USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 622 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 23 CYS SG : rot -179:sc= -0.731 USER MOD Set 1.2: A 26 CYS SG : rot 180:sc= -0.233 USER MOD Set 1.3: A 28 SER OG : rot 78:sc= 1.08 USER MOD Set 1.4: A 54 ASN : amide:sc= -3.19! C(o=-9.8!,f=-12!) USER MOD Set 1.5: A 55 HIS : no HE2:sc= -5.7! C(o=-9.8!,f=-12!) USER MOD Set 1.6: A 58 CYS SG : rot -70:sc= -1.01 USER MOD Single : A 9 LYS NZ :NH3+ 163:sc= -0.0486 (180deg=-0.338) USER MOD Single : A 15 TYR OH : rot 54:sc= 0.356 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 113:sc= -0.563 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.032) USER MOD Single : A 25 THR OG1 : rot 167:sc= -0.295 USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= -0.0527 (180deg=-0.362) USER MOD Single : A 31 ASN : amide:sc= -0.302 X(o=-0.3,f=-0.3) USER MOD Single : A 32 LYS NZ :NH3+ -161:sc= -0.0132 (180deg=-0.181) USER MOD Single : A 34 ASN : amide:sc= 0.519 K(o=0.52,f=-0.1) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 152:sc= -0.345 (180deg=-1.18) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.385) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.557 K(o=-0.56,f=-1.1) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0.178 K(o=0.18,f=-0.85) USER MOD Single : A 84 GLN : amide:sc= -0.644 K(o=-0.64,f=-1.6!) USER MOD Single : A 85 LYS NZ :NH3+ 177:sc= 0.0881 (180deg=0.0854) USER MOD Single : A 88 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.492) USER MOD Single : A 89 TYR OH : rot 8:sc= 0.392 USER MOD ----------------------------------------------------------------- ATOM 83 N LYS A 9 9.701 11.680 3.844 1.00 0.00 N ATOM 84 CA LYS A 9 9.829 10.658 2.812 1.00 0.00 C ATOM 85 C LYS A 9 8.785 10.855 1.718 1.00 0.00 C ATOM 86 O LYS A 9 7.644 11.237 1.978 1.00 0.00 O ATOM 87 CB LYS A 9 9.684 9.263 3.425 1.00 0.00 C ATOM 88 CG LYS A 9 10.991 8.684 3.936 1.00 0.00 C ATOM 89 CD LYS A 9 10.757 7.665 5.039 1.00 0.00 C ATOM 90 CE LYS A 9 12.066 7.205 5.661 1.00 0.00 C ATOM 91 NZ LYS A 9 12.781 8.322 6.338 1.00 0.00 N ATOM 0 HA LYS A 9 10.819 10.751 2.366 1.00 0.00 H new ATOM 0 HB2 LYS A 9 8.971 9.309 4.248 1.00 0.00 H new ATOM 0 HB3 LYS A 9 9.265 8.589 2.678 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.528 8.213 3.112 1.00 0.00 H new ATOM 0 HG3 LYS A 9 11.624 9.488 4.311 1.00 0.00 H new ATOM 0 HD2 LYS A 9 10.121 8.101 5.809 1.00 0.00 H new ATOM 0 HD3 LYS A 9 10.224 6.805 4.634 1.00 0.00 H new ATOM 0 HE2 LYS A 9 11.867 6.412 6.382 1.00 0.00 H new ATOM 0 HE3 LYS A 9 12.706 6.780 4.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.499 7.934 6.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.243 8.921 5.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.101 8.891 6.881 1.00 0.00 H new ATOM 105 N PRO A 10 9.181 10.588 0.465 1.00 0.00 N ATOM 106 CA PRO A 10 8.294 10.727 -0.693 1.00 0.00 C ATOM 107 C PRO A 10 7.194 9.670 -0.711 1.00 0.00 C ATOM 108 O PRO A 10 6.069 9.939 -1.131 1.00 0.00 O ATOM 109 CB PRO A 10 9.234 10.541 -1.886 1.00 0.00 C ATOM 110 CG PRO A 10 10.360 9.722 -1.356 1.00 0.00 C ATOM 111 CD PRO A 10 10.527 10.129 0.082 1.00 0.00 C ATOM 0 HA PRO A 10 7.770 11.683 -0.692 1.00 0.00 H new ATOM 0 HB2 PRO A 10 8.731 10.036 -2.711 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.586 11.500 -2.266 1.00 0.00 H new ATOM 0 HG2 PRO A 10 10.140 8.657 -1.437 1.00 0.00 H new ATOM 0 HG3 PRO A 10 11.274 9.903 -1.921 1.00 0.00 H new ATOM 0 HD2 PRO A 10 10.858 9.294 0.700 1.00 0.00 H new ATOM 0 HD3 PRO A 10 11.268 10.921 0.192 1.00 0.00 H new ATOM 119 N TRP A 11 7.528 8.469 -0.253 1.00 0.00 N ATOM 120 CA TRP A 11 6.568 7.372 -0.217 1.00 0.00 C ATOM 121 C TRP A 11 6.334 6.900 1.214 1.00 0.00 C ATOM 122 O TRP A 11 7.212 7.023 2.069 1.00 0.00 O ATOM 123 CB TRP A 11 7.060 6.207 -1.077 1.00 0.00 C ATOM 124 CG TRP A 11 7.097 6.524 -2.541 1.00 0.00 C ATOM 125 CD1 TRP A 11 8.172 6.970 -3.257 1.00 0.00 C ATOM 126 CD2 TRP A 11 6.010 6.421 -3.468 1.00 0.00 C ATOM 127 NE1 TRP A 11 7.818 7.150 -4.572 1.00 0.00 N ATOM 128 CE2 TRP A 11 6.498 6.819 -4.728 1.00 0.00 C ATOM 129 CE3 TRP A 11 4.674 6.029 -3.356 1.00 0.00 C ATOM 130 CZ2 TRP A 11 5.695 6.837 -5.865 1.00 0.00 C ATOM 131 CZ3 TRP A 11 3.878 6.048 -4.486 1.00 0.00 C ATOM 132 CH2 TRP A 11 4.390 6.449 -5.727 1.00 0.00 C ATOM 0 H TRP A 11 8.455 8.230 0.098 1.00 0.00 H new ATOM 0 HA TRP A 11 5.623 7.737 -0.619 1.00 0.00 H new ATOM 0 HB2 TRP A 11 8.059 5.920 -0.749 1.00 0.00 H new ATOM 0 HB3 TRP A 11 6.411 5.346 -0.915 1.00 0.00 H new ATOM 0 HD1 TRP A 11 9.155 7.154 -2.849 1.00 0.00 H new ATOM 0 HE1 TRP A 11 8.438 7.477 -5.313 1.00 0.00 H new ATOM 0 HE3 TRP A 11 4.270 5.717 -2.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 6.088 7.146 -6.822 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.843 5.748 -4.411 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.742 6.452 -6.591 1.00 0.00 H new ATOM 143 N ARG A 12 5.147 6.360 1.468 1.00 0.00 N ATOM 144 CA ARG A 12 4.799 5.871 2.797 1.00 0.00 C ATOM 145 C ARG A 12 4.286 4.435 2.731 1.00 0.00 C ATOM 146 O ARG A 12 3.761 4.000 1.706 1.00 0.00 O ATOM 147 CB ARG A 12 3.740 6.773 3.435 1.00 0.00 C ATOM 148 CG ARG A 12 2.428 6.808 2.669 1.00 0.00 C ATOM 149 CD ARG A 12 1.267 7.196 3.570 1.00 0.00 C ATOM 150 NE ARG A 12 1.044 8.640 3.584 1.00 0.00 N ATOM 151 CZ ARG A 12 0.348 9.267 4.526 1.00 0.00 C ATOM 152 NH1 ARG A 12 -0.190 8.581 5.525 1.00 0.00 N ATOM 153 NH2 ARG A 12 0.189 10.583 4.470 1.00 0.00 N ATOM 0 H ARG A 12 4.410 6.250 0.771 1.00 0.00 H new ATOM 0 HA ARG A 12 5.700 5.889 3.411 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.548 6.431 4.452 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.135 7.786 3.509 1.00 0.00 H new ATOM 0 HG2 ARG A 12 2.505 7.519 1.846 1.00 0.00 H new ATOM 0 HG3 ARG A 12 2.237 5.830 2.228 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.361 6.693 3.232 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.464 6.850 4.585 1.00 0.00 H new ATOM 0 HE ARG A 12 1.445 9.197 2.829 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.070 7.569 5.572 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.724 9.065 6.247 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.601 11.114 3.703 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.346 11.063 5.194 1.00 0.00 H new ATOM 167 N ALA A 13 4.442 3.705 3.830 1.00 0.00 N ATOM 168 CA ALA A 13 3.994 2.320 3.897 1.00 0.00 C ATOM 169 C ALA A 13 3.233 2.051 5.191 1.00 0.00 C ATOM 170 O ALA A 13 3.744 2.294 6.283 1.00 0.00 O ATOM 171 CB ALA A 13 5.180 1.374 3.774 1.00 0.00 C ATOM 0 H ALA A 13 4.875 4.050 4.686 1.00 0.00 H new ATOM 0 HA ALA A 13 3.315 2.144 3.063 1.00 0.00 H new ATOM 0 HB1 ALA A 13 4.830 0.343 3.826 1.00 0.00 H new ATOM 0 HB2 ALA A 13 5.680 1.540 2.820 1.00 0.00 H new ATOM 0 HB3 ALA A 13 5.880 1.561 4.588 1.00 0.00 H new ATOM 177 N GLU A 14 2.010 1.548 5.059 1.00 0.00 N ATOM 178 CA GLU A 14 1.179 1.249 6.219 1.00 0.00 C ATOM 179 C GLU A 14 -0.105 0.537 5.800 1.00 0.00 C ATOM 180 O GLU A 14 -0.641 0.786 4.721 1.00 0.00 O ATOM 181 CB GLU A 14 0.838 2.534 6.976 1.00 0.00 C ATOM 182 CG GLU A 14 0.039 3.531 6.154 1.00 0.00 C ATOM 183 CD GLU A 14 -0.093 4.878 6.838 1.00 0.00 C ATOM 184 OE1 GLU A 14 -0.447 4.903 8.035 1.00 0.00 O ATOM 185 OE2 GLU A 14 0.157 5.907 6.176 1.00 0.00 O ATOM 0 H GLU A 14 1.573 1.339 4.161 1.00 0.00 H new ATOM 0 HA GLU A 14 1.743 0.588 6.876 1.00 0.00 H new ATOM 0 HB2 GLU A 14 0.272 2.279 7.872 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.763 3.007 7.307 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.520 3.665 5.185 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.955 3.126 5.963 1.00 0.00 H new ATOM 192 N TYR A 15 -0.590 -0.350 6.662 1.00 0.00 N ATOM 193 CA TYR A 15 -1.808 -1.101 6.380 1.00 0.00 C ATOM 194 C TYR A 15 -3.045 -0.239 6.614 1.00 0.00 C ATOM 195 O TYR A 15 -3.231 0.320 7.695 1.00 0.00 O ATOM 196 CB TYR A 15 -1.873 -2.354 7.255 1.00 0.00 C ATOM 197 CG TYR A 15 -0.858 -3.409 6.878 1.00 0.00 C ATOM 198 CD1 TYR A 15 -1.138 -4.349 5.893 1.00 0.00 C ATOM 199 CD2 TYR A 15 0.379 -3.468 7.506 1.00 0.00 C ATOM 200 CE1 TYR A 15 -0.214 -5.315 5.545 1.00 0.00 C ATOM 201 CE2 TYR A 15 1.309 -4.430 7.164 1.00 0.00 C ATOM 202 CZ TYR A 15 1.008 -5.352 6.183 1.00 0.00 C ATOM 203 OH TYR A 15 1.931 -6.312 5.840 1.00 0.00 O ATOM 0 H TYR A 15 -0.159 -0.566 7.561 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.787 -1.399 5.332 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.719 -2.069 8.296 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -2.873 -2.783 7.187 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -2.094 -4.324 5.391 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.618 -2.749 8.275 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -0.447 -6.038 4.777 1.00 0.00 H new ATOM 0 HE2 TYR A 15 2.267 -4.460 7.662 1.00 0.00 H new ATOM 0 HH TYR A 15 2.091 -6.281 4.874 1.00 0.00 H new ATOM 213 N ALA A 16 -3.889 -0.137 5.592 1.00 0.00 N ATOM 214 CA ALA A 16 -5.110 0.653 5.685 1.00 0.00 C ATOM 215 C ALA A 16 -5.986 0.177 6.839 1.00 0.00 C ATOM 216 O ALA A 16 -6.127 -1.024 7.070 1.00 0.00 O ATOM 217 CB ALA A 16 -5.880 0.591 4.375 1.00 0.00 C ATOM 0 H ALA A 16 -3.749 -0.592 4.690 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.829 1.688 5.880 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.790 1.186 4.459 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -5.261 0.987 3.570 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.142 -0.444 4.156 1.00 0.00 H new ATOM 223 N LYS A 17 -6.572 1.125 7.562 1.00 0.00 N ATOM 224 CA LYS A 17 -7.435 0.803 8.692 1.00 0.00 C ATOM 225 C LYS A 17 -8.901 1.037 8.341 1.00 0.00 C ATOM 226 O LYS A 17 -9.703 1.408 9.198 1.00 0.00 O ATOM 227 CB LYS A 17 -7.050 1.645 9.910 1.00 0.00 C ATOM 228 CG LYS A 17 -5.608 1.458 10.348 1.00 0.00 C ATOM 229 CD LYS A 17 -5.399 1.902 11.786 1.00 0.00 C ATOM 230 CE LYS A 17 -3.934 1.825 12.186 1.00 0.00 C ATOM 231 NZ LYS A 17 -3.606 2.781 13.280 1.00 0.00 N ATOM 0 H LYS A 17 -6.465 2.124 7.385 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.301 -0.252 8.931 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -7.218 2.697 9.681 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.709 1.390 10.740 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.329 0.409 10.246 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.951 2.028 9.691 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.757 2.924 11.908 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.992 1.275 12.451 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.698 0.811 12.508 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.309 2.038 11.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.598 2.697 13.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.807 3.752 12.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.184 2.562 14.117 1.00 0.00 H new ATOM 245 N SER A 18 -9.245 0.818 7.076 1.00 0.00 N ATOM 246 CA SER A 18 -10.614 1.008 6.611 1.00 0.00 C ATOM 247 C SER A 18 -10.758 0.580 5.154 1.00 0.00 C ATOM 248 O SER A 18 -9.799 0.120 4.533 1.00 0.00 O ATOM 249 CB SER A 18 -11.029 2.472 6.768 1.00 0.00 C ATOM 250 OG SER A 18 -12.427 2.587 6.970 1.00 0.00 O ATOM 0 H SER A 18 -8.594 0.509 6.354 1.00 0.00 H new ATOM 0 HA SER A 18 -11.268 0.384 7.220 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.499 2.915 7.611 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.739 3.033 5.879 1.00 0.00 H new ATOM 0 HG SER A 18 -12.667 3.532 7.069 1.00 0.00 H new ATOM 256 N SER A 19 -11.963 0.735 4.615 1.00 0.00 N ATOM 257 CA SER A 19 -12.235 0.361 3.232 1.00 0.00 C ATOM 258 C SER A 19 -12.890 1.513 2.476 1.00 0.00 C ATOM 259 O SER A 19 -13.590 1.301 1.486 1.00 0.00 O ATOM 260 CB SER A 19 -13.136 -0.875 3.183 1.00 0.00 C ATOM 261 OG SER A 19 -12.730 -1.840 4.137 1.00 0.00 O ATOM 0 H SER A 19 -12.766 1.117 5.115 1.00 0.00 H new ATOM 0 HA SER A 19 -11.285 0.128 2.751 1.00 0.00 H new ATOM 0 HB2 SER A 19 -14.169 -0.584 3.373 1.00 0.00 H new ATOM 0 HB3 SER A 19 -13.106 -1.311 2.185 1.00 0.00 H new ATOM 0 HG SER A 19 -13.322 -2.619 4.087 1.00 0.00 H new ATOM 267 N ARG A 20 -12.658 2.732 2.952 1.00 0.00 N ATOM 268 CA ARG A 20 -13.226 3.918 2.323 1.00 0.00 C ATOM 269 C ARG A 20 -12.346 4.399 1.173 1.00 0.00 C ATOM 270 O ARG A 20 -12.842 4.749 0.103 1.00 0.00 O ATOM 271 CB ARG A 20 -13.394 5.036 3.354 1.00 0.00 C ATOM 272 CG ARG A 20 -14.559 4.819 4.305 1.00 0.00 C ATOM 273 CD ARG A 20 -15.146 6.139 4.778 1.00 0.00 C ATOM 274 NE ARG A 20 -14.120 7.039 5.299 1.00 0.00 N ATOM 275 CZ ARG A 20 -13.571 6.909 6.502 1.00 0.00 C ATOM 276 NH1 ARG A 20 -13.946 5.921 7.303 1.00 0.00 N ATOM 277 NH2 ARG A 20 -12.643 7.768 6.905 1.00 0.00 N ATOM 0 H ARG A 20 -12.081 2.924 3.771 1.00 0.00 H new ATOM 0 HA ARG A 20 -14.204 3.653 1.921 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -12.475 5.125 3.933 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -13.534 5.982 2.831 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -15.332 4.234 3.807 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -14.225 4.239 5.165 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -15.666 6.622 3.950 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -15.889 5.949 5.553 1.00 0.00 H new ATOM 0 HE ARG A 20 -13.808 7.809 4.707 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -14.658 5.258 6.996 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -13.523 5.824 8.226 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.351 8.528 6.291 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.222 7.668 7.829 1.00 0.00 H new ATOM 291 N SER A 21 -11.037 4.414 1.404 1.00 0.00 N ATOM 292 CA SER A 21 -10.088 4.855 0.389 1.00 0.00 C ATOM 293 C SER A 21 -10.124 3.935 -0.827 1.00 0.00 C ATOM 294 O SER A 21 -10.368 2.734 -0.703 1.00 0.00 O ATOM 295 CB SER A 21 -8.672 4.898 0.968 1.00 0.00 C ATOM 296 OG SER A 21 -8.158 3.590 1.154 1.00 0.00 O ATOM 0 H SER A 21 -10.610 4.126 2.284 1.00 0.00 H new ATOM 0 HA SER A 21 -10.374 5.858 0.072 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.019 5.457 0.298 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.681 5.428 1.921 1.00 0.00 H new ATOM 0 HG SER A 21 -7.412 3.441 0.537 1.00 0.00 H new ATOM 302 N SER A 22 -9.880 4.506 -2.002 1.00 0.00 N ATOM 303 CA SER A 22 -9.888 3.739 -3.242 1.00 0.00 C ATOM 304 C SER A 22 -8.662 4.062 -4.089 1.00 0.00 C ATOM 305 O SER A 22 -8.316 5.228 -4.284 1.00 0.00 O ATOM 306 CB SER A 22 -11.163 4.029 -4.037 1.00 0.00 C ATOM 307 OG SER A 22 -12.315 3.886 -3.225 1.00 0.00 O ATOM 0 H SER A 22 -9.674 5.498 -2.121 1.00 0.00 H new ATOM 0 HA SER A 22 -9.861 2.680 -2.986 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.122 5.041 -4.440 1.00 0.00 H new ATOM 0 HB3 SER A 22 -11.227 3.350 -4.887 1.00 0.00 H new ATOM 0 HG SER A 22 -13.116 4.078 -3.756 1.00 0.00 H new ATOM 313 N CYS A 23 -8.006 3.021 -4.592 1.00 0.00 N ATOM 314 CA CYS A 23 -6.818 3.191 -5.418 1.00 0.00 C ATOM 315 C CYS A 23 -7.101 4.122 -6.594 1.00 0.00 C ATOM 316 O CYS A 23 -8.254 4.332 -6.970 1.00 0.00 O ATOM 317 CB CYS A 23 -6.330 1.835 -5.933 1.00 0.00 C ATOM 318 SG CYS A 23 -4.804 1.921 -6.924 1.00 0.00 S ATOM 0 H CYS A 23 -8.278 2.050 -4.441 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.039 3.640 -4.801 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -6.161 1.175 -5.082 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -7.117 1.383 -6.536 1.00 0.00 H new ATOM 0 HG CYS A 23 -4.480 0.728 -7.326 1.00 0.00 H new ATOM 323 N LYS A 24 -6.041 4.678 -7.170 1.00 0.00 N ATOM 324 CA LYS A 24 -6.173 5.585 -8.304 1.00 0.00 C ATOM 325 C LYS A 24 -5.687 4.924 -9.590 1.00 0.00 C ATOM 326 O LYS A 24 -6.206 5.192 -10.674 1.00 0.00 O ATOM 327 CB LYS A 24 -5.384 6.871 -8.049 1.00 0.00 C ATOM 328 CG LYS A 24 -5.820 7.615 -6.799 1.00 0.00 C ATOM 329 CD LYS A 24 -6.970 8.565 -7.088 1.00 0.00 C ATOM 330 CE LYS A 24 -7.301 9.423 -5.877 1.00 0.00 C ATOM 331 NZ LYS A 24 -7.810 8.606 -4.740 1.00 0.00 N ATOM 0 H LYS A 24 -5.080 4.516 -6.870 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.229 5.830 -8.420 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.325 6.627 -7.965 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.492 7.530 -8.910 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.122 6.899 -6.035 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.977 8.175 -6.395 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.711 9.207 -7.930 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.850 7.994 -7.382 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.410 9.967 -5.563 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.048 10.167 -6.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.104 9.234 -3.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.624 8.041 -5.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.058 7.971 -4.405 1.00 0.00 H new ATOM 345 N THR A 25 -4.688 4.056 -9.462 1.00 0.00 N ATOM 346 CA THR A 25 -4.132 3.356 -10.614 1.00 0.00 C ATOM 347 C THR A 25 -5.157 2.412 -11.231 1.00 0.00 C ATOM 348 O THR A 25 -5.270 2.315 -12.454 1.00 0.00 O ATOM 349 CB THR A 25 -2.876 2.551 -10.229 1.00 0.00 C ATOM 350 OG1 THR A 25 -1.747 3.425 -10.122 1.00 0.00 O ATOM 351 CG2 THR A 25 -2.591 1.469 -11.259 1.00 0.00 C ATOM 0 H THR A 25 -4.248 3.821 -8.573 1.00 0.00 H new ATOM 0 HA THR A 25 -3.858 4.117 -11.344 1.00 0.00 H new ATOM 0 HB THR A 25 -3.058 2.075 -9.266 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.010 2.954 -9.680 1.00 0.00 H new ATOM 0 HG21 THR A 25 -1.700 0.914 -10.966 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.440 0.788 -11.316 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.428 1.929 -12.234 1.00 0.00 H new ATOM 359 N CYS A 26 -5.904 1.718 -10.379 1.00 0.00 N ATOM 360 CA CYS A 26 -6.922 0.782 -10.841 1.00 0.00 C ATOM 361 C CYS A 26 -8.323 1.323 -10.570 1.00 0.00 C ATOM 362 O CYS A 26 -9.304 0.853 -11.145 1.00 0.00 O ATOM 363 CB CYS A 26 -6.746 -0.574 -10.154 1.00 0.00 C ATOM 364 SG CYS A 26 -7.171 -0.572 -8.383 1.00 0.00 S ATOM 0 H CYS A 26 -5.823 1.786 -9.364 1.00 0.00 H new ATOM 0 HA CYS A 26 -6.802 0.656 -11.917 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -7.366 -1.311 -10.664 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -5.711 -0.895 -10.268 1.00 0.00 H new ATOM 0 HG CYS A 26 -6.991 -1.762 -7.892 1.00 0.00 H new ATOM 369 N LYS A 27 -8.407 2.315 -9.690 1.00 0.00 N ATOM 370 CA LYS A 27 -9.686 2.923 -9.342 1.00 0.00 C ATOM 371 C LYS A 27 -10.575 1.933 -8.597 1.00 0.00 C ATOM 372 O LYS A 27 -11.764 1.808 -8.891 1.00 0.00 O ATOM 373 CB LYS A 27 -10.400 3.416 -10.604 1.00 0.00 C ATOM 374 CG LYS A 27 -9.551 4.338 -11.462 1.00 0.00 C ATOM 375 CD LYS A 27 -8.737 3.558 -12.481 1.00 0.00 C ATOM 376 CE LYS A 27 -8.271 4.450 -13.622 1.00 0.00 C ATOM 377 NZ LYS A 27 -9.407 4.901 -14.472 1.00 0.00 N ATOM 0 H LYS A 27 -7.604 2.715 -9.205 1.00 0.00 H new ATOM 0 HA LYS A 27 -9.490 3.772 -8.687 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.702 2.555 -11.200 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.311 3.939 -10.315 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -10.194 5.051 -11.978 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.881 4.915 -10.825 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.872 3.110 -11.992 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.338 2.740 -12.879 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.754 5.319 -13.216 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -7.551 3.909 -14.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.051 5.174 -15.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.093 4.126 -14.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.871 5.718 -14.026 1.00 0.00 H new ATOM 391 N SER A 28 -9.991 1.232 -7.630 1.00 0.00 N ATOM 392 CA SER A 28 -10.730 0.251 -6.844 1.00 0.00 C ATOM 393 C SER A 28 -10.676 0.593 -5.359 1.00 0.00 C ATOM 394 O SER A 28 -9.984 1.525 -4.949 1.00 0.00 O ATOM 395 CB SER A 28 -10.164 -1.151 -7.077 1.00 0.00 C ATOM 396 OG SER A 28 -9.902 -1.374 -8.452 1.00 0.00 O ATOM 0 H SER A 28 -9.009 1.325 -7.372 1.00 0.00 H new ATOM 0 HA SER A 28 -11.771 0.273 -7.166 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.245 -1.275 -6.504 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.870 -1.897 -6.713 1.00 0.00 H new ATOM 0 HG SER A 28 -9.064 -0.931 -8.701 1.00 0.00 H new ATOM 402 N VAL A 29 -11.412 -0.168 -4.555 1.00 0.00 N ATOM 403 CA VAL A 29 -11.449 0.053 -3.115 1.00 0.00 C ATOM 404 C VAL A 29 -10.312 -0.685 -2.417 1.00 0.00 C ATOM 405 O VAL A 29 -10.001 -1.828 -2.754 1.00 0.00 O ATOM 406 CB VAL A 29 -12.790 -0.405 -2.510 1.00 0.00 C ATOM 407 CG1 VAL A 29 -12.596 -0.880 -1.079 1.00 0.00 C ATOM 408 CG2 VAL A 29 -13.813 0.719 -2.574 1.00 0.00 C ATOM 0 H VAL A 29 -11.991 -0.943 -4.877 1.00 0.00 H new ATOM 0 HA VAL A 29 -11.335 1.125 -2.957 1.00 0.00 H new ATOM 0 HB VAL A 29 -13.167 -1.243 -3.097 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -13.554 -1.199 -0.669 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -11.898 -1.717 -1.065 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -12.197 -0.065 -0.476 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -14.755 0.379 -2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -13.446 1.578 -2.012 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -13.973 1.007 -3.613 1.00 0.00 H new ATOM 418 N ILE A 30 -9.695 -0.025 -1.442 1.00 0.00 N ATOM 419 CA ILE A 30 -8.594 -0.619 -0.696 1.00 0.00 C ATOM 420 C ILE A 30 -9.056 -1.101 0.675 1.00 0.00 C ATOM 421 O ILE A 30 -9.003 -0.359 1.655 1.00 0.00 O ATOM 422 CB ILE A 30 -7.435 0.379 -0.513 1.00 0.00 C ATOM 423 CG1 ILE A 30 -6.859 0.780 -1.872 1.00 0.00 C ATOM 424 CG2 ILE A 30 -6.352 -0.223 0.370 1.00 0.00 C ATOM 425 CD1 ILE A 30 -6.122 2.101 -1.850 1.00 0.00 C ATOM 0 H ILE A 30 -9.940 0.921 -1.151 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.241 -1.470 -1.278 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.820 1.274 -0.024 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.179 -0.000 -2.214 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.670 0.837 -2.598 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.540 0.494 0.490 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -6.771 -0.463 1.347 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.968 -1.132 -0.094 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.741 2.322 -2.847 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -6.803 2.893 -1.539 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -5.290 2.042 -1.148 1.00 0.00 H new ATOM 437 N ASN A 31 -9.507 -2.350 0.736 1.00 0.00 N ATOM 438 CA ASN A 31 -9.977 -2.932 1.988 1.00 0.00 C ATOM 439 C ASN A 31 -8.904 -2.838 3.068 1.00 0.00 C ATOM 440 O ASN A 31 -7.716 -3.011 2.796 1.00 0.00 O ATOM 441 CB ASN A 31 -10.377 -4.394 1.776 1.00 0.00 C ATOM 442 CG ASN A 31 -11.150 -4.600 0.488 1.00 0.00 C ATOM 443 OD1 ASN A 31 -10.682 -5.277 -0.428 1.00 0.00 O ATOM 444 ND2 ASN A 31 -12.340 -4.017 0.412 1.00 0.00 N ATOM 0 H ASN A 31 -9.557 -2.978 -0.066 1.00 0.00 H new ATOM 0 HA ASN A 31 -10.849 -2.368 2.318 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -9.481 -5.015 1.762 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.983 -4.728 2.618 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -12.906 -4.121 -0.430 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -12.688 -3.465 1.196 1.00 0.00 H new ATOM 451 N LYS A 32 -9.331 -2.564 4.296 1.00 0.00 N ATOM 452 CA LYS A 32 -8.409 -2.449 5.420 1.00 0.00 C ATOM 453 C LYS A 32 -7.617 -3.739 5.608 1.00 0.00 C ATOM 454 O LYS A 32 -8.030 -4.803 5.149 1.00 0.00 O ATOM 455 CB LYS A 32 -9.174 -2.116 6.702 1.00 0.00 C ATOM 456 CG LYS A 32 -9.793 -3.330 7.374 1.00 0.00 C ATOM 457 CD LYS A 32 -11.163 -3.012 7.949 1.00 0.00 C ATOM 458 CE LYS A 32 -11.059 -2.458 9.362 1.00 0.00 C ATOM 459 NZ LYS A 32 -10.675 -3.511 10.343 1.00 0.00 N ATOM 0 H LYS A 32 -10.311 -2.417 4.538 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.709 -1.642 5.202 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.496 -1.629 7.403 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.961 -1.399 6.469 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.880 -4.142 6.652 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.136 -3.681 8.170 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.668 -2.288 7.309 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -11.775 -3.914 7.955 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.322 -1.655 9.384 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.015 -2.022 9.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.921 -3.197 11.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.185 -4.391 10.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.651 -3.681 10.286 1.00 0.00 H new ATOM 473 N GLU A 33 -6.478 -3.636 6.287 1.00 0.00 N ATOM 474 CA GLU A 33 -5.630 -4.795 6.535 1.00 0.00 C ATOM 475 C GLU A 33 -4.875 -5.198 5.272 1.00 0.00 C ATOM 476 O GLU A 33 -4.528 -6.364 5.089 1.00 0.00 O ATOM 477 CB GLU A 33 -6.471 -5.972 7.037 1.00 0.00 C ATOM 478 CG GLU A 33 -7.566 -5.566 8.009 1.00 0.00 C ATOM 479 CD GLU A 33 -7.855 -6.638 9.042 1.00 0.00 C ATOM 480 OE1 GLU A 33 -6.984 -6.880 9.904 1.00 0.00 O ATOM 481 OE2 GLU A 33 -8.951 -7.233 8.989 1.00 0.00 O ATOM 0 H GLU A 33 -6.122 -2.762 6.674 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.903 -4.524 7.301 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.923 -6.475 6.182 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -5.816 -6.695 7.522 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -7.274 -4.647 8.517 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.478 -5.347 7.453 1.00 0.00 H new ATOM 488 N ASN A 34 -4.625 -4.224 4.403 1.00 0.00 N ATOM 489 CA ASN A 34 -3.912 -4.476 3.156 1.00 0.00 C ATOM 490 C ASN A 34 -2.708 -3.548 3.020 1.00 0.00 C ATOM 491 O ASN A 34 -2.753 -2.391 3.438 1.00 0.00 O ATOM 492 CB ASN A 34 -4.850 -4.291 1.962 1.00 0.00 C ATOM 493 CG ASN A 34 -5.561 -5.575 1.580 1.00 0.00 C ATOM 494 OD1 ASN A 34 -4.925 -6.601 1.338 1.00 0.00 O ATOM 495 ND2 ASN A 34 -6.887 -5.523 1.525 1.00 0.00 N ATOM 0 H ASN A 34 -4.906 -3.253 4.539 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.554 -5.506 3.173 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.590 -3.526 2.200 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.279 -3.927 1.108 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.420 -6.356 1.274 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.372 -4.650 1.734 1.00 0.00 H new ATOM 502 N PHE A 35 -1.634 -4.065 2.434 1.00 0.00 N ATOM 503 CA PHE A 35 -0.417 -3.283 2.243 1.00 0.00 C ATOM 504 C PHE A 35 -0.546 -2.363 1.032 1.00 0.00 C ATOM 505 O PHE A 35 -0.553 -2.820 -0.111 1.00 0.00 O ATOM 506 CB PHE A 35 0.787 -4.211 2.066 1.00 0.00 C ATOM 507 CG PHE A 35 1.987 -3.528 1.475 1.00 0.00 C ATOM 508 CD1 PHE A 35 2.298 -2.223 1.818 1.00 0.00 C ATOM 509 CD2 PHE A 35 2.804 -4.192 0.574 1.00 0.00 C ATOM 510 CE1 PHE A 35 3.402 -1.592 1.276 1.00 0.00 C ATOM 511 CE2 PHE A 35 3.909 -3.567 0.028 1.00 0.00 C ATOM 512 CZ PHE A 35 4.208 -2.265 0.379 1.00 0.00 C ATOM 0 H PHE A 35 -1.581 -5.021 2.083 1.00 0.00 H new ATOM 0 HA PHE A 35 -0.267 -2.668 3.130 1.00 0.00 H new ATOM 0 HB2 PHE A 35 1.058 -4.631 3.035 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.502 -5.046 1.426 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.670 -1.692 2.518 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.575 -5.210 0.295 1.00 0.00 H new ATOM 0 HE1 PHE A 35 3.634 -0.574 1.554 1.00 0.00 H new ATOM 0 HE2 PHE A 35 4.538 -4.096 -0.672 1.00 0.00 H new ATOM 0 HZ PHE A 35 5.070 -1.774 -0.047 1.00 0.00 H new ATOM 522 N ARG A 36 -0.649 -1.064 1.293 1.00 0.00 N ATOM 523 CA ARG A 36 -0.780 -0.079 0.226 1.00 0.00 C ATOM 524 C ARG A 36 0.390 0.900 0.244 1.00 0.00 C ATOM 525 O ARG A 36 1.319 0.759 1.040 1.00 0.00 O ATOM 526 CB ARG A 36 -2.099 0.684 0.366 1.00 0.00 C ATOM 527 CG ARG A 36 -2.275 1.353 1.719 1.00 0.00 C ATOM 528 CD ARG A 36 -3.525 2.218 1.754 1.00 0.00 C ATOM 529 NE ARG A 36 -3.796 2.735 3.093 1.00 0.00 N ATOM 530 CZ ARG A 36 -4.890 3.418 3.410 1.00 0.00 C ATOM 531 NH1 ARG A 36 -5.811 3.666 2.489 1.00 0.00 N ATOM 532 NH2 ARG A 36 -5.065 3.855 4.651 1.00 0.00 N ATOM 0 H ARG A 36 -0.644 -0.669 2.234 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.774 -0.609 -0.726 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.155 1.442 -0.415 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.927 -0.005 0.201 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.336 0.592 2.497 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.401 1.966 1.940 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.409 3.051 1.061 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.379 1.634 1.411 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.107 2.562 3.825 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.680 3.332 1.534 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.650 4.191 2.735 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.359 3.666 5.362 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.906 4.379 4.893 1.00 0.00 H new ATOM 546 N LEU A 37 0.339 1.891 -0.640 1.00 0.00 N ATOM 547 CA LEU A 37 1.395 2.894 -0.727 1.00 0.00 C ATOM 548 C LEU A 37 0.814 4.272 -1.026 1.00 0.00 C ATOM 549 O LEU A 37 -0.075 4.413 -1.865 1.00 0.00 O ATOM 550 CB LEU A 37 2.404 2.507 -1.809 1.00 0.00 C ATOM 551 CG LEU A 37 3.327 1.334 -1.478 1.00 0.00 C ATOM 552 CD1 LEU A 37 4.134 0.928 -2.701 1.00 0.00 C ATOM 553 CD2 LEU A 37 4.250 1.690 -0.322 1.00 0.00 C ATOM 0 H LEU A 37 -0.422 2.021 -1.306 1.00 0.00 H new ATOM 0 HA LEU A 37 1.903 2.936 0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.855 2.266 -2.719 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.021 3.378 -2.030 1.00 0.00 H new ATOM 0 HG LEU A 37 2.711 0.487 -1.177 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.785 0.092 -2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.457 0.630 -3.501 1.00 0.00 H new ATOM 0 HD13 LEU A 37 4.740 1.771 -3.034 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.899 0.843 -0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 37 4.858 2.552 -0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.654 1.930 0.559 1.00 0.00 H new ATOM 565 N GLY A 38 1.324 5.287 -0.335 1.00 0.00 N ATOM 566 CA GLY A 38 0.845 6.641 -0.543 1.00 0.00 C ATOM 567 C GLY A 38 1.949 7.587 -0.970 1.00 0.00 C ATOM 568 O GLY A 38 2.954 7.736 -0.274 1.00 0.00 O ATOM 0 H GLY A 38 2.060 5.196 0.365 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.063 6.634 -1.302 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.392 7.008 0.378 1.00 0.00 H new ATOM 572 N LYS A 39 1.764 8.229 -2.118 1.00 0.00 N ATOM 573 CA LYS A 39 2.753 9.167 -2.639 1.00 0.00 C ATOM 574 C LYS A 39 2.576 10.547 -2.013 1.00 0.00 C ATOM 575 O LYS A 39 1.703 11.315 -2.417 1.00 0.00 O ATOM 576 CB LYS A 39 2.638 9.267 -4.162 1.00 0.00 C ATOM 577 CG LYS A 39 3.709 10.137 -4.796 1.00 0.00 C ATOM 578 CD LYS A 39 3.876 9.827 -6.274 1.00 0.00 C ATOM 579 CE LYS A 39 5.230 10.289 -6.791 1.00 0.00 C ATOM 580 NZ LYS A 39 5.250 11.753 -7.062 1.00 0.00 N ATOM 0 H LYS A 39 0.938 8.117 -2.706 1.00 0.00 H new ATOM 0 HA LYS A 39 3.744 8.794 -2.379 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.695 8.266 -4.589 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.657 9.667 -4.419 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.447 11.188 -4.671 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.657 9.982 -4.281 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.770 8.754 -6.436 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.083 10.315 -6.841 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.001 10.044 -6.060 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.474 9.747 -7.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.190 12.028 -7.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.532 11.983 -7.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.042 12.271 -6.185 1.00 0.00 H new ATOM 594 N LEU A 40 3.411 10.855 -1.027 1.00 0.00 N ATOM 595 CA LEU A 40 3.348 12.144 -0.347 1.00 0.00 C ATOM 596 C LEU A 40 3.775 13.273 -1.279 1.00 0.00 C ATOM 597 O LEU A 40 4.958 13.431 -1.580 1.00 0.00 O ATOM 598 CB LEU A 40 4.239 12.130 0.897 1.00 0.00 C ATOM 599 CG LEU A 40 3.930 11.048 1.932 1.00 0.00 C ATOM 600 CD1 LEU A 40 4.933 11.100 3.074 1.00 0.00 C ATOM 601 CD2 LEU A 40 2.511 11.205 2.459 1.00 0.00 C ATOM 0 H LEU A 40 4.139 10.230 -0.681 1.00 0.00 H new ATOM 0 HA LEU A 40 2.315 12.318 -0.045 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.274 12.013 0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.164 13.102 1.384 1.00 0.00 H new ATOM 0 HG LEU A 40 4.012 10.075 1.448 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.697 10.323 3.801 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.938 10.939 2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.884 12.076 3.557 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.308 10.427 3.195 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.403 12.184 2.927 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.805 11.117 1.634 1.00 0.00 H new ATOM 613 N VAL A 41 2.803 14.059 -1.732 1.00 0.00 N ATOM 614 CA VAL A 41 3.077 15.176 -2.628 1.00 0.00 C ATOM 615 C VAL A 41 2.900 16.510 -1.912 1.00 0.00 C ATOM 616 O VAL A 41 1.790 16.875 -1.526 1.00 0.00 O ATOM 617 CB VAL A 41 2.159 15.143 -3.864 1.00 0.00 C ATOM 618 CG1 VAL A 41 2.588 14.038 -4.818 1.00 0.00 C ATOM 619 CG2 VAL A 41 0.708 14.964 -3.445 1.00 0.00 C ATOM 0 H VAL A 41 1.818 13.942 -1.493 1.00 0.00 H new ATOM 0 HA VAL A 41 4.113 15.075 -2.952 1.00 0.00 H new ATOM 0 HB VAL A 41 2.247 16.096 -4.386 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.928 14.030 -5.685 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.613 14.216 -5.144 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.531 13.076 -4.309 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.073 14.943 -4.331 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.600 14.027 -2.899 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.409 15.794 -2.804 1.00 0.00 H new ATOM 777 N MET A 52 -1.464 9.963 -2.243 1.00 0.00 N ATOM 778 CA MET A 52 -2.069 9.166 -3.304 1.00 0.00 C ATOM 779 C MET A 52 -2.104 7.690 -2.921 1.00 0.00 C ATOM 780 O MET A 52 -1.124 6.968 -3.104 1.00 0.00 O ATOM 781 CB MET A 52 -1.295 9.347 -4.611 1.00 0.00 C ATOM 782 CG MET A 52 -1.114 10.801 -5.013 1.00 0.00 C ATOM 783 SD MET A 52 -0.747 10.997 -6.768 1.00 0.00 S ATOM 784 CE MET A 52 -2.250 10.357 -7.501 1.00 0.00 C ATOM 0 HA MET A 52 -3.093 9.511 -3.446 1.00 0.00 H new ATOM 0 HB2 MET A 52 -0.315 8.882 -4.511 1.00 0.00 H new ATOM 0 HB3 MET A 52 -1.818 8.820 -5.409 1.00 0.00 H new ATOM 0 HG2 MET A 52 -2.020 11.356 -4.771 1.00 0.00 H new ATOM 0 HG3 MET A 52 -0.306 11.238 -4.426 1.00 0.00 H new ATOM 0 HE1 MET A 52 -2.414 10.832 -8.468 1.00 0.00 H new ATOM 0 HE2 MET A 52 -2.158 9.279 -7.637 1.00 0.00 H new ATOM 0 HE3 MET A 52 -3.094 10.570 -6.845 1.00 0.00 H new ATOM 794 N TRP A 53 -3.238 7.248 -2.389 1.00 0.00 N ATOM 795 CA TRP A 53 -3.400 5.858 -1.980 1.00 0.00 C ATOM 796 C TRP A 53 -3.478 4.939 -3.194 1.00 0.00 C ATOM 797 O TRP A 53 -4.369 5.076 -4.031 1.00 0.00 O ATOM 798 CB TRP A 53 -4.658 5.700 -1.123 1.00 0.00 C ATOM 799 CG TRP A 53 -4.583 6.432 0.182 1.00 0.00 C ATOM 800 CD1 TRP A 53 -5.487 7.332 0.670 1.00 0.00 C ATOM 801 CD2 TRP A 53 -3.547 6.328 1.165 1.00 0.00 C ATOM 802 NE1 TRP A 53 -5.076 7.793 1.897 1.00 0.00 N ATOM 803 CE2 TRP A 53 -3.889 7.192 2.224 1.00 0.00 C ATOM 804 CE3 TRP A 53 -2.366 5.587 1.255 1.00 0.00 C ATOM 805 CZ2 TRP A 53 -3.091 7.335 3.355 1.00 0.00 C ATOM 806 CZ3 TRP A 53 -1.574 5.731 2.379 1.00 0.00 C ATOM 807 CH2 TRP A 53 -1.939 6.598 3.417 1.00 0.00 C ATOM 0 H TRP A 53 -4.059 7.832 -2.231 1.00 0.00 H new ATOM 0 HA TRP A 53 -2.529 5.575 -1.389 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -5.519 6.061 -1.685 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.826 4.641 -0.928 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -6.392 7.636 0.165 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -5.574 8.473 2.472 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -2.077 4.914 0.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -3.371 8.004 4.156 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -0.658 5.165 2.458 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -1.299 6.687 4.283 1.00 0.00 H new ATOM 818 N ASN A 54 -2.540 4.001 -3.282 1.00 0.00 N ATOM 819 CA ASN A 54 -2.504 3.060 -4.395 1.00 0.00 C ATOM 820 C ASN A 54 -2.004 1.693 -3.936 1.00 0.00 C ATOM 821 O ASN A 54 -0.978 1.623 -3.261 1.00 0.00 O ATOM 822 CB ASN A 54 -1.606 3.594 -5.513 1.00 0.00 C ATOM 823 CG ASN A 54 -1.881 5.051 -5.830 1.00 0.00 C ATOM 824 OD1 ASN A 54 -2.981 5.409 -6.251 1.00 0.00 O ATOM 825 ND2 ASN A 54 -0.880 5.900 -5.627 1.00 0.00 N ATOM 0 H ASN A 54 -1.796 3.873 -2.596 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.519 2.947 -4.776 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -0.562 3.479 -5.222 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.755 2.995 -6.412 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.006 6.893 -5.821 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.015 5.559 -5.277 1.00 0.00 H new ATOM 832 N HIS A 55 -2.731 0.650 -4.307 1.00 0.00 N ATOM 833 CA HIS A 55 -2.351 -0.700 -3.928 1.00 0.00 C ATOM 834 C HIS A 55 -0.849 -0.890 -4.144 1.00 0.00 C ATOM 835 O HIS A 55 -0.293 -0.559 -5.191 1.00 0.00 O ATOM 836 CB HIS A 55 -3.194 -1.733 -4.679 1.00 0.00 C ATOM 837 CG HIS A 55 -4.675 -1.635 -4.404 1.00 0.00 C ATOM 838 ND1 HIS A 55 -5.574 -1.112 -5.318 1.00 0.00 N ATOM 839 CD2 HIS A 55 -5.405 -1.997 -3.310 1.00 0.00 C ATOM 840 CE1 HIS A 55 -6.787 -1.163 -4.787 1.00 0.00 C ATOM 841 NE2 HIS A 55 -6.680 -1.711 -3.542 1.00 0.00 N ATOM 0 H HIS A 55 -3.582 0.712 -4.866 1.00 0.00 H new ATOM 0 HA HIS A 55 -2.552 -0.854 -2.868 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -3.025 -1.615 -5.749 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.850 -2.732 -4.410 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -5.342 -0.749 -6.243 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -5.012 -2.441 -2.408 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -7.700 -0.829 -5.257 1.00 0.00 H new ATOM 849 N ALA A 56 -0.199 -1.436 -3.121 1.00 0.00 N ATOM 850 CA ALA A 56 1.237 -1.684 -3.172 1.00 0.00 C ATOM 851 C ALA A 56 1.617 -2.442 -4.439 1.00 0.00 C ATOM 852 O ALA A 56 2.773 -2.421 -4.863 1.00 0.00 O ATOM 853 CB ALA A 56 1.684 -2.454 -1.939 1.00 0.00 C ATOM 0 H ALA A 56 -0.644 -1.715 -2.247 1.00 0.00 H new ATOM 0 HA ALA A 56 1.747 -0.721 -3.189 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.758 -2.632 -1.991 1.00 0.00 H new ATOM 0 HB2 ALA A 56 1.455 -1.874 -1.045 1.00 0.00 H new ATOM 0 HB3 ALA A 56 1.160 -3.409 -1.896 1.00 0.00 H new ATOM 859 N SER A 57 0.639 -3.112 -5.039 1.00 0.00 N ATOM 860 CA SER A 57 0.873 -3.881 -6.255 1.00 0.00 C ATOM 861 C SER A 57 0.597 -3.035 -7.495 1.00 0.00 C ATOM 862 O SER A 57 1.126 -3.303 -8.574 1.00 0.00 O ATOM 863 CB SER A 57 -0.009 -5.132 -6.271 1.00 0.00 C ATOM 864 OG SER A 57 0.319 -5.973 -7.363 1.00 0.00 O ATOM 0 H SER A 57 -0.324 -3.138 -4.703 1.00 0.00 H new ATOM 0 HA SER A 57 1.920 -4.183 -6.268 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.114 -5.679 -5.337 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.057 -4.841 -6.334 1.00 0.00 H new ATOM 0 HG SER A 57 -0.257 -6.766 -7.350 1.00 0.00 H new ATOM 870 N CYS A 58 -0.235 -2.013 -7.332 1.00 0.00 N ATOM 871 CA CYS A 58 -0.584 -1.126 -8.436 1.00 0.00 C ATOM 872 C CYS A 58 0.557 -0.158 -8.736 1.00 0.00 C ATOM 873 O CYS A 58 0.676 0.349 -9.852 1.00 0.00 O ATOM 874 CB CYS A 58 -1.857 -0.345 -8.107 1.00 0.00 C ATOM 875 SG CYS A 58 -3.391 -1.308 -8.302 1.00 0.00 S ATOM 0 H CYS A 58 -0.681 -1.778 -6.445 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.760 -1.738 -9.320 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.795 0.015 -7.080 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -1.908 0.534 -8.750 1.00 0.00 H new ATOM 0 HG CYS A 58 -3.608 -1.528 -9.565 1.00 0.00 H new ATOM 880 N ILE A 59 1.392 0.093 -7.734 1.00 0.00 N ATOM 881 CA ILE A 59 2.523 0.999 -7.891 1.00 0.00 C ATOM 882 C ILE A 59 3.776 0.244 -8.323 1.00 0.00 C ATOM 883 O ILE A 59 4.405 0.585 -9.326 1.00 0.00 O ATOM 884 CB ILE A 59 2.821 1.759 -6.585 1.00 0.00 C ATOM 885 CG1 ILE A 59 1.589 2.547 -6.136 1.00 0.00 C ATOM 886 CG2 ILE A 59 4.011 2.689 -6.774 1.00 0.00 C ATOM 887 CD1 ILE A 59 1.313 3.771 -6.980 1.00 0.00 C ATOM 0 H ILE A 59 1.307 -0.318 -6.804 1.00 0.00 H new ATOM 0 HA ILE A 59 2.248 1.716 -8.665 1.00 0.00 H new ATOM 0 HB ILE A 59 3.069 1.035 -5.809 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.718 1.892 -6.165 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.722 2.854 -5.099 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.210 3.219 -5.843 1.00 0.00 H new ATOM 0 HG22 ILE A 59 4.888 2.105 -7.054 1.00 0.00 H new ATOM 0 HG23 ILE A 59 3.788 3.409 -7.561 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.426 4.280 -6.604 1.00 0.00 H new ATOM 0 HD12 ILE A 59 2.167 4.447 -6.931 1.00 0.00 H new ATOM 0 HD13 ILE A 59 1.147 3.470 -8.014 1.00 0.00 H new ATOM 899 N LEU A 60 4.132 -0.785 -7.562 1.00 0.00 N ATOM 900 CA LEU A 60 5.309 -1.591 -7.867 1.00 0.00 C ATOM 901 C LEU A 60 5.298 -2.041 -9.324 1.00 0.00 C ATOM 902 O LEU A 60 6.349 -2.170 -9.954 1.00 0.00 O ATOM 903 CB LEU A 60 5.370 -2.810 -6.945 1.00 0.00 C ATOM 904 CG LEU A 60 5.608 -2.520 -5.463 1.00 0.00 C ATOM 905 CD1 LEU A 60 5.448 -3.788 -4.638 1.00 0.00 C ATOM 906 CD2 LEU A 60 6.988 -1.915 -5.253 1.00 0.00 C ATOM 0 H LEU A 60 3.623 -1.081 -6.729 1.00 0.00 H new ATOM 0 HA LEU A 60 6.193 -0.975 -7.703 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.434 -3.360 -7.041 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.164 -3.468 -7.298 1.00 0.00 H new ATOM 0 HG LEU A 60 4.862 -1.798 -5.129 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.621 -3.562 -3.586 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.438 -4.179 -4.764 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.170 -4.533 -4.972 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.140 -1.715 -4.192 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.748 -2.613 -5.603 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.066 -0.983 -5.813 1.00 0.00 H new ATOM 918 N LYS A 61 4.104 -2.277 -9.856 1.00 0.00 N ATOM 919 CA LYS A 61 3.955 -2.709 -11.241 1.00 0.00 C ATOM 920 C LYS A 61 4.414 -1.619 -12.204 1.00 0.00 C ATOM 921 O LYS A 61 4.921 -1.907 -13.288 1.00 0.00 O ATOM 922 CB LYS A 61 2.497 -3.076 -11.527 1.00 0.00 C ATOM 923 CG LYS A 61 1.511 -1.979 -11.165 1.00 0.00 C ATOM 924 CD LYS A 61 1.243 -1.059 -12.345 1.00 0.00 C ATOM 925 CE LYS A 61 0.352 -1.727 -13.381 1.00 0.00 C ATOM 926 NZ LYS A 61 0.145 -0.861 -14.575 1.00 0.00 N ATOM 0 H LYS A 61 3.225 -2.176 -9.349 1.00 0.00 H new ATOM 0 HA LYS A 61 4.582 -3.588 -11.391 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.392 -3.313 -12.586 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.243 -3.979 -10.972 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.575 -2.426 -10.831 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.903 -1.397 -10.330 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.770 -0.142 -11.993 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.188 -0.773 -12.807 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.800 -2.671 -13.690 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.613 -1.964 -12.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.467 -1.352 -15.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.305 0.030 -14.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.063 -0.656 -15.019 1.00 0.00 H new ATOM 940 N LYS A 62 4.236 -0.366 -11.800 1.00 0.00 N ATOM 941 CA LYS A 62 4.634 0.768 -12.625 1.00 0.00 C ATOM 942 C LYS A 62 6.146 0.965 -12.585 1.00 0.00 C ATOM 943 O LYS A 62 6.872 0.165 -11.994 1.00 0.00 O ATOM 944 CB LYS A 62 3.931 2.042 -12.152 1.00 0.00 C ATOM 945 CG LYS A 62 2.502 2.170 -12.652 1.00 0.00 C ATOM 946 CD LYS A 62 1.967 3.579 -12.459 1.00 0.00 C ATOM 947 CE LYS A 62 0.462 3.579 -12.243 1.00 0.00 C ATOM 948 NZ LYS A 62 -0.272 3.110 -13.452 1.00 0.00 N ATOM 0 H LYS A 62 3.818 -0.110 -10.905 1.00 0.00 H new ATOM 0 HA LYS A 62 4.339 0.558 -13.653 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.929 2.062 -11.062 1.00 0.00 H new ATOM 0 HB3 LYS A 62 4.503 2.908 -12.486 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.460 1.906 -13.709 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.865 1.462 -12.121 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.458 4.042 -11.603 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.210 4.184 -13.332 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.216 2.937 -11.397 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.132 4.585 -11.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -1.275 3.374 -13.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 0.137 3.552 -14.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -0.191 2.076 -13.528 1.00 0.00 H new ATOM 962 N THR A 63 6.616 2.037 -13.217 1.00 0.00 N ATOM 963 CA THR A 63 8.041 2.339 -13.253 1.00 0.00 C ATOM 964 C THR A 63 8.313 3.766 -12.790 1.00 0.00 C ATOM 965 O THR A 63 7.404 4.595 -12.732 1.00 0.00 O ATOM 966 CB THR A 63 8.620 2.152 -14.668 1.00 0.00 C ATOM 967 OG1 THR A 63 8.232 0.876 -15.191 1.00 0.00 O ATOM 968 CG2 THR A 63 10.137 2.258 -14.651 1.00 0.00 C ATOM 0 H THR A 63 6.030 2.710 -13.711 1.00 0.00 H new ATOM 0 HA THR A 63 8.529 1.640 -12.574 1.00 0.00 H new ATOM 0 HB THR A 63 8.224 2.942 -15.306 1.00 0.00 H new ATOM 0 HG1 THR A 63 8.602 0.765 -16.091 1.00 0.00 H new ATOM 0 HG21 THR A 63 10.523 2.123 -15.661 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.429 3.240 -14.280 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.548 1.487 -13.999 1.00 0.00 H new ATOM 976 N LYS A 64 9.569 4.048 -12.462 1.00 0.00 N ATOM 977 CA LYS A 64 9.962 5.376 -12.006 1.00 0.00 C ATOM 978 C LYS A 64 9.037 5.866 -10.896 1.00 0.00 C ATOM 979 O LYS A 64 8.524 6.983 -10.952 1.00 0.00 O ATOM 980 CB LYS A 64 9.942 6.365 -13.174 1.00 0.00 C ATOM 981 CG LYS A 64 10.980 6.066 -14.242 1.00 0.00 C ATOM 982 CD LYS A 64 11.367 7.319 -15.010 1.00 0.00 C ATOM 983 CE LYS A 64 11.905 6.982 -16.392 1.00 0.00 C ATOM 984 NZ LYS A 64 12.388 8.194 -17.110 1.00 0.00 N ATOM 0 H LYS A 64 10.333 3.374 -12.504 1.00 0.00 H new ATOM 0 HA LYS A 64 10.975 5.312 -11.609 1.00 0.00 H new ATOM 0 HB2 LYS A 64 8.952 6.357 -13.629 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.108 7.371 -12.790 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.867 5.634 -13.778 1.00 0.00 H new ATOM 0 HG3 LYS A 64 10.587 5.321 -14.934 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.499 7.971 -15.106 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.121 7.872 -14.450 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.721 6.266 -16.299 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.123 6.500 -16.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.747 7.922 -18.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 11.603 8.867 -17.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 13.152 8.640 -16.563 1.00 0.00 H new ATOM 998 N GLN A 65 8.831 5.023 -9.889 1.00 0.00 N ATOM 999 CA GLN A 65 7.969 5.372 -8.766 1.00 0.00 C ATOM 1000 C GLN A 65 8.785 5.562 -7.492 1.00 0.00 C ATOM 1001 O GLN A 65 8.701 6.603 -6.839 1.00 0.00 O ATOM 1002 CB GLN A 65 6.912 4.287 -8.551 1.00 0.00 C ATOM 1003 CG GLN A 65 6.099 3.974 -9.798 1.00 0.00 C ATOM 1004 CD GLN A 65 5.111 5.072 -10.141 1.00 0.00 C ATOM 1005 OE1 GLN A 65 4.612 5.771 -9.259 1.00 0.00 O ATOM 1006 NE2 GLN A 65 4.824 5.229 -11.428 1.00 0.00 N ATOM 0 H GLN A 65 9.249 4.095 -9.828 1.00 0.00 H new ATOM 0 HA GLN A 65 7.472 6.313 -9.001 1.00 0.00 H new ATOM 0 HB2 GLN A 65 7.403 3.376 -8.209 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.236 4.602 -7.756 1.00 0.00 H new ATOM 0 HG2 GLN A 65 6.775 3.823 -10.640 1.00 0.00 H new ATOM 0 HG3 GLN A 65 5.560 3.038 -9.650 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.261 4.627 -12.125 1.00 0.00 H new ATOM 0 HE22 GLN A 65 4.166 5.952 -11.719 1.00 0.00 H new ATOM 1015 N ILE A 66 9.574 4.552 -7.144 1.00 0.00 N ATOM 1016 CA ILE A 66 10.406 4.609 -5.949 1.00 0.00 C ATOM 1017 C ILE A 66 11.879 4.422 -6.294 1.00 0.00 C ATOM 1018 O ILE A 66 12.224 3.671 -7.207 1.00 0.00 O ATOM 1019 CB ILE A 66 9.991 3.538 -4.922 1.00 0.00 C ATOM 1020 CG1 ILE A 66 8.501 3.662 -4.597 1.00 0.00 C ATOM 1021 CG2 ILE A 66 10.827 3.665 -3.657 1.00 0.00 C ATOM 1022 CD1 ILE A 66 7.977 2.540 -3.729 1.00 0.00 C ATOM 0 H ILE A 66 9.655 3.684 -7.673 1.00 0.00 H new ATOM 0 HA ILE A 66 10.261 5.597 -5.511 1.00 0.00 H new ATOM 0 HB ILE A 66 10.169 2.553 -5.354 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.325 4.613 -4.093 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.935 3.685 -5.528 1.00 0.00 H new ATOM 0 HG21 ILE A 66 10.522 2.902 -2.941 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.881 3.532 -3.902 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.678 4.652 -3.220 1.00 0.00 H new ATOM 0 HD11 ILE A 66 6.915 2.693 -3.539 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.121 1.588 -4.239 1.00 0.00 H new ATOM 0 HD13 ILE A 66 8.517 2.530 -2.782 1.00 0.00 H new ATOM 1034 N LYS A 67 12.746 5.109 -5.557 1.00 0.00 N ATOM 1035 CA LYS A 67 14.184 5.017 -5.783 1.00 0.00 C ATOM 1036 C LYS A 67 14.803 3.931 -4.908 1.00 0.00 C ATOM 1037 O LYS A 67 15.616 3.134 -5.376 1.00 0.00 O ATOM 1038 CB LYS A 67 14.853 6.363 -5.494 1.00 0.00 C ATOM 1039 CG LYS A 67 16.294 6.440 -5.968 1.00 0.00 C ATOM 1040 CD LYS A 67 16.849 7.849 -5.838 1.00 0.00 C ATOM 1041 CE LYS A 67 18.335 7.894 -6.160 1.00 0.00 C ATOM 1042 NZ LYS A 67 18.967 9.155 -5.683 1.00 0.00 N ATOM 0 H LYS A 67 12.478 5.736 -4.798 1.00 0.00 H new ATOM 0 HA LYS A 67 14.347 4.754 -6.828 1.00 0.00 H new ATOM 0 HB2 LYS A 67 14.279 7.155 -5.974 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.822 6.552 -4.421 1.00 0.00 H new ATOM 0 HG2 LYS A 67 16.907 5.751 -5.386 1.00 0.00 H new ATOM 0 HG3 LYS A 67 16.354 6.119 -7.008 1.00 0.00 H new ATOM 0 HD2 LYS A 67 16.310 8.517 -6.509 1.00 0.00 H new ATOM 0 HD3 LYS A 67 16.684 8.214 -4.824 1.00 0.00 H new ATOM 0 HE2 LYS A 67 18.833 7.041 -5.699 1.00 0.00 H new ATOM 0 HE3 LYS A 67 18.476 7.801 -7.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 19.979 9.148 -5.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 18.509 9.968 -6.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 18.855 9.231 -4.652 1.00 0.00 H new ATOM 1056 N SER A 68 14.413 3.906 -3.638 1.00 0.00 N ATOM 1057 CA SER A 68 14.932 2.920 -2.698 1.00 0.00 C ATOM 1058 C SER A 68 14.037 2.819 -1.467 1.00 0.00 C ATOM 1059 O SER A 68 13.327 3.764 -1.122 1.00 0.00 O ATOM 1060 CB SER A 68 16.357 3.284 -2.279 1.00 0.00 C ATOM 1061 OG SER A 68 16.882 2.330 -1.371 1.00 0.00 O ATOM 0 H SER A 68 13.739 4.558 -3.236 1.00 0.00 H new ATOM 0 HA SER A 68 14.945 1.951 -3.196 1.00 0.00 H new ATOM 0 HB2 SER A 68 16.995 3.341 -3.161 1.00 0.00 H new ATOM 0 HB3 SER A 68 16.363 4.271 -1.817 1.00 0.00 H new ATOM 0 HG SER A 68 17.794 2.585 -1.120 1.00 0.00 H new ATOM 1067 N VAL A 69 14.076 1.666 -0.807 1.00 0.00 N ATOM 1068 CA VAL A 69 13.270 1.440 0.387 1.00 0.00 C ATOM 1069 C VAL A 69 13.500 2.537 1.420 1.00 0.00 C ATOM 1070 O VAL A 69 12.633 2.815 2.249 1.00 0.00 O ATOM 1071 CB VAL A 69 13.584 0.074 1.026 1.00 0.00 C ATOM 1072 CG1 VAL A 69 13.020 -1.055 0.177 1.00 0.00 C ATOM 1073 CG2 VAL A 69 15.084 -0.091 1.219 1.00 0.00 C ATOM 0 H VAL A 69 14.658 0.873 -1.079 1.00 0.00 H new ATOM 0 HA VAL A 69 12.227 1.454 0.072 1.00 0.00 H new ATOM 0 HB VAL A 69 13.108 0.032 2.006 1.00 0.00 H new ATOM 0 HG11 VAL A 69 13.252 -2.012 0.644 1.00 0.00 H new ATOM 0 HG12 VAL A 69 11.939 -0.943 0.095 1.00 0.00 H new ATOM 0 HG13 VAL A 69 13.465 -1.020 -0.817 1.00 0.00 H new ATOM 0 HG21 VAL A 69 15.288 -1.061 1.671 1.00 0.00 H new ATOM 0 HG22 VAL A 69 15.584 -0.029 0.253 1.00 0.00 H new ATOM 0 HG23 VAL A 69 15.456 0.699 1.871 1.00 0.00 H new ATOM 1083 N ASP A 70 14.673 3.157 1.365 1.00 0.00 N ATOM 1084 CA ASP A 70 15.017 4.226 2.296 1.00 0.00 C ATOM 1085 C ASP A 70 14.062 5.406 2.145 1.00 0.00 C ATOM 1086 O ASP A 70 13.808 6.138 3.102 1.00 0.00 O ATOM 1087 CB ASP A 70 16.457 4.687 2.066 1.00 0.00 C ATOM 1088 CG ASP A 70 16.946 5.624 3.154 1.00 0.00 C ATOM 1089 OD1 ASP A 70 16.478 6.781 3.195 1.00 0.00 O ATOM 1090 OD2 ASP A 70 17.795 5.199 3.965 1.00 0.00 O ATOM 0 H ASP A 70 15.402 2.938 0.686 1.00 0.00 H new ATOM 0 HA ASP A 70 14.926 3.835 3.310 1.00 0.00 H new ATOM 0 HB2 ASP A 70 17.111 3.816 2.019 1.00 0.00 H new ATOM 0 HB3 ASP A 70 16.525 5.189 1.101 1.00 0.00 H new ATOM 1095 N ASP A 71 13.537 5.585 0.939 1.00 0.00 N ATOM 1096 CA ASP A 71 12.609 6.676 0.663 1.00 0.00 C ATOM 1097 C ASP A 71 11.207 6.336 1.159 1.00 0.00 C ATOM 1098 O ASP A 71 10.373 7.221 1.349 1.00 0.00 O ATOM 1099 CB ASP A 71 12.574 6.977 -0.837 1.00 0.00 C ATOM 1100 CG ASP A 71 13.642 7.969 -1.253 1.00 0.00 C ATOM 1101 OD1 ASP A 71 13.977 8.856 -0.440 1.00 0.00 O ATOM 1102 OD2 ASP A 71 14.142 7.859 -2.392 1.00 0.00 O ATOM 0 H ASP A 71 13.738 4.989 0.136 1.00 0.00 H new ATOM 0 HA ASP A 71 12.958 7.561 1.195 1.00 0.00 H new ATOM 0 HB2 ASP A 71 12.707 6.050 -1.394 1.00 0.00 H new ATOM 0 HB3 ASP A 71 11.593 7.371 -1.103 1.00 0.00 H new ATOM 1107 N VAL A 72 10.954 5.048 1.366 1.00 0.00 N ATOM 1108 CA VAL A 72 9.653 4.590 1.840 1.00 0.00 C ATOM 1109 C VAL A 72 9.580 4.626 3.362 1.00 0.00 C ATOM 1110 O VAL A 72 10.433 4.063 4.047 1.00 0.00 O ATOM 1111 CB VAL A 72 9.350 3.160 1.355 1.00 0.00 C ATOM 1112 CG1 VAL A 72 7.923 2.769 1.705 1.00 0.00 C ATOM 1113 CG2 VAL A 72 9.592 3.043 -0.143 1.00 0.00 C ATOM 0 H VAL A 72 11.633 4.302 1.213 1.00 0.00 H new ATOM 0 HA VAL A 72 8.908 5.270 1.427 1.00 0.00 H new ATOM 0 HB VAL A 72 10.025 2.472 1.864 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.727 1.756 1.355 1.00 0.00 H new ATOM 0 HG12 VAL A 72 7.789 2.811 2.786 1.00 0.00 H new ATOM 0 HG13 VAL A 72 7.229 3.459 1.226 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.373 2.026 -0.469 1.00 0.00 H new ATOM 0 HG22 VAL A 72 8.943 3.741 -0.672 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.633 3.278 -0.363 1.00 0.00 H new ATOM 1123 N GLU A 73 8.554 5.290 3.884 1.00 0.00 N ATOM 1124 CA GLU A 73 8.369 5.398 5.327 1.00 0.00 C ATOM 1125 C GLU A 73 7.448 4.296 5.842 1.00 0.00 C ATOM 1126 O GLU A 73 6.594 3.794 5.112 1.00 0.00 O ATOM 1127 CB GLU A 73 7.793 6.769 5.688 1.00 0.00 C ATOM 1128 CG GLU A 73 7.853 7.082 7.174 1.00 0.00 C ATOM 1129 CD GLU A 73 6.996 8.274 7.554 1.00 0.00 C ATOM 1130 OE1 GLU A 73 7.202 9.361 6.974 1.00 0.00 O ATOM 1131 OE2 GLU A 73 6.121 8.120 8.430 1.00 0.00 O ATOM 0 H GLU A 73 7.839 5.761 3.330 1.00 0.00 H new ATOM 0 HA GLU A 73 9.344 5.284 5.802 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.338 7.538 5.141 1.00 0.00 H new ATOM 0 HB3 GLU A 73 6.756 6.817 5.357 1.00 0.00 H new ATOM 0 HG2 GLU A 73 7.526 6.209 7.739 1.00 0.00 H new ATOM 0 HG3 GLU A 73 8.887 7.277 7.459 1.00 0.00 H new ATOM 1138 N GLY A 74 7.629 3.924 7.105 1.00 0.00 N ATOM 1139 CA GLY A 74 6.809 2.883 7.697 1.00 0.00 C ATOM 1140 C GLY A 74 6.980 1.546 7.004 1.00 0.00 C ATOM 1141 O GLY A 74 6.216 0.611 7.247 1.00 0.00 O ATOM 0 H GLY A 74 8.329 4.325 7.729 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.066 2.778 8.751 1.00 0.00 H new ATOM 0 HA3 GLY A 74 5.761 3.181 7.652 1.00 0.00 H new ATOM 1145 N ILE A 75 7.983 1.454 6.138 1.00 0.00 N ATOM 1146 CA ILE A 75 8.251 0.221 5.408 1.00 0.00 C ATOM 1147 C ILE A 75 8.643 -0.906 6.357 1.00 0.00 C ATOM 1148 O ILE A 75 8.253 -2.057 6.163 1.00 0.00 O ATOM 1149 CB ILE A 75 9.371 0.415 4.368 1.00 0.00 C ATOM 1150 CG1 ILE A 75 9.372 -0.742 3.366 1.00 0.00 C ATOM 1151 CG2 ILE A 75 10.722 0.525 5.059 1.00 0.00 C ATOM 1152 CD1 ILE A 75 10.194 -0.467 2.127 1.00 0.00 C ATOM 0 H ILE A 75 8.624 2.218 5.925 1.00 0.00 H new ATOM 0 HA ILE A 75 7.329 -0.047 4.892 1.00 0.00 H new ATOM 0 HB ILE A 75 9.186 1.342 3.825 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.757 -1.636 3.856 1.00 0.00 H new ATOM 0 HG13 ILE A 75 8.345 -0.957 3.071 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.503 0.662 4.311 1.00 0.00 H new ATOM 0 HG22 ILE A 75 10.715 1.378 5.737 1.00 0.00 H new ATOM 0 HG23 ILE A 75 10.917 -0.386 5.625 1.00 0.00 H new ATOM 0 HD11 ILE A 75 10.149 -1.329 1.462 1.00 0.00 H new ATOM 0 HD12 ILE A 75 9.796 0.408 1.613 1.00 0.00 H new ATOM 0 HD13 ILE A 75 11.230 -0.281 2.411 1.00 0.00 H new ATOM 1164 N GLU A 76 9.416 -0.566 7.384 1.00 0.00 N ATOM 1165 CA GLU A 76 9.859 -1.550 8.364 1.00 0.00 C ATOM 1166 C GLU A 76 8.676 -2.106 9.151 1.00 0.00 C ATOM 1167 O GLU A 76 8.821 -3.053 9.924 1.00 0.00 O ATOM 1168 CB GLU A 76 10.875 -0.926 9.323 1.00 0.00 C ATOM 1169 CG GLU A 76 10.311 0.220 10.146 1.00 0.00 C ATOM 1170 CD GLU A 76 11.093 0.462 11.422 1.00 0.00 C ATOM 1171 OE1 GLU A 76 10.816 -0.225 12.427 1.00 0.00 O ATOM 1172 OE2 GLU A 76 11.983 1.339 11.416 1.00 0.00 O ATOM 0 H GLU A 76 9.748 0.383 7.558 1.00 0.00 H new ATOM 0 HA GLU A 76 10.334 -2.371 7.827 1.00 0.00 H new ATOM 0 HB2 GLU A 76 11.247 -1.698 9.997 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.729 -0.565 8.750 1.00 0.00 H new ATOM 0 HG2 GLU A 76 10.313 1.129 9.545 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.272 0.006 10.396 1.00 0.00 H new ATOM 1179 N SER A 77 7.506 -1.510 8.948 1.00 0.00 N ATOM 1180 CA SER A 77 6.297 -1.941 9.641 1.00 0.00 C ATOM 1181 C SER A 77 5.532 -2.968 8.811 1.00 0.00 C ATOM 1182 O SER A 77 4.618 -3.627 9.307 1.00 0.00 O ATOM 1183 CB SER A 77 5.399 -0.740 9.941 1.00 0.00 C ATOM 1184 OG SER A 77 4.611 -0.969 11.096 1.00 0.00 O ATOM 0 H SER A 77 7.369 -0.727 8.309 1.00 0.00 H new ATOM 0 HA SER A 77 6.594 -2.407 10.581 1.00 0.00 H new ATOM 0 HB2 SER A 77 6.012 0.149 10.086 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.750 -0.545 9.087 1.00 0.00 H new ATOM 0 HG SER A 77 4.047 -0.186 11.268 1.00 0.00 H new ATOM 1190 N LEU A 78 5.914 -3.098 7.546 1.00 0.00 N ATOM 1191 CA LEU A 78 5.265 -4.044 6.645 1.00 0.00 C ATOM 1192 C LEU A 78 5.782 -5.460 6.877 1.00 0.00 C ATOM 1193 O LEU A 78 6.789 -5.660 7.557 1.00 0.00 O ATOM 1194 CB LEU A 78 5.499 -3.636 5.189 1.00 0.00 C ATOM 1195 CG LEU A 78 5.427 -2.138 4.892 1.00 0.00 C ATOM 1196 CD1 LEU A 78 5.995 -1.839 3.514 1.00 0.00 C ATOM 1197 CD2 LEU A 78 3.993 -1.641 5.000 1.00 0.00 C ATOM 0 H LEU A 78 6.670 -2.561 7.121 1.00 0.00 H new ATOM 0 HA LEU A 78 4.195 -4.029 6.853 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.480 -4.000 4.884 1.00 0.00 H new ATOM 0 HB3 LEU A 78 4.763 -4.145 4.567 1.00 0.00 H new ATOM 0 HG LEU A 78 6.029 -1.611 5.632 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.935 -0.768 3.320 1.00 0.00 H new ATOM 0 HD12 LEU A 78 7.037 -2.158 3.473 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.421 -2.377 2.759 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.961 -0.573 4.785 1.00 0.00 H new ATOM 0 HD22 LEU A 78 3.368 -2.174 4.283 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.621 -1.820 6.009 1.00 0.00 H new ATOM 1209 N ARG A 79 5.088 -6.440 6.307 1.00 0.00 N ATOM 1210 CA ARG A 79 5.478 -7.837 6.451 1.00 0.00 C ATOM 1211 C ARG A 79 6.673 -8.163 5.561 1.00 0.00 C ATOM 1212 O ARG A 79 6.818 -7.607 4.472 1.00 0.00 O ATOM 1213 CB ARG A 79 4.304 -8.755 6.103 1.00 0.00 C ATOM 1214 CG ARG A 79 3.279 -8.883 7.218 1.00 0.00 C ATOM 1215 CD ARG A 79 3.816 -9.710 8.376 1.00 0.00 C ATOM 1216 NE ARG A 79 3.592 -11.139 8.177 1.00 0.00 N ATOM 1217 CZ ARG A 79 4.328 -12.085 8.751 1.00 0.00 C ATOM 1218 NH1 ARG A 79 5.329 -11.755 9.554 1.00 0.00 N ATOM 1219 NH2 ARG A 79 4.063 -13.365 8.521 1.00 0.00 N ATOM 0 H ARG A 79 4.252 -6.292 5.741 1.00 0.00 H new ATOM 0 HA ARG A 79 5.765 -8.002 7.490 1.00 0.00 H new ATOM 0 HB2 ARG A 79 3.810 -8.375 5.209 1.00 0.00 H new ATOM 0 HB3 ARG A 79 4.688 -9.745 5.859 1.00 0.00 H new ATOM 0 HG2 ARG A 79 3.003 -7.891 7.575 1.00 0.00 H new ATOM 0 HG3 ARG A 79 2.372 -9.346 6.829 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.884 -9.523 8.491 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.335 -9.393 9.302 1.00 0.00 H new ATOM 0 HE ARG A 79 2.829 -11.427 7.564 1.00 0.00 H new ATOM 0 HH11 ARG A 79 5.537 -10.773 9.733 1.00 0.00 H new ATOM 0 HH12 ARG A 79 5.892 -12.483 9.993 1.00 0.00 H new ATOM 0 HH21 ARG A 79 3.294 -13.624 7.903 1.00 0.00 H new ATOM 0 HH22 ARG A 79 4.629 -14.090 8.962 1.00 0.00 H new ATOM 1233 N TRP A 80 7.526 -9.065 6.032 1.00 0.00 N ATOM 1234 CA TRP A 80 8.710 -9.464 5.279 1.00 0.00 C ATOM 1235 C TRP A 80 8.409 -9.527 3.786 1.00 0.00 C ATOM 1236 O TRP A 80 9.022 -8.816 2.990 1.00 0.00 O ATOM 1237 CB TRP A 80 9.217 -10.822 5.768 1.00 0.00 C ATOM 1238 CG TRP A 80 10.181 -11.471 4.821 1.00 0.00 C ATOM 1239 CD1 TRP A 80 11.417 -11.013 4.468 1.00 0.00 C ATOM 1240 CD2 TRP A 80 9.985 -12.697 4.107 1.00 0.00 C ATOM 1241 NE1 TRP A 80 12.003 -11.879 3.576 1.00 0.00 N ATOM 1242 CE2 TRP A 80 11.145 -12.920 3.339 1.00 0.00 C ATOM 1243 CE3 TRP A 80 8.945 -13.627 4.042 1.00 0.00 C ATOM 1244 CZ2 TRP A 80 11.290 -14.035 2.518 1.00 0.00 C ATOM 1245 CZ3 TRP A 80 9.090 -14.733 3.226 1.00 0.00 C ATOM 1246 CH2 TRP A 80 10.256 -14.930 2.474 1.00 0.00 C ATOM 0 H TRP A 80 7.420 -9.534 6.932 1.00 0.00 H new ATOM 0 HA TRP A 80 9.485 -8.715 5.443 1.00 0.00 H new ATOM 0 HB2 TRP A 80 9.700 -10.694 6.737 1.00 0.00 H new ATOM 0 HB3 TRP A 80 8.366 -11.486 5.921 1.00 0.00 H new ATOM 0 HD1 TRP A 80 11.869 -10.103 4.836 1.00 0.00 H new ATOM 0 HE1 TRP A 80 12.927 -11.765 3.158 1.00 0.00 H new ATOM 0 HE3 TRP A 80 8.043 -13.484 4.619 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 12.187 -14.188 1.936 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 8.291 -15.458 3.167 1.00 0.00 H new ATOM 0 HH2 TRP A 80 10.340 -15.806 1.847 1.00 0.00 H new ATOM 1257 N GLU A 81 7.463 -10.382 3.413 1.00 0.00 N ATOM 1258 CA GLU A 81 7.082 -10.537 2.013 1.00 0.00 C ATOM 1259 C GLU A 81 6.834 -9.179 1.364 1.00 0.00 C ATOM 1260 O GLU A 81 7.224 -8.945 0.220 1.00 0.00 O ATOM 1261 CB GLU A 81 5.830 -11.408 1.896 1.00 0.00 C ATOM 1262 CG GLU A 81 4.534 -10.641 2.101 1.00 0.00 C ATOM 1263 CD GLU A 81 3.306 -11.489 1.832 1.00 0.00 C ATOM 1264 OE1 GLU A 81 3.060 -12.439 2.606 1.00 0.00 O ATOM 1265 OE2 GLU A 81 2.591 -11.204 0.849 1.00 0.00 O ATOM 0 H GLU A 81 6.946 -10.978 4.060 1.00 0.00 H new ATOM 0 HA GLU A 81 7.905 -11.025 1.490 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.814 -11.876 0.912 1.00 0.00 H new ATOM 0 HB3 GLU A 81 5.887 -12.212 2.630 1.00 0.00 H new ATOM 0 HG2 GLU A 81 4.496 -10.267 3.124 1.00 0.00 H new ATOM 0 HG3 GLU A 81 4.522 -9.772 1.443 1.00 0.00 H new ATOM 1272 N ASP A 82 6.181 -8.287 2.102 1.00 0.00 N ATOM 1273 CA ASP A 82 5.880 -6.952 1.599 1.00 0.00 C ATOM 1274 C ASP A 82 7.158 -6.137 1.422 1.00 0.00 C ATOM 1275 O ASP A 82 7.430 -5.620 0.339 1.00 0.00 O ATOM 1276 CB ASP A 82 4.927 -6.228 2.551 1.00 0.00 C ATOM 1277 CG ASP A 82 3.614 -6.966 2.726 1.00 0.00 C ATOM 1278 OD1 ASP A 82 3.632 -8.215 2.745 1.00 0.00 O ATOM 1279 OD2 ASP A 82 2.568 -6.294 2.846 1.00 0.00 O ATOM 0 H ASP A 82 5.850 -8.465 3.050 1.00 0.00 H new ATOM 0 HA ASP A 82 5.399 -7.057 0.626 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.407 -6.111 3.522 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.730 -5.226 2.171 1.00 0.00 H new ATOM 1284 N GLN A 83 7.936 -6.026 2.494 1.00 0.00 N ATOM 1285 CA GLN A 83 9.184 -5.272 2.457 1.00 0.00 C ATOM 1286 C GLN A 83 10.054 -5.718 1.287 1.00 0.00 C ATOM 1287 O GLN A 83 10.828 -4.930 0.743 1.00 0.00 O ATOM 1288 CB GLN A 83 9.948 -5.445 3.771 1.00 0.00 C ATOM 1289 CG GLN A 83 9.162 -5.001 4.995 1.00 0.00 C ATOM 1290 CD GLN A 83 10.055 -4.687 6.179 1.00 0.00 C ATOM 1291 OE1 GLN A 83 11.037 -3.955 6.053 1.00 0.00 O ATOM 1292 NE2 GLN A 83 9.718 -5.239 7.338 1.00 0.00 N ATOM 0 H GLN A 83 7.725 -6.448 3.398 1.00 0.00 H new ATOM 0 HA GLN A 83 8.939 -4.218 2.323 1.00 0.00 H new ATOM 0 HB2 GLN A 83 10.223 -6.493 3.887 1.00 0.00 H new ATOM 0 HB3 GLN A 83 10.876 -4.876 3.720 1.00 0.00 H new ATOM 0 HG2 GLN A 83 8.574 -4.118 4.744 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.457 -5.785 5.274 1.00 0.00 H new ATOM 0 HE21 GLN A 83 8.896 -5.839 7.397 1.00 0.00 H new ATOM 0 HE22 GLN A 83 10.281 -5.063 8.170 1.00 0.00 H new ATOM 1301 N GLN A 84 9.922 -6.984 0.905 1.00 0.00 N ATOM 1302 CA GLN A 84 10.698 -7.533 -0.200 1.00 0.00 C ATOM 1303 C GLN A 84 10.238 -6.948 -1.531 1.00 0.00 C ATOM 1304 O GLN A 84 11.055 -6.603 -2.386 1.00 0.00 O ATOM 1305 CB GLN A 84 10.575 -9.058 -0.229 1.00 0.00 C ATOM 1306 CG GLN A 84 11.098 -9.734 1.027 1.00 0.00 C ATOM 1307 CD GLN A 84 12.580 -10.046 0.949 1.00 0.00 C ATOM 1308 OE1 GLN A 84 13.005 -10.909 0.180 1.00 0.00 O ATOM 1309 NE2 GLN A 84 13.376 -9.343 1.747 1.00 0.00 N ATOM 0 H GLN A 84 9.285 -7.649 1.344 1.00 0.00 H new ATOM 0 HA GLN A 84 11.743 -7.263 -0.047 1.00 0.00 H new ATOM 0 HB2 GLN A 84 9.528 -9.327 -0.367 1.00 0.00 H new ATOM 0 HB3 GLN A 84 11.119 -9.442 -1.092 1.00 0.00 H new ATOM 0 HG2 GLN A 84 10.911 -9.090 1.886 1.00 0.00 H new ATOM 0 HG3 GLN A 84 10.545 -10.658 1.195 1.00 0.00 H new ATOM 0 HE21 GLN A 84 12.981 -8.637 2.369 1.00 0.00 H new ATOM 0 HE22 GLN A 84 14.382 -9.509 1.738 1.00 0.00 H new ATOM 1318 N LYS A 85 8.925 -6.840 -1.702 1.00 0.00 N ATOM 1319 CA LYS A 85 8.355 -6.297 -2.929 1.00 0.00 C ATOM 1320 C LYS A 85 8.914 -4.908 -3.220 1.00 0.00 C ATOM 1321 O LYS A 85 8.917 -4.458 -4.367 1.00 0.00 O ATOM 1322 CB LYS A 85 6.829 -6.231 -2.822 1.00 0.00 C ATOM 1323 CG LYS A 85 6.178 -7.584 -2.591 1.00 0.00 C ATOM 1324 CD LYS A 85 4.726 -7.438 -2.166 1.00 0.00 C ATOM 1325 CE LYS A 85 4.287 -8.591 -1.276 1.00 0.00 C ATOM 1326 NZ LYS A 85 2.920 -8.377 -0.726 1.00 0.00 N ATOM 0 H LYS A 85 8.235 -7.122 -1.006 1.00 0.00 H new ATOM 0 HA LYS A 85 8.628 -6.960 -3.750 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.559 -5.562 -2.005 1.00 0.00 H new ATOM 0 HB3 LYS A 85 6.427 -5.795 -3.737 1.00 0.00 H new ATOM 0 HG2 LYS A 85 6.233 -8.176 -3.504 1.00 0.00 H new ATOM 0 HG3 LYS A 85 6.730 -8.128 -1.824 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.595 -6.496 -1.634 1.00 0.00 H new ATOM 0 HD3 LYS A 85 4.089 -7.396 -3.050 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.308 -9.519 -1.847 1.00 0.00 H new ATOM 0 HE3 LYS A 85 4.995 -8.706 -0.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.637 -9.207 -0.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 2.918 -7.533 -0.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.248 -8.242 -1.508 1.00 0.00 H new ATOM 1340 N ILE A 86 9.387 -4.235 -2.177 1.00 0.00 N ATOM 1341 CA ILE A 86 9.951 -2.899 -2.322 1.00 0.00 C ATOM 1342 C ILE A 86 11.414 -2.963 -2.750 1.00 0.00 C ATOM 1343 O ILE A 86 11.767 -2.545 -3.853 1.00 0.00 O ATOM 1344 CB ILE A 86 9.846 -2.097 -1.011 1.00 0.00 C ATOM 1345 CG1 ILE A 86 8.480 -2.321 -0.359 1.00 0.00 C ATOM 1346 CG2 ILE A 86 10.077 -0.617 -1.275 1.00 0.00 C ATOM 1347 CD1 ILE A 86 7.349 -1.609 -1.067 1.00 0.00 C ATOM 0 H ILE A 86 9.391 -4.593 -1.222 1.00 0.00 H new ATOM 0 HA ILE A 86 9.370 -2.394 -3.094 1.00 0.00 H new ATOM 0 HB ILE A 86 10.617 -2.448 -0.325 1.00 0.00 H new ATOM 0 HG12 ILE A 86 8.268 -3.390 -0.336 1.00 0.00 H new ATOM 0 HG13 ILE A 86 8.520 -1.982 0.676 1.00 0.00 H new ATOM 0 HG21 ILE A 86 9.999 -0.064 -0.339 1.00 0.00 H new ATOM 0 HG22 ILE A 86 11.071 -0.474 -1.700 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.327 -0.251 -1.976 1.00 0.00 H new ATOM 0 HD11 ILE A 86 6.411 -1.812 -0.550 1.00 0.00 H new ATOM 0 HD12 ILE A 86 7.538 -0.536 -1.067 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.282 -1.965 -2.095 1.00 0.00 H new ATOM 1359 N ARG A 87 12.259 -3.491 -1.871 1.00 0.00 N ATOM 1360 CA ARG A 87 13.683 -3.611 -2.158 1.00 0.00 C ATOM 1361 C ARG A 87 13.913 -4.350 -3.473 1.00 0.00 C ATOM 1362 O ARG A 87 14.781 -3.979 -4.263 1.00 0.00 O ATOM 1363 CB ARG A 87 14.395 -4.343 -1.018 1.00 0.00 C ATOM 1364 CG ARG A 87 13.694 -5.620 -0.583 1.00 0.00 C ATOM 1365 CD ARG A 87 13.871 -5.873 0.906 1.00 0.00 C ATOM 1366 NE ARG A 87 15.025 -6.725 1.182 1.00 0.00 N ATOM 1367 CZ ARG A 87 15.648 -6.760 2.355 1.00 0.00 C ATOM 1368 NH1 ARG A 87 15.232 -5.994 3.354 1.00 0.00 N ATOM 1369 NH2 ARG A 87 16.691 -7.562 2.529 1.00 0.00 N ATOM 0 H ARG A 87 11.982 -3.842 -0.954 1.00 0.00 H new ATOM 0 HA ARG A 87 14.095 -2.606 -2.249 1.00 0.00 H new ATOM 0 HB2 ARG A 87 15.411 -4.585 -1.331 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.476 -3.673 -0.162 1.00 0.00 H new ATOM 0 HG2 ARG A 87 12.632 -5.551 -0.818 1.00 0.00 H new ATOM 0 HG3 ARG A 87 14.091 -6.464 -1.146 1.00 0.00 H new ATOM 0 HD2 ARG A 87 13.991 -4.921 1.424 1.00 0.00 H new ATOM 0 HD3 ARG A 87 12.971 -6.341 1.304 1.00 0.00 H new ATOM 0 HE ARG A 87 15.371 -7.326 0.434 1.00 0.00 H new ATOM 0 HH11 ARG A 87 14.432 -5.376 3.223 1.00 0.00 H new ATOM 0 HH12 ARG A 87 15.712 -6.023 4.253 1.00 0.00 H new ATOM 0 HH21 ARG A 87 17.014 -8.152 1.762 1.00 0.00 H new ATOM 0 HH22 ARG A 87 17.169 -7.589 3.430 1.00 0.00 H new ATOM 1383 N LYS A 88 13.129 -5.399 -3.701 1.00 0.00 N ATOM 1384 CA LYS A 88 13.245 -6.191 -4.920 1.00 0.00 C ATOM 1385 C LYS A 88 12.697 -5.426 -6.120 1.00 0.00 C ATOM 1386 O LYS A 88 12.664 -5.944 -7.236 1.00 0.00 O ATOM 1387 CB LYS A 88 12.498 -7.518 -4.763 1.00 0.00 C ATOM 1388 CG LYS A 88 12.874 -8.282 -3.506 1.00 0.00 C ATOM 1389 CD LYS A 88 14.035 -9.229 -3.755 1.00 0.00 C ATOM 1390 CE LYS A 88 14.426 -9.978 -2.489 1.00 0.00 C ATOM 1391 NZ LYS A 88 15.214 -9.122 -1.560 1.00 0.00 N ATOM 0 H LYS A 88 12.406 -5.720 -3.057 1.00 0.00 H new ATOM 0 HA LYS A 88 14.302 -6.394 -5.093 1.00 0.00 H new ATOM 0 HB2 LYS A 88 11.426 -7.323 -4.752 1.00 0.00 H new ATOM 0 HB3 LYS A 88 12.699 -8.144 -5.632 1.00 0.00 H new ATOM 0 HG2 LYS A 88 13.140 -7.578 -2.717 1.00 0.00 H new ATOM 0 HG3 LYS A 88 12.012 -8.847 -3.151 1.00 0.00 H new ATOM 0 HD2 LYS A 88 13.763 -9.943 -4.532 1.00 0.00 H new ATOM 0 HD3 LYS A 88 14.892 -8.666 -4.125 1.00 0.00 H new ATOM 0 HE2 LYS A 88 13.527 -10.331 -1.983 1.00 0.00 H new ATOM 0 HE3 LYS A 88 15.010 -10.860 -2.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 15.806 -9.723 -0.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 15.821 -8.481 -2.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 14.566 -8.563 -0.969 1.00 0.00 H new ATOM 1405 N TYR A 89 12.269 -4.191 -5.883 1.00 0.00 N ATOM 1406 CA TYR A 89 11.722 -3.355 -6.945 1.00 0.00 C ATOM 1407 C TYR A 89 12.615 -2.145 -7.201 1.00 0.00 C ATOM 1408 O TYR A 89 12.805 -1.730 -8.345 1.00 0.00 O ATOM 1409 CB TYR A 89 10.310 -2.891 -6.581 1.00 0.00 C ATOM 1410 CG TYR A 89 9.815 -1.737 -7.424 1.00 0.00 C ATOM 1411 CD1 TYR A 89 9.177 -1.962 -8.638 1.00 0.00 C ATOM 1412 CD2 TYR A 89 9.987 -0.423 -7.007 1.00 0.00 C ATOM 1413 CE1 TYR A 89 8.724 -0.911 -9.412 1.00 0.00 C ATOM 1414 CE2 TYR A 89 9.536 0.634 -7.774 1.00 0.00 C ATOM 1415 CZ TYR A 89 8.906 0.385 -8.975 1.00 0.00 C ATOM 1416 OH TYR A 89 8.456 1.435 -9.742 1.00 0.00 O ATOM 0 H TYR A 89 12.290 -3.747 -4.965 1.00 0.00 H new ATOM 0 HA TYR A 89 11.679 -3.952 -7.856 1.00 0.00 H new ATOM 0 HB2 TYR A 89 9.622 -3.730 -6.689 1.00 0.00 H new ATOM 0 HB3 TYR A 89 10.293 -2.597 -5.532 1.00 0.00 H new ATOM 0 HD1 TYR A 89 9.033 -2.975 -8.982 1.00 0.00 H new ATOM 0 HD2 TYR A 89 10.481 -0.224 -6.068 1.00 0.00 H new ATOM 0 HE1 TYR A 89 8.230 -1.103 -10.353 1.00 0.00 H new ATOM 0 HE2 TYR A 89 9.676 1.650 -7.435 1.00 0.00 H new ATOM 0 HH TYR A 89 7.933 1.089 -10.495 1.00 0.00 H new ATOM 1426 N VAL A 90 13.163 -1.584 -6.128 1.00 0.00 N ATOM 1427 CA VAL A 90 14.039 -0.423 -6.235 1.00 0.00 C ATOM 1428 C VAL A 90 15.425 -0.824 -6.728 1.00 0.00 C ATOM 1429 O VAL A 90 16.077 -0.074 -7.454 1.00 0.00 O ATOM 1430 CB VAL A 90 14.177 0.302 -4.883 1.00 0.00 C ATOM 1431 CG1 VAL A 90 12.928 1.117 -4.585 1.00 0.00 C ATOM 1432 CG2 VAL A 90 14.451 -0.696 -3.769 1.00 0.00 C ATOM 0 H VAL A 90 13.016 -1.915 -5.174 1.00 0.00 H new ATOM 0 HA VAL A 90 13.581 0.254 -6.957 1.00 0.00 H new ATOM 0 HB VAL A 90 15.023 0.987 -4.942 1.00 0.00 H new ATOM 0 HG11 VAL A 90 13.043 1.622 -3.626 1.00 0.00 H new ATOM 0 HG12 VAL A 90 12.781 1.858 -5.370 1.00 0.00 H new ATOM 0 HG13 VAL A 90 12.063 0.455 -4.545 1.00 0.00 H new ATOM 0 HG21 VAL A 90 14.546 -0.166 -2.821 1.00 0.00 H new ATOM 0 HG22 VAL A 90 13.627 -1.407 -3.707 1.00 0.00 H new ATOM 0 HG23 VAL A 90 15.377 -1.231 -3.980 1.00 0.00 H new ATOM 1442 N GLU A 91 15.869 -2.012 -6.329 1.00 0.00 N ATOM 1443 CA GLU A 91 17.178 -2.512 -6.730 1.00 0.00 C ATOM 1444 C GLU A 91 17.179 -2.914 -8.202 1.00 0.00 C ATOM 1445 O GLU A 91 18.035 -2.481 -8.974 1.00 0.00 O ATOM 1446 CB GLU A 91 17.580 -3.708 -5.864 1.00 0.00 C ATOM 1447 CG GLU A 91 17.785 -3.357 -4.400 1.00 0.00 C ATOM 1448 CD GLU A 91 19.169 -2.802 -4.121 1.00 0.00 C ATOM 1449 OE1 GLU A 91 19.366 -1.583 -4.306 1.00 0.00 O ATOM 1450 OE2 GLU A 91 20.053 -3.586 -3.720 1.00 0.00 O ATOM 0 H GLU A 91 15.341 -2.645 -5.729 1.00 0.00 H new ATOM 0 HA GLU A 91 17.903 -1.710 -6.589 1.00 0.00 H new ATOM 0 HB2 GLU A 91 16.811 -4.476 -5.941 1.00 0.00 H new ATOM 0 HB3 GLU A 91 18.501 -4.138 -6.258 1.00 0.00 H new ATOM 0 HG2 GLU A 91 17.036 -2.625 -4.098 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.625 -4.247 -3.791 1.00 0.00 H new