VAL A 81 13.775 -0.181 4.196 1.00 0.00 C ATOM 0 H VAL A 81 15.473 -2.207 3.993 1.00 0.00 H new ATOM 0 HA VAL A 81 12.780 -2.642 4.538 1.00 0.00 H new ATOM 0 HB VAL A 81 14.138 -1.097 2.298 1.00 0.00 H new ATOM 0 HG11 VAL A 81 12.065 0.198 2.131 1.00 0.00 H new ATOM 0 HG12 VAL A 81 11.815 -1.513 1.712 1.00 0.00 H new ATOM 0 HG13 VAL A 81 11.287 -0.899 3.296 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.754 0.832 3.795 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.059 -0.263 5.014 1.00 0.00 H new ATOM 0 HG23 VAL A 81 14.776 -0.405 4.566 1.00 0.00 H new ATOM 1294 N ARG A 82 13.770 -3.901 1.640 1.00 0.00 N ATOM 1295 CA ARG A 82 13.448 -4.901 0.626 1.00 0.00 C ATOM 1296 C ARG A 82 13.039 -6.214 1.280 1.00 0.00 C ATOM 1297 O ARG A 82 12.059 -6.842 0.884 1.00 0.00 O ATOM 1298 CB ARG A 82 14.654 -5.132 -0.284 1.00 0.00 C ATOM 1299 CG ARG A 82 14.342 -6.015 -1.477 1.00 0.00 C ATOM 1300 CD ARG A 82 15.559 -6.195 -2.362 1.00 0.00 C ATOM 1301 NE ARG A 82 15.250 -6.938 -3.584 1.00 0.00 N ATOM 1302 CZ ARG A 82 15.690 -6.597 -4.797 1.00 0.00 C ATOM 1303 NH1 ARG A 82 16.430 -5.504 -4.961 1.00 0.00 N ATOM 1304 NH2 ARG A 82 15.382 -7.349 -5.846 1.00 0.00 N ATOM 0 H ARG A 82 14.691 -3.477 1.529 1.00 0.00 H new ATOM 0 HA ARG A 82 12.613 -4.531 0.031 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.023 -4.170 -0.639 1.00 0.00 H new ATOM 0 HB3 ARG A 82 15.457 -5.587 0.296 1.00 0.00 H new ATOM 0 HG2 ARG A 82 13.994 -6.988 -1.131 1.00 0.00 H new ATOM 0 HG3 ARG A 82 13.531 -5.574 -2.056 1.00 0.00 H new ATOM 0 HD2 ARG A 82 15.962 -5.217 -2.626 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.336 -6.720 -1.806 1.00 0.00 H new ATOM 0 HE ARG A 82 14.662 -7.768 -3.504 1.00 0.00 H new ATOM 0 HH11 ARG A 82 16.664 -4.921 -4.157 1.00 0.00 H new ATOM 0 HH12 ARG A 82 16.763 -5.249 -5.891 1.00 0.00 H new ATOM 0 HH21 ARG A 82 14.810 -8.185 -5.724 1.00 0.00 H new ATOM 0 HH22 ARG A 82 15.717 -7.091 -6.774 1.00 0.00 H new ATOM 1318 N THR A 83 13.791 -6.599 2.302 1.00 0.00 N ATOM 1319 CA THR A 83 13.535 -7.828 3.038 1.00 0.00 C ATOM 1320 C THR A 83 12.144 -7.808 3.680 1.00 0.00 C ATOM 1321 O THR A 83 11.334 -8.713 3.465 1.00 0.00 O ATOM 1322 CB THR A 83 14.613 -8.020 4.125 1.00 0.00 C ATOM 1323 OG1 THR A 83 15.868 -8.360 3.518 1.00 0.00 O ATOM 1324 CG2 THR A 83 14.216 -9.088 5.131 1.00 0.00 C ATOM 0 H THR A 83 14.593 -6.069 2.643 1.00 0.00 H new ATOM 0 HA THR A 83 13.573 -8.661 2.336 1.00 0.00 H new ATOM 0 HB THR A 83 14.712 -7.077 4.663 1.00 0.00 H new ATOM 0 HG1 THR A 83 16.280 -7.553 3.144 1.00 0.00 H new ATOM 0 HG21 THR A 83 15.001 -9.193 5.879 1.00 0.00 H new ATOM 0 HG22 THR A 83 13.285 -8.800 5.620 1.00 0.00 H new ATOM 0 HG23 THR A 83 14.076 -10.039 4.616 1.00 0.00 H new ATOM 1332 N GLU A 84 11.877 -6.762 4.456 1.00 0.00 N ATOM 1333 CA GLU A 84 10.607 -6.612 5.159 1.00 0.00 C ATOM 1334 C GLU A 84 9.423 -6.605 4.187 1.00 0.00 C ATOM 1335 O GLU A 84 8.378 -7.196 4.471 1.00 0.00 O ATOM 1336 CB GLU A 84 10.617 -5.333 5.996 1.00 0.00 C ATOM 1337 CG GLU A 84 11.830 -5.222 6.902 1.00 0.00 C ATOM 1338 CD GLU A 84 11.705 -4.125 7.938 1.00 0.00 C ATOM 1339 OE1 GLU A 84 12.191 -3.003 7.692 1.00 0.00 O ATOM 1340 OE2 GLU A 84 11.124 -4.388 9.013 1.00 0.00 O ATOM 0 H GLU A 84 12.532 -5.997 4.615 1.00 0.00 H new ATOM 0 HA GLU A 84 10.486 -7.470 5.820 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.588 -4.470 5.330 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.713 -5.297 6.604 1.00 0.00 H new ATOM 0 HG2 GLU A 84 11.985 -6.175 7.409 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.715 -5.038 6.292 1.00 0.00 H new ATOM 1347 N VAL A 85 9.589 -5.933 3.048 1.00 0.00 N ATOM 1348 CA VAL A 85 8.575 -5.927 1.999 1.00 0.00 C ATOM 1349 C VAL A 85 8.300 -7.341 1.494 1.00 0.00 C ATOM 1350 O VAL A 85 7.147 -7.762 1.400 1.00 0.00 O ATOM 1351 CB VAL A 85 9.008 -5.039 0.812 1.00 0.00 C ATOM 1352 CG1 VAL A 85 8.150 -5.312 -0.411 1.00 0.00 C ATOM 1353 CG2 VAL A 85 8.933 -3.572 1.197 1.00 0.00 C ATOM 0 H VAL A 85 10.421 -5.384 2.830 1.00 0.00 H new ATOM 0 HA VAL A 85 7.663 -5.519 2.435 1.00 0.00 H new ATOM 0 HB VAL A 85 10.040 -5.283 0.562 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.475 -4.674 -1.233 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.252 -6.358 -0.701 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.106 -5.100 -0.178 1.00 0.00 H new ATOM 0 HG21 VAL A 85 9.241 -2.958 0.351 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.909 -3.321 1.475 1.00 0.00 H new ATOM 0 HG23 VAL A 85 9.595 -3.383 2.042 1.00 0.00 H new ATOM 1363 N LEU A 86 9.368 -8.071 1.184 1.00 0.00 N ATOM 1364 CA LEU A 86 9.260 -9.429 0.661 1.00 0.00 C ATOM 1365 C LEU A 86 8.521 -10.348 1.633 1.00 0.00 C ATOM 1366 O LEU A 86 7.863 -11.301 1.219 1.00 0.00 O ATOM 1367 CB LEU A 86 10.648 -9.991 0.369 1.00 0.00 C ATOM 1368 CG LEU A 86 11.371 -9.338 -0.802 1.00 0.00 C ATOM 1369 CD1 LEU A 86 12.842 -9.706 -0.782 1.00 0.00 C ATOM 1370 CD2 LEU A 86 10.732 -9.757 -2.113 1.00 0.00 C ATOM 0 H LEU A 86 10.327 -7.740 1.288 1.00 0.00 H new ATOM 0 HA LEU A 86 8.684 -9.384 -0.263 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.263 -9.883 1.262 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.557 -11.059 0.171 1.00 0.00 H new ATOM 0 HG LEU A 86 11.286 -8.255 -0.708 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.347 -9.233 -1.624 1.00 0.00 H new ATOM 0 HD12 LEU A 86 13.291 -9.362 0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 86 12.947 -10.788 -0.857 1.00 0.00 H new ATOM 0 HD21 LEU A 86 11.258 -9.283 -2.942 1.00 0.00 H new ATOM 0 HD22 LEU A 86 10.792 -10.840 -2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.687 -9.449 -2.123 1.00 0.00 H new ATOM 1382 N LYS A 87 8.616 -10.043 2.923 1.00 0.00 N ATOM 1383 CA LYS A 87 7.928 -10.824 3.951 1.00 0.00 C ATOM 1384 C LYS A 87 6.427 -10.550 3.923 1.00 0.00 C ATOM 1385 O LYS A 87 5.651 -11.188 4.636 1.00 0.00 O ATOM 1386 CB LYS A 87 8.490 -10.508 5.337 1.00 0.00 C ATOM 1387 CG LYS A 87 9.914 -10.998 5.545 1.00 0.00 C ATOM 1388 CD LYS A 87 10.416 -10.685 6.944 1.00 0.00 C ATOM 1389 CE LYS A 87 11.843 -11.168 7.139 1.00 0.00 C ATOM 1390 NZ LYS A 87 12.306 -10.993 8.541 1.00 0.00 N ATOM 0 H LYS A 87 9.162 -9.261 3.284 1.00 0.00 H new ATOM 0 HA LYS A 87 8.095 -11.880 3.738 1.00 0.00 H new ATOM 0 HB2 LYS A 87 8.459 -9.430 5.495 1.00 0.00 H new ATOM 0 HB3 LYS A 87 7.846 -10.959 6.092 1.00 0.00 H new ATOM 0 HG2 LYS A 87 9.957 -12.074 5.375 1.00 0.00 H new ATOM 0 HG3 LYS A 87 10.570 -10.532 4.810 1.00 0.00 H new ATOM 0 HD2 LYS A 87 10.367 -9.610 7.118 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.766 -11.158 7.680 1.00 0.00 H new ATOM 0 HE2 LYS A 87 11.910 -12.221 6.864 1.00 0.00 H new ATOM 0 HE3 LYS A 87 12.505 -10.621 6.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.284 -11.335 8.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.268 -9.985 8.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.691 -11.536 9.180 1.00 0.00 H new ATOM 1404 N CYS A 88 6.031 -9.590 3.107 1.00 0.00 N ATOM 1405 CA CYS A 88 4.628 -9.254 2.933 1.00 0.00 C ATOM 1406 C CYS A 88 4.185 -9.477 1.491 1.00 0.00 C ATOM 1407 O CYS A 88 3.002 -9.355 1.171 1.00 0.00 O ATOM 1408 CB CYS A 88 4.377 -7.808 3.353 1.00 0.00 C ATOM 1409 SG CYS A 88 4.181 -7.595 5.151 1.00 0.00 S ATOM 0 H CYS A 88 6.669 -9.023 2.548 1.00 0.00 H new ATOM 0 HA CYS A 88 4.038 -9.913 3.570 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.207 -7.190 3.011 1.00 0.00 H new ATOM 0 HB3 CYS A 88 3.480 -7.443 2.852 1.00 0.00 H new ATOM 1414 N VAL A 89 5.137 -9.793 0.617 1.00 0.00 N ATOM 1415 CA VAL A 89 4.820 -10.113 -0.762 1.00 0.00 C ATOM 1416 C VAL A 89 4.367 -11.559 -0.870 1.00 0.00 C ATOM 1417 O VAL A 89 5.063 -12.476 -0.428 1.00 0.00 O ATOM 1418 CB VAL A 89 6.018 -9.888 -1.702 1.00 0.00 C ATOM 1419 CG1 VAL A 89 5.654 -10.290 -3.121 1.00 0.00 C ATOM 1420 CG2 VAL A 89 6.481 -8.440 -1.664 1.00 0.00 C ATOM 0 H VAL A 89 6.131 -9.833 0.844 1.00 0.00 H new ATOM 0 HA VAL A 89 4.019 -9.442 -1.070 1.00 0.00 H new ATOM 0 HB VAL A 89 6.842 -10.513 -1.357 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.509 -10.126 -3.776 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.378 -11.344 -3.141 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.813 -9.688 -3.465 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.328 -8.311 -2.338 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.665 -7.789 -1.978 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.782 -8.181 -0.649 1.00 0.00 H new ATOM 1430 N ASP A 90 3.200 -11.752 -1.450 1.00 0.00 N ATOM 1431 CA ASP A 90 2.623 -13.078 -1.598 1.00 0.00 C ATOM 1432 C ASP A 90 1.982 -13.240 -2.970 1.00 0.00 C ATOM 1433 O ASP A 90 2.051 -12.336 -3.811 1.00 0.00 O ATOM 1434 CB ASP A 90 1.584 -13.343 -0.494 1.00 0.00 C ATOM 1435 CG ASP A 90 0.478 -12.302 -0.446 1.00 0.00 C ATOM 1436 OD1 ASP A 90 0.172 -11.811 0.661 1.00 0.00 O ATOM 1437 OD2 ASP A 90 -0.101 -11.980 -1.500 1.00 0.00 O ATOM 0 H ASP A 90 2.625 -11.000 -1.831 1.00 0.00 H new ATOM 0 HA ASP A 90 3.428 -13.807 -1.504 1.00 0.00 H new ATOM 0 HB2 ASP A 90 1.141 -14.327 -0.650 1.00 0.00 H new ATOM 0 HB3 ASP A 90 2.089 -13.371 0.471 1.00 0.00 H new ATOM 1442 N LYS A 91 1.369 -14.396 -3.190 1.00 0.00 N ATOM 1443 CA LYS A 91 0.717 -14.699 -4.451 1.00 0.00 C ATOM 1444 C LYS A 91 -0.788 -14.496 -4.323 1.00 0.00 C ATOM 1445 O LYS A 91 -1.355 -14.637 -3.237 1.00 0.00 O ATOM 1446 CB LYS A 91 1.020 -16.142 -4.862 1.00 0.00 C ATOM 1447 CG LYS A 91 1.601 -16.270 -6.258 1.00 0.00 C ATOM 1448 CD LYS A 91 1.796 -17.720 -6.660 1.00 0.00 C ATOM 1449 CE LYS A 91 2.370 -17.829 -8.065 1.00 0.00 C ATOM 1450 NZ LYS A 91 2.599 -19.239 -8.468 1.00 0.00 N ATOM 0 H LYS A 91 1.311 -15.145 -2.500 1.00 0.00 H new ATOM 0 HA LYS A 91 1.099 -14.025 -5.218 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.719 -16.575 -4.146 1.00 0.00 H new ATOM 0 HB3 LYS A 91 0.102 -16.727 -4.805 1.00 0.00 H new ATOM 0 HG2 LYS A 91 0.939 -15.781 -6.973 1.00 0.00 H new ATOM 0 HG3 LYS A 91 2.558 -15.749 -6.302 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.465 -18.210 -5.952 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.842 -18.245 -6.612 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.688 -17.357 -8.772 1.00 0.00 H new ATOM 0 HE3 LYS A 91 3.311 -17.281 -8.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 2.990 -19.266 -9.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 3.270 -19.684 -7.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 1.697 -19.757 -8.446 1.00 0.00 H new ATOM 1464 N ASN A 92 -1.432 -14.186 -5.438 1.00 0.00 N ATOM 1465 CA ASN A 92 -2.858 -13.870 -5.449 1.00 0.00 C ATOM 1466 C ASN A 92 -3.696 -15.145 -5.416 1.00 0.00 C ATOM 1467 O ASN A 92 -4.433 -15.444 -6.352 1.00 0.00 O ATOM 1468 CB ASN A 92 -3.206 -13.048 -6.692 1.00 0.00 C ATOM 1469 CG ASN A 92 -4.575 -12.393 -6.623 1.00 0.00 C ATOM 1470 OD1 ASN A 92 -5.227 -12.192 -7.647 1.00 0.00 O ATOM 1471 ND2 ASN A 92 -5.021 -12.049 -5.426 1.00 0.00 N ATOM 0 H ASN A 92 -0.988 -14.146 -6.355 1.00 0.00 H new ATOM 0 HA ASN A 92 -3.085 -13.285 -4.558 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -2.449 -12.276 -6.830 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -3.165 -13.695 -7.568 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -5.933 -11.602 -5.331 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.453 -12.231 -4.598 1.00 0.00 H new ATOM 1478 N THR A 93 -3.580 -15.887 -4.324 1.00 0.00 N ATOM 1479 CA THR A 93 -4.317 -17.135 -4.154 1.00 0.00 C ATOM 1480 C THR A 93 -5.794 -16.854 -3.875 1.00 0.00 C ATOM 1481 O THR A 93 -6.660 -17.710 -4.061 1.00 0.00 O ATOM 1482 CB THR A 93 -3.712 -17.998 -3.016 1.00 0.00 C ATOM 1483 OG1 THR A 93 -4.413 -19.242 -2.905 1.00 0.00 O ATOM 1484 CG2 THR A 93 -3.756 -17.270 -1.681 1.00 0.00 C ATOM 0 H THR A 93 -2.979 -15.646 -3.536 1.00 0.00 H new ATOM 0 HA THR A 93 -4.235 -17.697 -5.085 1.00 0.00 H new ATOM 0 HB THR A 93 -2.669 -18.189 -3.270 1.00 0.00 H new ATOM 0 HG1 THR A 93 -4.019 -19.776 -2.184 1.00 0.00 H new ATOM 0 HG21 THR A 93 -3.324 -17.904 -0.907 1.00 0.00 H new ATOM 0 HG22 THR A 93 -3.185 -16.344 -1.752 1.00 0.00 H new ATOM 0 HG23 THR A 93 -4.790 -17.040 -1.426 1.00 0.00 H new ATOM 1492 N ASP A 94 -6.067 -15.635 -3.440 1.00 0.00 N ATOM 1493 CA ASP A 94 -7.427 -15.181 -3.181 1.00 0.00 C ATOM 1494 C ASP A 94 -8.106 -14.776 -4.483 1.00 0.00 C ATOM 1495 O ASP A 94 -9.331 -14.694 -4.563 1.00 0.00 O ATOM 1496 CB ASP A 94 -7.400 -14.005 -2.206 1.00 0.00 C ATOM 1497 CG ASP A 94 -6.438 -12.920 -2.648 1.00 0.00 C ATOM 1498 OD1 ASP A 94 -6.879 -11.779 -2.858 1.00 0.00 O ATOM 1499 OD2 ASP A 94 -5.226 -13.213 -2.778 1.00 0.00 O ATOM 0 H ASP A 94 -5.353 -14.930 -3.256 1.00 0.00 H new ATOM 0 HA ASP A 94 -7.997 -15.997 -2.736 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -8.402 -13.586 -2.116 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -7.114 -14.361 -1.216 1.00 0.00 H new ATOM 1504 N ASN A 95 -7.280 -14.533 -5.498 1.00 0.00 N ATOM 1505 CA ASN A 95 -7.729 -14.274 -6.864 1.00 0.00 C ATOM 1506 C ASN A 95 -8.513 -12.966 -7.011 1.00 0.00 C ATOM 1507 O ASN A 95 -9.237 -12.783 -7.991 1.00 0.00 O ATOM 1508 CB ASN A 95 -8.567 -15.444 -7.387 1.00 0.00 C ATOM 1509 CG ASN A 95 -7.803 -16.758 -7.439 1.00 0.00 C ATOM 1510 OD1 ASN A 95 -8.373 -17.829 -7.235 1.00 0.00 O ATOM 1511 ND2 ASN A 95 -6.516 -16.697 -7.731 1.00 0.00 N ATOM 0 H ASN A 95 -6.266 -14.510 -5.393 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.824 -14.169 -7.463 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -9.443 -15.567 -6.751 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -8.930 -15.203 -8.386 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -5.966 -17.554 -7.793 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -6.072 -15.793 -7.895 1.00 0.00 H new ATOM 1518 N ASN A 96 -8.368 -12.053 -6.057 1.00 0.00 N ATOM 1519 CA ASN A 96 -8.933 -10.714 -6.211 1.00 0.00 C ATOM 1520 C ASN A 96 -7.827 -9.676 -6.086 1.00 0.00 C ATOM 1521 O ASN A 96 -7.070 -9.673 -5.118 1.00 0.00 O ATOM 1522 CB ASN A 96 -10.045 -10.417 -5.187 1.00 0.00 C ATOM 1523 CG ASN A 96 -10.437 -11.609 -4.332 1.00 0.00 C ATOM 1524 OD1 ASN A 96 -9.931 -11.791 -3.223 1.00 0.00 O ATOM 1525 ND2 ASN A 96 -11.349 -12.424 -4.836 1.00 0.00 N ATOM 0 H ASN A 96 -7.872 -12.210 -5.180 1.00 0.00 H new ATOM 0 HA ASN A 96 -9.388 -10.666 -7.201 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -9.716 -9.608 -4.534 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -10.927 -10.059 -5.718 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -11.657 -13.237 -4.303 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -11.744 -12.239 -5.758 1.00 0.00 H new ATOM 1532 N ALA A 97 -7.744 -8.801 -7.084 1.00 0.00 N ATOM 1533 CA ALA A 97 -6.658 -7.832 -7.183 1.00 0.00 C ATOM 1534 C ALA A 97 -6.752 -6.757 -6.108 1.00 0.00 C ATOM 1535 O ALA A 97 -5.733 -6.330 -5.563 1.00 0.00 O ATOM 1536 CB ALA A 97 -6.641 -7.197 -8.566 1.00 0.00 C ATOM 0 H ALA A 97 -8.424 -8.744 -7.843 1.00 0.00 H new ATOM 0 HA ALA A 97 -5.724 -8.371 -7.024 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.826 -6.476 -8.625 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -6.497 -7.971 -9.320 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.588 -6.689 -8.745 1.00 0.00 H new ATOM 1542 N CYS A 98 -7.970 -6.314 -5.805 1.00 0.00 N ATOM 1543 CA CYS A 98 -8.172 -5.305 -4.768 1.00 0.00 C ATOM 1544 C CYS A 98 -7.717 -5.841 -3.417 1.00 0.00 C ATOM 1545 O CYS A 98 -7.096 -5.130 -2.629 1.00 0.00 O ATOM 1546 CB CYS A 98 -9.641 -4.877 -4.681 1.00 0.00 C ATOM 1547 SG CYS A 98 -10.321 -4.163 -6.214 1.00 0.00 S ATOM 0 H CYS A 98 -8.826 -6.635 -6.258 1.00 0.00 H new ATOM 0 HA CYS A 98 -7.576 -4.433 -5.035 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -10.241 -5.743 -4.403 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -9.745 -4.146 -3.879 1.00 0.00 H new ATOM 1552 N HIS A 99 -8.001 -7.111 -3.168 1.00 0.00 N ATOM 1553 CA HIS A 99 -7.662 -7.728 -1.897 1.00 0.00 C ATOM 1554 C HIS A 99 -6.181 -8.093 -1.852 1.00 0.00 C ATOM 1555 O HIS A 99 -5.583 -8.143 -0.780 1.00 0.00 O ATOM 1556 CB HIS A 99 -8.539 -8.964 -1.669 1.00 0.00 C ATOM 1557 CG HIS A 99 -8.227 -9.722 -0.415 1.00 0.00 C ATOM 1558 ND1 HIS A 99 -7.473 -10.869 -0.414 1.00 0.00 N ATOM 1559 CD2 HIS A 99 -8.579 -9.504 0.875 1.00 0.00 C ATOM 1560 CE1 HIS A 99 -7.370 -11.326 0.817 1.00 0.00 C ATOM 1561 NE2 HIS A 99 -8.032 -10.518 1.623 1.00 0.00 N ATOM 0 H HIS A 99 -8.465 -7.733 -3.830 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.852 -7.014 -1.096 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -9.583 -8.653 -1.641 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -8.429 -9.635 -2.521 1.00 0.00 H new ATOM 0 HD1 HIS A 99 -7.057 -11.301 -1.239 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -9.178 -8.686 1.246 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -6.833 -12.214 1.117 1.00 0.00 H new ATOM 1570 N TRP A 100 -5.598 -8.340 -3.019 1.00 0.00 N ATOM 1571 CA TRP A 100 -4.176 -8.664 -3.115 1.00 0.00 C ATOM 1572 C TRP A 100 -3.336 -7.470 -2.667 1.00 0.00 C ATOM 1573 O TRP A 100 -2.510 -7.579 -1.757 1.00 0.00 O ATOM 1574 CB TRP A 100 -3.814 -9.067 -4.552 1.00 0.00 C ATOM 1575 CG TRP A 100 -2.425 -9.619 -4.701 1.00 0.00 C ATOM 1576 CD1 TRP A 100 -1.563 -9.963 -3.700 1.00 0.00 C ATOM 1577 CD2 TRP A 100 -1.746 -9.912 -5.930 1.00 0.00 C ATOM 1578 NE1 TRP A 100 -0.390 -10.440 -4.228 1.00 0.00 N ATOM 1579 CE2 TRP A 100 -0.478 -10.421 -5.595 1.00 0.00 C ATOM 1580 CE3 TRP A 100 -2.087 -9.793 -7.280 1.00 0.00 C ATOM 1581 CZ2 TRP A 100 0.449 -10.810 -6.560 1.00 0.00 C ATOM 1582 CZ3 TRP A 100 -1.169 -10.180 -8.236 1.00 0.00 C ATOM 1583 CH2 TRP A 100 0.085 -10.683 -7.875 1.00 0.00 C ATOM 0 H TRP A 100 -6.087 -8.323 -3.914 1.00 0.00 H new ATOM 0 HA TRP A 100 -3.963 -9.508 -2.459 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -4.529 -9.812 -4.900 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -3.919 -8.197 -5.200 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -1.774 -9.873 -2.645 1.00 0.00 H new ATOM 0 HE1 TRP A 100 0.417 -10.757 -3.690 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -3.052 -9.405 -7.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 1.418 -11.197 -6.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -1.424 -10.093 -9.282 1.00 0.00 H new ATOM 0 HH2 TRP A 100 0.780 -10.977 -8.648 1.00 0.00 H new ATOM 1594 N ALA A 101 -3.575 -6.324 -3.299 1.00 0.00 N ATOM 1595 CA ALA A 101 -2.877 -5.092 -2.953 1.00 0.00 C ATOM 1596 C ALA A 101 -3.145 -4.715 -1.506 1.00 0.00 C ATOM 1597 O ALA A 101 -2.264 -4.227 -0.797 1.00 0.00 O ATOM 1598 CB ALA A 101 -3.313 -3.966 -3.875 1.00 0.00 C ATOM 0 H ALA A 101 -4.250 -6.224 -4.057 1.00 0.00 H new ATOM 0 HA ALA A 101 -1.806 -5.256 -3.076 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -2.785 -3.051 -3.607 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.081 -4.230 -4.907 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -4.387 -3.808 -3.774 1.00 0.00 H new ATOM 1604 N PHE A 102 -4.372 -4.964 -1.076 1.00 0.00 N ATOM 1605 CA PHE A 102 -4.792 -4.636 0.272 1.00 0.00 C ATOM 1606 C PHE A 102 -4.085 -5.521 1.294 1.00 0.00 C ATOM 1607 O PHE A 102 -3.787 -5.081 2.401 1.00 0.00 O ATOM 1608 CB PHE A 102 -6.306 -4.778 0.394 1.00 0.00 C ATOM 1609 CG PHE A 102 -6.848 -4.365 1.735 1.00 0.00 C ATOM 1610 CD1 PHE A 102 -7.293 -5.310 2.647 1.00 0.00 C ATOM 1611 CD2 PHE A 102 -6.911 -3.024 2.081 1.00 0.00 C ATOM 1612 CE1 PHE A 102 -7.792 -4.924 3.877 1.00 0.00 C ATOM 1613 CE2 PHE A 102 -7.406 -2.633 3.309 1.00 0.00 C ATOM 1614 CZ PHE A 102 -7.849 -3.583 4.209 1.00 0.00 C ATOM 0 H PHE A 102 -5.098 -5.396 -1.648 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.517 -3.602 0.479 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -6.782 -4.177 -0.381 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -6.581 -5.816 0.205 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -7.249 -6.359 2.394 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -6.569 -2.276 1.381 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -8.137 -5.669 4.578 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -7.447 -1.585 3.566 1.00 0.00 H new ATOM 0 HZ PHE A 102 -8.239 -3.279 5.169 1.00 0.00 H new ATOM 1624 N ARG A 103 -3.801 -6.763 0.914 1.00 0.00 N ATOM 1625 CA ARG A 103 -3.158 -7.702 1.819 1.00 0.00 C ATOM 1626 C ARG A 103 -1.687 -7.347 1.987 1.00 0.00 C ATOM 1627 O ARG A 103 -1.140 -7.447 3.085 1.00 0.00 O ATOM 1628 CB ARG A 103 -3.312 -9.136 1.320 1.00 0.00 C ATOM 1629 CG ARG A 103 -2.859 -10.163 2.342 1.00 0.00 C ATOM 1630 CD ARG A 103 -3.144 -11.582 1.888 1.00 0.00 C ATOM 1631 NE ARG A 103 -2.555 -11.872 0.586 1.00 0.00 N ATOM 1632 CZ ARG A 103 -3.197 -12.498 -0.393 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -4.399 -13.010 -0.183 1.00 0.00 N ATOM 1634 NH2 ARG A 103 -2.618 -12.661 -1.569 1.00 0.00 N ATOM 0 H ARG A 103 -4.006 -7.139 -0.012 1.00 0.00 H new ATOM 0 HA ARG A 103 -3.648 -7.632 2.790 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -4.356 -9.318 1.066 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -2.735 -9.262 0.404 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -1.790 -10.048 2.522 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -3.364 -9.978 3.290 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -2.754 -12.283 2.626 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -4.222 -11.737 1.840 1.00 0.00 H new ATOM 0 HE ARG A 103 -1.593 -11.577 0.418 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -4.837 -12.925 0.734 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -4.888 -13.490 -0.939 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -1.675 -12.305 -1.727 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -3.114 -13.142 -2.319 1.00 0.00 H new ATOM 1648 N GLY A 104 -1.059 -6.912 0.898 1.00 0.00 N ATOM 1649 CA GLY A 104 0.324 -6.473 0.964 1.00 0.00 C ATOM 1650 C GLY A 104 0.474 -5.254 1.853 1.00 0.00 C ATOM 1651 O GLY A 104 1.362 -5.196 2.707 1.00 0.00 O ATOM 0 H GLY A 104 -1.483 -6.856 -0.028 1.00 0.00 H new ATOM 0 HA2 GLY A 104 0.947 -7.282 1.345 1.00 0.00 H new ATOM 0 HA3 GLY A 104 0.682 -6.240 -0.039 1.00 0.00 H new ATOM 1655 N PHE A 105 -0.425 -4.293 1.665 1.00 0.00 N ATOM 1656 CA PHE A 105 -0.420 -3.060 2.438 1.00 0.00 C ATOM 1657 C PHE A 105 -0.697 -3.341 3.913 1.00 0.00 C ATOM 1658 O PHE A 105 0.026 -2.874 4.791 1.00 0.00 O ATOM 1659 CB PHE A 105 -1.458 -2.092 1.858 1.00 0.00 C ATOM 1660 CG PHE A 105 -1.742 -0.891 2.715 1.00 0.00 C ATOM 1661 CD1 PHE A 105 -3.046 -0.510 2.992 1.00 0.00 C ATOM 1662 CD2 PHE A 105 -0.703 -0.141 3.243 1.00 0.00 C ATOM 1663 CE1 PHE A 105 -3.308 0.594 3.777 1.00 0.00 C ATOM 1664 CE2 PHE A 105 -0.961 0.966 4.029 1.00 0.00 C ATOM 1665 CZ PHE A 105 -2.265 1.333 4.295 1.00 0.00 C ATOM 0 H PHE A 105 -1.174 -4.348 0.975 1.00 0.00 H new ATOM 0 HA PHE A 105 0.567 -2.602 2.373 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.112 -1.752 0.882 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.390 -2.634 1.695 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -3.867 -1.084 2.588 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.319 -0.425 3.038 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -4.329 0.879 3.986 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -0.143 1.543 4.435 1.00 0.00 H new ATOM 0 HZ PHE A 105 -2.468 2.198 4.908 1.00 0.00 H new ATOM 1675 N LYS A 106 -1.730 -4.135 4.166 1.00 0.00 N ATOM 1676 CA LYS A 106 -2.154 -4.448 5.527 1.00 0.00 C ATOM 1677 C LYS A 106 -1.062 -5.206 6.283 1.00 0.00 C ATOM 1678 O LYS A 106 -0.800 -4.933 7.454 1.00 0.00 O ATOM 1679 CB LYS A 106 -3.468 -5.247 5.496 1.00 0.00 C ATOM 1680 CG LYS A 106 -3.726 -6.084 6.732 1.00 0.00 C ATOM 1681 CD LYS A 106 -4.969 -6.947 6.568 1.00 0.00 C ATOM 1682 CE LYS A 106 -5.257 -7.761 7.819 1.00 0.00 C ATOM 1683 NZ LYS A 106 -6.386 -8.706 7.627 1.00 0.00 N ATOM 0 H LYS A 106 -2.294 -4.578 3.441 1.00 0.00 H new ATOM 0 HA LYS A 106 -2.329 -3.514 6.061 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -4.297 -4.552 5.364 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -3.459 -5.902 4.625 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -2.863 -6.720 6.929 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -3.846 -5.431 7.597 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -5.826 -6.312 6.342 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -4.837 -7.618 5.719 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -4.364 -8.318 8.101 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -5.486 -7.087 8.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -6.449 -9.343 8.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -7.274 -8.172 7.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -6.227 -9.266 6.765 1.00 0.00 H new ATOM 1697 N CYS A 107 -0.416 -6.143 5.596 1.00 0.00 N ATOM 1698 CA CYS A 107 0.653 -6.935 6.186 1.00 0.00 C ATOM 1699 C CYS A 107 1.813 -6.050 6.628 1.00 0.00 C ATOM 1700 O CYS A 107 2.336 -6.191 7.737 1.00 0.00 O ATOM 1701 CB CYS A 107 1.139 -7.983 5.173 1.00 0.00 C ATOM 1702 SG CYS A 107 2.669 -8.862 5.650 1.00 0.00 S ATOM 0 H CYS A 107 -0.618 -6.372 4.623 1.00 0.00 H new ATOM 0 HA CYS A 107 0.262 -7.440 7.070 1.00 0.00 H new ATOM 0 HB2 CYS A 107 0.347 -8.717 5.023 1.00 0.00 H new ATOM 0 HB3 CYS A 107 1.303 -7.491 4.214 1.00 0.00 H new ATOM 1707 N PHE A 108 2.193 -5.120 5.761 1.00 0.00 N ATOM 1708 CA PHE A 108 3.369 -4.302 5.986 1.00 0.00 C ATOM 1709 C PHE A 108 3.111 -3.260 7.067 1.00 0.00 C ATOM 1710 O PHE A 108 3.898 -3.122 7.998 1.00 0.00 O ATOM 1711 CB PHE A 108 3.789 -3.629 4.682 1.00 0.00 C ATOM 1712 CG PHE A 108 5.174 -3.050 4.719 1.00 0.00 C ATOM 1713 CD1 PHE A 108 6.268 -3.836 4.390 1.00 0.00 C ATOM 1714 CD2 PHE A 108 5.388 -1.728 5.078 1.00 0.00 C ATOM 1715 CE1 PHE A 108 7.546 -3.315 4.419 1.00 0.00 C ATOM 1716 CE2 PHE A 108 6.665 -1.204 5.108 1.00 0.00 C ATOM 1717 CZ PHE A 108 7.745 -1.997 4.777 1.00 0.00 C ATOM 0 H PHE A 108 1.698 -4.916 4.893 1.00 0.00 H new ATOM 0 HA PHE A 108 4.178 -4.946 6.330 1.00 0.00 H new ATOM 0 HB2 PHE A 108 3.731 -4.357 3.873 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.079 -2.835 4.448 1.00 0.00 H new ATOM 0 HD1 PHE A 108 6.118 -4.868 4.108 1.00 0.00 H new ATOM 0 HD2 PHE A 108 4.547 -1.102 5.337 1.00 0.00 H new ATOM 0 HE1 PHE A 108 8.390 -3.938 4.162 1.00 0.00 H new ATOM 0 HE2 PHE A 108 6.819 -0.173 5.391 1.00 0.00 H new ATOM 0 HZ PHE A 108 8.744 -1.587 4.798 1.00 0.00 H new ATOM 1727 N GLN A 109 1.991 -2.549 6.959 1.00 0.00 N ATOM 1728 CA GLN A 109 1.669 -1.477 7.897 1.00 0.00 C ATOM 1729 C GLN A 109 1.505 -2.009 9.318 1.00 0.00 C ATOM 1730 O GLN A 109 1.761 -1.298 10.289 1.00 0.00 O ATOM 1731 CB GLN A 109 0.405 -0.727 7.451 1.00 0.00 C ATOM 1732 CG GLN A 109 -0.883 -1.539 7.508 1.00 0.00 C ATOM 1733 CD GLN A 109 -1.709 -1.259 8.753 1.00 0.00 C ATOM 1734 OE1 GLN A 109 -1.181 -0.907 9.806 1.00 0.00 O ATOM 1735 NE2 GLN A 109 -3.016 -1.409 8.639 1.00 0.00 N ATOM 0 H GLN A 109 1.291 -2.696 6.231 1.00 0.00 H new ATOM 0 HA GLN A 109 2.505 -0.777 7.899 1.00 0.00 H new ATOM 0 HB2 GLN A 109 0.286 0.158 8.077 1.00 0.00 H new ATOM 0 HB3 GLN A 109 0.551 -0.377 6.429 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -1.483 -1.321 6.624 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -0.638 -2.601 7.473 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -3.420 -1.703 7.750 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -3.622 -1.231 9.440 1.00 0.00 H new ATOM 1744 N LYS A 110 1.102 -3.269 9.435 1.00 0.00 N ATOM 1745 CA LYS A 110 0.859 -3.877 10.732 1.00 0.00 C ATOM 1746 C LYS A 110 2.169 -4.095 11.485 1.00 0.00 C ATOM 1747 O LYS A 110 2.176 -4.343 12.689 1.00 0.00 O ATOM 1748 CB LYS A 110 0.127 -5.202 10.545 1.00 0.00 C ATOM 1749 CG LYS A 110 -0.396 -5.787 11.837 1.00 0.00 C ATOM 1750 CD LYS A 110 -1.010 -7.162 11.618 1.00 0.00 C ATOM 1751 CE LYS A 110 -1.615 -7.718 12.898 1.00 0.00 C ATOM 1752 NZ LYS A 110 -2.326 -8.999 12.663 1.00 0.00 N ATOM 0 H LYS A 110 0.937 -3.889 8.642 1.00 0.00 H new ATOM 0 HA LYS A 110 0.240 -3.204 11.325 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -0.706 -5.054 9.858 1.00 0.00 H new ATOM 0 HB3 LYS A 110 0.802 -5.919 10.077 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.417 -5.861 12.559 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -1.143 -5.118 12.265 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -1.780 -7.098 10.849 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -0.247 -7.847 11.249 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -0.827 -7.870 13.636 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -2.309 -6.990 13.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -2.724 -9.345 13.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -3.094 -8.849 11.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -1.659 -9.702 12.286 1.00 0.00 H new ATOM 1766 N ASN A 111 3.280 -3.998 10.770 1.00 0.00 N ATOM 1767 CA ASN A 111 4.590 -4.168 11.379 1.00 0.00 C ATOM 1768 C ASN A 111 5.429 -2.912 11.207 1.00 0.00 C ATOM 1769 O ASN A 111 6.231 -2.566 12.071 1.00 0.00 O ATOM 1770 CB ASN A 111 5.319 -5.369 10.771 1.00 0.00 C ATOM 1771 CG ASN A 111 4.644 -6.688 11.093 1.00 0.00 C ATOM 1772 OD1 ASN A 111 4.981 -7.343 12.078 1.00 0.00 O ATOM 1773 ND2 ASN A 111 3.687 -7.093 10.270 1.00 0.00 N ATOM 0 H ASN A 111 3.300 -3.803 9.769 1.00 0.00 H new ATOM 0 HA ASN A 111 4.444 -4.350 12.444 1.00 0.00 H new ATOM 0 HB2 ASN A 111 5.372 -5.247 9.689 1.00 0.00 H new ATOM 0 HB3 ASN A 111 6.345 -5.391 11.140 1.00 0.00 H new ATOM 0 HD21 ASN A 111 3.204 -7.974 10.444 1.00 0.00 H new ATOM 0 HD22 ASN A 111 3.434 -6.523 9.463 1.00 0.00 H new ATOM 1780 N ASN A 112 5.223 -2.218 10.096 1.00 0.00 N ATOM 1781 CA ASN A 112 6.038 -1.063 9.747 1.00 0.00 C ATOM 1782 C ASN A 112 5.187 0.059 9.165 1.00 0.00 C ATOM 1783 O ASN A 112 5.274 0.363 7.977 1.00 0.00 O ATOM 1784 CB ASN A 112 7.106 -1.466 8.730 1.00 0.00 C ATOM 1785 CG ASN A 112 8.219 -2.295 9.335 1.00 0.00 C ATOM 1786 OD1 ASN A 112 8.662 -2.045 10.457 1.00 0.00 O ATOM 1787 ND2 ASN A 112 8.654 -3.310 8.609 1.00 0.00 N ATOM 0 H ASN A 112 4.494 -2.437 9.417 1.00 0.00 H new ATOM 0 HA ASN A 112 6.512 -0.701 10.659 1.00 0.00 H new ATOM 0 HB2 ASN A 112 6.637 -2.031 7.924 1.00 0.00 H new ATOM 0 HB3 ASN A 112 7.532 -0.567 8.284 1.00 0.00 H new ATOM 0 HD21 ASN A 112 9.384 -3.922 8.974 1.00 0.00 H new ATOM 0 HD22 ASN A 112 8.260 -3.482 7.684 1.00 0.00 H new ATOM 1794 N LEU A 113 4.366 0.676 10.001 1.00 0.00 N ATOM 1795 CA LEU A 113 3.517 1.774 9.551 1.00 0.00 C ATOM 1796 C LEU A 113 4.273 3.097 9.601 1.00 0.00 C ATOM 1797 O LEU A 113 4.023 3.999 8.799 1.00 0.00 O ATOM 1798 CB LEU A 113 2.244 1.857 10.397 1.00 0.00 C ATOM 1799 CG LEU A 113 1.341 3.055 10.105 1.00 0.00 C ATOM 1800 CD1 LEU A 113 0.811 2.988 8.682 1.00 0.00 C ATOM 1801 CD2 LEU A 113 0.196 3.098 11.101 1.00 0.00 C ATOM 0 H LEU A 113 4.268 0.439 10.988 1.00 0.00 H new ATOM 0 HA LEU A 113 3.232 1.578 8.517 1.00 0.00 H new ATOM 0 HB2 LEU A 113 1.668 0.944 10.247 1.00 0.00 H new ATOM 0 HB3 LEU A 113 2.528 1.885 11.449 1.00 0.00 H new ATOM 0 HG LEU A 113 1.926 3.969 10.207 1.00 0.00 H new ATOM 0 HD11 LEU A 113 0.170 3.849 8.492 1.00 0.00 H new ATOM 0 HD12 LEU A 113 1.646 2.996 7.982 1.00 0.00 H new ATOM 0 HD13 LEU A 113 0.236 2.071 8.551 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.442 3.955 10.885 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -0.389 2.181 11.023 1.00 0.00 H new ATOM 0 HD23 LEU A 113 0.596 3.189 12.111 1.00 0.00 H new ATOM 1813 N SER A 114 5.215 3.195 10.528 1.00 0.00 N ATOM 1814 CA SER A 114 5.991 4.419 10.698 1.00 0.00 C ATOM 1815 C SER A 114 6.818 4.694 9.447 1.00 0.00 C ATOM 1816 O SER A 114 6.972 5.842 9.030 1.00 0.00 O ATOM 1817 CB SER A 114 6.902 4.316 11.929 1.00 0.00 C ATOM 1818 OG SER A 114 7.511 5.562 12.223 1.00 0.00 O ATOM 0 H SER A 114 5.461 2.445 11.173 1.00 0.00 H new ATOM 0 HA SER A 114 5.301 5.248 10.852 1.00 0.00 H new ATOM 0 HB2 SER A 114 6.320 3.981 12.788 1.00 0.00 H new ATOM 0 HB3 SER A 114 7.672 3.565 11.753 1.00 0.00 H new ATOM 0 HG SER A 114 8.084 5.468 13.012 1.00 0.00 H new ATOM 1824 N LEU A 115 7.322 3.629 8.834 1.00 0.00 N ATOM 1825 CA LEU A 115 8.101 3.746 7.614 1.00 0.00 C ATOM 1826 C LEU A 115 7.232 4.261 6.478 1.00 0.00 C ATOM 1827 O LEU A 115 7.685 5.027 5.631 1.00 0.00 O ATOM 1828 CB LEU A 115 8.690 2.392 7.237 1.00 0.00 C ATOM 1829 CG LEU A 115 9.658 2.418 6.059 1.00 0.00 C ATOM 1830 CD1 LEU A 115 10.890 3.222 6.424 1.00 0.00 C ATOM 1831 CD2 LEU A 115 10.031 1.006 5.642 1.00 0.00 C ATOM 0 H LEU A 115 7.202 2.672 9.166 1.00 0.00 H new ATOM 0 HA LEU A 115 8.911 4.454 7.788 1.00 0.00 H new ATOM 0 HB2 LEU A 115 9.208 1.983 8.105 1.00 0.00 H new ATOM 0 HB3 LEU A 115 7.873 1.710 7.002 1.00 0.00 H new ATOM 0 HG LEU A 115 9.171 2.897 5.209 1.00 0.00 H new ATOM 0 HD11 LEU A 115 11.578 3.237 5.579 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.598 4.242 6.673 1.00 0.00 H new ATOM 0 HD13 LEU A 115 11.381 2.765 7.283 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.722 1.046 4.800 1.00 0.00 H new ATOM 0 HD22 LEU A 115 10.507 0.493 6.478 1.00 0.00 H new ATOM 0 HD23 LEU A 115 9.132 0.464 5.348 1.00 0.00 H new ATOM 1843 N ILE A 116 5.974 3.847 6.481 1.00 0.00 N ATOM 1844 CA ILE A 116 5.033 4.245 5.451 1.00 0.00 C ATOM 1845 C ILE A 116 4.776 5.746 5.526 1.00 0.00 C ATOM 1846 O ILE A 116 4.767 6.443 4.513 1.00 0.00 O ATOM 1847 CB ILE A 116 3.704 3.472 5.586 1.00 0.00 C ATOM 1848 CG1 ILE A 116 3.957 1.965 5.466 1.00 0.00 C ATOM 1849 CG2 ILE A 116 2.701 3.933 4.540 1.00 0.00 C ATOM 1850 CD1 ILE A 116 2.698 1.134 5.535 1.00 0.00 C ATOM 0 H ILE A 116 5.581 3.231 7.192 1.00 0.00 H new ATOM 0 HA ILE A 116 5.469 4.005 4.481 1.00 0.00 H new ATOM 0 HB ILE A 116 3.282 3.678 6.569 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.464 1.764 4.522 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.632 1.654 6.263 1.00 0.00 H new ATOM 0 HG21 ILE A 116 1.772 3.374 4.655 1.00 0.00 H new ATOM 0 HG22 ILE A 116 2.503 4.997 4.670 1.00 0.00 H new ATOM 0 HG23 ILE A 116 3.108 3.759 3.544 1.00 0.00 H new ATOM 0 HD11 ILE A 116 2.953 0.078 5.443 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.201 1.306 6.490 1.00 0.00 H new ATOM 0 HD13 ILE A 116 2.030 1.418 4.722 1.00 0.00 H new ATOM 1862 N LYS A 117 4.614 6.241 6.742 1.00 0.00 N ATOM 1863 CA LYS A 117 4.390 7.660 6.969 1.00 0.00 C ATOM 1864 C LYS A 117 5.640 8.469 6.628 1.00 0.00 C ATOM 1865 O LYS A 117 5.554 9.573 6.090 1.00 0.00 O ATOM 1866 CB LYS A 117 3.986 7.900 8.421 1.00 0.00 C ATOM 1867 CG LYS A 117 2.593 7.378 8.750 1.00 0.00 C ATOM 1868 CD LYS A 117 2.261 7.547 10.225 1.00 0.00 C ATOM 1869 CE LYS A 117 0.848 7.076 10.540 1.00 0.00 C ATOM 1870 NZ LYS A 117 0.565 7.112 11.996 1.00 0.00 N ATOM 0 H LYS A 117 4.634 5.678 7.592 1.00 0.00 H new ATOM 0 HA LYS A 117 3.582 7.990 6.316 1.00 0.00 H new ATOM 0 HB2 LYS A 117 4.711 7.420 9.077 1.00 0.00 H new ATOM 0 HB3 LYS A 117 4.025 8.969 8.630 1.00 0.00 H new ATOM 0 HG2 LYS A 117 1.855 7.908 8.148 1.00 0.00 H new ATOM 0 HG3 LYS A 117 2.527 6.324 8.481 1.00 0.00 H new ATOM 0 HD2 LYS A 117 2.975 6.984 10.826 1.00 0.00 H new ATOM 0 HD3 LYS A 117 2.366 8.595 10.504 1.00 0.00 H new ATOM 0 HE2 LYS A 117 0.130 7.706 10.015 1.00 0.00 H new ATOM 0 HE3 LYS A 117 0.713 6.060 10.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -0.407 6.784 12.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 1.234 6.491 12.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 0.669 8.086 12.346 1.00 0.00 H new ATOM 1884 N ALA A 118 6.798 7.896 6.935 1.00 0.00 N ATOM 1885 CA ALA A 118 8.079 8.550 6.695 1.00 0.00 C ATOM 1886 C ALA A 118 8.443 8.573 5.214 1.00 0.00 C ATOM 1887 O ALA A 118 9.073 9.518 4.737 1.00 0.00 O ATOM 1888 CB ALA A 118 9.161 7.839 7.477 1.00 0.00 C ATOM 0 H ALA A 118 6.876 6.970 7.355 1.00 0.00 H new ATOM 0 HA ALA A 118 7.993 9.585 7.026 1.00 0.00 H new ATOM 0 HB1 ALA A 118 10.119 8.327 7.298 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.926 7.878 8.541 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.218 6.799 7.156 1.00 0.00 H new ATOM 1894 N SER A 119 8.062 7.525 4.496 1.00 0.00 N ATOM 1895 CA SER A 119 8.392 7.405 3.081 1.00 0.00 C ATOM 1896 C SER A 119 7.758 8.528 2.266 1.00 0.00 C ATOM 1897 O SER A 119 8.374 9.062 1.343 1.00 0.00 O ATOM 1898 CB SER A 119 7.957 6.039 2.544 1.00 0.00 C ATOM 1899 OG SER A 119 6.550 5.881 2.580 1.00 0.00 O ATOM 0 H SER A 119 7.523 6.744 4.870 1.00 0.00 H new ATOM 0 HA SER A 119 9.474 7.491 2.981 1.00 0.00 H new ATOM 0 HB2 SER A 119 8.309 5.923 1.519 1.00 0.00 H new ATOM 0 HB3 SER A 119 8.426 5.251 3.133 1.00 0.00 H new ATOM 0 HG SER A 119 6.212 6.158 3.457 1.00 0.00 H new ATOM 1905 N ILE A 120 6.536 8.898 2.627 1.00 0.00 N ATOM 1906 CA ILE A 120 5.820 9.953 1.926 1.00 0.00 C ATOM 1907 C ILE A 120 6.100 11.314 2.559 1.00 0.00 C ATOM 1908 O ILE A 120 5.634 12.344 2.077 1.00 0.00 O ATOM 1909 CB ILE A 120 4.299 9.701 1.927 1.00 0.00 C ATOM 1910 CG1 ILE A 120 3.782 9.560 3.358 1.00 0.00 C ATOM 1911 CG2 ILE A 120 3.966 8.459 1.117 1.00 0.00 C ATOM 1912 CD1 ILE A 120 2.276 9.607 3.463 1.00 0.00 C ATOM 0 H ILE A 120 6.020 8.482 3.402 1.00 0.00 H new ATOM 0 HA ILE A 120 6.177 9.950 0.896 1.00 0.00 H new ATOM 0 HB ILE A 120 3.807 10.557 1.465 1.00 0.00 H new ATOM 0 HG12 ILE A 120 4.138 8.617 3.773 1.00 0.00 H new ATOM 0 HG13 ILE A 120 4.206 10.357 3.969 1.00 0.00 H new ATOM 0 HG21 ILE A 120 2.888 8.296 1.128 1.00 0.00 H new ATOM 0 HG22 ILE A 120 4.302 8.594 0.089 1.00 0.00 H new ATOM 0 HG23 ILE A 120 4.468 7.595 1.552 1.00 0.00 H new ATOM 0 HD11 ILE A 120 1.981 9.501 4.507 1.00 0.00 H new ATOM 0 HD12 ILE A 120 1.914 10.561 3.079 1.00 0.00 H new ATOM 0 HD13 ILE A 120 1.845 8.793 2.880 1.00 0.00 H new ATOM 1924 N LYS A 121 6.854 11.308 3.647 1.00 0.00 N ATOM 1925 CA LYS A 121 7.178 12.527 4.361 1.00 0.00 C ATOM 1926 C LYS A 121 8.460 13.138 3.822 1.00 0.00 C ATOM 1927 O LYS A 121 9.461 12.439 3.650 1.00 0.00 O ATOM 1928 CB LYS A 121 7.349 12.228 5.849 1.00 0.00 C ATOM 1929 CG LYS A 121 7.586 13.466 6.698 1.00 0.00 C ATOM 1930 CD LYS A 121 7.920 13.098 8.134 1.00 0.00 C ATOM 1931 CE LYS A 121 8.027 14.328 9.019 1.00 0.00 C ATOM 1932 NZ LYS A 121 6.759 15.103 9.048 1.00 0.00 N ATOM 0 H LYS A 121 7.255 10.464 4.055 1.00 0.00 H new ATOM 0 HA LYS A 121 6.361 13.235 4.220 1.00 0.00 H new ATOM 0 HB2 LYS A 121 6.459 11.714 6.212 1.00 0.00 H new ATOM 0 HB3 LYS A 121 8.187 11.543 5.979 1.00 0.00 H new ATOM 0 HG2 LYS A 121 8.401 14.051 6.272 1.00 0.00 H new ATOM 0 HG3 LYS A 121 6.697 14.097 6.680 1.00 0.00 H new ATOM 0 HD2 LYS A 121 7.152 12.433 8.527 1.00 0.00 H new ATOM 0 HD3 LYS A 121 8.861 12.548 8.159 1.00 0.00 H new ATOM 0 HE2 LYS A 121 8.290 14.024 10.032 1.00 0.00 H new ATOM 0 HE3 LYS A 121 8.834 14.966 8.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 6.521 15.342 10.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 6.874 15.978 8.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 5.994 14.532 8.635 1.00 0.00 H new