USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 773 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 44 ASN : amide:sc= 0 X(o=0.14,f=0.14) USER MOD Set 1.2: A 47 GLN : amide:sc= -0.113 X(o=0.14,f=-0.057) USER MOD Set 1.3: A 49 CYS SG : rot 59:sc= 0.257 USER MOD Set 2.1: A 33 SER OG : rot 65:sc= -0.251 USER MOD Set 2.2: A 73 HIS : no HE2:sc= -1.63 K(o=-1.9,f=-2.5) USER MOD Set 3.1: A 20 THR OG1 : rot 180:sc= -0.195 USER MOD Set 3.2: A 29 HIS : no HD1:sc= 0 X(o=-0.2,f=-0.14) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN :FLIP amide:sc= -1.8! C(o=-3.8!,f=-1.8!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 13:sc= -0.924! USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 158:sc= -0.234 USER MOD Single : A 35 SER OG : rot -146:sc= -4.8! USER MOD Single : A 39 LYS NZ :NH3+ -127:sc=-0.00246 (180deg=-1.31!) USER MOD Single : A 45 LYS NZ :NH3+ -147:sc= -4.29! (180deg=-6.88!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.414 X(o=-0.41,f=-0.04) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.117 K(o=-0.12,f=-1.6!) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -3.44 K(o=-3.4,f=-8!) USER MOD Single : A 76 SER OG : rot -144:sc= 0.736 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= -0.214 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.394 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= -2.49! USER MOD ----------------------------------------------------------------- ATOM 62 N GLU A 5 5.000 -7.269 -3.557 1.00 0.00 N ATOM 63 CA GLU A 5 4.999 -5.965 -4.209 1.00 0.00 C ATOM 64 C GLU A 5 3.577 -5.461 -4.395 1.00 0.00 C ATOM 65 O GLU A 5 3.208 -4.396 -3.901 1.00 0.00 O ATOM 66 CB GLU A 5 5.712 -6.049 -5.561 1.00 0.00 C ATOM 67 CG GLU A 5 6.997 -5.239 -5.623 1.00 0.00 C ATOM 68 CD GLU A 5 7.426 -4.936 -7.045 1.00 0.00 C ATOM 69 OE1 GLU A 5 7.464 -5.875 -7.867 1.00 0.00 O ATOM 70 OE2 GLU A 5 7.725 -3.759 -7.337 1.00 0.00 O ATOM 0 HA GLU A 5 5.534 -5.260 -3.572 1.00 0.00 H new ATOM 0 HB2 GLU A 5 5.939 -7.093 -5.778 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.035 -5.701 -6.341 1.00 0.00 H new ATOM 0 HG2 GLU A 5 6.859 -4.303 -5.082 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.792 -5.786 -5.116 1.00 0.00 H new ATOM 77 N SER A 6 2.788 -6.245 -5.107 1.00 0.00 N ATOM 78 CA SER A 6 1.395 -5.905 -5.371 1.00 0.00 C ATOM 79 C SER A 6 0.488 -6.486 -4.293 1.00 0.00 C ATOM 80 O SER A 6 0.929 -7.287 -3.467 1.00 0.00 O ATOM 81 CB SER A 6 0.970 -6.423 -6.746 1.00 0.00 C ATOM 82 OG SER A 6 1.242 -5.469 -7.758 1.00 0.00 O ATOM 0 H SER A 6 3.088 -7.129 -5.517 1.00 0.00 H new ATOM 0 HA SER A 6 1.301 -4.819 -5.359 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.496 -7.352 -6.967 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.095 -6.655 -6.737 1.00 0.00 H new ATOM 0 HG SER A 6 0.962 -5.825 -8.627 1.00 0.00 H new ATOM 88 N ILE A 7 -0.778 -6.084 -4.301 1.00 0.00 N ATOM 89 CA ILE A 7 -1.732 -6.575 -3.317 1.00 0.00 C ATOM 90 C ILE A 7 -3.072 -6.909 -3.969 1.00 0.00 C ATOM 91 O ILE A 7 -3.995 -6.097 -3.975 1.00 0.00 O ATOM 92 CB ILE A 7 -1.941 -5.553 -2.175 1.00 0.00 C ATOM 93 CG1 ILE A 7 -2.970 -6.069 -1.164 1.00 0.00 C ATOM 94 CG2 ILE A 7 -2.362 -4.200 -2.730 1.00 0.00 C ATOM 95 CD1 ILE A 7 -2.431 -7.150 -0.253 1.00 0.00 C ATOM 0 H ILE A 7 -1.165 -5.423 -4.975 1.00 0.00 H new ATOM 0 HA ILE A 7 -1.314 -7.487 -2.891 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.990 -5.426 -1.657 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.321 -5.235 -0.557 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -3.834 -6.457 -1.703 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -2.503 -3.498 -1.908 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.588 -3.825 -3.399 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -3.297 -4.307 -3.280 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.213 -7.468 0.436 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -2.106 -8.001 -0.851 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.585 -6.760 0.313 1.00 0.00 H new ATOM 107 N ARG A 8 -3.169 -8.117 -4.515 1.00 0.00 N ATOM 108 CA ARG A 8 -4.394 -8.563 -5.167 1.00 0.00 C ATOM 109 C ARG A 8 -5.438 -8.971 -4.133 1.00 0.00 C ATOM 110 O ARG A 8 -5.617 -10.156 -3.852 1.00 0.00 O ATOM 111 CB ARG A 8 -4.099 -9.738 -6.103 1.00 0.00 C ATOM 112 CG ARG A 8 -5.336 -10.302 -6.786 1.00 0.00 C ATOM 113 CD ARG A 8 -4.975 -11.384 -7.792 1.00 0.00 C ATOM 114 NE ARG A 8 -5.171 -10.937 -9.170 1.00 0.00 N ATOM 115 CZ ARG A 8 -6.007 -11.513 -10.035 1.00 0.00 C ATOM 116 NH1 ARG A 8 -6.738 -12.562 -9.677 1.00 0.00 N ATOM 117 NH2 ARG A 8 -6.113 -11.033 -11.267 1.00 0.00 N ATOM 0 H ARG A 8 -2.415 -8.804 -4.519 1.00 0.00 H new ATOM 0 HA ARG A 8 -4.791 -7.733 -5.752 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -3.390 -9.415 -6.865 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -3.615 -10.532 -5.534 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -6.011 -10.713 -6.036 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.872 -9.498 -7.291 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -3.935 -11.678 -7.651 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -5.584 -12.269 -7.608 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.633 -10.132 -9.491 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -6.664 -12.936 -8.731 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -7.374 -12.993 -10.348 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -5.556 -10.226 -11.550 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -6.751 -11.471 -11.932 1.00 0.00 H new ATOM 131 N PHE A 9 -6.128 -7.983 -3.571 1.00 0.00 N ATOM 132 CA PHE A 9 -7.155 -8.248 -2.571 1.00 0.00 C ATOM 133 C PHE A 9 -8.492 -8.548 -3.242 1.00 0.00 C ATOM 134 O PHE A 9 -9.228 -7.639 -3.621 1.00 0.00 O ATOM 135 CB PHE A 9 -7.295 -7.063 -1.608 1.00 0.00 C ATOM 136 CG PHE A 9 -7.415 -5.728 -2.289 1.00 0.00 C ATOM 137 CD1 PHE A 9 -6.285 -4.981 -2.584 1.00 0.00 C ATOM 138 CD2 PHE A 9 -8.657 -5.216 -2.629 1.00 0.00 C ATOM 139 CE1 PHE A 9 -6.391 -3.752 -3.205 1.00 0.00 C ATOM 140 CE2 PHE A 9 -8.770 -3.987 -3.251 1.00 0.00 C ATOM 141 CZ PHE A 9 -7.636 -3.254 -3.539 1.00 0.00 C ATOM 0 H PHE A 9 -5.995 -6.996 -3.790 1.00 0.00 H new ATOM 0 HA PHE A 9 -6.851 -9.123 -1.996 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -8.173 -7.220 -0.982 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -6.430 -7.044 -0.945 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.309 -5.365 -2.325 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -9.548 -5.784 -2.405 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.502 -3.181 -3.429 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -9.744 -3.600 -3.511 1.00 0.00 H new ATOM 0 HZ PHE A 9 -7.722 -2.293 -4.024 1.00 0.00 H new ATOM 151 N GLY A 10 -8.794 -9.833 -3.392 1.00 0.00 N ATOM 152 CA GLY A 10 -10.038 -10.230 -4.023 1.00 0.00 C ATOM 153 C GLY A 10 -10.050 -9.930 -5.510 1.00 0.00 C ATOM 154 O GLY A 10 -9.002 -9.941 -6.156 1.00 0.00 O ATOM 0 H GLY A 10 -8.201 -10.605 -3.088 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -10.197 -11.297 -3.869 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.868 -9.711 -3.543 1.00 0.00 H new ATOM 158 N PRO A 11 -11.232 -9.654 -6.088 1.00 0.00 N ATOM 159 CA PRO A 11 -11.362 -9.350 -7.518 1.00 0.00 C ATOM 160 C PRO A 11 -10.600 -8.088 -7.920 1.00 0.00 C ATOM 161 O PRO A 11 -10.370 -7.845 -9.104 1.00 0.00 O ATOM 162 CB PRO A 11 -12.871 -9.143 -7.712 1.00 0.00 C ATOM 163 CG PRO A 11 -13.510 -9.777 -6.524 1.00 0.00 C ATOM 164 CD PRO A 11 -12.530 -9.619 -5.398 1.00 0.00 C ATOM 0 HA PRO A 11 -10.945 -10.145 -8.135 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -13.118 -8.083 -7.773 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -13.216 -9.604 -8.637 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -14.459 -9.295 -6.287 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -13.725 -10.829 -6.711 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.678 -8.682 -4.862 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -12.621 -10.422 -4.667 1.00 0.00 H new ATOM 172 N ASN A 12 -10.217 -7.285 -6.931 1.00 0.00 N ATOM 173 CA ASN A 12 -9.488 -6.048 -7.189 1.00 0.00 C ATOM 174 C ASN A 12 -7.980 -6.267 -7.108 1.00 0.00 C ATOM 175 O ASN A 12 -7.457 -6.684 -6.074 1.00 0.00 O ATOM 176 CB ASN A 12 -9.911 -4.969 -6.191 1.00 0.00 C ATOM 177 CG ASN A 12 -11.306 -4.442 -6.465 1.00 0.00 C ATOM 178 OD1 ASN A 12 -11.394 -3.388 -7.268 1.00 0.00 O flip ATOM 179 ND2 ASN A 12 -12.294 -4.976 -5.961 1.00 0.00 N flip ATOM 0 H ASN A 12 -10.399 -7.469 -5.944 1.00 0.00 H new ATOM 0 HA ASN A 12 -9.731 -5.720 -8.200 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -9.872 -5.377 -5.181 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -9.200 -4.144 -6.229 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -12.181 -5.784 -5.349 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -13.226 -4.610 -6.155 1.00 0.00 H new ATOM 186 N VAL A 13 -7.287 -5.973 -8.204 1.00 0.00 N ATOM 187 CA VAL A 13 -5.837 -6.126 -8.261 1.00 0.00 C ATOM 188 C VAL A 13 -5.152 -4.765 -8.202 1.00 0.00 C ATOM 189 O VAL A 13 -5.411 -3.898 -9.036 1.00 0.00 O ATOM 190 CB VAL A 13 -5.393 -6.854 -9.546 1.00 0.00 C ATOM 191 CG1 VAL A 13 -3.949 -7.315 -9.428 1.00 0.00 C ATOM 192 CG2 VAL A 13 -6.313 -8.029 -9.846 1.00 0.00 C ATOM 0 H VAL A 13 -7.707 -5.627 -9.066 1.00 0.00 H new ATOM 0 HA VAL A 13 -5.544 -6.725 -7.399 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.460 -6.152 -10.377 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.654 -7.826 -10.344 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.303 -6.451 -9.271 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.853 -7.998 -8.584 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.981 -8.528 -10.757 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.285 -8.734 -9.015 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -7.332 -7.668 -9.981 1.00 0.00 H new ATOM 202 N PHE A 14 -4.283 -4.577 -7.214 1.00 0.00 N ATOM 203 CA PHE A 14 -3.576 -3.311 -7.058 1.00 0.00 C ATOM 204 C PHE A 14 -2.163 -3.396 -7.620 1.00 0.00 C ATOM 205 O PHE A 14 -1.497 -4.425 -7.507 1.00 0.00 O ATOM 206 CB PHE A 14 -3.525 -2.908 -5.585 1.00 0.00 C ATOM 207 CG PHE A 14 -3.059 -1.497 -5.365 1.00 0.00 C ATOM 208 CD1 PHE A 14 -1.729 -1.156 -5.550 1.00 0.00 C ATOM 209 CD2 PHE A 14 -3.951 -0.511 -4.975 1.00 0.00 C ATOM 210 CE1 PHE A 14 -1.297 0.141 -5.350 1.00 0.00 C ATOM 211 CE2 PHE A 14 -3.525 0.788 -4.773 1.00 0.00 C ATOM 212 CZ PHE A 14 -2.196 1.115 -4.961 1.00 0.00 C ATOM 0 H PHE A 14 -4.052 -5.281 -6.513 1.00 0.00 H new ATOM 0 HA PHE A 14 -4.123 -2.553 -7.618 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -4.517 -3.026 -5.150 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -2.860 -3.589 -5.053 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.021 -1.913 -5.854 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -4.991 -0.761 -4.827 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -0.257 0.393 -5.498 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -4.230 1.547 -4.468 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.861 2.130 -4.804 1.00 0.00 H new ATOM 222 N TYR A 15 -1.710 -2.302 -8.223 1.00 0.00 N ATOM 223 CA TYR A 15 -0.374 -2.243 -8.802 1.00 0.00 C ATOM 224 C TYR A 15 0.475 -1.195 -8.093 1.00 0.00 C ATOM 225 O TYR A 15 0.316 0.005 -8.317 1.00 0.00 O ATOM 226 CB TYR A 15 -0.457 -1.924 -10.295 1.00 0.00 C ATOM 227 CG TYR A 15 -0.958 -3.076 -11.136 1.00 0.00 C ATOM 228 CD1 TYR A 15 -0.188 -4.219 -11.314 1.00 0.00 C ATOM 229 CD2 TYR A 15 -2.201 -3.020 -11.752 1.00 0.00 C ATOM 230 CE1 TYR A 15 -0.643 -5.273 -12.083 1.00 0.00 C ATOM 231 CE2 TYR A 15 -2.664 -4.070 -12.522 1.00 0.00 C ATOM 232 CZ TYR A 15 -1.881 -5.194 -12.685 1.00 0.00 C ATOM 233 OH TYR A 15 -2.338 -6.241 -13.452 1.00 0.00 O ATOM 0 H TYR A 15 -2.250 -1.443 -8.323 1.00 0.00 H new ATOM 0 HA TYR A 15 0.097 -3.217 -8.672 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.116 -1.068 -10.438 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.531 -1.629 -10.650 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.782 -4.285 -10.844 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -2.816 -2.141 -11.627 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.032 -6.154 -12.212 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -3.634 -4.011 -12.994 1.00 0.00 H new ATOM 0 HH TYR A 15 -3.227 -6.026 -13.803 1.00 0.00 H new ATOM 243 N VAL A 16 1.375 -1.657 -7.233 1.00 0.00 N ATOM 244 CA VAL A 16 2.251 -0.762 -6.483 1.00 0.00 C ATOM 245 C VAL A 16 3.164 0.042 -7.408 1.00 0.00 C ATOM 246 O VAL A 16 3.759 1.035 -6.989 1.00 0.00 O ATOM 247 CB VAL A 16 3.122 -1.535 -5.472 1.00 0.00 C ATOM 248 CG1 VAL A 16 2.341 -1.813 -4.197 1.00 0.00 C ATOM 249 CG2 VAL A 16 3.640 -2.831 -6.081 1.00 0.00 C ATOM 0 H VAL A 16 1.518 -2.648 -7.037 1.00 0.00 H new ATOM 0 HA VAL A 16 1.597 -0.077 -5.943 1.00 0.00 H new ATOM 0 HB VAL A 16 3.982 -0.915 -5.219 1.00 0.00 H new ATOM 0 HG11 VAL A 16 2.972 -2.359 -3.496 1.00 0.00 H new ATOM 0 HG12 VAL A 16 2.031 -0.870 -3.747 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.460 -2.410 -4.433 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.252 -3.358 -5.349 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.798 -3.459 -6.370 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.242 -2.604 -6.961 1.00 0.00 H new ATOM 259 N LEU A 17 3.279 -0.389 -8.661 1.00 0.00 N ATOM 260 CA LEU A 17 4.130 0.299 -9.627 1.00 0.00 C ATOM 261 C LEU A 17 3.306 1.142 -10.597 1.00 0.00 C ATOM 262 O LEU A 17 3.786 2.151 -11.115 1.00 0.00 O ATOM 263 CB LEU A 17 4.970 -0.714 -10.407 1.00 0.00 C ATOM 264 CG LEU A 17 6.093 -1.376 -9.608 1.00 0.00 C ATOM 265 CD1 LEU A 17 6.341 -2.790 -10.110 1.00 0.00 C ATOM 266 CD2 LEU A 17 7.366 -0.547 -9.693 1.00 0.00 C ATOM 0 H LEU A 17 2.796 -1.208 -9.030 1.00 0.00 H new ATOM 0 HA LEU A 17 4.789 0.967 -9.072 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.310 -1.492 -10.790 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.406 -0.213 -11.271 1.00 0.00 H new ATOM 0 HG LEU A 17 5.788 -1.431 -8.563 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.143 -3.246 -9.530 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.432 -3.380 -9.998 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.626 -2.758 -11.162 1.00 0.00 H new ATOM 0 HD21 LEU A 17 8.155 -1.032 -9.119 1.00 0.00 H new ATOM 0 HD22 LEU A 17 7.675 -0.461 -10.735 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.181 0.447 -9.286 1.00 0.00 H new ATOM 278 N LYS A 18 2.070 0.723 -10.847 1.00 0.00 N ATOM 279 CA LYS A 18 1.195 1.446 -11.766 1.00 0.00 C ATOM 280 C LYS A 18 0.282 2.418 -11.022 1.00 0.00 C ATOM 281 O LYS A 18 -0.219 3.377 -11.609 1.00 0.00 O ATOM 282 CB LYS A 18 0.352 0.464 -12.583 1.00 0.00 C ATOM 283 CG LYS A 18 1.178 -0.558 -13.348 1.00 0.00 C ATOM 284 CD LYS A 18 0.375 -1.198 -14.471 1.00 0.00 C ATOM 285 CE LYS A 18 1.150 -1.204 -15.779 1.00 0.00 C ATOM 286 NZ LYS A 18 0.334 -1.737 -16.905 1.00 0.00 N ATOM 0 H LYS A 18 1.652 -0.109 -10.429 1.00 0.00 H new ATOM 0 HA LYS A 18 1.829 2.023 -12.439 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.330 -0.060 -11.914 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.261 1.024 -13.289 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.063 -0.075 -13.762 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.527 -1.331 -12.663 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.115 -2.220 -14.197 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.561 -0.656 -14.604 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.474 -0.190 -16.014 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.050 -1.808 -15.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.898 -1.725 -17.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.046 -2.713 -16.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.512 -1.146 -17.031 1.00 0.00 H new ATOM 300 N LEU A 19 0.065 2.168 -9.734 1.00 0.00 N ATOM 301 CA LEU A 19 -0.792 3.027 -8.927 1.00 0.00 C ATOM 302 C LEU A 19 -2.217 3.037 -9.471 1.00 0.00 C ATOM 303 O LEU A 19 -2.838 4.092 -9.601 1.00 0.00 O ATOM 304 CB LEU A 19 -0.233 4.455 -8.890 1.00 0.00 C ATOM 305 CG LEU A 19 1.110 4.628 -8.168 1.00 0.00 C ATOM 306 CD1 LEU A 19 1.286 3.591 -7.067 1.00 0.00 C ATOM 307 CD2 LEU A 19 2.261 4.552 -9.158 1.00 0.00 C ATOM 0 H LEU A 19 0.470 1.380 -9.229 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.813 2.629 -7.913 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.121 4.808 -9.915 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.968 5.100 -8.409 1.00 0.00 H new ATOM 0 HG LEU A 19 1.113 5.614 -7.702 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.247 3.742 -6.576 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.484 3.697 -6.336 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.253 2.591 -7.500 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.205 4.677 -8.628 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.249 3.582 -9.656 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.155 5.342 -9.901 1.00 0.00 H new ATOM 319 N THR A 20 -2.732 1.852 -9.786 1.00 0.00 N ATOM 320 CA THR A 20 -4.084 1.723 -10.314 1.00 0.00 C ATOM 321 C THR A 20 -4.649 0.337 -10.020 1.00 0.00 C ATOM 322 O THR A 20 -4.062 -0.675 -10.402 1.00 0.00 O ATOM 323 CB THR A 20 -4.093 1.982 -11.821 1.00 0.00 C ATOM 324 OG1 THR A 20 -3.558 3.261 -12.112 1.00 0.00 O ATOM 325 CG2 THR A 20 -5.475 1.912 -12.433 1.00 0.00 C ATOM 0 H THR A 20 -2.233 0.968 -9.684 1.00 0.00 H new ATOM 0 HA THR A 20 -4.713 2.465 -9.823 1.00 0.00 H new ATOM 0 HB THR A 20 -3.482 1.190 -12.254 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.571 3.408 -13.081 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.409 2.105 -13.504 1.00 0.00 H new ATOM 0 HG22 THR A 20 -5.896 0.920 -12.269 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.117 2.660 -11.968 1.00 0.00 H new ATOM 333 N VAL A 21 -5.790 0.296 -9.337 1.00 0.00 N ATOM 334 CA VAL A 21 -6.424 -0.973 -8.995 1.00 0.00 C ATOM 335 C VAL A 21 -7.403 -1.410 -10.079 1.00 0.00 C ATOM 336 O VAL A 21 -8.293 -0.655 -10.469 1.00 0.00 O ATOM 337 CB VAL A 21 -7.164 -0.919 -7.638 1.00 0.00 C ATOM 338 CG1 VAL A 21 -6.992 -2.232 -6.889 1.00 0.00 C ATOM 339 CG2 VAL A 21 -6.675 0.248 -6.789 1.00 0.00 C ATOM 0 H VAL A 21 -6.292 1.122 -9.011 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.616 -1.700 -8.915 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.224 -0.765 -7.838 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.518 -2.179 -5.936 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.402 -3.047 -7.485 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.932 -2.412 -6.709 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -7.214 0.260 -5.842 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.608 0.137 -6.598 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.853 1.184 -7.319 1.00 0.00 H new ATOM 349 N GLU A 22 -7.231 -2.636 -10.562 1.00 0.00 N ATOM 350 CA GLU A 22 -8.098 -3.177 -11.602 1.00 0.00 C ATOM 351 C GLU A 22 -9.474 -3.517 -11.040 1.00 0.00 C ATOM 352 O GLU A 22 -9.701 -4.625 -10.555 1.00 0.00 O ATOM 353 CB GLU A 22 -7.466 -4.423 -12.224 1.00 0.00 C ATOM 354 CG GLU A 22 -6.117 -4.161 -12.872 1.00 0.00 C ATOM 355 CD GLU A 22 -6.241 -3.702 -14.311 1.00 0.00 C ATOM 356 OE1 GLU A 22 -6.662 -2.547 -14.532 1.00 0.00 O ATOM 357 OE2 GLU A 22 -5.917 -4.497 -15.218 1.00 0.00 O ATOM 0 H GLU A 22 -6.499 -3.274 -10.250 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.218 -2.416 -12.373 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.348 -5.184 -11.453 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.146 -4.830 -12.972 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.583 -3.404 -12.298 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.518 -5.071 -12.835 1.00 0.00 H new ATOM 364 N THR A 23 -10.389 -2.556 -11.108 1.00 0.00 N ATOM 365 CA THR A 23 -11.742 -2.753 -10.606 1.00 0.00 C ATOM 366 C THR A 23 -12.618 -3.432 -11.655 1.00 0.00 C ATOM 367 O THR A 23 -12.330 -3.372 -12.851 1.00 0.00 O ATOM 368 CB THR A 23 -12.357 -1.413 -10.199 1.00 0.00 C ATOM 369 OG1 THR A 23 -12.229 -0.465 -11.243 1.00 0.00 O ATOM 370 CG2 THR A 23 -11.727 -0.817 -8.958 1.00 0.00 C ATOM 0 H THR A 23 -10.217 -1.633 -11.506 1.00 0.00 H new ATOM 0 HA THR A 23 -11.688 -3.400 -9.731 1.00 0.00 H new ATOM 0 HB THR A 23 -13.404 -1.629 -9.987 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.965 -0.922 -12.069 1.00 0.00 H new ATOM 0 HG21 THR A 23 -12.210 0.132 -8.725 1.00 0.00 H new ATOM 0 HG22 THR A 23 -11.853 -1.503 -8.121 1.00 0.00 H new ATOM 0 HG23 THR A 23 -10.664 -0.650 -9.134 1.00 0.00 H new ATOM 378 N PRO A 24 -13.704 -4.091 -11.219 1.00 0.00 N ATOM 379 CA PRO A 24 -14.624 -4.783 -12.121 1.00 0.00 C ATOM 380 C PRO A 24 -15.549 -3.820 -12.858 1.00 0.00 C ATOM 381 O PRO A 24 -16.031 -4.121 -13.950 1.00 0.00 O ATOM 382 CB PRO A 24 -15.421 -5.679 -11.176 1.00 0.00 C ATOM 383 CG PRO A 24 -15.426 -4.953 -9.879 1.00 0.00 C ATOM 384 CD PRO A 24 -14.120 -4.212 -9.809 1.00 0.00 C ATOM 0 HA PRO A 24 -14.101 -5.325 -12.909 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.435 -5.839 -11.544 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -14.958 -6.661 -11.078 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -16.268 -4.264 -9.822 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -15.525 -5.647 -9.045 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -14.240 -3.234 -9.343 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -13.382 -4.757 -9.220 1.00 0.00 H new ATOM 392 N GLU A 25 -15.792 -2.661 -12.255 1.00 0.00 N ATOM 393 CA GLU A 25 -16.658 -1.654 -12.856 1.00 0.00 C ATOM 394 C GLU A 25 -15.837 -0.513 -13.447 1.00 0.00 C ATOM 395 O GLU A 25 -16.287 0.633 -13.488 1.00 0.00 O ATOM 396 CB GLU A 25 -17.638 -1.107 -11.816 1.00 0.00 C ATOM 397 CG GLU A 25 -19.003 -0.763 -12.389 1.00 0.00 C ATOM 398 CD GLU A 25 -19.961 -0.236 -11.338 1.00 0.00 C ATOM 399 OE1 GLU A 25 -19.837 -0.644 -10.164 1.00 0.00 O ATOM 400 OE2 GLU A 25 -20.835 0.584 -11.689 1.00 0.00 O ATOM 0 H GLU A 25 -15.401 -2.396 -11.351 1.00 0.00 H new ATOM 0 HA GLU A 25 -17.220 -2.128 -13.661 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -17.761 -1.844 -11.022 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -17.210 -0.215 -11.359 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -18.885 -0.017 -13.175 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -19.432 -1.651 -12.854 1.00 0.00 H new ATOM 407 N GLY A 26 -14.631 -0.833 -13.905 1.00 0.00 N ATOM 408 CA GLY A 26 -13.766 0.176 -14.488 1.00 0.00 C ATOM 409 C GLY A 26 -12.362 0.135 -13.918 1.00 0.00 C ATOM 410 O GLY A 26 -11.775 -0.938 -13.773 1.00 0.00 O ATOM 0 H GLY A 26 -14.237 -1.774 -13.883 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.721 0.032 -15.567 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -14.196 1.163 -14.316 1.00 0.00 H new ATOM 414 N SER A 27 -11.822 1.305 -13.593 1.00 0.00 N ATOM 415 CA SER A 27 -10.477 1.398 -13.035 1.00 0.00 C ATOM 416 C SER A 27 -10.420 2.445 -11.927 1.00 0.00 C ATOM 417 O SER A 27 -11.368 3.206 -11.730 1.00 0.00 O ATOM 418 CB SER A 27 -9.470 1.744 -14.133 1.00 0.00 C ATOM 419 OG SER A 27 -8.240 1.071 -13.927 1.00 0.00 O ATOM 0 H SER A 27 -12.295 2.202 -13.706 1.00 0.00 H new ATOM 0 HA SER A 27 -10.219 0.429 -12.608 1.00 0.00 H new ATOM 0 HB2 SER A 27 -9.879 1.471 -15.106 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.301 2.821 -14.150 1.00 0.00 H new ATOM 0 HG SER A 27 -7.614 1.307 -14.643 1.00 0.00 H new ATOM 425 N VAL A 28 -9.305 2.478 -11.205 1.00 0.00 N ATOM 426 CA VAL A 28 -9.128 3.430 -10.115 1.00 0.00 C ATOM 427 C VAL A 28 -7.714 4.000 -10.103 1.00 0.00 C ATOM 428 O VAL A 28 -6.748 3.281 -9.852 1.00 0.00 O ATOM 429 CB VAL A 28 -9.418 2.785 -8.744 1.00 0.00 C ATOM 430 CG1 VAL A 28 -10.887 2.918 -8.387 1.00 0.00 C ATOM 431 CG2 VAL A 28 -9.000 1.325 -8.733 1.00 0.00 C ATOM 0 H VAL A 28 -8.510 1.856 -11.355 1.00 0.00 H new ATOM 0 HA VAL A 28 -9.842 4.235 -10.287 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.831 3.314 -7.993 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -11.069 2.456 -7.416 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -11.157 3.973 -8.343 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -11.492 2.420 -9.145 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -9.215 0.892 -7.756 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -9.553 0.782 -9.499 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -7.932 1.251 -8.936 1.00 0.00 H new ATOM 441 N HIS A 29 -7.600 5.296 -10.375 1.00 0.00 N ATOM 442 CA HIS A 29 -6.303 5.962 -10.393 1.00 0.00 C ATOM 443 C HIS A 29 -6.097 6.783 -9.123 1.00 0.00 C ATOM 444 O HIS A 29 -7.059 7.164 -8.457 1.00 0.00 O ATOM 445 CB HIS A 29 -6.186 6.865 -11.622 1.00 0.00 C ATOM 446 CG HIS A 29 -6.141 6.112 -12.915 1.00 0.00 C ATOM 447 ND1 HIS A 29 -7.266 5.608 -13.533 1.00 0.00 N ATOM 448 CD2 HIS A 29 -5.097 5.779 -13.711 1.00 0.00 C ATOM 449 CE1 HIS A 29 -6.917 4.996 -14.650 1.00 0.00 C ATOM 450 NE2 HIS A 29 -5.606 5.086 -14.781 1.00 0.00 N ATOM 0 H HIS A 29 -8.390 5.906 -10.586 1.00 0.00 H new ATOM 0 HA HIS A 29 -5.529 5.196 -10.440 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -7.032 7.552 -11.640 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -5.285 7.472 -11.533 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -4.058 6.015 -13.536 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -7.589 4.506 -15.339 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -5.060 4.703 -15.553 1.00 0.00 H new ATOM 459 N LEU A 30 -4.837 7.051 -8.794 1.00 0.00 N ATOM 460 CA LEU A 30 -4.507 7.827 -7.603 1.00 0.00 C ATOM 461 C LEU A 30 -3.077 8.360 -7.677 1.00 0.00 C ATOM 462 O LEU A 30 -2.305 7.973 -8.554 1.00 0.00 O ATOM 463 CB LEU A 30 -4.693 6.970 -6.344 1.00 0.00 C ATOM 464 CG LEU A 30 -3.492 6.103 -5.955 1.00 0.00 C ATOM 465 CD1 LEU A 30 -3.826 5.220 -4.763 1.00 0.00 C ATOM 466 CD2 LEU A 30 -3.044 5.253 -7.131 1.00 0.00 C ATOM 0 H LEU A 30 -4.029 6.743 -9.334 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.184 8.680 -7.552 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.929 7.629 -5.508 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.556 6.320 -6.492 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.674 6.766 -5.673 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.958 4.613 -4.505 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.098 5.845 -3.912 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.662 4.568 -5.016 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.190 4.644 -6.835 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.862 4.604 -7.443 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.758 5.900 -7.960 1.00 0.00 H new ATOM 478 N THR A 31 -2.731 9.248 -6.750 1.00 0.00 N ATOM 479 CA THR A 31 -1.393 9.828 -6.712 1.00 0.00 C ATOM 480 C THR A 31 -0.378 8.807 -6.204 1.00 0.00 C ATOM 481 O THR A 31 -0.668 8.039 -5.288 1.00 0.00 O ATOM 482 CB THR A 31 -1.377 11.071 -5.820 1.00 0.00 C ATOM 483 OG1 THR A 31 -2.003 10.805 -4.577 1.00 0.00 O ATOM 484 CG2 THR A 31 -2.076 12.262 -6.440 1.00 0.00 C ATOM 0 H THR A 31 -3.357 9.581 -6.017 1.00 0.00 H new ATOM 0 HA THR A 31 -1.117 10.117 -7.726 1.00 0.00 H new ATOM 0 HB THR A 31 -0.323 11.317 -5.687 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.689 11.449 -3.908 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.028 13.109 -5.756 1.00 0.00 H new ATOM 0 HG22 THR A 31 -1.585 12.525 -7.377 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.119 12.011 -6.634 1.00 0.00 H new ATOM 492 N PRO A 32 0.829 8.778 -6.798 1.00 0.00 N ATOM 493 CA PRO A 32 1.876 7.835 -6.401 1.00 0.00 C ATOM 494 C PRO A 32 2.564 8.223 -5.099 1.00 0.00 C ATOM 495 O PRO A 32 3.202 7.391 -4.454 1.00 0.00 O ATOM 496 CB PRO A 32 2.859 7.896 -7.568 1.00 0.00 C ATOM 497 CG PRO A 32 2.707 9.275 -8.113 1.00 0.00 C ATOM 498 CD PRO A 32 1.263 9.651 -7.906 1.00 0.00 C ATOM 0 HA PRO A 32 1.473 6.840 -6.210 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.881 7.711 -7.236 1.00 0.00 H new ATOM 0 HB3 PRO A 32 2.627 7.144 -8.322 1.00 0.00 H new ATOM 0 HG2 PRO A 32 3.368 9.972 -7.599 1.00 0.00 H new ATOM 0 HG3 PRO A 32 2.970 9.307 -9.170 1.00 0.00 H new ATOM 0 HD2 PRO A 32 1.157 10.705 -7.650 1.00 0.00 H new ATOM 0 HD3 PRO A 32 0.672 9.480 -8.806 1.00 0.00 H new ATOM 506 N SER A 33 2.430 9.483 -4.714 1.00 0.00 N ATOM 507 CA SER A 33 3.041 9.963 -3.481 1.00 0.00 C ATOM 508 C SER A 33 2.236 9.508 -2.279 1.00 0.00 C ATOM 509 O SER A 33 2.792 9.089 -1.266 1.00 0.00 O ATOM 510 CB SER A 33 3.162 11.487 -3.495 1.00 0.00 C ATOM 511 OG SER A 33 1.885 12.101 -3.503 1.00 0.00 O ATOM 0 H SER A 33 1.907 10.189 -5.233 1.00 0.00 H new ATOM 0 HA SER A 33 4.043 9.540 -3.409 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.723 11.818 -2.621 1.00 0.00 H new ATOM 0 HB3 SER A 33 3.726 11.802 -4.373 1.00 0.00 H new ATOM 0 HG SER A 33 1.422 11.904 -2.662 1.00 0.00 H new ATOM 517 N GLU A 34 0.923 9.572 -2.410 1.00 0.00 N ATOM 518 CA GLU A 34 0.036 9.143 -1.340 1.00 0.00 C ATOM 519 C GLU A 34 -0.110 7.638 -1.375 1.00 0.00 C ATOM 520 O GLU A 34 -0.161 6.980 -0.337 1.00 0.00 O ATOM 521 CB GLU A 34 -1.331 9.820 -1.457 1.00 0.00 C ATOM 522 CG GLU A 34 -1.389 11.192 -0.805 1.00 0.00 C ATOM 523 CD GLU A 34 -1.091 12.315 -1.780 1.00 0.00 C ATOM 524 OE1 GLU A 34 -0.519 12.033 -2.854 1.00 0.00 O ATOM 525 OE2 GLU A 34 -1.431 13.476 -1.470 1.00 0.00 O ATOM 0 H GLU A 34 0.447 9.916 -3.244 1.00 0.00 H new ATOM 0 HA GLU A 34 0.471 9.438 -0.385 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -1.590 9.917 -2.511 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.085 9.178 -1.001 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.379 11.344 -0.374 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.674 11.230 0.017 1.00 0.00 H new ATOM 532 N SER A 35 -0.133 7.095 -2.580 1.00 0.00 N ATOM 533 CA SER A 35 -0.222 5.659 -2.751 1.00 0.00 C ATOM 534 C SER A 35 1.142 5.042 -2.466 1.00 0.00 C ATOM 535 O SER A 35 1.255 3.844 -2.207 1.00 0.00 O ATOM 536 CB SER A 35 -0.694 5.309 -4.163 1.00 0.00 C ATOM 537 OG SER A 35 0.400 5.181 -5.054 1.00 0.00 O ATOM 0 H SER A 35 -0.091 7.626 -3.450 1.00 0.00 H new ATOM 0 HA SER A 35 -0.954 5.255 -2.052 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.258 4.376 -4.140 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.372 6.082 -4.524 1.00 0.00 H new ATOM 0 HG SER A 35 0.135 5.492 -5.945 1.00 0.00 H new ATOM 543 N GLY A 36 2.176 5.886 -2.492 1.00 0.00 N ATOM 544 CA GLY A 36 3.515 5.425 -2.210 1.00 0.00 C ATOM 545 C GLY A 36 3.680 5.072 -0.751 1.00 0.00 C ATOM 546 O GLY A 36 4.489 4.215 -0.396 1.00 0.00 O ATOM 0 H GLY A 36 2.102 6.881 -2.705 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.738 4.553 -2.824 1.00 0.00 H new ATOM 0 HA3 GLY A 36 4.233 6.199 -2.482 1.00 0.00 H new ATOM 550 N ILE A 37 2.894 5.728 0.099 1.00 0.00 N ATOM 551 CA ILE A 37 2.947 5.465 1.533 1.00 0.00 C ATOM 552 C ILE A 37 2.429 4.070 1.827 1.00 0.00 C ATOM 553 O ILE A 37 3.007 3.332 2.624 1.00 0.00 O ATOM 554 CB ILE A 37 2.128 6.487 2.356 1.00 0.00 C ATOM 555 CG1 ILE A 37 2.139 7.872 1.696 1.00 0.00 C ATOM 556 CG2 ILE A 37 2.667 6.571 3.777 1.00 0.00 C ATOM 557 CD1 ILE A 37 3.527 8.399 1.410 1.00 0.00 C ATOM 0 H ILE A 37 2.218 6.440 -0.178 1.00 0.00 H new ATOM 0 HA ILE A 37 3.992 5.556 1.829 1.00 0.00 H new ATOM 0 HB ILE A 37 1.095 6.142 2.389 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.579 7.824 0.762 1.00 0.00 H new ATOM 0 HG13 ILE A 37 1.619 8.577 2.344 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.082 7.294 4.346 1.00 0.00 H new ATOM 0 HG22 ILE A 37 2.596 5.592 4.252 1.00 0.00 H new ATOM 0 HG23 ILE A 37 3.710 6.887 3.752 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.454 9.382 0.944 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.085 8.480 2.343 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.044 7.715 0.737 1.00 0.00 H new ATOM 569 N LEU A 38 1.347 3.710 1.158 1.00 0.00 N ATOM 570 CA LEU A 38 0.757 2.391 1.325 1.00 0.00 C ATOM 571 C LEU A 38 1.698 1.333 0.767 1.00 0.00 C ATOM 572 O LEU A 38 1.722 0.193 1.230 1.00 0.00 O ATOM 573 CB LEU A 38 -0.611 2.316 0.631 1.00 0.00 C ATOM 574 CG LEU A 38 -0.588 1.842 -0.827 1.00 0.00 C ATOM 575 CD1 LEU A 38 -0.806 0.338 -0.900 1.00 0.00 C ATOM 576 CD2 LEU A 38 -1.638 2.577 -1.649 1.00 0.00 C ATOM 0 H LEU A 38 0.859 4.311 0.494 1.00 0.00 H new ATOM 0 HA LEU A 38 0.605 2.206 2.388 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.252 1.645 1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.071 3.304 0.666 1.00 0.00 H new ATOM 0 HG LEU A 38 0.392 2.069 -1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.787 0.018 -1.942 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.015 -0.171 -0.349 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.772 0.089 -0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.604 2.225 -2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.627 2.385 -1.232 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.436 3.648 -1.624 1.00 0.00 H new ATOM 588 N LYS A 39 2.479 1.733 -0.230 1.00 0.00 N ATOM 589 CA LYS A 39 3.437 0.840 -0.860 1.00 0.00 C ATOM 590 C LYS A 39 4.479 0.386 0.146 1.00 0.00 C ATOM 591 O LYS A 39 4.944 -0.753 0.106 1.00 0.00 O ATOM 592 CB LYS A 39 4.115 1.532 -2.044 1.00 0.00 C ATOM 593 CG LYS A 39 4.559 0.573 -3.136 1.00 0.00 C ATOM 594 CD LYS A 39 5.905 0.974 -3.719 1.00 0.00 C ATOM 595 CE LYS A 39 6.787 -0.238 -3.972 1.00 0.00 C ATOM 596 NZ LYS A 39 6.681 -0.719 -5.377 1.00 0.00 N ATOM 0 H LYS A 39 2.465 2.676 -0.619 1.00 0.00 H new ATOM 0 HA LYS A 39 2.901 -0.035 -1.227 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.427 2.262 -2.471 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.982 2.085 -1.683 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.624 -0.437 -2.730 1.00 0.00 H new ATOM 0 HG3 LYS A 39 3.811 0.551 -3.928 1.00 0.00 H new ATOM 0 HD2 LYS A 39 5.751 1.515 -4.653 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.410 1.656 -3.035 1.00 0.00 H new ATOM 0 HE2 LYS A 39 7.824 0.016 -3.753 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.504 -1.041 -3.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.452 -1.734 -5.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 5.930 -0.193 -5.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.586 -0.567 -5.865 1.00 0.00 H new ATOM 610 N ARG A 40 4.835 1.283 1.054 1.00 0.00 N ATOM 611 CA ARG A 40 5.819 0.972 2.082 1.00 0.00 C ATOM 612 C ARG A 40 5.194 0.125 3.178 1.00 0.00 C ATOM 613 O ARG A 40 5.849 -0.738 3.764 1.00 0.00 O ATOM 614 CB ARG A 40 6.405 2.257 2.669 1.00 0.00 C ATOM 615 CG ARG A 40 6.868 3.249 1.613 1.00 0.00 C ATOM 616 CD ARG A 40 8.385 3.333 1.547 1.00 0.00 C ATOM 617 NE ARG A 40 8.879 3.272 0.173 1.00 0.00 N ATOM 618 CZ ARG A 40 9.046 2.139 -0.506 1.00 0.00 C ATOM 619 NH1 ARG A 40 8.759 0.970 0.055 1.00 0.00 N ATOM 620 NH2 ARG A 40 9.502 2.174 -1.751 1.00 0.00 N ATOM 0 H ARG A 40 4.459 2.230 1.100 1.00 0.00 H new ATOM 0 HA ARG A 40 6.627 0.402 1.623 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.655 2.734 3.300 1.00 0.00 H new ATOM 0 HB3 ARG A 40 7.248 2.002 3.312 1.00 0.00 H new ATOM 0 HG2 ARG A 40 6.477 2.953 0.639 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.458 4.234 1.835 1.00 0.00 H new ATOM 0 HD2 ARG A 40 8.717 4.262 2.010 1.00 0.00 H new ATOM 0 HD3 ARG A 40 8.818 2.516 2.124 1.00 0.00 H new ATOM 0 HE ARG A 40 9.109 4.149 -0.293 1.00 0.00 H new ATOM 0 HH11 ARG A 40 8.408 0.936 1.012 1.00 0.00 H new ATOM 0 HH12 ARG A 40 8.889 0.106 -0.471 1.00 0.00 H new ATOM 0 HH21 ARG A 40 9.725 3.069 -2.188 1.00 0.00 H new ATOM 0 HH22 ARG A 40 9.630 1.306 -2.272 1.00 0.00 H new ATOM 634 N LEU A 41 3.918 0.360 3.431 1.00 0.00 N ATOM 635 CA LEU A 41 3.191 -0.398 4.437 1.00 0.00 C ATOM 636 C LEU A 41 2.795 -1.757 3.877 1.00 0.00 C ATOM 637 O LEU A 41 2.575 -2.710 4.625 1.00 0.00 O ATOM 638 CB LEU A 41 1.953 0.369 4.902 1.00 0.00 C ATOM 639 CG LEU A 41 2.236 1.527 5.866 1.00 0.00 C ATOM 640 CD1 LEU A 41 1.816 2.854 5.251 1.00 0.00 C ATOM 641 CD2 LEU A 41 1.527 1.304 7.194 1.00 0.00 C ATOM 0 H LEU A 41 3.363 1.070 2.954 1.00 0.00 H new ATOM 0 HA LEU A 41 3.841 -0.547 5.299 1.00 0.00 H new ATOM 0 HB2 LEU A 41 1.437 0.762 4.026 1.00 0.00 H new ATOM 0 HB3 LEU A 41 1.271 -0.330 5.387 1.00 0.00 H new ATOM 0 HG LEU A 41 3.309 1.562 6.052 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.026 3.662 5.952 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.373 3.020 4.329 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.749 2.832 5.032 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.740 2.136 7.865 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.452 1.239 7.026 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.880 0.376 7.644 1.00 0.00 H new ATOM 653 N LEU A 42 2.726 -1.842 2.552 1.00 0.00 N ATOM 654 CA LEU A 42 2.382 -3.087 1.887 1.00 0.00 C ATOM 655 C LEU A 42 3.533 -4.075 2.003 1.00 0.00 C ATOM 656 O LEU A 42 3.325 -5.288 2.019 1.00 0.00 O ATOM 657 CB LEU A 42 2.041 -2.838 0.414 1.00 0.00 C ATOM 658 CG LEU A 42 0.707 -3.425 -0.050 1.00 0.00 C ATOM 659 CD1 LEU A 42 0.726 -4.942 0.054 1.00 0.00 C ATOM 660 CD2 LEU A 42 -0.442 -2.848 0.764 1.00 0.00 C ATOM 0 H LEU A 42 2.904 -1.061 1.920 1.00 0.00 H new ATOM 0 HA LEU A 42 1.503 -3.509 2.374 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.029 -1.763 0.237 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.838 -3.254 -0.203 1.00 0.00 H new ATOM 0 HG LEU A 42 0.558 -3.154 -1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.231 -5.342 -0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.524 -5.340 -0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.899 -5.234 1.090 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.383 -3.277 0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.298 -3.087 1.818 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.469 -1.766 0.638 1.00 0.00 H new ATOM 672 N ILE A 43 4.748 -3.545 2.101 1.00 0.00 N ATOM 673 CA ILE A 43 5.929 -4.386 2.235 1.00 0.00 C ATOM 674 C ILE A 43 5.856 -5.197 3.522 1.00 0.00 C ATOM 675 O ILE A 43 6.365 -6.315 3.594 1.00 0.00 O ATOM 676 CB ILE A 43 7.229 -3.559 2.235 1.00 0.00 C ATOM 677 CG1 ILE A 43 7.218 -2.535 1.097 1.00 0.00 C ATOM 678 CG2 ILE A 43 8.436 -4.477 2.113 1.00 0.00 C ATOM 679 CD1 ILE A 43 6.919 -3.136 -0.260 1.00 0.00 C ATOM 0 H ILE A 43 4.939 -2.543 2.090 1.00 0.00 H new ATOM 0 HA ILE A 43 5.947 -5.052 1.373 1.00 0.00 H new ATOM 0 HB ILE A 43 7.295 -3.019 3.179 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.475 -1.769 1.317 1.00 0.00 H new ATOM 0 HG13 ILE A 43 8.187 -2.037 1.059 1.00 0.00 H new ATOM 0 HG21 ILE A 43 9.348 -3.881 2.114 1.00 0.00 H new ATOM 0 HG22 ILE A 43 8.454 -5.169 2.955 1.00 0.00 H new ATOM 0 HG23 ILE A 43 8.372 -5.040 1.182 1.00 0.00 H new ATOM 0 HD11 ILE A 43 6.928 -2.351 -1.016 1.00 0.00 H new ATOM 0 HD12 ILE A 43 7.676 -3.882 -0.502 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.937 -3.609 -0.240 1.00 0.00 H new ATOM 691 N ASN A 44 5.211 -4.625 4.537 1.00 0.00 N ATOM 692 CA ASN A 44 5.062 -5.298 5.822 1.00 0.00 C ATOM 693 C ASN A 44 3.755 -6.075 5.871 1.00 0.00 C ATOM 694 O ASN A 44 3.721 -7.238 6.273 1.00 0.00 O ATOM 695 CB ASN A 44 5.113 -4.282 6.964 1.00 0.00 C ATOM 696 CG ASN A 44 6.520 -3.791 7.238 1.00 0.00 C ATOM 697 OD1 ASN A 44 7.392 -4.560 7.644 1.00 0.00 O ATOM 698 ND2 ASN A 44 6.750 -2.502 7.016 1.00 0.00 N ATOM 0 H ASN A 44 4.785 -3.699 4.493 1.00 0.00 H new ATOM 0 HA ASN A 44 5.888 -6.000 5.939 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.476 -3.432 6.719 1.00 0.00 H new ATOM 0 HB3 ASN A 44 4.707 -4.735 7.868 1.00 0.00 H new ATOM 0 HD21 ASN A 44 7.678 -2.114 7.182 1.00 0.00 H new ATOM 0 HD22 ASN A 44 5.998 -1.900 6.679 1.00 0.00 H new ATOM 705 N LYS A 45 2.686 -5.419 5.454 1.00 0.00 N ATOM 706 CA LYS A 45 1.362 -6.030 5.436 1.00 0.00 C ATOM 707 C LYS A 45 0.968 -6.520 6.825 1.00 0.00 C ATOM 708 O LYS A 45 1.273 -7.650 7.207 1.00 0.00 O ATOM 709 CB LYS A 45 1.327 -7.189 4.437 1.00 0.00 C ATOM 710 CG LYS A 45 -0.010 -7.914 4.387 1.00 0.00 C ATOM 711 CD LYS A 45 -0.600 -7.907 2.985 1.00 0.00 C ATOM 712 CE LYS A 45 -2.119 -7.856 3.018 1.00 0.00 C ATOM 713 NZ LYS A 45 -2.729 -8.811 2.051 1.00 0.00 N ATOM 0 H LYS A 45 2.707 -4.455 5.120 1.00 0.00 H new ATOM 0 HA LYS A 45 0.642 -5.273 5.125 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.561 -6.807 3.443 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.108 -7.904 4.696 1.00 0.00 H new ATOM 0 HG2 LYS A 45 0.121 -8.943 4.722 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.707 -7.440 5.078 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.218 -7.048 2.433 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.277 -8.799 2.449 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.468 -8.086 4.025 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.453 -6.844 2.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.617 -8.413 1.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.070 -8.975 1.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.926 -9.712 2.531 1.00 0.00 H new ATOM 727 N GLY A 46 0.289 -5.660 7.576 1.00 0.00 N ATOM 728 CA GLY A 46 -0.137 -6.020 8.916 1.00 0.00 C ATOM 729 C GLY A 46 1.030 -6.268 9.850 1.00 0.00 C ATOM 730 O GLY A 46 1.217 -7.382 10.339 1.00 0.00 O ATOM 0 H GLY A 46 0.026 -4.720 7.281 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.760 -5.223 9.322 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -0.756 -6.916 8.868 1.00 0.00 H new ATOM 734 N GLN A 47 1.819 -5.227 10.099 1.00 0.00 N ATOM 735 CA GLN A 47 2.975 -5.337 10.981 1.00 0.00 C ATOM 736 C GLN A 47 3.111 -4.097 11.858 1.00 0.00 C ATOM 737 O GLN A 47 2.666 -3.010 11.487 1.00 0.00 O ATOM 738 CB GLN A 47 4.250 -5.537 10.161 1.00 0.00 C ATOM 739 CG GLN A 47 5.366 -6.227 10.930 1.00 0.00 C ATOM 740 CD GLN A 47 6.698 -5.514 10.791 1.00 0.00 C ATOM 741 OE1 GLN A 47 6.767 -4.286 10.851 1.00 0.00 O ATOM 742 NE2 GLN A 47 7.764 -6.283 10.602 1.00 0.00 N ATOM 0 H GLN A 47 1.678 -4.298 9.702 1.00 0.00 H new ATOM 0 HA GLN A 47 2.826 -6.202 11.627 1.00 0.00 H new ATOM 0 HB2 GLN A 47 4.013 -6.125 9.274 1.00 0.00 H new ATOM 0 HB3 GLN A 47 4.605 -4.567 9.814 1.00 0.00 H new ATOM 0 HG2 GLN A 47 5.096 -6.282 11.985 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.468 -7.252 10.574 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.660 -7.297 10.559 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.686 -5.860 10.500 1.00 0.00 H new ATOM 751 N LEU A 48 3.729 -4.267 13.021 1.00 0.00 N ATOM 752 CA LEU A 48 3.925 -3.162 13.952 1.00 0.00 C ATOM 753 C LEU A 48 4.967 -2.183 13.422 1.00 0.00 C ATOM 754 O LEU A 48 6.168 -2.449 13.477 1.00 0.00 O ATOM 755 CB LEU A 48 4.354 -3.694 15.322 1.00 0.00 C ATOM 756 CG LEU A 48 3.629 -3.068 16.514 1.00 0.00 C ATOM 757 CD1 LEU A 48 3.875 -1.567 16.559 1.00 0.00 C ATOM 758 CD2 LEU A 48 2.138 -3.364 16.445 1.00 0.00 C ATOM 0 H LEU A 48 4.103 -5.160 13.342 1.00 0.00 H new ATOM 0 HA LEU A 48 2.978 -2.633 14.056 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.193 -4.772 15.343 1.00 0.00 H new ATOM 0 HB3 LEU A 48 5.425 -3.529 15.440 1.00 0.00 H new ATOM 0 HG LEU A 48 4.025 -3.508 17.429 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.352 -1.138 17.413 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.944 -1.376 16.655 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.506 -1.110 15.641 1.00 0.00 H new ATOM 0 HD21 LEU A 48 1.637 -2.911 17.301 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.727 -2.951 15.524 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.980 -4.442 16.461 1.00 0.00 H new ATOM 770 N CYS A 49 4.500 -1.049 12.910 1.00 0.00 N ATOM 771 CA CYS A 49 5.393 -0.029 12.371 1.00 0.00 C ATOM 772 C CYS A 49 5.284 1.267 13.167 1.00 0.00 C ATOM 773 O CYS A 49 4.390 1.423 13.999 1.00 0.00 O ATOM 774 CB CYS A 49 5.069 0.235 10.899 1.00 0.00 C ATOM 775 SG CYS A 49 5.059 -1.249 9.867 1.00 0.00 S ATOM 0 H CYS A 49 3.509 -0.813 12.857 1.00 0.00 H new ATOM 0 HA CYS A 49 6.415 -0.398 12.452 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.093 0.716 10.834 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.799 0.938 10.498 1.00 0.00 H new ATOM 0 HG CYS A 49 4.181 -2.091 10.326 1.00 0.00 H new ATOM 781 N LEU A 50 6.199 2.194 12.904 1.00 0.00 N ATOM 782 CA LEU A 50 6.208 3.479 13.594 1.00 0.00 C ATOM 783 C LEU A 50 5.970 4.620 12.611 1.00 0.00 C ATOM 784 O LEU A 50 6.445 4.584 11.476 1.00 0.00 O ATOM 785 CB LEU A 50 7.539 3.681 14.323 1.00 0.00 C ATOM 786 CG LEU A 50 7.467 3.559 15.846 1.00 0.00 C ATOM 787 CD1 LEU A 50 6.433 4.521 16.410 1.00 0.00 C ATOM 788 CD2 LEU A 50 7.144 2.129 16.250 1.00 0.00 C ATOM 0 H LEU A 50 6.945 2.079 12.217 1.00 0.00 H new ATOM 0 HA LEU A 50 5.401 3.480 14.326 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.256 2.950 13.949 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.928 4.667 14.071 1.00 0.00 H new ATOM 0 HG LEU A 50 8.441 3.822 16.260 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.396 4.420 17.495 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.707 5.543 16.150 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.454 4.290 15.990 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.097 2.060 17.337 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.183 1.839 15.826 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.921 1.461 15.878 1.00 0.00 H new ATOM 800 N ARG A 51 5.230 5.632 13.053 1.00 0.00 N ATOM 801 CA ARG A 51 4.929 6.781 12.208 1.00 0.00 C ATOM 802 C ARG A 51 6.185 7.588 11.919 1.00 0.00 C ATOM 803 O ARG A 51 6.320 8.189 10.854 1.00 0.00 O ATOM 804 CB ARG A 51 3.875 7.670 12.870 1.00 0.00 C ATOM 805 CG ARG A 51 4.349 8.314 14.165 1.00 0.00 C ATOM 806 CD ARG A 51 3.288 8.238 15.252 1.00 0.00 C ATOM 807 NE ARG A 51 2.733 9.552 15.568 1.00 0.00 N ATOM 808 CZ ARG A 51 2.071 9.827 16.690 1.00 0.00 C ATOM 809 NH1 ARG A 51 1.879 8.884 17.604 1.00 0.00 N ATOM 810 NH2 ARG A 51 1.600 11.049 16.898 1.00 0.00 N ATOM 0 H ARG A 51 4.829 5.679 13.990 1.00 0.00 H new ATOM 0 HA ARG A 51 4.534 6.409 11.263 1.00 0.00 H new ATOM 0 HB2 ARG A 51 3.581 8.453 12.171 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.985 7.074 13.074 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.257 7.817 14.507 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.606 9.357 13.980 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.486 7.574 14.930 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.721 7.802 16.152 1.00 0.00 H new ATOM 0 HE ARG A 51 2.860 10.303 14.889 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.239 7.942 17.449 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.371 9.101 18.462 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.745 11.777 16.199 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.093 11.261 17.757 1.00 0.00 H new ATOM 824 N LYS A 52 7.103 7.590 12.871 1.00 0.00 N ATOM 825 CA LYS A 52 8.356 8.317 12.717 1.00 0.00 C ATOM 826 C LYS A 52 9.384 7.474 11.978 1.00 0.00 C ATOM 827 O LYS A 52 10.385 7.988 11.495 1.00 0.00 O ATOM 828 CB LYS A 52 8.904 8.746 14.079 1.00 0.00 C ATOM 829 CG LYS A 52 8.160 9.921 14.692 1.00 0.00 C ATOM 830 CD LYS A 52 9.090 10.808 15.503 1.00 0.00 C ATOM 831 CE LYS A 52 8.511 12.201 15.685 1.00 0.00 C ATOM 832 NZ LYS A 52 7.731 12.318 16.948 1.00 0.00 N ATOM 0 H LYS A 52 7.006 7.097 13.759 1.00 0.00 H new ATOM 0 HA LYS A 52 8.155 9.211 12.127 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.856 7.899 14.764 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.956 9.009 13.971 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.692 10.509 13.902 1.00 0.00 H new ATOM 0 HG3 LYS A 52 7.358 9.552 15.332 1.00 0.00 H new ATOM 0 HD2 LYS A 52 9.267 10.356 16.479 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.056 10.877 15.004 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.319 12.932 15.689 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.868 12.440 14.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.353 13.283 17.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 6.944 11.638 16.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.350 12.115 17.759 1.00 0.00 H new ATOM 846 N HIS A 53 9.124 6.180 11.876 1.00 0.00 N ATOM 847 CA HIS A 53 10.019 5.284 11.164 1.00 0.00 C ATOM 848 C HIS A 53 9.597 5.195 9.706 1.00 0.00 C ATOM 849 O HIS A 53 10.416 4.945 8.822 1.00 0.00 O ATOM 850 CB HIS A 53 10.016 3.902 11.816 1.00 0.00 C ATOM 851 CG HIS A 53 10.735 2.852 11.023 1.00 0.00 C ATOM 852 ND1 HIS A 53 12.016 2.433 11.314 1.00 0.00 N ATOM 853 CD2 HIS A 53 10.343 2.134 9.943 1.00 0.00 C ATOM 854 CE1 HIS A 53 12.381 1.504 10.449 1.00 0.00 C ATOM 855 NE2 HIS A 53 11.384 1.304 9.608 1.00 0.00 N ATOM 0 H HIS A 53 8.302 5.728 12.277 1.00 0.00 H new ATOM 0 HA HIS A 53 11.035 5.677 11.212 1.00 0.00 H new ATOM 0 HB2 HIS A 53 10.475 3.976 12.802 1.00 0.00 H new ATOM 0 HB3 HIS A 53 8.984 3.585 11.967 1.00 0.00 H new ATOM 0 HD2 HIS A 53 9.390 2.202 9.440 1.00 0.00 H new ATOM 0 HE1 HIS A 53 13.333 0.995 10.433 1.00 0.00 H new ATOM 0 HE2 HIS A 53 11.386 0.640 8.834 1.00 0.00 H new ATOM 864 N LEU A 54 8.312 5.421 9.465 1.00 0.00 N ATOM 865 CA LEU A 54 7.779 5.388 8.116 1.00 0.00 C ATOM 866 C LEU A 54 8.283 6.584 7.324 1.00 0.00 C ATOM 867 O LEU A 54 8.360 6.538 6.098 1.00 0.00 O ATOM 868 CB LEU A 54 6.248 5.376 8.141 1.00 0.00 C ATOM 869 CG LEU A 54 5.586 4.394 7.170 1.00 0.00 C ATOM 870 CD1 LEU A 54 6.159 4.554 5.770 1.00 0.00 C ATOM 871 CD2 LEU A 54 5.759 2.964 7.659 1.00 0.00 C ATOM 0 H LEU A 54 7.623 5.629 10.188 1.00 0.00 H new ATOM 0 HA LEU A 54 8.122 4.474 7.631 1.00 0.00 H new ATOM 0 HB2 LEU A 54 5.919 5.138 9.153 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.889 6.381 7.917 1.00 0.00 H new ATOM 0 HG LEU A 54 4.520 4.618 7.129 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.675 3.847 5.096 1.00 0.00 H new ATOM 0 HD12 LEU A 54 5.982 5.570 5.418 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.231 4.359 5.791 1.00 0.00 H new ATOM 0 HD21 LEU A 54 5.283 2.279 6.957 1.00 0.00 H new ATOM 0 HD22 LEU A 54 6.821 2.730 7.730 1.00 0.00 H new ATOM 0 HD23 LEU A 54 5.297 2.857 8.641 1.00 0.00 H new ATOM 883 N LEU A 55 8.633 7.654 8.031 1.00 0.00 N ATOM 884 CA LEU A 55 9.133 8.851 7.373 1.00 0.00 C ATOM 885 C LEU A 55 10.568 8.653 6.886 1.00 0.00 C ATOM 886 O LEU A 55 11.088 9.464 6.123 1.00 0.00 O ATOM 887 CB LEU A 55 8.997 10.076 8.305 1.00 0.00 C ATOM 888 CG LEU A 55 10.184 10.446 9.225 1.00 0.00 C ATOM 889 CD1 LEU A 55 9.664 10.908 10.577 1.00 0.00 C ATOM 890 CD2 LEU A 55 11.161 9.298 9.427 1.00 0.00 C ATOM 0 H LEU A 55 8.580 7.715 9.048 1.00 0.00 H new ATOM 0 HA LEU A 55 8.525 9.043 6.489 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.780 10.943 7.681 1.00 0.00 H new ATOM 0 HB3 LEU A 55 8.126 9.913 8.939 1.00 0.00 H new ATOM 0 HG LEU A 55 10.728 11.249 8.728 1.00 0.00 H new ATOM 0 HD11 LEU A 55 10.504 11.167 11.221 1.00 0.00 H new ATOM 0 HD12 LEU A 55 9.027 11.782 10.442 1.00 0.00 H new ATOM 0 HD13 LEU A 55 9.087 10.106 11.038 1.00 0.00 H new ATOM 0 HD21 LEU A 55 11.971 9.620 10.081 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.642 8.454 9.881 1.00 0.00 H new ATOM 0 HD23 LEU A 55 11.572 8.996 8.464 1.00 0.00 H new ATOM 902 N GLU A 56 11.208 7.569 7.337 1.00 0.00 N ATOM 903 CA GLU A 56 12.582 7.282 6.943 1.00 0.00 C ATOM 904 C GLU A 56 12.635 6.490 5.642 1.00 0.00 C ATOM 905 O GLU A 56 13.653 6.491 4.950 1.00 0.00 O ATOM 906 CB GLU A 56 13.302 6.514 8.053 1.00 0.00 C ATOM 907 CG GLU A 56 13.933 7.413 9.103 1.00 0.00 C ATOM 908 CD GLU A 56 14.928 6.676 9.978 1.00 0.00 C ATOM 909 OE1 GLU A 56 15.894 6.105 9.429 1.00 0.00 O ATOM 910 OE2 GLU A 56 14.742 6.671 11.213 1.00 0.00 O ATOM 0 H GLU A 56 10.796 6.883 7.970 1.00 0.00 H new ATOM 0 HA GLU A 56 13.086 8.234 6.779 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.593 5.844 8.539 1.00 0.00 H new ATOM 0 HB3 GLU A 56 14.077 5.890 7.608 1.00 0.00 H new ATOM 0 HG2 GLU A 56 14.435 8.245 8.610 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.150 7.839 9.729 1.00 0.00 H new ATOM 917 N GLU A 57 11.540 5.818 5.308 1.00 0.00 N ATOM 918 CA GLU A 57 11.484 5.030 4.080 1.00 0.00 C ATOM 919 C GLU A 57 11.001 5.881 2.919 1.00 0.00 C ATOM 920 O GLU A 57 11.408 5.681 1.775 1.00 0.00 O ATOM 921 CB GLU A 57 10.579 3.811 4.260 1.00 0.00 C ATOM 922 CG GLU A 57 11.310 2.580 4.771 1.00 0.00 C ATOM 923 CD GLU A 57 11.201 1.400 3.824 1.00 0.00 C ATOM 924 OE1 GLU A 57 11.426 1.591 2.611 1.00 0.00 O ATOM 925 OE2 GLU A 57 10.890 0.286 4.296 1.00 0.00 O ATOM 0 H GLU A 57 10.685 5.802 5.864 1.00 0.00 H new ATOM 0 HA GLU A 57 12.492 4.680 3.856 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.779 4.063 4.956 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.109 3.574 3.306 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.362 2.823 4.922 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.905 2.299 5.743 1.00 0.00 H new ATOM 932 N ILE A 58 10.152 6.844 3.227 1.00 0.00 N ATOM 933 CA ILE A 58 9.635 7.748 2.216 1.00 0.00 C ATOM 934 C ILE A 58 10.588 8.925 2.036 1.00 0.00 C ATOM 935 O ILE A 58 10.561 9.611 1.015 1.00 0.00 O ATOM 936 CB ILE A 58 8.226 8.261 2.571 1.00 0.00 C ATOM 937 CG1 ILE A 58 7.367 7.114 3.109 1.00 0.00 C ATOM 938 CG2 ILE A 58 7.568 8.889 1.351 1.00 0.00 C ATOM 939 CD1 ILE A 58 5.954 7.524 3.454 1.00 0.00 C ATOM 0 H ILE A 58 9.805 7.020 4.170 1.00 0.00 H new ATOM 0 HA ILE A 58 9.558 7.192 1.282 1.00 0.00 H new ATOM 0 HB ILE A 58 8.316 9.023 3.345 1.00 0.00 H new ATOM 0 HG12 ILE A 58 7.334 6.317 2.366 1.00 0.00 H new ATOM 0 HG13 ILE A 58 7.843 6.701 3.998 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.573 9.247 1.618 1.00 0.00 H new ATOM 0 HG22 ILE A 58 8.173 9.726 1.002 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.486 8.145 0.559 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.406 6.660 3.829 1.00 0.00 H new ATOM 0 HD12 ILE A 58 5.977 8.299 4.220 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.459 7.909 2.563 1.00 0.00 H new ATOM 951 N LYS A 59 11.453 9.132 3.031 1.00 0.00 N ATOM 952 CA LYS A 59 12.439 10.199 2.977 1.00 0.00 C ATOM 953 C LYS A 59 13.632 9.746 2.146 1.00 0.00 C ATOM 954 O LYS A 59 14.206 10.528 1.388 1.00 0.00 O ATOM 955 CB LYS A 59 12.892 10.594 4.386 1.00 0.00 C ATOM 956 CG LYS A 59 14.005 11.630 4.403 1.00 0.00 C ATOM 957 CD LYS A 59 15.377 10.975 4.412 1.00 0.00 C ATOM 958 CE LYS A 59 16.393 11.801 3.641 1.00 0.00 C ATOM 959 NZ LYS A 59 17.774 11.619 4.167 1.00 0.00 N ATOM 0 H LYS A 59 11.486 8.571 3.882 1.00 0.00 H new ATOM 0 HA LYS A 59 11.985 11.074 2.512 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.036 10.984 4.937 1.00 0.00 H new ATOM 0 HB3 LYS A 59 13.230 9.702 4.913 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.915 12.276 3.530 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.898 12.265 5.282 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.714 10.849 5.441 1.00 0.00 H new ATOM 0 HD3 LYS A 59 15.309 9.979 3.974 1.00 0.00 H new ATOM 0 HE2 LYS A 59 16.366 11.519 2.588 1.00 0.00 H new ATOM 0 HE3 LYS A 59 16.120 12.855 3.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 18.436 12.200 3.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 17.807 11.912 5.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 18.045 10.618 4.091 1.00 0.00 H new ATOM 973 N ASN A 60 13.987 8.467 2.275 1.00 0.00 N ATOM 974 CA ASN A 60 15.095 7.913 1.511 1.00 0.00 C ATOM 975 C ASN A 60 14.776 7.999 0.025 1.00 0.00 C ATOM 976 O ASN A 60 15.659 8.210 -0.807 1.00 0.00 O ATOM 977 CB ASN A 60 15.352 6.459 1.915 1.00 0.00 C ATOM 978 CG ASN A 60 16.489 6.328 2.910 1.00 0.00 C ATOM 979 OD1 ASN A 60 16.949 7.318 3.480 1.00 0.00 O ATOM 980 ND2 ASN A 60 16.949 5.101 3.123 1.00 0.00 N ATOM 0 H ASN A 60 13.525 7.803 2.897 1.00 0.00 H new ATOM 0 HA ASN A 60 15.996 8.489 1.721 1.00 0.00 H new ATOM 0 HB2 ASN A 60 14.444 6.039 2.348 1.00 0.00 H new ATOM 0 HB3 ASN A 60 15.582 5.873 1.025 1.00 0.00 H new ATOM 0 HD21 ASN A 60 17.714 4.950 3.781 1.00 0.00 H new ATOM 0 HD22 ASN A 60 16.538 4.309 2.629 1.00 0.00 H new ATOM 987 N HIS A 61 13.493 7.850 -0.291 1.00 0.00 N ATOM 988 CA HIS A 61 13.018 7.924 -1.658 1.00 0.00 C ATOM 989 C HIS A 61 12.747 9.375 -2.040 1.00 0.00 C ATOM 990 O HIS A 61 13.296 9.890 -3.014 1.00 0.00 O ATOM 991 CB HIS A 61 11.742 7.093 -1.811 1.00 0.00 C ATOM 992 CG HIS A 61 11.260 6.989 -3.225 1.00 0.00 C ATOM 993 ND1 HIS A 61 9.923 6.972 -3.564 1.00 0.00 N ATOM 994 CD2 HIS A 61 11.943 6.897 -4.391 1.00 0.00 C ATOM 995 CE1 HIS A 61 9.805 6.874 -4.877 1.00 0.00 C ATOM 996 NE2 HIS A 61 11.015 6.828 -5.401 1.00 0.00 N ATOM 0 H HIS A 61 12.759 7.675 0.396 1.00 0.00 H new ATOM 0 HA HIS A 61 13.784 7.523 -2.322 1.00 0.00 H new ATOM 0 HB2 HIS A 61 11.923 6.091 -1.423 1.00 0.00 H new ATOM 0 HB3 HIS A 61 10.955 7.535 -1.199 1.00 0.00 H new ATOM 0 HD2 HIS A 61 13.017 6.881 -4.505 1.00 0.00 H new ATOM 0 HE1 HIS A 61 8.876 6.838 -5.427 1.00 0.00 H new ATOM 0 HE2 HIS A 61 11.227 6.753 -6.396 1.00 0.00 H new ATOM 1005 N ALA A 62 11.900 10.029 -1.248 1.00 0.00 N ATOM 1006 CA ALA A 62 11.542 11.429 -1.465 1.00 0.00 C ATOM 1007 C ALA A 62 10.334 11.811 -0.623 1.00 0.00 C ATOM 1008 O ALA A 62 9.201 11.778 -1.102 1.00 0.00 O ATOM 1009 CB ALA A 62 11.253 11.709 -2.933 1.00 0.00 C ATOM 0 H ALA A 62 11.444 9.605 -0.440 1.00 0.00 H new ATOM 0 HA ALA A 62 12.397 12.034 -1.162 1.00 0.00 H new ATOM 0 HB1 ALA A 62 10.990 12.759 -3.058 1.00 0.00 H new ATOM 0 HB2 ALA A 62 12.138 11.483 -3.528 1.00 0.00 H new ATOM 0 HB3 ALA A 62 10.423 11.085 -3.266 1.00 0.00 H new ATOM 1015 N LYS A 63 10.578 12.184 0.629 1.00 0.00 N ATOM 1016 CA LYS A 63 9.499 12.584 1.524 1.00 0.00 C ATOM 1017 C LYS A 63 8.942 13.936 1.093 1.00 0.00 C ATOM 1018 O LYS A 63 9.010 14.916 1.835 1.00 0.00 O ATOM 1019 CB LYS A 63 10.003 12.653 2.970 1.00 0.00 C ATOM 1020 CG LYS A 63 8.972 13.180 3.957 1.00 0.00 C ATOM 1021 CD LYS A 63 9.546 14.286 4.829 1.00 0.00 C ATOM 1022 CE LYS A 63 8.528 15.387 5.076 1.00 0.00 C ATOM 1023 NZ LYS A 63 9.152 16.596 5.681 1.00 0.00 N ATOM 0 H LYS A 63 11.509 12.218 1.045 1.00 0.00 H new ATOM 0 HA LYS A 63 8.704 11.841 1.471 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.316 11.657 3.283 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.886 13.291 3.007 1.00 0.00 H new ATOM 0 HG2 LYS A 63 8.106 13.557 3.413 1.00 0.00 H new ATOM 0 HG3 LYS A 63 8.621 12.364 4.588 1.00 0.00 H new ATOM 0 HD2 LYS A 63 9.870 13.868 5.782 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.430 14.707 4.349 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.051 15.658 4.134 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.744 15.015 5.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.424 17.323 5.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 9.586 16.344 6.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.883 16.967 5.041 1.00 0.00 H new ATOM 1092 N ARG A 68 4.852 18.928 2.362 1.00 0.00 N ATOM 1093 CA ARG A 68 3.857 17.865 2.281 1.00 0.00 C ATOM 1094 C ARG A 68 4.264 16.671 3.143 1.00 0.00 C ATOM 1095 O ARG A 68 4.367 15.547 2.650 1.00 0.00 O ATOM 1096 CB ARG A 68 3.671 17.424 0.827 1.00 0.00 C ATOM 1097 CG ARG A 68 2.237 17.059 0.481 1.00 0.00 C ATOM 1098 CD ARG A 68 1.326 18.274 0.526 1.00 0.00 C ATOM 1099 NE ARG A 68 0.250 18.191 -0.459 1.00 0.00 N ATOM 1100 CZ ARG A 68 -0.600 19.183 -0.715 1.00 0.00 C ATOM 1101 NH1 ARG A 68 -0.503 20.334 -0.061 1.00 0.00 N ATOM 1102 NH2 ARG A 68 -1.549 19.024 -1.628 1.00 0.00 N ATOM 0 HA ARG A 68 2.911 18.254 2.658 1.00 0.00 H new ATOM 0 HB2 ARG A 68 4.002 18.226 0.168 1.00 0.00 H new ATOM 0 HB3 ARG A 68 4.313 16.565 0.632 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.204 16.615 -0.514 1.00 0.00 H new ATOM 0 HG3 ARG A 68 1.874 16.305 1.179 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.897 18.368 1.524 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.914 19.174 0.345 1.00 0.00 H new ATOM 0 HE ARG A 68 0.144 17.321 -0.981 1.00 0.00 H new ATOM 0 HH11 ARG A 68 0.225 20.462 0.642 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -1.157 21.091 -0.261 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -1.627 18.142 -2.134 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -2.200 19.784 -1.824 1.00 0.00 H new ATOM 1116 N ASN A 69 4.503 16.926 4.429 1.00 0.00 N ATOM 1117 CA ASN A 69 4.909 15.877 5.368 1.00 0.00 C ATOM 1118 C ASN A 69 4.149 14.575 5.117 1.00 0.00 C ATOM 1119 O ASN A 69 2.986 14.591 4.714 1.00 0.00 O ATOM 1120 CB ASN A 69 4.685 16.341 6.808 1.00 0.00 C ATOM 1121 CG ASN A 69 3.307 16.938 7.017 1.00 0.00 C ATOM 1122 OD1 ASN A 69 2.856 17.776 6.236 1.00 0.00 O ATOM 1123 ND2 ASN A 69 2.631 16.509 8.076 1.00 0.00 N ATOM 0 H ASN A 69 4.422 17.853 4.847 1.00 0.00 H new ATOM 0 HA ASN A 69 5.970 15.684 5.211 1.00 0.00 H new ATOM 0 HB2 ASN A 69 4.818 15.496 7.484 1.00 0.00 H new ATOM 0 HB3 ASN A 69 5.442 17.081 7.070 1.00 0.00 H new ATOM 0 HD21 ASN A 69 1.699 16.875 8.269 1.00 0.00 H new ATOM 0 HD22 ASN A 69 3.044 15.813 8.697 1.00 0.00 H new ATOM 1130 N VAL A 70 4.820 13.450 5.347 1.00 0.00 N ATOM 1131 CA VAL A 70 4.216 12.139 5.136 1.00 0.00 C ATOM 1132 C VAL A 70 2.908 11.988 5.905 1.00 0.00 C ATOM 1133 O VAL A 70 2.048 11.193 5.529 1.00 0.00 O ATOM 1134 CB VAL A 70 5.176 11.000 5.536 1.00 0.00 C ATOM 1135 CG1 VAL A 70 5.521 11.074 7.016 1.00 0.00 C ATOM 1136 CG2 VAL A 70 4.572 9.647 5.192 1.00 0.00 C ATOM 0 H VAL A 70 5.784 13.420 5.680 1.00 0.00 H new ATOM 0 HA VAL A 70 4.006 12.067 4.069 1.00 0.00 H new ATOM 0 HB VAL A 70 6.099 11.119 4.969 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.199 10.260 7.273 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.002 12.028 7.230 1.00 0.00 H new ATOM 0 HG13 VAL A 70 4.609 10.987 7.607 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.263 8.856 5.481 1.00 0.00 H new ATOM 0 HG22 VAL A 70 3.632 9.521 5.729 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.387 9.593 4.119 1.00 0.00 H new ATOM 1146 N ASP A 71 2.763 12.752 6.980 1.00 0.00 N ATOM 1147 CA ASP A 71 1.555 12.695 7.797 1.00 0.00 C ATOM 1148 C ASP A 71 0.330 13.054 6.975 1.00 0.00 C ATOM 1149 O ASP A 71 -0.588 12.249 6.818 1.00 0.00 O ATOM 1150 CB ASP A 71 1.677 13.632 9.001 1.00 0.00 C ATOM 1151 CG ASP A 71 1.182 12.992 10.283 1.00 0.00 C ATOM 1152 OD1 ASP A 71 1.417 11.779 10.470 1.00 0.00 O ATOM 1153 OD2 ASP A 71 0.560 13.703 11.099 1.00 0.00 O ATOM 0 H ASP A 71 3.464 13.417 7.307 1.00 0.00 H new ATOM 0 HA ASP A 71 1.439 11.673 8.159 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.719 13.927 9.124 1.00 0.00 H new ATOM 0 HB3 ASP A 71 1.108 14.542 8.809 1.00 0.00 H new ATOM 1158 N VAL A 72 0.331 14.262 6.445 1.00 0.00 N ATOM 1159 CA VAL A 72 -0.775 14.735 5.621 1.00 0.00 C ATOM 1160 C VAL A 72 -0.991 13.809 4.429 1.00 0.00 C ATOM 1161 O VAL A 72 -2.075 13.769 3.847 1.00 0.00 O ATOM 1162 CB VAL A 72 -0.531 16.169 5.113 1.00 0.00 C ATOM 1163 CG1 VAL A 72 -1.749 16.685 4.360 1.00 0.00 C ATOM 1164 CG2 VAL A 72 -0.179 17.093 6.269 1.00 0.00 C ATOM 0 H VAL A 72 1.085 14.938 6.568 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.666 14.736 6.249 1.00 0.00 H new ATOM 0 HB VAL A 72 0.313 16.151 4.423 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.557 17.699 4.009 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -1.950 16.038 3.506 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -2.613 16.688 5.024 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -0.010 18.101 5.891 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.000 17.107 6.986 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.725 16.734 6.760 1.00 0.00 H new ATOM 1174 N HIS A 73 0.049 13.060 4.078 1.00 0.00 N ATOM 1175 CA HIS A 73 -0.021 12.126 2.964 1.00 0.00 C ATOM 1176 C HIS A 73 -0.830 10.892 3.342 1.00 0.00 C ATOM 1177 O HIS A 73 -1.405 10.228 2.479 1.00 0.00 O ATOM 1178 CB HIS A 73 1.387 11.717 2.523 1.00 0.00 C ATOM 1179 CG HIS A 73 1.855 12.414 1.283 1.00 0.00 C ATOM 1180 ND1 HIS A 73 1.253 13.549 0.783 1.00 0.00 N ATOM 1181 CD2 HIS A 73 2.876 12.129 0.440 1.00 0.00 C ATOM 1182 CE1 HIS A 73 1.882 13.931 -0.315 1.00 0.00 C ATOM 1183 NE2 HIS A 73 2.871 13.087 -0.544 1.00 0.00 N ATOM 0 H HIS A 73 0.952 13.083 4.552 1.00 0.00 H new ATOM 0 HA HIS A 73 -0.521 12.625 2.133 1.00 0.00 H new ATOM 0 HB2 HIS A 73 2.087 11.925 3.332 1.00 0.00 H new ATOM 0 HB3 HIS A 73 1.407 10.640 2.354 1.00 0.00 H new ATOM 0 HD1 HIS A 73 0.448 14.020 1.196 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.566 11.302 0.526 1.00 0.00 H new ATOM 0 HE1 HIS A 73 1.630 14.788 -0.922 1.00 0.00 H new ATOM 1192 N ILE A 74 -0.875 10.589 4.635 1.00 0.00 N ATOM 1193 CA ILE A 74 -1.621 9.432 5.115 1.00 0.00 C ATOM 1194 C ILE A 74 -3.116 9.700 5.085 1.00 0.00 C ATOM 1195 O ILE A 74 -3.911 8.828 4.734 1.00 0.00 O ATOM 1196 CB ILE A 74 -1.213 9.027 6.548 1.00 0.00 C ATOM 1197 CG1 ILE A 74 0.293 9.204 6.760 1.00 0.00 C ATOM 1198 CG2 ILE A 74 -1.622 7.589 6.827 1.00 0.00 C ATOM 1199 CD1 ILE A 74 1.139 8.546 5.690 1.00 0.00 C ATOM 0 H ILE A 74 -0.407 11.125 5.365 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.379 8.609 4.442 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.733 9.682 7.247 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.524 10.269 6.790 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.565 8.791 7.731 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.328 7.317 7.841 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.703 7.492 6.724 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.129 6.926 6.116 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.194 8.713 5.906 1.00 0.00 H new ATOM 0 HD12 ILE A 74 0.937 7.475 5.674 1.00 0.00 H new ATOM 0 HD13 ILE A 74 0.895 8.976 4.718 1.00 0.00 H new ATOM 1211 N ALA A 75 -3.489 10.915 5.449 1.00 0.00 N ATOM 1212 CA ALA A 75 -4.887 11.311 5.460 1.00 0.00 C ATOM 1213 C ALA A 75 -5.385 11.565 4.048 1.00 0.00 C ATOM 1214 O ALA A 75 -6.561 11.361 3.744 1.00 0.00 O ATOM 1215 CB ALA A 75 -5.088 12.542 6.332 1.00 0.00 C ATOM 0 H ALA A 75 -2.841 11.646 5.742 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.470 10.493 5.883 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.141 12.823 6.327 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.776 12.320 7.353 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.491 13.366 5.941 1.00 0.00 H new ATOM 1221 N SER A 76 -4.478 11.996 3.185 1.00 0.00 N ATOM 1222 CA SER A 76 -4.817 12.261 1.796 1.00 0.00 C ATOM 1223 C SER A 76 -4.906 10.959 1.023 1.00 0.00 C ATOM 1224 O SER A 76 -5.669 10.843 0.065 1.00 0.00 O ATOM 1225 CB SER A 76 -3.786 13.192 1.155 1.00 0.00 C ATOM 1226 OG SER A 76 -4.051 13.373 -0.226 1.00 0.00 O ATOM 0 H SER A 76 -3.501 12.170 3.422 1.00 0.00 H new ATOM 0 HA SER A 76 -5.788 12.756 1.766 1.00 0.00 H new ATOM 0 HB2 SER A 76 -3.799 14.158 1.661 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.786 12.778 1.285 1.00 0.00 H new ATOM 0 HG SER A 76 -3.205 13.435 -0.716 1.00 0.00 H new ATOM 1232 N LEU A 77 -4.139 9.969 1.460 1.00 0.00 N ATOM 1233 CA LEU A 77 -4.161 8.671 0.818 1.00 0.00 C ATOM 1234 C LEU A 77 -5.504 8.005 1.059 1.00 0.00 C ATOM 1235 O LEU A 77 -6.003 7.258 0.219 1.00 0.00 O ATOM 1236 CB LEU A 77 -3.035 7.780 1.334 1.00 0.00 C ATOM 1237 CG LEU A 77 -3.054 6.351 0.789 1.00 0.00 C ATOM 1238 CD1 LEU A 77 -3.097 6.362 -0.731 1.00 0.00 C ATOM 1239 CD2 LEU A 77 -1.846 5.574 1.285 1.00 0.00 C ATOM 0 H LEU A 77 -3.500 10.043 2.251 1.00 0.00 H new ATOM 0 HA LEU A 77 -4.011 8.815 -0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.080 8.239 1.079 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.090 7.741 2.422 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.953 5.855 1.155 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.110 5.337 -1.102 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.995 6.881 -1.066 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.216 6.876 -1.116 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.877 4.560 0.887 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.934 6.067 0.950 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.860 5.537 2.374 1.00 0.00 H new ATOM 1251 N ARG A 78 -6.093 8.300 2.211 1.00 0.00 N ATOM 1252 CA ARG A 78 -7.392 7.749 2.563 1.00 0.00 C ATOM 1253 C ARG A 78 -8.423 8.128 1.509 1.00 0.00 C ATOM 1254 O ARG A 78 -9.430 7.442 1.330 1.00 0.00 O ATOM 1255 CB ARG A 78 -7.831 8.256 3.940 1.00 0.00 C ATOM 1256 CG ARG A 78 -7.942 7.157 4.986 1.00 0.00 C ATOM 1257 CD ARG A 78 -7.227 7.535 6.273 1.00 0.00 C ATOM 1258 NE ARG A 78 -7.954 7.081 7.456 1.00 0.00 N ATOM 1259 CZ ARG A 78 -9.009 7.713 7.966 1.00 0.00 C ATOM 1260 NH1 ARG A 78 -9.464 8.824 7.399 1.00 0.00 N ATOM 1261 NH2 ARG A 78 -9.611 7.233 9.046 1.00 0.00 N ATOM 0 H ARG A 78 -5.691 8.918 2.916 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.312 6.663 2.603 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.119 9.005 4.286 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.796 8.754 3.844 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.993 6.960 5.197 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -7.518 6.234 4.591 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.227 7.101 6.273 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.105 8.617 6.316 1.00 0.00 H new ATOM 0 HE ARG A 78 -7.635 6.230 7.918 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -9.005 9.198 6.568 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -10.273 9.304 7.794 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -9.266 6.380 9.486 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.419 7.717 9.437 1.00 0.00 H new ATOM 1275 N LYS A 79 -8.158 9.227 0.810 1.00 0.00 N ATOM 1276 CA LYS A 79 -9.057 9.702 -0.235 1.00 0.00 C ATOM 1277 C LYS A 79 -8.688 9.110 -1.590 1.00 0.00 C ATOM 1278 O LYS A 79 -9.543 8.931 -2.457 1.00 0.00 O ATOM 1279 CB LYS A 79 -9.032 11.230 -0.306 1.00 0.00 C ATOM 1280 CG LYS A 79 -10.053 11.811 -1.271 1.00 0.00 C ATOM 1281 CD LYS A 79 -10.070 13.332 -1.217 1.00 0.00 C ATOM 1282 CE LYS A 79 -11.485 13.870 -1.073 1.00 0.00 C ATOM 1283 NZ LYS A 79 -11.715 15.064 -1.931 1.00 0.00 N ATOM 0 H LYS A 79 -7.329 9.805 0.948 1.00 0.00 H new ATOM 0 HA LYS A 79 -10.065 9.374 0.017 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -9.214 11.635 0.690 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.036 11.555 -0.605 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.823 11.485 -2.285 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -11.044 11.426 -1.029 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -9.463 13.674 -0.379 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -9.617 13.734 -2.123 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.199 13.090 -1.338 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.670 14.131 -0.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -12.691 15.400 -1.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.051 15.818 -1.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -11.564 14.809 -2.928 1.00 0.00 H new ATOM 1297 N LYS A 80 -7.408 8.815 -1.764 1.00 0.00 N ATOM 1298 CA LYS A 80 -6.913 8.250 -3.010 1.00 0.00 C ATOM 1299 C LYS A 80 -7.071 6.737 -3.029 1.00 0.00 C ATOM 1300 O LYS A 80 -7.665 6.169 -3.944 1.00 0.00 O ATOM 1301 CB LYS A 80 -5.444 8.629 -3.214 1.00 0.00 C ATOM 1302 CG LYS A 80 -5.240 9.762 -4.206 1.00 0.00 C ATOM 1303 CD LYS A 80 -5.927 11.039 -3.745 1.00 0.00 C ATOM 1304 CE LYS A 80 -6.963 11.512 -4.753 1.00 0.00 C ATOM 1305 NZ LYS A 80 -6.376 12.438 -5.760 1.00 0.00 N ATOM 0 H LYS A 80 -6.690 8.959 -1.054 1.00 0.00 H new ATOM 0 HA LYS A 80 -7.506 8.662 -3.827 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.015 8.916 -2.254 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.896 7.752 -3.559 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.173 9.947 -4.334 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.631 9.469 -5.180 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -6.408 10.867 -2.782 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -5.182 11.820 -3.595 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -7.395 10.650 -5.261 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.776 12.014 -4.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -7.114 12.737 -6.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -5.986 13.273 -5.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.617 11.951 -6.278 1.00 0.00 H new ATOM 1319 N LEU A 81 -6.527 6.099 -2.010 1.00 0.00 N ATOM 1320 CA LEU A 81 -6.586 4.647 -1.883 1.00 0.00 C ATOM 1321 C LEU A 81 -7.995 4.186 -1.517 1.00 0.00 C ATOM 1322 O LEU A 81 -8.409 3.084 -1.875 1.00 0.00 O ATOM 1323 CB LEU A 81 -5.581 4.173 -0.829 1.00 0.00 C ATOM 1324 CG LEU A 81 -5.578 2.667 -0.547 1.00 0.00 C ATOM 1325 CD1 LEU A 81 -5.591 1.873 -1.843 1.00 0.00 C ATOM 1326 CD2 LEU A 81 -4.368 2.291 0.297 1.00 0.00 C ATOM 0 H LEU A 81 -6.033 6.565 -1.249 1.00 0.00 H new ATOM 0 HA LEU A 81 -6.327 4.207 -2.846 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.581 4.467 -1.148 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.785 4.699 0.104 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.482 2.421 0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.589 0.807 -1.617 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.487 2.121 -2.413 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.707 2.121 -2.431 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.378 1.218 0.490 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.455 2.555 -0.237 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.403 2.830 1.244 1.00 0.00 H new ATOM 1338 N GLY A 82 -8.728 5.039 -0.808 1.00 0.00 N ATOM 1339 CA GLY A 82 -10.084 4.701 -0.413 1.00 0.00 C ATOM 1340 C GLY A 82 -10.144 3.959 0.908 1.00 0.00 C ATOM 1341 O GLY A 82 -9.408 4.278 1.842 1.00 0.00 O ATOM 0 H GLY A 82 -8.408 5.957 -0.500 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -10.674 5.614 -0.338 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.542 4.088 -1.190 1.00 0.00 H new ATOM 1345 N ALA A 83 -11.026 2.966 0.986 1.00 0.00 N ATOM 1346 CA ALA A 83 -11.187 2.174 2.202 1.00 0.00 C ATOM 1347 C ALA A 83 -9.878 1.505 2.611 1.00 0.00 C ATOM 1348 O ALA A 83 -9.701 1.125 3.768 1.00 0.00 O ATOM 1349 CB ALA A 83 -12.278 1.132 2.010 1.00 0.00 C ATOM 0 H ALA A 83 -11.641 2.690 0.220 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.479 2.850 3.006 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -12.388 0.548 2.924 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -13.220 1.630 1.782 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -12.008 0.470 1.187 1.00 0.00 H new ATOM 1355 N TYR A 84 -8.965 1.371 1.658 1.00 0.00 N ATOM 1356 CA TYR A 84 -7.672 0.756 1.918 1.00 0.00 C ATOM 1357 C TYR A 84 -6.686 1.792 2.447 1.00 0.00 C ATOM 1358 O TYR A 84 -5.748 1.458 3.169 1.00 0.00 O ATOM 1359 CB TYR A 84 -7.127 0.101 0.646 1.00 0.00 C ATOM 1360 CG TYR A 84 -7.049 -1.407 0.729 1.00 0.00 C ATOM 1361 CD1 TYR A 84 -8.191 -2.188 0.604 1.00 0.00 C ATOM 1362 CD2 TYR A 84 -5.834 -2.048 0.931 1.00 0.00 C ATOM 1363 CE1 TYR A 84 -8.124 -3.567 0.680 1.00 0.00 C ATOM 1364 CE2 TYR A 84 -5.758 -3.426 1.007 1.00 0.00 C ATOM 1365 CZ TYR A 84 -6.905 -4.181 0.881 1.00 0.00 C ATOM 1366 OH TYR A 84 -6.835 -5.554 0.956 1.00 0.00 O ATOM 0 H TYR A 84 -9.098 1.681 0.695 1.00 0.00 H new ATOM 0 HA TYR A 84 -7.803 -0.016 2.677 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -7.761 0.378 -0.196 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -6.133 0.497 0.440 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -9.147 -1.710 0.445 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -4.933 -1.460 1.030 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -9.021 -4.160 0.583 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -4.805 -3.909 1.164 1.00 0.00 H new ATOM 0 HH TYR A 84 -5.905 -5.827 1.099 1.00 0.00 H new ATOM 1376 N GLY A 85 -6.909 3.054 2.092 1.00 0.00 N ATOM 1377 CA GLY A 85 -6.035 4.111 2.557 1.00 0.00 C ATOM 1378 C GLY A 85 -6.112 4.267 4.059 1.00 0.00 C ATOM 1379 O GLY A 85 -5.143 4.670 4.703 1.00 0.00 O ATOM 0 H GLY A 85 -7.676 3.361 1.494 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -5.008 3.892 2.264 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -6.310 5.050 2.077 1.00 0.00 H new ATOM 1383 N SER A 86 -7.270 3.930 4.618 1.00 0.00 N ATOM 1384 CA SER A 86 -7.479 4.016 6.055 1.00 0.00 C ATOM 1385 C SER A 86 -6.730 2.899 6.774 1.00 0.00 C ATOM 1386 O SER A 86 -6.521 2.962 7.985 1.00 0.00 O ATOM 1387 CB SER A 86 -8.972 3.941 6.383 1.00 0.00 C ATOM 1388 OG SER A 86 -9.186 3.897 7.784 1.00 0.00 O ATOM 0 H SER A 86 -8.078 3.594 4.094 1.00 0.00 H new ATOM 0 HA SER A 86 -7.091 4.974 6.399 1.00 0.00 H new ATOM 0 HB2 SER A 86 -9.484 4.806 5.961 1.00 0.00 H new ATOM 0 HB3 SER A 86 -9.406 3.056 5.918 1.00 0.00 H new ATOM 0 HG SER A 86 -10.148 3.851 7.967 1.00 0.00 H new ATOM 1394 N ARG A 87 -6.320 1.875 6.021 1.00 0.00 N ATOM 1395 CA ARG A 87 -5.587 0.752 6.601 1.00 0.00 C ATOM 1396 C ARG A 87 -4.435 1.241 7.475 1.00 0.00 C ATOM 1397 O ARG A 87 -4.034 0.565 8.423 1.00 0.00 O ATOM 1398 CB ARG A 87 -5.060 -0.168 5.509 1.00 0.00 C ATOM 1399 CG ARG A 87 -5.042 -1.624 5.930 1.00 0.00 C ATOM 1400 CD ARG A 87 -6.227 -2.387 5.360 1.00 0.00 C ATOM 1401 NE ARG A 87 -7.465 -2.081 6.073 1.00 0.00 N ATOM 1402 CZ ARG A 87 -8.528 -2.882 6.096 1.00 0.00 C ATOM 1403 NH1 ARG A 87 -8.513 -4.038 5.443 1.00 0.00 N ATOM 1404 NH2 ARG A 87 -9.611 -2.526 6.773 1.00 0.00 N ATOM 0 H ARG A 87 -6.482 1.802 5.017 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.280 0.191 7.228 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.678 -0.059 4.618 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.051 0.140 5.236 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -4.115 -2.089 5.595 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.056 -1.689 7.018 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -6.345 -2.140 4.305 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.031 -3.458 5.416 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.518 -1.200 6.584 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -7.683 -4.317 4.919 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.331 -4.647 5.465 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.629 -1.639 7.276 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -10.426 -3.139 6.791 1.00 0.00 H new ATOM 1418 N ILE A 88 -3.916 2.424 7.160 1.00 0.00 N ATOM 1419 CA ILE A 88 -2.821 3.002 7.930 1.00 0.00 C ATOM 1420 C ILE A 88 -3.273 3.300 9.355 1.00 0.00 C ATOM 1421 O ILE A 88 -3.657 4.426 9.671 1.00 0.00 O ATOM 1422 CB ILE A 88 -2.295 4.301 7.285 1.00 0.00 C ATOM 1423 CG1 ILE A 88 -2.117 4.121 5.774 1.00 0.00 C ATOM 1424 CG2 ILE A 88 -0.981 4.720 7.930 1.00 0.00 C ATOM 1425 CD1 ILE A 88 -1.287 2.913 5.399 1.00 0.00 C ATOM 0 H ILE A 88 -4.235 2.999 6.380 1.00 0.00 H new ATOM 0 HA ILE A 88 -2.014 2.270 7.943 1.00 0.00 H new ATOM 0 HB ILE A 88 -3.030 5.089 7.451 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.099 4.034 5.309 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -1.648 5.015 5.363 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -0.623 5.638 7.464 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.137 4.891 8.995 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.241 3.931 7.793 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.205 2.851 4.314 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.292 3.006 5.834 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.766 2.010 5.779 1.00 0.00 H new ATOM 1437 N VAL A 89 -3.237 2.281 10.208 1.00 0.00 N ATOM 1438 CA VAL A 89 -3.655 2.432 11.596 1.00 0.00 C ATOM 1439 C VAL A 89 -2.674 3.290 12.386 1.00 0.00 C ATOM 1440 O VAL A 89 -1.473 3.290 12.117 1.00 0.00 O ATOM 1441 CB VAL A 89 -3.797 1.064 12.291 1.00 0.00 C ATOM 1442 CG1 VAL A 89 -4.420 1.227 13.670 1.00 0.00 C ATOM 1443 CG2 VAL A 89 -4.620 0.113 11.436 1.00 0.00 C ATOM 0 H VAL A 89 -2.923 1.342 9.962 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.625 2.928 11.576 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.802 0.636 12.415 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.512 0.250 14.145 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.787 1.870 14.282 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -5.408 1.678 13.572 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.709 -0.848 11.943 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.613 0.533 11.277 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -4.128 -0.029 10.474 1.00 0.00 H new ATOM 1453 N THR A 90 -3.198 4.019 13.366 1.00 0.00 N ATOM 1454 CA THR A 90 -2.379 4.884 14.205 1.00 0.00 C ATOM 1455 C THR A 90 -2.824 4.793 15.661 1.00 0.00 C ATOM 1456 O THR A 90 -3.774 5.459 16.071 1.00 0.00 O ATOM 1457 CB THR A 90 -2.470 6.333 13.723 1.00 0.00 C ATOM 1458 OG1 THR A 90 -1.751 7.195 14.587 1.00 0.00 O ATOM 1459 CG2 THR A 90 -3.891 6.849 13.641 1.00 0.00 C ATOM 0 H THR A 90 -4.191 4.027 13.599 1.00 0.00 H new ATOM 0 HA THR A 90 -1.344 4.551 14.133 1.00 0.00 H new ATOM 0 HB THR A 90 -2.042 6.331 12.720 1.00 0.00 H new ATOM 0 HG1 THR A 90 -1.820 8.117 14.261 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.884 7.882 13.293 1.00 0.00 H new ATOM 0 HG22 THR A 90 -4.461 6.235 12.944 1.00 0.00 H new ATOM 0 HG23 THR A 90 -4.353 6.802 14.627 1.00 0.00 H new ATOM 1467 N LEU A 91 -2.135 3.963 16.437 1.00 0.00 N ATOM 1468 CA LEU A 91 -2.469 3.786 17.845 1.00 0.00 C ATOM 1469 C LEU A 91 -1.440 4.468 18.742 1.00 0.00 C ATOM 1470 O LEU A 91 -0.247 4.172 18.672 1.00 0.00 O ATOM 1471 CB LEU A 91 -2.562 2.297 18.185 1.00 0.00 C ATOM 1472 CG LEU A 91 -3.979 1.721 18.187 1.00 0.00 C ATOM 1473 CD1 LEU A 91 -4.328 1.157 16.819 1.00 0.00 C ATOM 1474 CD2 LEU A 91 -4.118 0.651 19.259 1.00 0.00 C ATOM 0 H LEU A 91 -1.344 3.404 16.116 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.438 4.252 18.024 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.960 1.738 17.469 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.119 2.136 19.168 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.678 2.526 18.414 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -5.340 0.752 16.840 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.270 1.950 16.073 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.625 0.365 16.562 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.132 0.252 19.246 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -3.409 -0.154 19.064 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.912 1.087 20.237 1.00 0.00 H new ATOM 1486 N ARG A 92 -1.913 5.380 19.585 1.00 0.00 N ATOM 1487 CA ARG A 92 -1.036 6.105 20.498 1.00 0.00 C ATOM 1488 C ARG A 92 -0.582 5.204 21.643 1.00 0.00 C ATOM 1489 O ARG A 92 -1.116 5.273 22.750 1.00 0.00 O ATOM 1490 CB ARG A 92 -1.750 7.339 21.055 1.00 0.00 C ATOM 1491 CG ARG A 92 -3.144 7.049 21.587 1.00 0.00 C ATOM 1492 CD ARG A 92 -3.669 8.199 22.431 1.00 0.00 C ATOM 1493 NE ARG A 92 -4.922 7.859 23.102 1.00 0.00 N ATOM 1494 CZ ARG A 92 -4.994 7.128 24.213 1.00 0.00 C ATOM 1495 NH1 ARG A 92 -3.889 6.664 24.783 1.00 0.00 N ATOM 1496 NH2 ARG A 92 -6.174 6.862 24.755 1.00 0.00 N ATOM 0 H ARG A 92 -2.898 5.635 19.655 1.00 0.00 H new ATOM 0 HA ARG A 92 -0.156 6.426 19.940 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -1.147 7.767 21.856 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -1.819 8.093 20.271 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -3.823 6.869 20.753 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -3.124 6.137 22.184 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -2.922 8.473 23.176 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -3.823 9.073 21.798 1.00 0.00 H new ATOM 0 HE ARG A 92 -5.793 8.202 22.696 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -2.979 6.867 24.370 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -3.950 6.105 25.634 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -7.026 7.217 24.321 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -6.230 6.302 25.606 1.00 0.00 H new ATOM 1510 N GLY A 93 0.405 4.360 21.366 1.00 0.00 N ATOM 1511 CA GLY A 93 0.915 3.455 22.380 1.00 0.00 C ATOM 1512 C GLY A 93 1.615 2.252 21.781 1.00 0.00 C ATOM 1513 O GLY A 93 2.494 1.660 22.408 1.00 0.00 O ATOM 0 H GLY A 93 0.862 4.286 20.457 1.00 0.00 H new ATOM 0 HA2 GLY A 93 1.610 3.992 23.026 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.091 3.117 23.009 1.00 0.00 H new ATOM 1517 N VAL A 94 1.225 1.889 20.564 1.00 0.00 N ATOM 1518 CA VAL A 94 1.821 0.750 19.878 1.00 0.00 C ATOM 1519 C VAL A 94 2.554 1.192 18.615 1.00 0.00 C ATOM 1520 O VAL A 94 3.633 0.688 18.303 1.00 0.00 O ATOM 1521 CB VAL A 94 0.758 -0.305 19.509 1.00 0.00 C ATOM 1522 CG1 VAL A 94 -0.282 0.283 18.568 1.00 0.00 C ATOM 1523 CG2 VAL A 94 1.411 -1.532 18.892 1.00 0.00 C ATOM 0 H VAL A 94 0.498 2.368 20.032 1.00 0.00 H new ATOM 0 HA VAL A 94 2.536 0.302 20.568 1.00 0.00 H new ATOM 0 HB VAL A 94 0.251 -0.612 20.424 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -1.021 -0.479 18.321 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -0.776 1.125 19.052 1.00 0.00 H new ATOM 0 HG13 VAL A 94 0.205 0.625 17.655 1.00 0.00 H new ATOM 0 HG21 VAL A 94 0.644 -2.264 18.639 1.00 0.00 H new ATOM 0 HG22 VAL A 94 1.949 -1.243 17.989 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.109 -1.970 19.605 1.00 0.00 H new ATOM 1533 N GLY A 95 1.963 2.140 17.892 1.00 0.00 N ATOM 1534 CA GLY A 95 2.579 2.634 16.674 1.00 0.00 C ATOM 1535 C GLY A 95 1.709 2.422 15.452 1.00 0.00 C ATOM 1536 O GLY A 95 0.607 1.882 15.551 1.00 0.00 O ATOM 0 H GLY A 95 1.070 2.574 18.128 1.00 0.00 H new ATOM 0 HA2 GLY A 95 2.791 3.698 16.784 1.00 0.00 H new ATOM 0 HA3 GLY A 95 3.535 2.132 16.526 1.00 0.00 H new ATOM 1540 N TYR A 96 2.206 2.850 14.297 1.00 0.00 N ATOM 1541 CA TYR A 96 1.469 2.707 13.048 1.00 0.00 C ATOM 1542 C TYR A 96 1.397 1.244 12.626 1.00 0.00 C ATOM 1543 O TYR A 96 2.412 0.548 12.586 1.00 0.00 O ATOM 1544 CB TYR A 96 2.133 3.536 11.945 1.00 0.00 C ATOM 1545 CG TYR A 96 1.451 4.861 11.685 1.00 0.00 C ATOM 1546 CD1 TYR A 96 1.013 5.655 12.737 1.00 0.00 C ATOM 1547 CD2 TYR A 96 1.249 5.317 10.389 1.00 0.00 C ATOM 1548 CE1 TYR A 96 0.392 6.867 12.504 1.00 0.00 C ATOM 1549 CE2 TYR A 96 0.629 6.529 10.148 1.00 0.00 C ATOM 1550 CZ TYR A 96 0.203 7.300 11.209 1.00 0.00 C ATOM 1551 OH TYR A 96 -0.415 8.506 10.973 1.00 0.00 O ATOM 0 H TYR A 96 3.117 3.299 14.200 1.00 0.00 H new ATOM 0 HA TYR A 96 0.454 3.071 13.207 1.00 0.00 H new ATOM 0 HB2 TYR A 96 3.172 3.720 12.217 1.00 0.00 H new ATOM 0 HB3 TYR A 96 2.143 2.955 11.023 1.00 0.00 H new ATOM 0 HD1 TYR A 96 1.160 5.320 13.753 1.00 0.00 H new ATOM 0 HD2 TYR A 96 1.582 4.715 9.556 1.00 0.00 H new ATOM 0 HE1 TYR A 96 0.056 7.473 13.333 1.00 0.00 H new ATOM 0 HE2 TYR A 96 0.479 6.870 9.134 1.00 0.00 H new ATOM 0 HH TYR A 96 -0.469 8.663 10.007 1.00 0.00 H new ATOM 1561 N LEU A 97 0.192 0.783 12.310 1.00 0.00 N ATOM 1562 CA LEU A 97 -0.009 -0.599 11.889 1.00 0.00 C ATOM 1563 C LEU A 97 -0.860 -0.666 10.625 1.00 0.00 C ATOM 1564 O LEU A 97 -1.836 0.069 10.482 1.00 0.00 O ATOM 1565 CB LEU A 97 -0.673 -1.404 13.007 1.00 0.00 C ATOM 1566 CG LEU A 97 -0.741 -2.913 12.764 1.00 0.00 C ATOM 1567 CD1 LEU A 97 -0.614 -3.672 14.076 1.00 0.00 C ATOM 1568 CD2 LEU A 97 -2.036 -3.281 12.056 1.00 0.00 C ATOM 0 H LEU A 97 -0.659 1.345 12.337 1.00 0.00 H new ATOM 0 HA LEU A 97 0.968 -1.030 11.671 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.130 -1.225 13.935 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -1.686 -1.029 13.152 1.00 0.00 H new ATOM 0 HG LEU A 97 0.094 -3.196 12.123 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.665 -4.744 13.883 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.341 -3.432 14.544 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.427 -3.385 14.743 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.067 -4.358 11.891 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.885 -2.983 12.672 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.085 -2.766 11.097 1.00 0.00 H new ATOM 1580 N PHE A 98 -0.482 -1.554 9.712 1.00 0.00 N ATOM 1581 CA PHE A 98 -1.209 -1.721 8.460 1.00 0.00 C ATOM 1582 C PHE A 98 -2.134 -2.932 8.533 1.00 0.00 C ATOM 1583 O PHE A 98 -1.898 -3.950 7.881 1.00 0.00 O ATOM 1584 CB PHE A 98 -0.226 -1.875 7.296 1.00 0.00 C ATOM 1585 CG PHE A 98 -0.869 -1.760 5.944 1.00 0.00 C ATOM 1586 CD1 PHE A 98 -1.271 -0.527 5.456 1.00 0.00 C ATOM 1587 CD2 PHE A 98 -1.068 -2.884 5.159 1.00 0.00 C ATOM 1588 CE1 PHE A 98 -1.860 -0.417 4.211 1.00 0.00 C ATOM 1589 CE2 PHE A 98 -1.658 -2.781 3.913 1.00 0.00 C ATOM 1590 CZ PHE A 98 -2.054 -1.546 3.439 1.00 0.00 C ATOM 0 H PHE A 98 0.325 -2.170 9.816 1.00 0.00 H new ATOM 0 HA PHE A 98 -1.818 -0.833 8.293 1.00 0.00 H new ATOM 0 HB2 PHE A 98 0.551 -1.115 7.385 1.00 0.00 H new ATOM 0 HB3 PHE A 98 0.266 -2.845 7.373 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -1.122 0.359 6.056 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -0.759 -3.852 5.525 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -2.168 0.550 3.842 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -1.809 -3.665 3.311 1.00 0.00 H new ATOM 0 HZ PHE A 98 -2.515 -1.463 2.466 1.00 0.00 H new ATOM 1600 N SER A 99 -3.188 -2.815 9.336 1.00 0.00 N ATOM 1601 CA SER A 99 -4.152 -3.898 9.504 1.00 0.00 C ATOM 1602 C SER A 99 -4.771 -4.297 8.169 1.00 0.00 C ATOM 1603 O SER A 99 -5.733 -3.681 7.711 1.00 0.00 O ATOM 1604 CB SER A 99 -5.252 -3.480 10.482 1.00 0.00 C ATOM 1605 OG SER A 99 -4.764 -3.433 11.812 1.00 0.00 O ATOM 0 H SER A 99 -3.396 -1.979 9.882 1.00 0.00 H new ATOM 0 HA SER A 99 -3.620 -4.760 9.906 1.00 0.00 H new ATOM 0 HB2 SER A 99 -5.641 -2.502 10.200 1.00 0.00 H new ATOM 0 HB3 SER A 99 -6.083 -4.183 10.421 1.00 0.00 H new ATOM 0 HG SER A 99 -5.486 -3.162 12.416 1.00 0.00 H new