USER MOD reduce.3.24.130724 H: found=0, std=0, add=1000, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 995 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 94 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 97 HIS : no HD1:sc= -6.64! C(o=-6.6!,f=-8.2!) USER MOD Set 2.1: A 71 SER OG : rot -168:sc= -1.76 USER MOD Set 2.2: A 78 CYS SG : rot 60:sc= -1.18 USER MOD Set 3.1: A 73 THR OG1 : rot 180:sc= 0.0311 USER MOD Set 3.2: A 75 ASN : amide:sc= -0.0492 X(o=-0.018,f=0.031) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot -90:sc= -0.708 USER MOD Single : A 12 SER OG : rot -148:sc= 0.622 USER MOD Single : A 13 ASN : amide:sc= -1.14 K(o=-1.1,f=-2.5!) USER MOD Single : A 16 HIS : no HD1:sc= -6.04! C(o=-6!,f=-7!) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc=-0.00523 X(o=-0.0052,f=0) USER MOD Single : A 36 HIS : no HD1:sc= -1.12 X(o=-1.1,f=-1.4) USER MOD Single : A 38 GLN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 40 GLN : amide:sc= -0.219 K(o=-0.22,f=-1.8!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 160:sc= 1.06 USER MOD Single : A 50 TYR OH : rot 180:sc=-0.000497 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot -96:sc= 0.382 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0216 USER MOD Single : A 58 GLN :FLIP amide:sc= -1.04 F(o=-1.9!,f=-1) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 169:sc= -2.33! (180deg=-2.53!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0213 USER MOD Single : A 69 TYR OH : rot -155:sc= 0.142 USER MOD Single : A 72 GLN : amide:sc= -0.0197 X(o=-0.02,f=-0.077) USER MOD Single : A 87 ASN : amide:sc= -0.104 K(o=-0.1,f=-1.8) USER MOD Single : A 88 HIS : no HD1:sc= -0.598 X(o=-0.6,f=-0.28) USER MOD Single : A 89 TYR OH : rot 180:sc= -1.22 USER MOD Single : A 90 ASN : amide:sc= -0.872 K(o=-0.87,f=-3.1!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 165:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 176:sc= 1.21 (180deg=1.16) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= -1.81 K(o=-1.8,f=-4.5!) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 ASN : amide:sc= -0.148 K(o=-0.15,f=-1.4) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 CYS SG : rot 26:sc= -0.872 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot -79:sc= 0.643 USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 120 TYR OH : rot 30:sc= -0.397 USER MOD Single : A 122 GLN :FLIP amide:sc= -0.45 F(o=-2.1,f=-0.45) USER MOD Single : A 123 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 97 N PRO A 6 9.681 -8.343 1.700 1.00 0.00 N ATOM 98 CA PRO A 6 9.133 -7.154 1.071 1.00 0.00 C ATOM 99 C PRO A 6 8.410 -7.506 -0.230 1.00 0.00 C ATOM 100 O PRO A 6 8.523 -8.627 -0.724 1.00 0.00 O ATOM 101 CB PRO A 6 10.326 -6.236 0.857 1.00 0.00 C ATOM 102 CG PRO A 6 11.556 -7.125 0.946 1.00 0.00 C ATOM 103 CD PRO A 6 11.129 -8.454 1.547 1.00 0.00 C ATOM 0 HA PRO A 6 8.376 -6.665 1.684 1.00 0.00 H new ATOM 0 HB2 PRO A 6 10.270 -5.742 -0.113 1.00 0.00 H new ATOM 0 HB3 PRO A 6 10.356 -5.451 1.613 1.00 0.00 H new ATOM 0 HG2 PRO A 6 11.991 -7.275 -0.042 1.00 0.00 H new ATOM 0 HG3 PRO A 6 12.322 -6.656 1.563 1.00 0.00 H new ATOM 0 HD2 PRO A 6 11.396 -9.287 0.896 1.00 0.00 H new ATOM 0 HD3 PRO A 6 11.616 -8.630 2.506 1.00 0.00 H new ATOM 111 N LYS A 7 7.682 -6.528 -0.749 1.00 0.00 N ATOM 112 CA LYS A 7 6.939 -6.721 -1.983 1.00 0.00 C ATOM 113 C LYS A 7 7.037 -5.454 -2.835 1.00 0.00 C ATOM 114 O LYS A 7 7.633 -4.463 -2.415 1.00 0.00 O ATOM 115 CB LYS A 7 5.502 -7.151 -1.683 1.00 0.00 C ATOM 116 CG LYS A 7 4.854 -6.218 -0.658 1.00 0.00 C ATOM 117 CD LYS A 7 5.290 -6.576 0.764 1.00 0.00 C ATOM 118 CE LYS A 7 4.120 -7.142 1.571 1.00 0.00 C ATOM 119 NZ LYS A 7 4.262 -8.606 1.733 1.00 0.00 N ATOM 0 H LYS A 7 7.591 -5.599 -0.337 1.00 0.00 H new ATOM 0 HA LYS A 7 7.374 -7.533 -2.566 1.00 0.00 H new ATOM 0 HB2 LYS A 7 4.918 -7.148 -2.603 1.00 0.00 H new ATOM 0 HB3 LYS A 7 5.496 -8.173 -1.305 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.128 -5.186 -0.877 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.769 -6.284 -0.737 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.098 -7.307 0.727 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.684 -5.690 1.261 1.00 0.00 H new ATOM 0 HE2 LYS A 7 4.081 -6.664 2.550 1.00 0.00 H new ATOM 0 HE3 LYS A 7 3.180 -6.915 1.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.460 -8.974 2.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.277 -9.059 0.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.149 -8.815 2.233 1.00 0.00 H new ATOM 133 N LEU A 8 6.442 -5.526 -4.017 1.00 0.00 N ATOM 134 CA LEU A 8 6.454 -4.397 -4.931 1.00 0.00 C ATOM 135 C LEU A 8 5.014 -4.018 -5.285 1.00 0.00 C ATOM 136 O LEU A 8 4.177 -4.889 -5.512 1.00 0.00 O ATOM 137 CB LEU A 8 7.326 -4.704 -6.150 1.00 0.00 C ATOM 138 CG LEU A 8 8.697 -5.316 -5.856 1.00 0.00 C ATOM 139 CD1 LEU A 8 9.126 -6.264 -6.978 1.00 0.00 C ATOM 140 CD2 LEU A 8 9.740 -4.226 -5.597 1.00 0.00 C ATOM 0 H LEU A 8 5.948 -6.349 -4.362 1.00 0.00 H new ATOM 0 HA LEU A 8 6.906 -3.527 -4.456 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.778 -5.385 -6.802 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.475 -3.779 -6.708 1.00 0.00 H new ATOM 0 HG LEU A 8 8.618 -5.909 -4.945 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.104 -6.685 -6.744 1.00 0.00 H new ATOM 0 HD12 LEU A 8 8.397 -7.069 -7.073 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.183 -5.714 -7.917 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.705 -4.688 -5.391 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.824 -3.587 -6.476 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.434 -3.626 -4.740 1.00 0.00 H new ATOM 152 N LEU A 9 4.771 -2.716 -5.321 1.00 0.00 N ATOM 153 CA LEU A 9 3.448 -2.210 -5.643 1.00 0.00 C ATOM 154 C LEU A 9 3.355 -1.960 -7.149 1.00 0.00 C ATOM 155 O LEU A 9 3.995 -1.048 -7.671 1.00 0.00 O ATOM 156 CB LEU A 9 3.123 -0.979 -4.794 1.00 0.00 C ATOM 157 CG LEU A 9 2.842 -1.241 -3.313 1.00 0.00 C ATOM 158 CD1 LEU A 9 2.326 0.022 -2.621 1.00 0.00 C ATOM 159 CD2 LEU A 9 1.886 -2.423 -3.137 1.00 0.00 C ATOM 0 H LEU A 9 5.469 -1.996 -5.132 1.00 0.00 H new ATOM 0 HA LEU A 9 2.687 -2.950 -5.394 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.957 -0.281 -4.867 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.254 -0.483 -5.226 1.00 0.00 H new ATOM 0 HG LEU A 9 3.781 -1.512 -2.830 1.00 0.00 H new ATOM 0 HD11 LEU A 9 2.134 -0.192 -1.570 1.00 0.00 H new ATOM 0 HD12 LEU A 9 3.073 0.811 -2.700 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.402 0.347 -3.099 1.00 0.00 H new ATOM 0 HD21 LEU A 9 1.703 -2.588 -2.075 1.00 0.00 H new ATOM 0 HD22 LEU A 9 0.943 -2.206 -3.638 1.00 0.00 H new ATOM 0 HD23 LEU A 9 2.330 -3.318 -3.572 1.00 0.00 H new ATOM 171 N TYR A 10 2.553 -2.785 -7.806 1.00 0.00 N ATOM 172 CA TYR A 10 2.368 -2.665 -9.242 1.00 0.00 C ATOM 173 C TYR A 10 1.231 -1.695 -9.569 1.00 0.00 C ATOM 174 O TYR A 10 0.302 -1.532 -8.779 1.00 0.00 O ATOM 175 CB TYR A 10 1.989 -4.062 -9.737 1.00 0.00 C ATOM 176 CG TYR A 10 1.782 -4.150 -11.250 1.00 0.00 C ATOM 177 CD1 TYR A 10 2.827 -3.875 -12.108 1.00 0.00 C ATOM 178 CD2 TYR A 10 0.548 -4.506 -11.758 1.00 0.00 C ATOM 179 CE1 TYR A 10 2.631 -3.958 -13.532 1.00 0.00 C ATOM 180 CE2 TYR A 10 0.353 -4.590 -13.182 1.00 0.00 C ATOM 181 CZ TYR A 10 1.404 -4.312 -13.999 1.00 0.00 C ATOM 182 OH TYR A 10 1.219 -4.391 -15.344 1.00 0.00 O ATOM 0 H TYR A 10 2.024 -3.540 -7.370 1.00 0.00 H new ATOM 0 HA TYR A 10 3.274 -2.286 -9.715 1.00 0.00 H new ATOM 0 HB2 TYR A 10 2.770 -4.764 -9.446 1.00 0.00 H new ATOM 0 HB3 TYR A 10 1.074 -4.378 -9.236 1.00 0.00 H new ATOM 0 HD1 TYR A 10 3.792 -3.597 -11.711 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -0.271 -4.721 -11.087 1.00 0.00 H new ATOM 0 HE1 TYR A 10 3.441 -3.744 -14.214 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.607 -4.868 -13.592 1.00 0.00 H new ATOM 0 HH TYR A 10 0.294 -4.656 -15.532 1.00 0.00 H new ATOM 192 N CYS A 11 1.342 -1.075 -10.735 1.00 0.00 N ATOM 193 CA CYS A 11 0.334 -0.125 -11.176 1.00 0.00 C ATOM 194 C CYS A 11 -0.217 -0.601 -12.522 1.00 0.00 C ATOM 195 O CYS A 11 0.199 -0.117 -13.573 1.00 0.00 O ATOM 196 CB CYS A 11 0.895 1.296 -11.259 1.00 0.00 C ATOM 197 SG CYS A 11 -0.274 2.377 -12.162 1.00 0.00 S ATOM 0 H CYS A 11 2.114 -1.212 -11.387 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.475 -0.084 -10.447 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.066 1.688 -10.256 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.860 1.286 -11.766 1.00 0.00 H new ATOM 0 HG CYS A 11 0.003 2.351 -13.432 1.00 0.00 H new ATOM 203 N SER A 12 -1.145 -1.543 -12.445 1.00 0.00 N ATOM 204 CA SER A 12 -1.758 -2.089 -13.644 1.00 0.00 C ATOM 205 C SER A 12 -1.970 -0.980 -14.675 1.00 0.00 C ATOM 206 O SER A 12 -1.752 -1.186 -15.868 1.00 0.00 O ATOM 207 CB SER A 12 -3.088 -2.774 -13.320 1.00 0.00 C ATOM 208 OG SER A 12 -3.578 -2.406 -12.033 1.00 0.00 O ATOM 0 H SER A 12 -1.487 -1.942 -11.571 1.00 0.00 H new ATOM 0 HA SER A 12 -1.086 -2.839 -14.060 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.826 -2.510 -14.078 1.00 0.00 H new ATOM 0 HB3 SER A 12 -2.959 -3.855 -13.363 1.00 0.00 H new ATOM 0 HG SER A 12 -4.068 -3.159 -11.642 1.00 0.00 H new ATOM 214 N ASN A 13 -2.393 0.174 -14.178 1.00 0.00 N ATOM 215 CA ASN A 13 -2.636 1.316 -15.042 1.00 0.00 C ATOM 216 C ASN A 13 -1.306 1.810 -15.615 1.00 0.00 C ATOM 217 O ASN A 13 -0.827 2.882 -15.247 1.00 0.00 O ATOM 218 CB ASN A 13 -3.273 2.469 -14.264 1.00 0.00 C ATOM 219 CG ASN A 13 -3.569 3.655 -15.184 1.00 0.00 C ATOM 220 OD1 ASN A 13 -3.935 3.502 -16.338 1.00 0.00 O ATOM 221 ND2 ASN A 13 -3.392 4.842 -14.612 1.00 0.00 N ATOM 0 H ASN A 13 -2.573 0.342 -13.188 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.312 1.000 -15.836 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -4.196 2.129 -13.795 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.605 2.784 -13.462 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.564 5.695 -15.144 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -3.084 4.900 -13.641 1.00 0.00 H new ATOM 228 N GLY A 14 -0.747 1.005 -16.507 1.00 0.00 N ATOM 229 CA GLY A 14 0.518 1.347 -17.134 1.00 0.00 C ATOM 230 C GLY A 14 1.572 0.270 -16.865 1.00 0.00 C ATOM 231 O GLY A 14 2.276 -0.156 -17.779 1.00 0.00 O ATOM 0 H GLY A 14 -1.147 0.117 -16.810 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.376 1.462 -18.209 1.00 0.00 H new ATOM 0 HA3 GLY A 14 0.868 2.307 -16.754 1.00 0.00 H new ATOM 235 N GLY A 15 1.647 -0.138 -15.607 1.00 0.00 N ATOM 236 CA GLY A 15 2.602 -1.156 -15.206 1.00 0.00 C ATOM 237 C GLY A 15 3.914 -0.523 -14.736 1.00 0.00 C ATOM 238 O GLY A 15 4.841 -0.349 -15.525 1.00 0.00 O ATOM 0 H GLY A 15 1.061 0.218 -14.852 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.179 -1.761 -14.404 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.797 -1.827 -16.043 1.00 0.00 H new ATOM 242 N HIS A 16 3.949 -0.197 -13.453 1.00 0.00 N ATOM 243 CA HIS A 16 5.131 0.413 -12.868 1.00 0.00 C ATOM 244 C HIS A 16 5.173 0.118 -11.367 1.00 0.00 C ATOM 245 O HIS A 16 4.153 -0.224 -10.770 1.00 0.00 O ATOM 246 CB HIS A 16 5.181 1.911 -13.179 1.00 0.00 C ATOM 247 CG HIS A 16 5.169 2.232 -14.655 1.00 0.00 C ATOM 248 ND1 HIS A 16 4.019 2.188 -15.423 1.00 0.00 N ATOM 249 CD2 HIS A 16 6.179 2.603 -15.494 1.00 0.00 C ATOM 250 CE1 HIS A 16 4.334 2.518 -16.667 1.00 0.00 C ATOM 251 NE2 HIS A 16 5.673 2.775 -16.709 1.00 0.00 N ATOM 0 H HIS A 16 3.178 -0.344 -12.802 1.00 0.00 H new ATOM 0 HA HIS A 16 6.026 -0.022 -13.314 1.00 0.00 H new ATOM 0 HB2 HIS A 16 4.330 2.399 -12.704 1.00 0.00 H new ATOM 0 HB3 HIS A 16 6.081 2.335 -12.733 1.00 0.00 H new ATOM 0 HD2 HIS A 16 7.214 2.734 -15.217 1.00 0.00 H new ATOM 0 HE1 HIS A 16 3.651 2.574 -17.501 1.00 0.00 H new ATOM 0 HE2 HIS A 16 6.199 3.053 -17.538 1.00 0.00 H new ATOM 259 N PHE A 17 6.362 0.262 -10.801 1.00 0.00 N ATOM 260 CA PHE A 17 6.549 0.015 -9.382 1.00 0.00 C ATOM 261 C PHE A 17 6.892 1.309 -8.640 1.00 0.00 C ATOM 262 O PHE A 17 7.629 2.147 -9.156 1.00 0.00 O ATOM 263 CB PHE A 17 7.720 -0.961 -9.248 1.00 0.00 C ATOM 264 CG PHE A 17 7.400 -2.385 -9.707 1.00 0.00 C ATOM 265 CD1 PHE A 17 6.253 -2.989 -9.296 1.00 0.00 C ATOM 266 CD2 PHE A 17 8.261 -3.046 -10.525 1.00 0.00 C ATOM 267 CE1 PHE A 17 5.955 -4.311 -9.722 1.00 0.00 C ATOM 268 CE2 PHE A 17 7.964 -4.367 -10.951 1.00 0.00 C ATOM 269 CZ PHE A 17 6.817 -4.972 -10.540 1.00 0.00 C ATOM 0 H PHE A 17 7.205 0.547 -11.299 1.00 0.00 H new ATOM 0 HA PHE A 17 5.632 -0.387 -8.951 1.00 0.00 H new ATOM 0 HB2 PHE A 17 8.562 -0.584 -9.829 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.038 -0.989 -8.206 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.569 -2.464 -8.646 1.00 0.00 H new ATOM 0 HD2 PHE A 17 9.172 -2.566 -10.851 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.044 -4.791 -9.396 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.648 -4.892 -11.601 1.00 0.00 H new ATOM 0 HZ PHE A 17 6.591 -5.977 -10.863 1.00 0.00 H new ATOM 279 N LEU A 18 6.340 1.430 -7.442 1.00 0.00 N ATOM 280 CA LEU A 18 6.578 2.608 -6.624 1.00 0.00 C ATOM 281 C LEU A 18 7.948 2.490 -5.954 1.00 0.00 C ATOM 282 O LEU A 18 8.210 1.529 -5.233 1.00 0.00 O ATOM 283 CB LEU A 18 5.427 2.817 -5.638 1.00 0.00 C ATOM 284 CG LEU A 18 5.259 4.237 -5.095 1.00 0.00 C ATOM 285 CD1 LEU A 18 4.695 5.171 -6.168 1.00 0.00 C ATOM 286 CD2 LEU A 18 4.405 4.241 -3.825 1.00 0.00 C ATOM 0 H LEU A 18 5.729 0.732 -7.018 1.00 0.00 H new ATOM 0 HA LEU A 18 6.602 3.504 -7.244 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.498 2.524 -6.127 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.570 2.141 -4.795 1.00 0.00 H new ATOM 0 HG LEU A 18 6.243 4.617 -4.822 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.585 6.174 -5.756 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.376 5.201 -7.019 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.722 4.804 -6.494 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.301 5.263 -3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.419 3.833 -4.048 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.886 3.630 -3.061 1.00 0.00 H new ATOM 298 N ARG A 19 8.787 3.481 -6.217 1.00 0.00 N ATOM 299 CA ARG A 19 10.124 3.501 -5.648 1.00 0.00 C ATOM 300 C ARG A 19 10.362 4.813 -4.898 1.00 0.00 C ATOM 301 O ARG A 19 9.780 5.842 -5.238 1.00 0.00 O ATOM 302 CB ARG A 19 11.188 3.343 -6.736 1.00 0.00 C ATOM 303 CG ARG A 19 11.708 4.706 -7.196 1.00 0.00 C ATOM 304 CD ARG A 19 12.465 4.586 -8.520 1.00 0.00 C ATOM 305 NE ARG A 19 11.611 5.051 -9.636 1.00 0.00 N ATOM 306 CZ ARG A 19 12.084 5.524 -10.797 1.00 0.00 C ATOM 307 NH1 ARG A 19 13.406 5.596 -11.003 1.00 0.00 N ATOM 308 NH2 ARG A 19 11.234 5.924 -11.753 1.00 0.00 N ATOM 0 H ARG A 19 8.567 4.276 -6.817 1.00 0.00 H new ATOM 0 HA ARG A 19 10.202 2.663 -4.955 1.00 0.00 H new ATOM 0 HB2 ARG A 19 12.015 2.743 -6.356 1.00 0.00 H new ATOM 0 HB3 ARG A 19 10.768 2.805 -7.585 1.00 0.00 H new ATOM 0 HG2 ARG A 19 10.873 5.397 -7.312 1.00 0.00 H new ATOM 0 HG3 ARG A 19 12.365 5.124 -6.434 1.00 0.00 H new ATOM 0 HD2 ARG A 19 13.380 5.178 -8.480 1.00 0.00 H new ATOM 0 HD3 ARG A 19 12.762 3.550 -8.686 1.00 0.00 H new ATOM 0 HE ARG A 19 10.599 5.009 -9.514 1.00 0.00 H new ATOM 0 HH11 ARG A 19 14.053 5.291 -10.276 1.00 0.00 H new ATOM 0 HH12 ARG A 19 13.766 5.956 -11.887 1.00 0.00 H new ATOM 0 HH21 ARG A 19 10.228 5.868 -11.597 1.00 0.00 H new ATOM 0 HH22 ARG A 19 11.594 6.284 -12.637 1.00 0.00 H new ATOM 322 N ILE A 20 11.220 4.734 -3.891 1.00 0.00 N ATOM 323 CA ILE A 20 11.543 5.903 -3.090 1.00 0.00 C ATOM 324 C ILE A 20 13.057 6.119 -3.098 1.00 0.00 C ATOM 325 O ILE A 20 13.804 5.321 -2.533 1.00 0.00 O ATOM 326 CB ILE A 20 10.947 5.772 -1.687 1.00 0.00 C ATOM 327 CG1 ILE A 20 9.431 5.578 -1.751 1.00 0.00 C ATOM 328 CG2 ILE A 20 11.336 6.965 -0.812 1.00 0.00 C ATOM 329 CD1 ILE A 20 8.851 5.325 -0.357 1.00 0.00 C ATOM 0 H ILE A 20 11.701 3.879 -3.612 1.00 0.00 H new ATOM 0 HA ILE A 20 11.092 6.797 -3.521 1.00 0.00 H new ATOM 0 HB ILE A 20 11.366 4.881 -1.220 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.966 6.462 -2.187 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.196 4.738 -2.405 1.00 0.00 H new ATOM 0 HG21 ILE A 20 10.899 6.847 0.180 1.00 0.00 H new ATOM 0 HG22 ILE A 20 12.422 7.015 -0.727 1.00 0.00 H new ATOM 0 HG23 ILE A 20 10.965 7.885 -1.265 1.00 0.00 H new ATOM 0 HD11 ILE A 20 7.772 5.190 -0.431 1.00 0.00 H new ATOM 0 HD12 ILE A 20 9.300 4.427 0.067 1.00 0.00 H new ATOM 0 HD13 ILE A 20 9.067 6.177 0.287 1.00 0.00 H new ATOM 341 N LEU A 21 13.466 7.201 -3.744 1.00 0.00 N ATOM 342 CA LEU A 21 14.878 7.531 -3.832 1.00 0.00 C ATOM 343 C LEU A 21 15.312 8.243 -2.549 1.00 0.00 C ATOM 344 O LEU A 21 14.484 8.814 -1.841 1.00 0.00 O ATOM 345 CB LEU A 21 15.162 8.331 -5.105 1.00 0.00 C ATOM 346 CG LEU A 21 14.602 7.746 -6.403 1.00 0.00 C ATOM 347 CD1 LEU A 21 14.767 8.729 -7.564 1.00 0.00 C ATOM 348 CD2 LEU A 21 15.233 6.386 -6.710 1.00 0.00 C ATOM 0 H LEU A 21 12.844 7.860 -4.212 1.00 0.00 H new ATOM 0 HA LEU A 21 15.477 6.624 -3.912 1.00 0.00 H new ATOM 0 HB2 LEU A 21 14.757 9.335 -4.978 1.00 0.00 H new ATOM 0 HB3 LEU A 21 16.242 8.434 -5.212 1.00 0.00 H new ATOM 0 HG LEU A 21 13.533 7.582 -6.269 1.00 0.00 H new ATOM 0 HD11 LEU A 21 14.361 8.288 -8.474 1.00 0.00 H new ATOM 0 HD12 LEU A 21 14.233 9.652 -7.338 1.00 0.00 H new ATOM 0 HD13 LEU A 21 15.825 8.948 -7.708 1.00 0.00 H new ATOM 0 HD21 LEU A 21 14.817 5.993 -7.638 1.00 0.00 H new ATOM 0 HD22 LEU A 21 16.312 6.501 -6.816 1.00 0.00 H new ATOM 0 HD23 LEU A 21 15.020 5.694 -5.895 1.00 0.00 H new ATOM 360 N PRO A 22 16.644 8.186 -2.282 1.00 0.00 N ATOM 361 CA PRO A 22 17.198 8.818 -1.097 1.00 0.00 C ATOM 362 C PRO A 22 17.263 10.337 -1.266 1.00 0.00 C ATOM 363 O PRO A 22 17.714 11.046 -0.368 1.00 0.00 O ATOM 364 CB PRO A 22 18.567 8.182 -0.915 1.00 0.00 C ATOM 365 CG PRO A 22 18.920 7.561 -2.257 1.00 0.00 C ATOM 366 CD PRO A 22 17.655 7.519 -3.099 1.00 0.00 C ATOM 0 HA PRO A 22 16.581 8.665 -0.211 1.00 0.00 H new ATOM 0 HB2 PRO A 22 19.308 8.926 -0.622 1.00 0.00 H new ATOM 0 HB3 PRO A 22 18.546 7.427 -0.129 1.00 0.00 H new ATOM 0 HG2 PRO A 22 19.692 8.146 -2.757 1.00 0.00 H new ATOM 0 HG3 PRO A 22 19.320 6.557 -2.119 1.00 0.00 H new ATOM 0 HD2 PRO A 22 17.796 8.031 -4.051 1.00 0.00 H new ATOM 0 HD3 PRO A 22 17.366 6.493 -3.328 1.00 0.00 H new ATOM 374 N ASP A 23 16.805 10.792 -2.423 1.00 0.00 N ATOM 375 CA ASP A 23 16.805 12.214 -2.721 1.00 0.00 C ATOM 376 C ASP A 23 15.416 12.790 -2.438 1.00 0.00 C ATOM 377 O ASP A 23 15.170 13.971 -2.678 1.00 0.00 O ATOM 378 CB ASP A 23 17.132 12.468 -4.194 1.00 0.00 C ATOM 379 CG ASP A 23 18.220 13.514 -4.444 1.00 0.00 C ATOM 380 OD1 ASP A 23 18.888 13.886 -3.455 1.00 0.00 O ATOM 381 OD2 ASP A 23 18.360 13.918 -5.619 1.00 0.00 O ATOM 0 H ASP A 23 16.431 10.201 -3.165 1.00 0.00 H new ATOM 0 HA ASP A 23 17.562 12.690 -2.097 1.00 0.00 H new ATOM 0 HB2 ASP A 23 17.442 11.527 -4.649 1.00 0.00 H new ATOM 0 HB3 ASP A 23 16.222 12.784 -4.703 1.00 0.00 H new ATOM 386 N GLY A 24 14.546 11.929 -1.932 1.00 0.00 N ATOM 387 CA GLY A 24 13.188 12.338 -1.614 1.00 0.00 C ATOM 388 C GLY A 24 12.325 12.402 -2.876 1.00 0.00 C ATOM 389 O GLY A 24 11.619 13.384 -3.101 1.00 0.00 O ATOM 0 H GLY A 24 14.754 10.950 -1.734 1.00 0.00 H new ATOM 0 HA2 GLY A 24 12.750 11.636 -0.905 1.00 0.00 H new ATOM 0 HA3 GLY A 24 13.202 13.314 -1.129 1.00 0.00 H new ATOM 393 N THR A 25 12.409 11.342 -3.666 1.00 0.00 N ATOM 394 CA THR A 25 11.645 11.265 -4.900 1.00 0.00 C ATOM 395 C THR A 25 10.809 9.983 -4.930 1.00 0.00 C ATOM 396 O THR A 25 11.266 8.929 -4.491 1.00 0.00 O ATOM 397 CB THR A 25 12.623 11.379 -6.070 1.00 0.00 C ATOM 398 OG1 THR A 25 12.860 12.779 -6.188 1.00 0.00 O ATOM 399 CG2 THR A 25 11.984 10.996 -7.407 1.00 0.00 C ATOM 0 H THR A 25 12.995 10.529 -3.476 1.00 0.00 H new ATOM 0 HA THR A 25 10.930 12.085 -4.974 1.00 0.00 H new ATOM 0 HB THR A 25 13.487 10.741 -5.884 1.00 0.00 H new ATOM 0 HG1 THR A 25 13.486 12.944 -6.923 1.00 0.00 H new ATOM 0 HG21 THR A 25 12.721 11.094 -8.204 1.00 0.00 H new ATOM 0 HG22 THR A 25 11.635 9.965 -7.361 1.00 0.00 H new ATOM 0 HG23 THR A 25 11.140 11.656 -7.609 1.00 0.00 H new ATOM 407 N VAL A 26 9.598 10.117 -5.451 1.00 0.00 N ATOM 408 CA VAL A 26 8.694 8.983 -5.544 1.00 0.00 C ATOM 409 C VAL A 26 8.045 8.967 -6.929 1.00 0.00 C ATOM 410 O VAL A 26 7.265 9.857 -7.264 1.00 0.00 O ATOM 411 CB VAL A 26 7.673 9.033 -4.406 1.00 0.00 C ATOM 412 CG1 VAL A 26 6.967 7.686 -4.243 1.00 0.00 C ATOM 413 CG2 VAL A 26 8.334 9.467 -3.096 1.00 0.00 C ATOM 0 H VAL A 26 9.222 10.993 -5.813 1.00 0.00 H new ATOM 0 HA VAL A 26 9.242 8.047 -5.430 1.00 0.00 H new ATOM 0 HB VAL A 26 6.919 9.777 -4.664 1.00 0.00 H new ATOM 0 HG11 VAL A 26 6.247 7.749 -3.427 1.00 0.00 H new ATOM 0 HG12 VAL A 26 6.447 7.433 -5.167 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.703 6.914 -4.018 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.587 9.495 -2.303 1.00 0.00 H new ATOM 0 HG22 VAL A 26 9.118 8.757 -2.831 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.769 10.459 -3.219 1.00 0.00 H new ATOM 423 N ASP A 27 8.390 7.944 -7.697 1.00 0.00 N ATOM 424 CA ASP A 27 7.850 7.799 -9.039 1.00 0.00 C ATOM 425 C ASP A 27 7.738 6.313 -9.382 1.00 0.00 C ATOM 426 O ASP A 27 8.365 5.474 -8.736 1.00 0.00 O ATOM 427 CB ASP A 27 8.765 8.456 -10.074 1.00 0.00 C ATOM 428 CG ASP A 27 10.176 8.779 -9.578 1.00 0.00 C ATOM 429 OD1 ASP A 27 10.865 7.821 -9.166 1.00 0.00 O ATOM 430 OD2 ASP A 27 10.533 9.976 -9.623 1.00 0.00 O ATOM 0 H ASP A 27 9.037 7.207 -7.416 1.00 0.00 H new ATOM 0 HA ASP A 27 6.873 8.281 -9.063 1.00 0.00 H new ATOM 0 HB2 ASP A 27 8.842 7.797 -10.939 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.297 9.379 -10.417 1.00 0.00 H new ATOM 435 N GLY A 28 6.935 6.031 -10.397 1.00 0.00 N ATOM 436 CA GLY A 28 6.734 4.660 -10.834 1.00 0.00 C ATOM 437 C GLY A 28 7.833 4.226 -11.805 1.00 0.00 C ATOM 438 O GLY A 28 8.281 5.017 -12.635 1.00 0.00 O ATOM 0 H GLY A 28 6.416 6.729 -10.930 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.726 3.997 -9.969 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.761 4.567 -11.316 1.00 0.00 H new ATOM 442 N THR A 29 8.237 2.972 -11.670 1.00 0.00 N ATOM 443 CA THR A 29 9.276 2.423 -12.526 1.00 0.00 C ATOM 444 C THR A 29 9.014 0.941 -12.799 1.00 0.00 C ATOM 445 O THR A 29 8.727 0.178 -11.878 1.00 0.00 O ATOM 446 CB THR A 29 10.627 2.690 -11.859 1.00 0.00 C ATOM 447 OG1 THR A 29 11.579 2.412 -12.882 1.00 0.00 O ATOM 448 CG2 THR A 29 10.949 1.672 -10.763 1.00 0.00 C ATOM 0 H THR A 29 7.864 2.320 -10.981 1.00 0.00 H new ATOM 0 HA THR A 29 9.280 2.905 -13.504 1.00 0.00 H new ATOM 0 HB THR A 29 10.631 3.694 -11.435 1.00 0.00 H new ATOM 0 HG1 THR A 29 12.484 2.561 -12.536 1.00 0.00 H new ATOM 0 HG21 THR A 29 11.918 1.906 -10.322 1.00 0.00 H new ATOM 0 HG22 THR A 29 10.180 1.712 -9.992 1.00 0.00 H new ATOM 0 HG23 THR A 29 10.979 0.671 -11.194 1.00 0.00 H new ATOM 456 N ARG A 30 9.123 0.577 -14.068 1.00 0.00 N ATOM 457 CA ARG A 30 8.903 -0.800 -14.474 1.00 0.00 C ATOM 458 C ARG A 30 10.239 -1.493 -14.748 1.00 0.00 C ATOM 459 O ARG A 30 10.457 -2.019 -15.839 1.00 0.00 O ATOM 460 CB ARG A 30 8.031 -0.872 -15.729 1.00 0.00 C ATOM 461 CG ARG A 30 8.345 0.285 -16.681 1.00 0.00 C ATOM 462 CD ARG A 30 7.861 -0.025 -18.099 1.00 0.00 C ATOM 463 NE ARG A 30 8.375 0.991 -19.043 1.00 0.00 N ATOM 464 CZ ARG A 30 8.406 0.834 -20.374 1.00 0.00 C ATOM 465 NH1 ARG A 30 7.951 -0.300 -20.925 1.00 0.00 N ATOM 466 NH2 ARG A 30 8.891 1.810 -21.153 1.00 0.00 N ATOM 0 H ARG A 30 9.361 1.213 -14.829 1.00 0.00 H new ATOM 0 HA ARG A 30 8.388 -1.308 -13.659 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.197 -1.822 -16.238 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.978 -0.841 -15.447 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.868 1.196 -16.321 1.00 0.00 H new ATOM 0 HG3 ARG A 30 9.419 0.470 -16.692 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.200 -1.017 -18.399 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.771 -0.039 -18.125 1.00 0.00 H new ATOM 0 HE ARG A 30 8.728 1.867 -18.657 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.581 -1.043 -20.332 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.974 -0.420 -21.938 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.237 2.673 -20.733 1.00 0.00 H new ATOM 0 HH22 ARG A 30 8.914 1.690 -22.166 1.00 0.00 H new ATOM 480 N ASP A 31 11.099 -1.471 -13.741 1.00 0.00 N ATOM 481 CA ASP A 31 12.408 -2.091 -13.860 1.00 0.00 C ATOM 482 C ASP A 31 12.779 -2.747 -12.529 1.00 0.00 C ATOM 483 O ASP A 31 13.415 -2.123 -11.681 1.00 0.00 O ATOM 484 CB ASP A 31 13.481 -1.052 -14.190 1.00 0.00 C ATOM 485 CG ASP A 31 14.659 -1.578 -15.012 1.00 0.00 C ATOM 486 OD1 ASP A 31 14.397 -2.071 -16.130 1.00 0.00 O ATOM 487 OD2 ASP A 31 15.796 -1.477 -14.502 1.00 0.00 O ATOM 0 H ASP A 31 10.915 -1.033 -12.838 1.00 0.00 H new ATOM 0 HA ASP A 31 12.361 -2.828 -14.662 1.00 0.00 H new ATOM 0 HB2 ASP A 31 13.015 -0.231 -14.735 1.00 0.00 H new ATOM 0 HB3 ASP A 31 13.864 -0.639 -13.257 1.00 0.00 H new ATOM 492 N ARG A 32 12.367 -3.998 -12.387 1.00 0.00 N ATOM 493 CA ARG A 32 12.648 -4.746 -11.173 1.00 0.00 C ATOM 494 C ARG A 32 14.067 -4.449 -10.684 1.00 0.00 C ATOM 495 O ARG A 32 14.311 -4.381 -9.481 1.00 0.00 O ATOM 496 CB ARG A 32 12.501 -6.251 -11.407 1.00 0.00 C ATOM 497 CG ARG A 32 11.038 -6.628 -11.650 1.00 0.00 C ATOM 498 CD ARG A 32 10.757 -6.799 -13.145 1.00 0.00 C ATOM 499 NE ARG A 32 10.710 -8.238 -13.489 1.00 0.00 N ATOM 500 CZ ARG A 32 10.078 -8.733 -14.561 1.00 0.00 C ATOM 501 NH1 ARG A 32 9.435 -7.910 -15.400 1.00 0.00 N ATOM 502 NH2 ARG A 32 10.089 -10.053 -14.795 1.00 0.00 N ATOM 0 H ARG A 32 11.841 -4.513 -13.093 1.00 0.00 H new ATOM 0 HA ARG A 32 11.927 -4.435 -10.417 1.00 0.00 H new ATOM 0 HB2 ARG A 32 13.104 -6.550 -12.264 1.00 0.00 H new ATOM 0 HB3 ARG A 32 12.882 -6.796 -10.543 1.00 0.00 H new ATOM 0 HG2 ARG A 32 10.805 -7.554 -11.124 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.387 -5.856 -11.240 1.00 0.00 H new ATOM 0 HD2 ARG A 32 9.810 -6.324 -13.402 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.532 -6.302 -13.728 1.00 0.00 H new ATOM 0 HE ARG A 32 11.189 -8.893 -12.871 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.427 -6.906 -15.223 1.00 0.00 H new ATOM 0 HH12 ARG A 32 8.954 -8.288 -16.216 1.00 0.00 H new ATOM 0 HH21 ARG A 32 10.579 -10.680 -14.157 1.00 0.00 H new ATOM 0 HH22 ARG A 32 9.608 -10.430 -15.611 1.00 0.00 H new ATOM 516 N SER A 33 14.966 -4.282 -11.643 1.00 0.00 N ATOM 517 CA SER A 33 16.355 -3.994 -11.325 1.00 0.00 C ATOM 518 C SER A 33 16.431 -3.049 -10.125 1.00 0.00 C ATOM 519 O SER A 33 17.145 -3.321 -9.160 1.00 0.00 O ATOM 520 CB SER A 33 17.080 -3.386 -12.527 1.00 0.00 C ATOM 521 OG SER A 33 18.304 -4.060 -12.808 1.00 0.00 O ATOM 0 H SER A 33 14.760 -4.341 -12.640 1.00 0.00 H new ATOM 0 HA SER A 33 16.850 -4.932 -11.073 1.00 0.00 H new ATOM 0 HB2 SER A 33 16.432 -3.431 -13.402 1.00 0.00 H new ATOM 0 HB3 SER A 33 17.282 -2.332 -12.334 1.00 0.00 H new ATOM 0 HG SER A 33 18.736 -3.644 -13.583 1.00 0.00 H new ATOM 527 N ASP A 34 15.687 -1.957 -10.223 1.00 0.00 N ATOM 528 CA ASP A 34 15.662 -0.970 -9.157 1.00 0.00 C ATOM 529 C ASP A 34 15.547 -1.684 -7.809 1.00 0.00 C ATOM 530 O ASP A 34 14.834 -2.679 -7.688 1.00 0.00 O ATOM 531 CB ASP A 34 14.459 -0.035 -9.301 1.00 0.00 C ATOM 532 CG ASP A 34 14.807 1.424 -9.602 1.00 0.00 C ATOM 533 OD1 ASP A 34 15.993 1.774 -9.419 1.00 0.00 O ATOM 534 OD2 ASP A 34 13.878 2.156 -10.008 1.00 0.00 O ATOM 0 H ASP A 34 15.097 -1.734 -11.024 1.00 0.00 H new ATOM 0 HA ASP A 34 16.581 -0.387 -9.215 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.818 -0.412 -10.098 1.00 0.00 H new ATOM 0 HB3 ASP A 34 13.877 -0.072 -8.380 1.00 0.00 H new ATOM 539 N GLN A 35 16.261 -1.148 -6.830 1.00 0.00 N ATOM 540 CA GLN A 35 16.248 -1.722 -5.495 1.00 0.00 C ATOM 541 C GLN A 35 15.468 -0.820 -4.536 1.00 0.00 C ATOM 542 O GLN A 35 15.081 -1.249 -3.451 1.00 0.00 O ATOM 543 CB GLN A 35 17.672 -1.960 -4.987 1.00 0.00 C ATOM 544 CG GLN A 35 18.341 -3.106 -5.749 1.00 0.00 C ATOM 545 CD GLN A 35 19.822 -3.217 -5.382 1.00 0.00 C ATOM 546 OE1 GLN A 35 20.256 -4.141 -4.714 1.00 0.00 O ATOM 547 NE2 GLN A 35 20.572 -2.225 -5.855 1.00 0.00 N ATOM 0 H GLN A 35 16.852 -0.323 -6.934 1.00 0.00 H new ATOM 0 HA GLN A 35 15.747 -2.689 -5.542 1.00 0.00 H new ATOM 0 HB2 GLN A 35 18.260 -1.050 -5.102 1.00 0.00 H new ATOM 0 HB3 GLN A 35 17.648 -2.191 -3.922 1.00 0.00 H new ATOM 0 HG2 GLN A 35 17.835 -4.044 -5.521 1.00 0.00 H new ATOM 0 HG3 GLN A 35 18.240 -2.942 -6.822 1.00 0.00 H new ATOM 0 HE21 GLN A 35 20.145 -1.482 -6.408 1.00 0.00 H new ATOM 0 HE22 GLN A 35 21.574 -2.208 -5.665 1.00 0.00 H new ATOM 556 N HIS A 36 15.261 0.414 -4.973 1.00 0.00 N ATOM 557 CA HIS A 36 14.534 1.381 -4.168 1.00 0.00 C ATOM 558 C HIS A 36 13.037 1.073 -4.224 1.00 0.00 C ATOM 559 O HIS A 36 12.246 1.685 -3.508 1.00 0.00 O ATOM 560 CB HIS A 36 14.863 2.809 -4.605 1.00 0.00 C ATOM 561 CG HIS A 36 16.324 3.036 -4.912 1.00 0.00 C ATOM 562 ND1 HIS A 36 16.895 2.705 -6.129 1.00 0.00 N ATOM 563 CD2 HIS A 36 17.324 3.566 -4.150 1.00 0.00 C ATOM 564 CE1 HIS A 36 18.180 3.023 -6.089 1.00 0.00 C ATOM 565 NE2 HIS A 36 18.444 3.556 -4.861 1.00 0.00 N ATOM 0 H HIS A 36 15.584 0.766 -5.874 1.00 0.00 H new ATOM 0 HA HIS A 36 14.847 1.301 -3.127 1.00 0.00 H new ATOM 0 HB2 HIS A 36 14.274 3.052 -5.490 1.00 0.00 H new ATOM 0 HB3 HIS A 36 14.556 3.499 -3.819 1.00 0.00 H new ATOM 0 HD2 HIS A 36 17.221 3.932 -3.139 1.00 0.00 H new ATOM 0 HE1 HIS A 36 18.893 2.885 -6.888 1.00 0.00 H new ATOM 0 HE2 HIS A 36 19.353 3.892 -4.542 1.00 0.00 H new ATOM 573 N ILE A 37 12.692 0.126 -5.084 1.00 0.00 N ATOM 574 CA ILE A 37 11.303 -0.270 -5.244 1.00 0.00 C ATOM 575 C ILE A 37 10.939 -1.287 -4.159 1.00 0.00 C ATOM 576 O ILE A 37 9.761 -1.530 -3.902 1.00 0.00 O ATOM 577 CB ILE A 37 11.049 -0.772 -6.667 1.00 0.00 C ATOM 578 CG1 ILE A 37 12.006 -1.911 -7.025 1.00 0.00 C ATOM 579 CG2 ILE A 37 11.122 0.377 -7.674 1.00 0.00 C ATOM 580 CD1 ILE A 37 11.447 -2.757 -8.171 1.00 0.00 C ATOM 0 H ILE A 37 13.350 -0.379 -5.677 1.00 0.00 H new ATOM 0 HA ILE A 37 10.645 0.588 -5.111 1.00 0.00 H new ATOM 0 HB ILE A 37 10.038 -1.176 -6.712 1.00 0.00 H new ATOM 0 HG12 ILE A 37 12.975 -1.501 -7.310 1.00 0.00 H new ATOM 0 HG13 ILE A 37 12.171 -2.540 -6.151 1.00 0.00 H new ATOM 0 HG21 ILE A 37 10.938 -0.006 -8.678 1.00 0.00 H new ATOM 0 HG22 ILE A 37 10.369 1.125 -7.428 1.00 0.00 H new ATOM 0 HG23 ILE A 37 12.112 0.832 -7.635 1.00 0.00 H new ATOM 0 HD11 ILE A 37 12.146 -3.559 -8.406 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.490 -3.185 -7.874 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.306 -2.130 -9.051 1.00 0.00 H new ATOM 592 N GLN A 38 11.972 -1.852 -3.552 1.00 0.00 N ATOM 593 CA GLN A 38 11.775 -2.837 -2.502 1.00 0.00 C ATOM 594 C GLN A 38 11.147 -2.180 -1.270 1.00 0.00 C ATOM 595 O GLN A 38 11.853 -1.806 -0.335 1.00 0.00 O ATOM 596 CB GLN A 38 13.093 -3.526 -2.143 1.00 0.00 C ATOM 597 CG GLN A 38 13.375 -4.696 -3.089 1.00 0.00 C ATOM 598 CD GLN A 38 14.485 -5.592 -2.537 1.00 0.00 C ATOM 599 OE1 GLN A 38 14.048 -6.586 -1.770 1.00 0.00 O flip ATOM 600 NE2 GLN A 38 15.662 -5.394 -2.792 1.00 0.00 N flip ATOM 0 H GLN A 38 12.948 -1.647 -3.767 1.00 0.00 H new ATOM 0 HA GLN A 38 11.092 -3.602 -2.871 1.00 0.00 H new ATOM 0 HB2 GLN A 38 13.910 -2.806 -2.195 1.00 0.00 H new ATOM 0 HB3 GLN A 38 13.051 -3.886 -1.115 1.00 0.00 H new ATOM 0 HG2 GLN A 38 12.466 -5.281 -3.230 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.664 -4.315 -4.069 1.00 0.00 H new ATOM 0 HE21 GLN A 38 15.930 -4.611 -3.389 1.00 0.00 H new ATOM 0 HE22 GLN A 38 16.378 -6.011 -2.408 1.00 0.00 H new ATOM 609 N LEU A 39 9.829 -2.061 -1.311 1.00 0.00 N ATOM 610 CA LEU A 39 9.098 -1.457 -0.210 1.00 0.00 C ATOM 611 C LEU A 39 8.621 -2.554 0.744 1.00 0.00 C ATOM 612 O LEU A 39 8.263 -3.647 0.308 1.00 0.00 O ATOM 613 CB LEU A 39 7.970 -0.569 -0.739 1.00 0.00 C ATOM 614 CG LEU A 39 8.395 0.781 -1.320 1.00 0.00 C ATOM 615 CD1 LEU A 39 7.268 1.401 -2.149 1.00 0.00 C ATOM 616 CD2 LEU A 39 8.882 1.724 -0.218 1.00 0.00 C ATOM 0 H LEU A 39 9.248 -2.372 -2.089 1.00 0.00 H new ATOM 0 HA LEU A 39 9.750 -0.798 0.363 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.432 -1.120 -1.510 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.266 -0.387 0.073 1.00 0.00 H new ATOM 0 HG LEU A 39 9.235 0.613 -1.994 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.597 2.360 -2.550 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.011 0.733 -2.971 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.393 1.553 -1.517 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.178 2.676 -0.658 1.00 0.00 H new ATOM 0 HD22 LEU A 39 8.079 1.890 0.500 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.737 1.278 0.291 1.00 0.00 H new ATOM 628 N GLN A 40 8.631 -2.225 2.027 1.00 0.00 N ATOM 629 CA GLN A 40 8.204 -3.169 3.045 1.00 0.00 C ATOM 630 C GLN A 40 6.838 -2.766 3.603 1.00 0.00 C ATOM 631 O GLN A 40 6.705 -1.717 4.232 1.00 0.00 O ATOM 632 CB GLN A 40 9.243 -3.276 4.164 1.00 0.00 C ATOM 633 CG GLN A 40 9.830 -4.688 4.233 1.00 0.00 C ATOM 634 CD GLN A 40 9.881 -5.190 5.677 1.00 0.00 C ATOM 635 OE1 GLN A 40 9.125 -4.767 6.536 1.00 0.00 O ATOM 636 NE2 GLN A 40 10.813 -6.114 5.896 1.00 0.00 N ATOM 0 H GLN A 40 8.928 -1.317 2.385 1.00 0.00 H new ATOM 0 HA GLN A 40 8.111 -4.153 2.584 1.00 0.00 H new ATOM 0 HB2 GLN A 40 10.042 -2.554 3.994 1.00 0.00 H new ATOM 0 HB3 GLN A 40 8.782 -3.023 5.119 1.00 0.00 H new ATOM 0 HG2 GLN A 40 9.227 -5.366 3.629 1.00 0.00 H new ATOM 0 HG3 GLN A 40 10.834 -4.690 3.808 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.413 -6.424 5.132 1.00 0.00 H new ATOM 0 HE22 GLN A 40 10.927 -6.512 6.828 1.00 0.00 H new ATOM 645 N LEU A 41 5.857 -3.620 3.353 1.00 0.00 N ATOM 646 CA LEU A 41 4.505 -3.366 3.823 1.00 0.00 C ATOM 647 C LEU A 41 4.286 -4.092 5.151 1.00 0.00 C ATOM 648 O LEU A 41 4.635 -5.264 5.287 1.00 0.00 O ATOM 649 CB LEU A 41 3.485 -3.736 2.744 1.00 0.00 C ATOM 650 CG LEU A 41 3.306 -2.721 1.614 1.00 0.00 C ATOM 651 CD1 LEU A 41 4.571 -1.883 1.424 1.00 0.00 C ATOM 652 CD2 LEU A 41 2.878 -3.414 0.318 1.00 0.00 C ATOM 0 H LEU A 41 5.971 -4.489 2.831 1.00 0.00 H new ATOM 0 HA LEU A 41 4.362 -2.302 4.014 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.779 -4.690 2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 41 2.518 -3.890 3.224 1.00 0.00 H new ATOM 0 HG LEU A 41 2.505 -2.036 1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.417 -1.169 0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.792 -1.344 2.345 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.407 -2.537 1.176 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.758 -2.670 -0.470 1.00 0.00 H new ATOM 0 HD22 LEU A 41 3.640 -4.135 0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.931 -3.931 0.477 1.00 0.00 H new ATOM 664 N SER A 42 3.711 -3.366 6.098 1.00 0.00 N ATOM 665 CA SER A 42 3.442 -3.926 7.412 1.00 0.00 C ATOM 666 C SER A 42 2.018 -3.577 7.848 1.00 0.00 C ATOM 667 O SER A 42 1.409 -2.654 7.309 1.00 0.00 O ATOM 668 CB SER A 42 4.452 -3.421 8.444 1.00 0.00 C ATOM 669 OG SER A 42 5.776 -3.377 7.918 1.00 0.00 O ATOM 0 H SER A 42 3.424 -2.394 5.982 1.00 0.00 H new ATOM 0 HA SER A 42 3.540 -5.010 7.348 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.161 -2.425 8.778 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.431 -4.070 9.320 1.00 0.00 H new ATOM 0 HG SER A 42 6.391 -3.048 8.607 1.00 0.00 H new ATOM 675 N ALA A 43 1.528 -4.333 8.820 1.00 0.00 N ATOM 676 CA ALA A 43 0.187 -4.114 9.335 1.00 0.00 C ATOM 677 C ALA A 43 0.268 -3.758 10.820 1.00 0.00 C ATOM 678 O ALA A 43 0.928 -4.450 11.594 1.00 0.00 O ATOM 679 CB ALA A 43 -0.667 -5.357 9.079 1.00 0.00 C ATOM 0 H ALA A 43 2.036 -5.098 9.264 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.290 -3.279 8.822 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.673 -5.193 9.465 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.717 -5.550 8.007 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.221 -6.215 9.582 1.00 0.00 H new ATOM 685 N GLU A 44 -0.413 -2.678 11.175 1.00 0.00 N ATOM 686 CA GLU A 44 -0.427 -2.221 12.554 1.00 0.00 C ATOM 687 C GLU A 44 -1.850 -2.269 13.115 1.00 0.00 C ATOM 688 O GLU A 44 -2.081 -2.830 14.185 1.00 0.00 O ATOM 689 CB GLU A 44 0.162 -0.814 12.672 1.00 0.00 C ATOM 690 CG GLU A 44 1.582 -0.765 12.106 1.00 0.00 C ATOM 691 CD GLU A 44 2.288 0.532 12.508 1.00 0.00 C ATOM 692 OE1 GLU A 44 1.698 1.269 13.327 1.00 0.00 O ATOM 693 OE2 GLU A 44 3.402 0.757 11.987 1.00 0.00 O ATOM 0 H GLU A 44 -0.959 -2.106 10.531 1.00 0.00 H new ATOM 0 HA GLU A 44 0.198 -2.891 13.144 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.471 -0.105 12.138 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.173 -0.507 13.718 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.152 -1.621 12.469 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.547 -0.843 11.019 1.00 0.00 H new ATOM 700 N SER A 45 -2.767 -1.673 12.367 1.00 0.00 N ATOM 701 CA SER A 45 -4.161 -1.640 12.776 1.00 0.00 C ATOM 702 C SER A 45 -5.052 -2.140 11.637 1.00 0.00 C ATOM 703 O SER A 45 -4.606 -2.245 10.495 1.00 0.00 O ATOM 704 CB SER A 45 -4.578 -0.230 13.197 1.00 0.00 C ATOM 705 OG SER A 45 -3.463 0.651 13.291 1.00 0.00 O ATOM 0 H SER A 45 -2.572 -1.209 11.480 1.00 0.00 H new ATOM 0 HA SER A 45 -4.281 -2.297 13.637 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.294 0.167 12.477 1.00 0.00 H new ATOM 0 HB3 SER A 45 -5.087 -0.275 14.160 1.00 0.00 H new ATOM 0 HG SER A 45 -3.774 1.579 13.243 1.00 0.00 H new ATOM 711 N VAL A 46 -6.296 -2.434 11.987 1.00 0.00 N ATOM 712 CA VAL A 46 -7.253 -2.920 11.008 1.00 0.00 C ATOM 713 C VAL A 46 -7.325 -1.936 9.839 1.00 0.00 C ATOM 714 O VAL A 46 -7.572 -0.748 10.037 1.00 0.00 O ATOM 715 CB VAL A 46 -8.610 -3.155 11.676 1.00 0.00 C ATOM 716 CG1 VAL A 46 -9.710 -3.346 10.630 1.00 0.00 C ATOM 717 CG2 VAL A 46 -8.551 -4.347 12.633 1.00 0.00 C ATOM 0 H VAL A 46 -6.663 -2.345 12.935 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.933 -3.881 10.605 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.854 -2.268 12.261 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.664 -3.511 11.131 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.777 -2.455 10.006 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -9.474 -4.208 10.007 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.528 -4.492 13.094 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.274 -5.244 12.080 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.809 -4.155 13.408 1.00 0.00 H new ATOM 727 N GLY A 47 -7.104 -2.468 8.646 1.00 0.00 N ATOM 728 CA GLY A 47 -7.140 -1.651 7.444 1.00 0.00 C ATOM 729 C GLY A 47 -6.006 -0.624 7.445 1.00 0.00 C ATOM 730 O GLY A 47 -6.014 0.316 6.652 1.00 0.00 O ATOM 0 H GLY A 47 -6.899 -3.454 8.486 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.057 -2.289 6.564 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.100 -1.138 7.377 1.00 0.00 H new ATOM 734 N GLU A 48 -5.057 -0.838 8.345 1.00 0.00 N ATOM 735 CA GLU A 48 -3.918 0.057 8.459 1.00 0.00 C ATOM 736 C GLU A 48 -2.630 -0.671 8.072 1.00 0.00 C ATOM 737 O GLU A 48 -2.274 -1.678 8.682 1.00 0.00 O ATOM 738 CB GLU A 48 -3.817 0.637 9.871 1.00 0.00 C ATOM 739 CG GLU A 48 -4.849 1.746 10.084 1.00 0.00 C ATOM 740 CD GLU A 48 -4.242 2.920 10.854 1.00 0.00 C ATOM 741 OE1 GLU A 48 -3.934 2.717 12.048 1.00 0.00 O ATOM 742 OE2 GLU A 48 -4.099 3.995 10.231 1.00 0.00 O ATOM 0 H GLU A 48 -5.054 -1.618 9.002 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.063 0.888 7.769 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.972 -0.154 10.605 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.814 1.032 10.035 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.220 2.092 9.119 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.705 1.351 10.632 1.00 0.00 H new ATOM 749 N VAL A 49 -1.965 -0.133 7.059 1.00 0.00 N ATOM 750 CA VAL A 49 -0.724 -0.719 6.583 1.00 0.00 C ATOM 751 C VAL A 49 0.339 0.375 6.465 1.00 0.00 C ATOM 752 O VAL A 49 0.019 1.529 6.185 1.00 0.00 O ATOM 753 CB VAL A 49 -0.966 -1.461 5.267 1.00 0.00 C ATOM 754 CG1 VAL A 49 -2.105 -2.474 5.410 1.00 0.00 C ATOM 755 CG2 VAL A 49 -1.245 -0.480 4.127 1.00 0.00 C ATOM 0 H VAL A 49 -2.263 0.702 6.555 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.354 -1.458 7.294 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.057 -2.011 5.021 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.256 -2.988 4.461 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.850 -3.202 6.180 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.021 -1.954 5.692 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -1.413 -1.034 3.203 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.131 0.110 4.363 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.390 0.184 4.001 1.00 0.00 H new ATOM 765 N TYR A 50 1.582 -0.027 6.685 1.00 0.00 N ATOM 766 CA TYR A 50 2.695 0.905 6.607 1.00 0.00 C ATOM 767 C TYR A 50 3.633 0.544 5.454 1.00 0.00 C ATOM 768 O TYR A 50 4.027 -0.612 5.309 1.00 0.00 O ATOM 769 CB TYR A 50 3.453 0.768 7.929 1.00 0.00 C ATOM 770 CG TYR A 50 3.181 1.898 8.924 1.00 0.00 C ATOM 771 CD1 TYR A 50 3.848 3.100 8.802 1.00 0.00 C ATOM 772 CD2 TYR A 50 2.267 1.715 9.942 1.00 0.00 C ATOM 773 CE1 TYR A 50 3.591 4.164 9.739 1.00 0.00 C ATOM 774 CE2 TYR A 50 2.011 2.779 10.878 1.00 0.00 C ATOM 775 CZ TYR A 50 2.685 3.951 10.730 1.00 0.00 C ATOM 776 OH TYR A 50 2.443 4.955 11.614 1.00 0.00 O ATOM 0 H TYR A 50 1.843 -0.985 6.917 1.00 0.00 H new ATOM 0 HA TYR A 50 2.335 1.919 6.435 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.186 -0.182 8.392 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.522 0.731 7.720 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.562 3.243 8.005 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.744 0.775 10.036 1.00 0.00 H new ATOM 0 HE1 TYR A 50 4.106 5.109 9.656 1.00 0.00 H new ATOM 0 HE2 TYR A 50 1.299 2.649 11.680 1.00 0.00 H new ATOM 0 HH TYR A 50 1.773 4.662 12.266 1.00 0.00 H new ATOM 786 N ILE A 51 3.963 1.555 4.664 1.00 0.00 N ATOM 787 CA ILE A 51 4.848 1.358 3.528 1.00 0.00 C ATOM 788 C ILE A 51 6.174 2.075 3.789 1.00 0.00 C ATOM 789 O ILE A 51 6.203 3.295 3.949 1.00 0.00 O ATOM 790 CB ILE A 51 4.160 1.791 2.232 1.00 0.00 C ATOM 791 CG1 ILE A 51 2.672 1.434 2.255 1.00 0.00 C ATOM 792 CG2 ILE A 51 4.871 1.204 1.011 1.00 0.00 C ATOM 793 CD1 ILE A 51 1.952 2.004 1.031 1.00 0.00 C ATOM 0 H ILE A 51 3.634 2.512 4.788 1.00 0.00 H new ATOM 0 HA ILE A 51 5.077 0.300 3.403 1.00 0.00 H new ATOM 0 HB ILE A 51 4.230 2.876 2.155 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.555 0.351 2.278 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.215 1.824 3.164 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.362 1.527 0.103 1.00 0.00 H new ATOM 0 HG22 ILE A 51 5.904 1.550 0.990 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.854 0.116 1.068 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.896 1.736 1.072 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.051 3.090 1.024 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.396 1.593 0.124 1.00 0.00 H new ATOM 805 N LYS A 52 7.239 1.288 3.825 1.00 0.00 N ATOM 806 CA LYS A 52 8.564 1.833 4.065 1.00 0.00 C ATOM 807 C LYS A 52 9.549 1.226 3.063 1.00 0.00 C ATOM 808 O LYS A 52 9.345 0.112 2.584 1.00 0.00 O ATOM 809 CB LYS A 52 8.971 1.631 5.526 1.00 0.00 C ATOM 810 CG LYS A 52 9.104 0.143 5.857 1.00 0.00 C ATOM 811 CD LYS A 52 8.349 -0.202 7.143 1.00 0.00 C ATOM 812 CE LYS A 52 9.225 0.040 8.374 1.00 0.00 C ATOM 813 NZ LYS A 52 8.625 1.080 9.240 1.00 0.00 N ATOM 0 H LYS A 52 7.211 0.277 3.692 1.00 0.00 H new ATOM 0 HA LYS A 52 8.567 2.911 3.904 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.918 2.136 5.717 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.229 2.088 6.181 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.715 -0.453 5.032 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.157 -0.116 5.969 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.444 0.402 7.211 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.034 -1.245 7.116 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.339 -0.888 8.935 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.223 0.349 8.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.232 1.232 10.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.539 1.969 8.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 7.682 0.771 9.552 1.00 0.00 H new ATOM 827 N SER A 53 10.595 1.987 2.776 1.00 0.00 N ATOM 828 CA SER A 53 11.612 1.538 1.840 1.00 0.00 C ATOM 829 C SER A 53 12.667 0.706 2.572 1.00 0.00 C ATOM 830 O SER A 53 13.095 1.066 3.667 1.00 0.00 O ATOM 831 CB SER A 53 12.269 2.723 1.130 1.00 0.00 C ATOM 832 OG SER A 53 12.472 2.470 -0.257 1.00 0.00 O ATOM 0 H SER A 53 10.760 2.911 3.175 1.00 0.00 H new ATOM 0 HA SER A 53 11.130 0.918 1.084 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.644 3.608 1.249 1.00 0.00 H new ATOM 0 HB3 SER A 53 13.227 2.943 1.602 1.00 0.00 H new ATOM 0 HG SER A 53 12.892 3.251 -0.674 1.00 0.00 H new ATOM 838 N THR A 54 13.056 -0.390 1.937 1.00 0.00 N ATOM 839 CA THR A 54 14.052 -1.276 2.514 1.00 0.00 C ATOM 840 C THR A 54 15.422 -1.020 1.883 1.00 0.00 C ATOM 841 O THR A 54 16.356 -1.795 2.083 1.00 0.00 O ATOM 842 CB THR A 54 13.563 -2.715 2.342 1.00 0.00 C ATOM 843 OG1 THR A 54 13.597 -2.927 0.933 1.00 0.00 O ATOM 844 CG2 THR A 54 12.086 -2.879 2.707 1.00 0.00 C ATOM 0 H THR A 54 12.699 -0.684 1.028 1.00 0.00 H new ATOM 0 HA THR A 54 14.179 -1.087 3.580 1.00 0.00 H new ATOM 0 HB THR A 54 14.166 -3.380 2.961 1.00 0.00 H new ATOM 0 HG1 THR A 54 12.706 -2.770 0.557 1.00 0.00 H new ATOM 0 HG21 THR A 54 11.790 -3.919 2.567 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.935 -2.596 3.749 1.00 0.00 H new ATOM 0 HG23 THR A 54 11.480 -2.240 2.065 1.00 0.00 H new ATOM 852 N GLU A 55 15.499 0.070 1.134 1.00 0.00 N ATOM 853 CA GLU A 55 16.740 0.438 0.473 1.00 0.00 C ATOM 854 C GLU A 55 17.349 1.674 1.137 1.00 0.00 C ATOM 855 O GLU A 55 18.356 1.574 1.836 1.00 0.00 O ATOM 856 CB GLU A 55 16.515 0.673 -1.022 1.00 0.00 C ATOM 857 CG GLU A 55 17.825 1.039 -1.723 1.00 0.00 C ATOM 858 CD GLU A 55 18.664 -0.209 -2.003 1.00 0.00 C ATOM 859 OE1 GLU A 55 18.413 -1.226 -1.322 1.00 0.00 O ATOM 860 OE2 GLU A 55 19.538 -0.117 -2.891 1.00 0.00 O ATOM 0 H GLU A 55 14.722 0.710 0.970 1.00 0.00 H new ATOM 0 HA GLU A 55 17.443 -0.388 0.576 1.00 0.00 H new ATOM 0 HB2 GLU A 55 16.094 -0.224 -1.475 1.00 0.00 H new ATOM 0 HB3 GLU A 55 15.787 1.472 -1.163 1.00 0.00 H new ATOM 0 HG2 GLU A 55 17.609 1.554 -2.659 1.00 0.00 H new ATOM 0 HG3 GLU A 55 18.393 1.732 -1.102 1.00 0.00 H new ATOM 867 N THR A 56 16.714 2.811 0.895 1.00 0.00 N ATOM 868 CA THR A 56 17.181 4.065 1.461 1.00 0.00 C ATOM 869 C THR A 56 16.942 4.090 2.972 1.00 0.00 C ATOM 870 O THR A 56 17.890 4.157 3.753 1.00 0.00 O ATOM 871 CB THR A 56 16.486 5.207 0.717 1.00 0.00 C ATOM 872 OG1 THR A 56 15.105 4.862 0.762 1.00 0.00 O ATOM 873 CG2 THR A 56 16.818 5.221 -0.776 1.00 0.00 C ATOM 0 H THR A 56 15.879 2.890 0.314 1.00 0.00 H new ATOM 0 HA THR A 56 18.257 4.181 1.332 1.00 0.00 H new ATOM 0 HB THR A 56 16.776 6.159 1.162 1.00 0.00 H new ATOM 0 HG1 THR A 56 14.581 5.551 0.303 1.00 0.00 H new ATOM 0 HG21 THR A 56 16.299 6.051 -1.256 1.00 0.00 H new ATOM 0 HG22 THR A 56 17.893 5.340 -0.909 1.00 0.00 H new ATOM 0 HG23 THR A 56 16.498 4.282 -1.229 1.00 0.00 H new ATOM 881 N GLY A 57 15.670 4.034 3.339 1.00 0.00 N ATOM 882 CA GLY A 57 15.294 4.049 4.742 1.00 0.00 C ATOM 883 C GLY A 57 14.274 5.154 5.025 1.00 0.00 C ATOM 884 O GLY A 57 14.361 5.838 6.043 1.00 0.00 O ATOM 0 H GLY A 57 14.886 3.978 2.688 1.00 0.00 H new ATOM 0 HA2 GLY A 57 14.874 3.082 5.020 1.00 0.00 H new ATOM 0 HA3 GLY A 57 16.180 4.201 5.358 1.00 0.00 H new ATOM 888 N GLN A 58 13.331 5.293 4.105 1.00 0.00 N ATOM 889 CA GLN A 58 12.295 6.303 4.243 1.00 0.00 C ATOM 890 C GLN A 58 10.911 5.666 4.105 1.00 0.00 C ATOM 891 O GLN A 58 10.781 4.564 3.574 1.00 0.00 O ATOM 892 CB GLN A 58 12.486 7.426 3.222 1.00 0.00 C ATOM 893 CG GLN A 58 13.970 7.743 3.026 1.00 0.00 C ATOM 894 CD GLN A 58 14.178 8.673 1.829 1.00 0.00 C ATOM 895 OE1 GLN A 58 13.716 8.188 0.680 1.00 0.00 O flip ATOM 896 NE2 GLN A 58 14.722 9.759 1.941 1.00 0.00 N flip ATOM 0 H GLN A 58 13.262 4.724 3.262 1.00 0.00 H new ATOM 0 HA GLN A 58 12.373 6.743 5.237 1.00 0.00 H new ATOM 0 HB2 GLN A 58 12.044 7.135 2.269 1.00 0.00 H new ATOM 0 HB3 GLN A 58 11.961 8.320 3.557 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.368 8.209 3.927 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.526 6.818 2.874 1.00 0.00 H new ATOM 0 HE21 GLN A 58 15.054 10.071 2.853 1.00 0.00 H new ATOM 0 HE22 GLN A 58 14.845 10.355 1.122 1.00 0.00 H new ATOM 905 N TYR A 59 9.912 6.386 4.593 1.00 0.00 N ATOM 906 CA TYR A 59 8.542 5.905 4.531 1.00 0.00 C ATOM 907 C TYR A 59 7.754 6.633 3.441 1.00 0.00 C ATOM 908 O TYR A 59 7.990 7.812 3.181 1.00 0.00 O ATOM 909 CB TYR A 59 7.921 6.225 5.893 1.00 0.00 C ATOM 910 CG TYR A 59 8.788 5.815 7.084 1.00 0.00 C ATOM 911 CD1 TYR A 59 9.639 4.733 6.979 1.00 0.00 C ATOM 912 CD2 TYR A 59 8.720 6.527 8.264 1.00 0.00 C ATOM 913 CE1 TYR A 59 10.455 4.348 8.101 1.00 0.00 C ATOM 914 CE2 TYR A 59 9.537 6.141 9.386 1.00 0.00 C ATOM 915 CZ TYR A 59 10.364 5.071 9.249 1.00 0.00 C ATOM 916 OH TYR A 59 11.135 4.706 10.308 1.00 0.00 O ATOM 0 H TYR A 59 10.024 7.299 5.033 1.00 0.00 H new ATOM 0 HA TYR A 59 8.519 4.840 4.301 1.00 0.00 H new ATOM 0 HB2 TYR A 59 7.727 7.296 5.950 1.00 0.00 H new ATOM 0 HB3 TYR A 59 6.957 5.722 5.968 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.693 4.176 6.056 1.00 0.00 H new ATOM 0 HD2 TYR A 59 8.054 7.374 8.346 1.00 0.00 H new ATOM 0 HE1 TYR A 59 11.125 3.503 8.032 1.00 0.00 H new ATOM 0 HE2 TYR A 59 9.493 6.690 10.315 1.00 0.00 H new ATOM 0 HH TYR A 59 10.967 5.312 11.059 1.00 0.00 H new ATOM 926 N LEU A 60 6.834 5.901 2.831 1.00 0.00 N ATOM 927 CA LEU A 60 6.010 6.462 1.774 1.00 0.00 C ATOM 928 C LEU A 60 4.856 7.251 2.397 1.00 0.00 C ATOM 929 O LEU A 60 3.992 6.676 3.058 1.00 0.00 O ATOM 930 CB LEU A 60 5.554 5.364 0.810 1.00 0.00 C ATOM 931 CG LEU A 60 4.715 5.826 -0.383 1.00 0.00 C ATOM 932 CD1 LEU A 60 5.605 6.156 -1.584 1.00 0.00 C ATOM 933 CD2 LEU A 60 3.642 4.793 -0.732 1.00 0.00 C ATOM 0 H LEU A 60 6.641 4.923 3.049 1.00 0.00 H new ATOM 0 HA LEU A 60 6.588 7.163 1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.438 4.851 0.431 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.977 4.631 1.373 1.00 0.00 H new ATOM 0 HG LEU A 60 4.199 6.744 -0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.984 6.482 -2.418 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.298 6.953 -1.315 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.167 5.269 -1.875 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.060 5.146 -1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.118 3.846 -0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.983 4.650 0.124 1.00 0.00 H new ATOM 945 N ALA A 61 4.880 8.555 2.166 1.00 0.00 N ATOM 946 CA ALA A 61 3.847 9.429 2.696 1.00 0.00 C ATOM 947 C ALA A 61 3.432 10.433 1.619 1.00 0.00 C ATOM 948 O ALA A 61 4.210 10.738 0.716 1.00 0.00 O ATOM 949 CB ALA A 61 4.360 10.113 3.965 1.00 0.00 C ATOM 0 H ALA A 61 5.599 9.028 1.619 1.00 0.00 H new ATOM 0 HA ALA A 61 2.961 8.855 2.970 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.586 10.769 4.363 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.613 9.357 4.709 1.00 0.00 H new ATOM 0 HB3 ALA A 61 5.247 10.701 3.728 1.00 0.00 H new ATOM 955 N MET A 62 2.206 10.919 1.749 1.00 0.00 N ATOM 956 CA MET A 62 1.678 11.882 0.798 1.00 0.00 C ATOM 957 C MET A 62 1.626 13.283 1.409 1.00 0.00 C ATOM 958 O MET A 62 1.222 13.448 2.559 1.00 0.00 O ATOM 959 CB MET A 62 0.272 11.458 0.370 1.00 0.00 C ATOM 960 CG MET A 62 -0.259 12.364 -0.743 1.00 0.00 C ATOM 961 SD MET A 62 0.189 11.698 -2.338 1.00 0.00 S ATOM 962 CE MET A 62 -0.699 10.150 -2.287 1.00 0.00 C ATOM 0 H MET A 62 1.563 10.664 2.499 1.00 0.00 H new ATOM 0 HA MET A 62 2.338 11.909 -0.069 1.00 0.00 H new ATOM 0 HB2 MET A 62 0.289 10.424 0.025 1.00 0.00 H new ATOM 0 HB3 MET A 62 -0.400 11.497 1.227 1.00 0.00 H new ATOM 0 HG2 MET A 62 -1.343 12.450 -0.667 1.00 0.00 H new ATOM 0 HG3 MET A 62 0.149 13.369 -0.631 1.00 0.00 H new ATOM 0 HE1 MET A 62 -0.691 9.693 -3.277 1.00 0.00 H new ATOM 0 HE2 MET A 62 -0.220 9.479 -1.574 1.00 0.00 H new ATOM 0 HE3 MET A 62 -1.729 10.331 -1.979 1.00 0.00 H new ATOM 972 N ASP A 63 2.040 14.258 0.612 1.00 0.00 N ATOM 973 CA ASP A 63 2.045 15.640 1.060 1.00 0.00 C ATOM 974 C ASP A 63 0.730 16.308 0.655 1.00 0.00 C ATOM 975 O ASP A 63 -0.202 15.636 0.216 1.00 0.00 O ATOM 976 CB ASP A 63 3.191 16.423 0.417 1.00 0.00 C ATOM 977 CG ASP A 63 4.344 16.773 1.359 1.00 0.00 C ATOM 978 OD1 ASP A 63 4.041 17.132 2.518 1.00 0.00 O ATOM 979 OD2 ASP A 63 5.503 16.675 0.900 1.00 0.00 O ATOM 0 H ASP A 63 2.374 14.118 -0.341 1.00 0.00 H new ATOM 0 HA ASP A 63 2.169 15.643 2.143 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.586 15.841 -0.416 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.790 17.346 -0.001 1.00 0.00 H new ATOM 984 N THR A 64 0.697 17.623 0.816 1.00 0.00 N ATOM 985 CA THR A 64 -0.489 18.389 0.472 1.00 0.00 C ATOM 986 C THR A 64 -0.580 18.580 -1.043 1.00 0.00 C ATOM 987 O THR A 64 -1.671 18.735 -1.589 1.00 0.00 O ATOM 988 CB THR A 64 -0.442 19.706 1.249 1.00 0.00 C ATOM 989 OG1 THR A 64 0.778 20.312 0.832 1.00 0.00 O ATOM 990 CG2 THR A 64 -0.257 19.493 2.753 1.00 0.00 C ATOM 0 H THR A 64 1.472 18.177 1.180 1.00 0.00 H new ATOM 0 HA THR A 64 -1.398 17.859 0.756 1.00 0.00 H new ATOM 0 HB THR A 64 -1.361 20.264 1.072 1.00 0.00 H new ATOM 0 HG1 THR A 64 0.888 21.173 1.287 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.230 20.459 3.257 1.00 0.00 H new ATOM 0 HG22 THR A 64 -1.087 18.904 3.142 1.00 0.00 H new ATOM 0 HG23 THR A 64 0.679 18.964 2.933 1.00 0.00 H new ATOM 998 N ASP A 65 0.582 18.563 -1.680 1.00 0.00 N ATOM 999 CA ASP A 65 0.648 18.732 -3.122 1.00 0.00 C ATOM 1000 C ASP A 65 0.061 17.495 -3.804 1.00 0.00 C ATOM 1001 O ASP A 65 -0.124 17.481 -5.020 1.00 0.00 O ATOM 1002 CB ASP A 65 2.095 18.890 -3.592 1.00 0.00 C ATOM 1003 CG ASP A 65 2.863 20.043 -2.945 1.00 0.00 C ATOM 1004 OD1 ASP A 65 2.268 20.697 -2.062 1.00 0.00 O ATOM 1005 OD2 ASP A 65 4.030 20.245 -3.347 1.00 0.00 O ATOM 0 H ASP A 65 1.485 18.435 -1.224 1.00 0.00 H new ATOM 0 HA ASP A 65 0.084 19.628 -3.383 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.629 17.961 -3.393 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.096 19.034 -4.673 1.00 0.00 H new ATOM 1010 N GLY A 66 -0.216 16.486 -2.991 1.00 0.00 N ATOM 1011 CA GLY A 66 -0.778 15.247 -3.501 1.00 0.00 C ATOM 1012 C GLY A 66 0.318 14.332 -4.049 1.00 0.00 C ATOM 1013 O GLY A 66 0.027 13.290 -4.635 1.00 0.00 O ATOM 0 H GLY A 66 -0.062 16.501 -1.983 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.320 14.735 -2.706 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.499 15.468 -4.288 1.00 0.00 H new ATOM 1017 N LEU A 67 1.557 14.755 -3.840 1.00 0.00 N ATOM 1018 CA LEU A 67 2.698 13.987 -4.306 1.00 0.00 C ATOM 1019 C LEU A 67 3.241 13.137 -3.155 1.00 0.00 C ATOM 1020 O LEU A 67 2.953 13.407 -1.990 1.00 0.00 O ATOM 1021 CB LEU A 67 3.744 14.909 -4.935 1.00 0.00 C ATOM 1022 CG LEU A 67 3.322 15.624 -6.221 1.00 0.00 C ATOM 1023 CD1 LEU A 67 2.199 14.862 -6.928 1.00 0.00 C ATOM 1024 CD2 LEU A 67 2.940 17.078 -5.940 1.00 0.00 C ATOM 0 H LEU A 67 1.795 15.620 -3.354 1.00 0.00 H new ATOM 0 HA LEU A 67 2.396 13.299 -5.096 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.025 15.663 -4.199 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.637 14.321 -5.146 1.00 0.00 H new ATOM 0 HG LEU A 67 4.176 15.641 -6.898 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.918 15.391 -7.839 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.543 13.860 -7.182 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.335 14.792 -6.267 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.644 17.563 -6.870 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.108 17.106 -5.236 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.795 17.603 -5.513 1.00 0.00 H new ATOM 1036 N LEU A 68 4.016 12.127 -3.522 1.00 0.00 N ATOM 1037 CA LEU A 68 4.601 11.236 -2.534 1.00 0.00 C ATOM 1038 C LEU A 68 6.037 11.676 -2.244 1.00 0.00 C ATOM 1039 O LEU A 68 6.738 12.147 -3.138 1.00 0.00 O ATOM 1040 CB LEU A 68 4.484 9.780 -2.990 1.00 0.00 C ATOM 1041 CG LEU A 68 3.067 9.278 -3.275 1.00 0.00 C ATOM 1042 CD1 LEU A 68 3.080 8.171 -4.331 1.00 0.00 C ATOM 1043 CD2 LEU A 68 2.374 8.833 -1.986 1.00 0.00 C ATOM 0 H LEU A 68 4.252 11.906 -4.489 1.00 0.00 H new ATOM 0 HA LEU A 68 4.053 11.297 -1.594 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.081 9.654 -3.893 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.926 9.143 -2.224 1.00 0.00 H new ATOM 0 HG LEU A 68 2.487 10.105 -3.683 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.061 7.832 -4.515 1.00 0.00 H new ATOM 0 HD12 LEU A 68 3.507 8.556 -5.257 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.682 7.335 -3.974 1.00 0.00 H new ATOM 0 HD21 LEU A 68 1.369 8.481 -2.216 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.945 8.026 -1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.314 9.675 -1.296 1.00 0.00 H new ATOM 1055 N TYR A 69 6.432 11.507 -0.990 1.00 0.00 N ATOM 1056 CA TYR A 69 7.772 11.881 -0.571 1.00 0.00 C ATOM 1057 C TYR A 69 8.269 10.970 0.553 1.00 0.00 C ATOM 1058 O TYR A 69 7.490 10.219 1.138 1.00 0.00 O ATOM 1059 CB TYR A 69 7.664 13.313 -0.041 1.00 0.00 C ATOM 1060 CG TYR A 69 6.854 13.438 1.252 1.00 0.00 C ATOM 1061 CD1 TYR A 69 7.343 12.904 2.426 1.00 0.00 C ATOM 1062 CD2 TYR A 69 5.636 14.085 1.242 1.00 0.00 C ATOM 1063 CE1 TYR A 69 6.582 13.022 3.643 1.00 0.00 C ATOM 1064 CE2 TYR A 69 4.874 14.203 2.459 1.00 0.00 C ATOM 1065 CZ TYR A 69 5.385 13.665 3.599 1.00 0.00 C ATOM 1066 OH TYR A 69 4.665 13.777 4.748 1.00 0.00 O ATOM 0 H TYR A 69 5.847 11.116 -0.251 1.00 0.00 H new ATOM 0 HA TYR A 69 8.472 11.794 -1.402 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.667 13.702 0.132 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.206 13.939 -0.807 1.00 0.00 H new ATOM 0 HD1 TYR A 69 8.297 12.397 2.433 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.254 14.503 0.322 1.00 0.00 H new ATOM 0 HE1 TYR A 69 6.954 12.609 4.569 1.00 0.00 H new ATOM 0 HE2 TYR A 69 3.919 14.707 2.466 1.00 0.00 H new ATOM 0 HH TYR A 69 3.716 13.886 4.530 1.00 0.00 H new ATOM 1076 N GLY A 70 9.563 11.067 0.821 1.00 0.00 N ATOM 1077 CA GLY A 70 10.173 10.260 1.865 1.00 0.00 C ATOM 1078 C GLY A 70 10.082 10.960 3.222 1.00 0.00 C ATOM 1079 O GLY A 70 10.522 12.100 3.368 1.00 0.00 O ATOM 0 H GLY A 70 10.206 11.692 0.334 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.677 9.291 1.918 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.218 10.070 1.619 1.00 0.00 H new ATOM 1083 N SER A 71 9.508 10.249 4.181 1.00 0.00 N ATOM 1084 CA SER A 71 9.353 10.787 5.522 1.00 0.00 C ATOM 1085 C SER A 71 10.619 10.525 6.341 1.00 0.00 C ATOM 1086 O SER A 71 11.167 9.424 6.306 1.00 0.00 O ATOM 1087 CB SER A 71 8.134 10.183 6.221 1.00 0.00 C ATOM 1088 OG SER A 71 8.480 9.052 7.016 1.00 0.00 O ATOM 0 H SER A 71 9.144 9.304 4.056 1.00 0.00 H new ATOM 0 HA SER A 71 9.196 11.863 5.442 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.666 10.939 6.851 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.397 9.889 5.474 1.00 0.00 H new ATOM 0 HG SER A 71 7.665 8.580 7.285 1.00 0.00 H new ATOM 1094 N GLN A 72 11.045 11.554 7.057 1.00 0.00 N ATOM 1095 CA GLN A 72 12.236 11.448 7.883 1.00 0.00 C ATOM 1096 C GLN A 72 11.916 10.708 9.184 1.00 0.00 C ATOM 1097 O GLN A 72 12.794 10.086 9.780 1.00 0.00 O ATOM 1098 CB GLN A 72 12.829 12.829 8.170 1.00 0.00 C ATOM 1099 CG GLN A 72 14.347 12.749 8.342 1.00 0.00 C ATOM 1100 CD GLN A 72 15.065 13.562 7.262 1.00 0.00 C ATOM 1101 OE1 GLN A 72 14.817 14.740 7.068 1.00 0.00 O ATOM 1102 NE2 GLN A 72 15.966 12.867 6.573 1.00 0.00 N ATOM 0 H GLN A 72 10.587 12.465 7.083 1.00 0.00 H new ATOM 0 HA GLN A 72 12.984 10.874 7.336 1.00 0.00 H new ATOM 0 HB2 GLN A 72 12.587 13.509 7.353 1.00 0.00 H new ATOM 0 HB3 GLN A 72 12.378 13.242 9.073 1.00 0.00 H new ATOM 0 HG2 GLN A 72 14.625 13.122 9.328 1.00 0.00 H new ATOM 0 HG3 GLN A 72 14.668 11.708 8.292 1.00 0.00 H new ATOM 0 HE21 GLN A 72 16.124 11.882 6.788 1.00 0.00 H new ATOM 0 HE22 GLN A 72 16.499 13.319 5.830 1.00 0.00 H new ATOM 1111 N THR A 73 10.657 10.800 9.585 1.00 0.00 N ATOM 1112 CA THR A 73 10.210 10.147 10.804 1.00 0.00 C ATOM 1113 C THR A 73 8.874 9.439 10.570 1.00 0.00 C ATOM 1114 O THR A 73 8.150 9.765 9.631 1.00 0.00 O ATOM 1115 CB THR A 73 10.154 11.201 11.911 1.00 0.00 C ATOM 1116 OG1 THR A 73 9.713 12.381 11.246 1.00 0.00 O ATOM 1117 CG2 THR A 73 11.542 11.568 12.441 1.00 0.00 C ATOM 0 H THR A 73 9.932 11.317 9.088 1.00 0.00 H new ATOM 0 HA THR A 73 10.905 9.367 11.113 1.00 0.00 H new ATOM 0 HB THR A 73 9.538 10.833 12.731 1.00 0.00 H new ATOM 0 HG1 THR A 73 9.647 13.115 11.892 1.00 0.00 H new ATOM 0 HG21 THR A 73 11.445 12.320 13.225 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.023 10.679 12.849 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.148 11.968 11.628 1.00 0.00 H new ATOM 1125 N PRO A 74 8.580 8.458 11.465 1.00 0.00 N ATOM 1126 CA PRO A 74 7.343 7.701 11.366 1.00 0.00 C ATOM 1127 C PRO A 74 6.150 8.535 11.836 1.00 0.00 C ATOM 1128 O PRO A 74 5.999 8.791 13.030 1.00 0.00 O ATOM 1129 CB PRO A 74 7.572 6.461 12.215 1.00 0.00 C ATOM 1130 CG PRO A 74 8.743 6.790 13.127 1.00 0.00 C ATOM 1131 CD PRO A 74 9.413 8.045 12.591 1.00 0.00 C ATOM 0 HA PRO A 74 7.099 7.426 10.340 1.00 0.00 H new ATOM 0 HB2 PRO A 74 6.682 6.215 12.795 1.00 0.00 H new ATOM 0 HB3 PRO A 74 7.795 5.596 11.590 1.00 0.00 H new ATOM 0 HG2 PRO A 74 8.398 6.948 14.149 1.00 0.00 H new ATOM 0 HG3 PRO A 74 9.451 5.961 13.154 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.463 8.823 13.353 1.00 0.00 H new ATOM 0 HD3 PRO A 74 10.436 7.843 12.274 1.00 0.00 H new ATOM 1139 N ASN A 75 5.334 8.937 10.873 1.00 0.00 N ATOM 1140 CA ASN A 75 4.159 9.738 11.173 1.00 0.00 C ATOM 1141 C ASN A 75 2.925 9.077 10.555 1.00 0.00 C ATOM 1142 O ASN A 75 3.035 8.344 9.574 1.00 0.00 O ATOM 1143 CB ASN A 75 4.286 11.144 10.586 1.00 0.00 C ATOM 1144 CG ASN A 75 5.448 11.904 11.228 1.00 0.00 C ATOM 1145 OD1 ASN A 75 5.306 12.563 12.245 1.00 0.00 O ATOM 1146 ND2 ASN A 75 6.602 11.777 10.579 1.00 0.00 N ATOM 0 H ASN A 75 5.463 8.723 9.884 1.00 0.00 H new ATOM 0 HA ASN A 75 4.066 9.807 12.257 1.00 0.00 H new ATOM 0 HB2 ASN A 75 4.440 11.080 9.509 1.00 0.00 H new ATOM 0 HB3 ASN A 75 3.357 11.693 10.743 1.00 0.00 H new ATOM 0 HD21 ASN A 75 7.438 12.247 10.928 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.651 11.210 9.733 1.00 0.00 H new ATOM 1153 N GLU A 76 1.779 9.359 11.156 1.00 0.00 N ATOM 1154 CA GLU A 76 0.526 8.801 10.677 1.00 0.00 C ATOM 1155 C GLU A 76 0.443 8.913 9.154 1.00 0.00 C ATOM 1156 O GLU A 76 -0.189 8.084 8.500 1.00 0.00 O ATOM 1157 CB GLU A 76 -0.670 9.486 11.343 1.00 0.00 C ATOM 1158 CG GLU A 76 -1.619 8.456 11.959 1.00 0.00 C ATOM 1159 CD GLU A 76 -2.893 9.126 12.477 1.00 0.00 C ATOM 1160 OE1 GLU A 76 -3.305 10.125 11.849 1.00 0.00 O ATOM 1161 OE2 GLU A 76 -3.427 8.623 13.490 1.00 0.00 O ATOM 0 H GLU A 76 1.692 9.967 11.971 1.00 0.00 H new ATOM 0 HA GLU A 76 0.495 7.745 10.947 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.318 10.169 12.116 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.206 10.086 10.607 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.877 7.703 11.215 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.118 7.938 12.777 1.00 0.00 H new ATOM 1168 N GLU A 77 1.090 9.945 8.632 1.00 0.00 N ATOM 1169 CA GLU A 77 1.097 10.176 7.197 1.00 0.00 C ATOM 1170 C GLU A 77 1.658 8.954 6.466 1.00 0.00 C ATOM 1171 O GLU A 77 1.223 8.634 5.361 1.00 0.00 O ATOM 1172 CB GLU A 77 1.892 11.436 6.849 1.00 0.00 C ATOM 1173 CG GLU A 77 1.236 12.681 7.450 1.00 0.00 C ATOM 1174 CD GLU A 77 1.938 13.954 6.973 1.00 0.00 C ATOM 1175 OE1 GLU A 77 1.915 14.190 5.746 1.00 0.00 O ATOM 1176 OE2 GLU A 77 2.481 14.663 7.847 1.00 0.00 O ATOM 0 H GLU A 77 1.613 10.631 9.177 1.00 0.00 H new ATOM 0 HA GLU A 77 0.070 10.332 6.868 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.912 11.342 7.222 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.957 11.542 5.766 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.184 12.714 7.168 1.00 0.00 H new ATOM 0 HG3 GLU A 77 1.273 12.627 8.538 1.00 0.00 H new ATOM 1183 N CYS A 78 2.616 8.305 7.112 1.00 0.00 N ATOM 1184 CA CYS A 78 3.241 7.127 6.537 1.00 0.00 C ATOM 1185 C CYS A 78 2.246 5.966 6.621 1.00 0.00 C ATOM 1186 O CYS A 78 2.373 4.982 5.895 1.00 0.00 O ATOM 1187 CB CYS A 78 4.565 6.794 7.228 1.00 0.00 C ATOM 1188 SG CYS A 78 5.673 8.251 7.191 1.00 0.00 S ATOM 0 H CYS A 78 2.974 8.573 8.029 1.00 0.00 H new ATOM 0 HA CYS A 78 3.490 7.317 5.493 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.381 6.493 8.259 1.00 0.00 H new ATOM 0 HB3 CYS A 78 5.043 5.950 6.730 1.00 0.00 H new ATOM 0 HG CYS A 78 5.105 9.244 7.808 1.00 0.00 H new ATOM 1194 N LEU A 79 1.279 6.121 7.514 1.00 0.00 N ATOM 1195 CA LEU A 79 0.264 5.099 7.702 1.00 0.00 C ATOM 1196 C LEU A 79 -0.881 5.336 6.716 1.00 0.00 C ATOM 1197 O LEU A 79 -1.507 6.395 6.728 1.00 0.00 O ATOM 1198 CB LEU A 79 -0.184 5.052 9.164 1.00 0.00 C ATOM 1199 CG LEU A 79 -1.085 3.878 9.552 1.00 0.00 C ATOM 1200 CD1 LEU A 79 -0.742 2.630 8.736 1.00 0.00 C ATOM 1201 CD2 LEU A 79 -1.024 3.613 11.058 1.00 0.00 C ATOM 0 H LEU A 79 1.177 6.939 8.115 1.00 0.00 H new ATOM 0 HA LEU A 79 0.673 4.112 7.485 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.704 5.026 9.795 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.710 5.979 9.392 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.115 4.145 9.314 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.397 1.811 9.032 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.879 2.840 7.675 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.295 2.349 8.919 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.674 2.774 11.306 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.001 3.376 11.345 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.356 4.500 11.597 1.00 0.00 H new ATOM 1213 N PHE A 80 -1.120 4.332 5.884 1.00 0.00 N ATOM 1214 CA PHE A 80 -2.179 4.418 4.893 1.00 0.00 C ATOM 1215 C PHE A 80 -3.250 3.354 5.141 1.00 0.00 C ATOM 1216 O PHE A 80 -3.026 2.406 5.892 1.00 0.00 O ATOM 1217 CB PHE A 80 -1.535 4.168 3.528 1.00 0.00 C ATOM 1218 CG PHE A 80 -0.731 5.354 2.992 1.00 0.00 C ATOM 1219 CD1 PHE A 80 0.333 5.827 3.694 1.00 0.00 C ATOM 1220 CD2 PHE A 80 -1.081 5.936 1.813 1.00 0.00 C ATOM 1221 CE1 PHE A 80 1.079 6.928 3.197 1.00 0.00 C ATOM 1222 CE2 PHE A 80 -0.335 7.037 1.316 1.00 0.00 C ATOM 1223 CZ PHE A 80 0.729 7.510 2.018 1.00 0.00 C ATOM 0 H PHE A 80 -0.598 3.455 5.876 1.00 0.00 H new ATOM 0 HA PHE A 80 -2.658 5.396 4.944 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -0.879 3.301 3.601 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -2.316 3.917 2.810 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.611 5.365 4.630 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -1.926 5.560 1.255 1.00 0.00 H new ATOM 0 HE1 PHE A 80 1.924 7.304 3.755 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.613 7.499 0.380 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.296 8.348 1.640 1.00 0.00 H new ATOM 1233 N LEU A 81 -4.392 3.547 4.497 1.00 0.00 N ATOM 1234 CA LEU A 81 -5.498 2.616 4.638 1.00 0.00 C ATOM 1235 C LEU A 81 -5.585 1.741 3.387 1.00 0.00 C ATOM 1236 O LEU A 81 -5.657 2.253 2.270 1.00 0.00 O ATOM 1237 CB LEU A 81 -6.793 3.367 4.955 1.00 0.00 C ATOM 1238 CG LEU A 81 -6.713 4.394 6.087 1.00 0.00 C ATOM 1239 CD1 LEU A 81 -5.723 3.947 7.164 1.00 0.00 C ATOM 1240 CD2 LEU A 81 -6.379 5.784 5.542 1.00 0.00 C ATOM 0 H LEU A 81 -4.575 4.335 3.876 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.329 1.948 5.483 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.124 3.878 4.051 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.561 2.636 5.208 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.693 4.460 6.559 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.685 4.695 7.956 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.045 2.993 7.581 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.732 3.835 6.724 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -6.328 6.495 6.366 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.417 5.753 5.030 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.153 6.096 4.841 1.00 0.00 H new ATOM 1252 N GLU A 82 -5.576 0.436 3.614 1.00 0.00 N ATOM 1253 CA GLU A 82 -5.654 -0.516 2.519 1.00 0.00 C ATOM 1254 C GLU A 82 -7.019 -1.206 2.511 1.00 0.00 C ATOM 1255 O GLU A 82 -7.637 -1.381 3.560 1.00 0.00 O ATOM 1256 CB GLU A 82 -4.521 -1.541 2.602 1.00 0.00 C ATOM 1257 CG GLU A 82 -4.799 -2.740 1.693 1.00 0.00 C ATOM 1258 CD GLU A 82 -5.757 -3.727 2.364 1.00 0.00 C ATOM 1259 OE1 GLU A 82 -5.508 -4.043 3.547 1.00 0.00 O ATOM 1260 OE2 GLU A 82 -6.716 -4.142 1.678 1.00 0.00 O ATOM 0 H GLU A 82 -5.516 0.015 4.541 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.539 0.028 1.582 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.580 -1.072 2.314 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.407 -1.880 3.632 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.227 -2.396 0.752 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.863 -3.243 1.452 1.00 0.00 H new ATOM 1267 N ARG A 83 -7.450 -1.580 1.315 1.00 0.00 N ATOM 1268 CA ARG A 83 -8.731 -2.248 1.157 1.00 0.00 C ATOM 1269 C ARG A 83 -8.684 -3.212 -0.030 1.00 0.00 C ATOM 1270 O ARG A 83 -7.780 -3.136 -0.861 1.00 0.00 O ATOM 1271 CB ARG A 83 -9.857 -1.235 0.937 1.00 0.00 C ATOM 1272 CG ARG A 83 -10.952 -1.394 1.993 1.00 0.00 C ATOM 1273 CD ARG A 83 -12.340 -1.223 1.374 1.00 0.00 C ATOM 1274 NE ARG A 83 -12.901 -2.544 1.013 1.00 0.00 N ATOM 1275 CZ ARG A 83 -13.988 -2.716 0.250 1.00 0.00 C ATOM 1276 NH1 ARG A 83 -14.639 -1.652 -0.239 1.00 0.00 N ATOM 1277 NH2 ARG A 83 -14.425 -3.953 -0.025 1.00 0.00 N ATOM 0 H ARG A 83 -6.935 -1.433 0.447 1.00 0.00 H new ATOM 0 HA ARG A 83 -8.930 -2.803 2.073 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.453 -0.223 0.976 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -10.283 -1.370 -0.057 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -10.875 -2.378 2.456 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -10.809 -0.657 2.784 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -13.001 -0.718 2.078 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -12.276 -0.592 0.488 1.00 0.00 H new ATOM 0 HE ARG A 83 -12.430 -3.376 1.368 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -14.307 -0.711 -0.030 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -15.467 -1.783 -0.820 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -13.930 -4.763 0.347 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -15.253 -4.084 -0.606 1.00 0.00 H new ATOM 1291 N LEU A 84 -9.669 -4.098 -0.071 1.00 0.00 N ATOM 1292 CA LEU A 84 -9.751 -5.076 -1.142 1.00 0.00 C ATOM 1293 C LEU A 84 -10.700 -4.561 -2.226 1.00 0.00 C ATOM 1294 O LEU A 84 -11.916 -4.561 -2.043 1.00 0.00 O ATOM 1295 CB LEU A 84 -10.139 -6.448 -0.586 1.00 0.00 C ATOM 1296 CG LEU A 84 -9.634 -7.658 -1.374 1.00 0.00 C ATOM 1297 CD1 LEU A 84 -10.127 -7.615 -2.822 1.00 0.00 C ATOM 1298 CD2 LEU A 84 -8.110 -7.770 -1.290 1.00 0.00 C ATOM 0 H LEU A 84 -10.417 -4.159 0.620 1.00 0.00 H new ATOM 0 HA LEU A 84 -8.776 -5.211 -1.610 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -9.766 -6.523 0.435 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -11.226 -6.502 -0.533 1.00 0.00 H new ATOM 0 HG LEU A 84 -10.049 -8.558 -0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.754 -8.487 -3.360 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -11.217 -7.620 -2.836 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -9.762 -6.708 -3.304 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -7.777 -8.638 -1.859 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.656 -6.870 -1.703 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -7.810 -7.882 -0.248 1.00 0.00 H new ATOM 1310 N GLU A 85 -10.108 -4.134 -3.332 1.00 0.00 N ATOM 1311 CA GLU A 85 -10.885 -3.618 -4.446 1.00 0.00 C ATOM 1312 C GLU A 85 -11.081 -4.704 -5.505 1.00 0.00 C ATOM 1313 O GLU A 85 -10.350 -5.693 -5.528 1.00 0.00 O ATOM 1314 CB GLU A 85 -10.222 -2.377 -5.048 1.00 0.00 C ATOM 1315 CG GLU A 85 -10.601 -1.118 -4.265 1.00 0.00 C ATOM 1316 CD GLU A 85 -11.692 -0.329 -4.992 1.00 0.00 C ATOM 1317 OE1 GLU A 85 -12.476 -0.978 -5.716 1.00 0.00 O ATOM 1318 OE2 GLU A 85 -11.717 0.907 -4.806 1.00 0.00 O ATOM 0 H GLU A 85 -9.099 -4.135 -3.480 1.00 0.00 H new ATOM 0 HA GLU A 85 -11.865 -3.321 -4.074 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -9.139 -2.500 -5.043 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -10.525 -2.267 -6.089 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -10.949 -1.395 -3.270 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.720 -0.490 -4.131 1.00 0.00 H new ATOM 1325 N GLU A 86 -12.071 -4.483 -6.358 1.00 0.00 N ATOM 1326 CA GLU A 86 -12.372 -5.430 -7.417 1.00 0.00 C ATOM 1327 C GLU A 86 -11.156 -5.612 -8.328 1.00 0.00 C ATOM 1328 O GLU A 86 -10.108 -5.012 -8.097 1.00 0.00 O ATOM 1329 CB GLU A 86 -13.596 -4.985 -8.220 1.00 0.00 C ATOM 1330 CG GLU A 86 -14.844 -5.760 -7.792 1.00 0.00 C ATOM 1331 CD GLU A 86 -16.000 -5.519 -8.766 1.00 0.00 C ATOM 1332 OE1 GLU A 86 -16.683 -4.488 -8.591 1.00 0.00 O ATOM 1333 OE2 GLU A 86 -16.173 -6.372 -9.663 1.00 0.00 O ATOM 0 H GLU A 86 -12.675 -3.661 -6.337 1.00 0.00 H new ATOM 0 HA GLU A 86 -12.608 -6.392 -6.961 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.760 -3.917 -8.077 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -13.414 -5.140 -9.283 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -14.617 -6.825 -7.747 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -15.140 -5.455 -6.788 1.00 0.00 H new ATOM 1340 N ASN A 87 -11.337 -6.443 -9.344 1.00 0.00 N ATOM 1341 CA ASN A 87 -10.268 -6.712 -10.290 1.00 0.00 C ATOM 1342 C ASN A 87 -9.098 -7.371 -9.558 1.00 0.00 C ATOM 1343 O ASN A 87 -7.994 -7.457 -10.094 1.00 0.00 O ATOM 1344 CB ASN A 87 -9.758 -5.417 -10.927 1.00 0.00 C ATOM 1345 CG ASN A 87 -10.863 -4.729 -11.731 1.00 0.00 C ATOM 1346 OD1 ASN A 87 -11.998 -5.174 -11.783 1.00 0.00 O ATOM 1347 ND2 ASN A 87 -10.469 -3.622 -12.354 1.00 0.00 N ATOM 0 H ASN A 87 -12.208 -6.939 -9.533 1.00 0.00 H new ATOM 0 HA ASN A 87 -10.663 -7.366 -11.068 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -9.396 -4.744 -10.150 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -8.912 -5.637 -11.579 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -11.132 -3.090 -12.917 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -9.503 -3.305 -12.268 1.00 0.00 H new ATOM 1354 N HIS A 88 -9.379 -7.820 -8.343 1.00 0.00 N ATOM 1355 CA HIS A 88 -8.364 -8.469 -7.531 1.00 0.00 C ATOM 1356 C HIS A 88 -7.164 -7.534 -7.366 1.00 0.00 C ATOM 1357 O HIS A 88 -6.042 -7.888 -7.726 1.00 0.00 O ATOM 1358 CB HIS A 88 -7.980 -9.826 -8.124 1.00 0.00 C ATOM 1359 CG HIS A 88 -8.114 -10.978 -7.157 1.00 0.00 C ATOM 1360 ND1 HIS A 88 -7.475 -12.191 -7.343 1.00 0.00 N ATOM 1361 CD2 HIS A 88 -8.819 -11.089 -5.995 1.00 0.00 C ATOM 1362 CE1 HIS A 88 -7.788 -12.989 -6.333 1.00 0.00 C ATOM 1363 NE2 HIS A 88 -8.622 -12.304 -5.498 1.00 0.00 N ATOM 0 H HIS A 88 -10.296 -7.747 -7.901 1.00 0.00 H new ATOM 0 HA HIS A 88 -8.763 -8.671 -6.537 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -8.606 -10.021 -8.995 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -6.950 -9.779 -8.477 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -9.434 -10.319 -5.554 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -7.444 -14.003 -6.195 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -9.027 -12.666 -4.635 1.00 0.00 H new ATOM 1371 N TYR A 89 -7.441 -6.358 -6.822 1.00 0.00 N ATOM 1372 CA TYR A 89 -6.399 -5.369 -6.605 1.00 0.00 C ATOM 1373 C TYR A 89 -6.558 -4.696 -5.240 1.00 0.00 C ATOM 1374 O TYR A 89 -7.654 -4.667 -4.682 1.00 0.00 O ATOM 1375 CB TYR A 89 -6.578 -4.319 -7.703 1.00 0.00 C ATOM 1376 CG TYR A 89 -5.883 -4.671 -9.020 1.00 0.00 C ATOM 1377 CD1 TYR A 89 -4.612 -5.210 -9.007 1.00 0.00 C ATOM 1378 CD2 TYR A 89 -6.526 -4.449 -10.220 1.00 0.00 C ATOM 1379 CE1 TYR A 89 -3.958 -5.541 -10.246 1.00 0.00 C ATOM 1380 CE2 TYR A 89 -5.872 -4.780 -11.460 1.00 0.00 C ATOM 1381 CZ TYR A 89 -4.620 -5.309 -11.411 1.00 0.00 C ATOM 1382 OH TYR A 89 -4.002 -5.622 -12.582 1.00 0.00 O ATOM 0 H TYR A 89 -8.373 -6.068 -6.525 1.00 0.00 H new ATOM 0 HA TYR A 89 -5.415 -5.836 -6.631 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.643 -4.183 -7.891 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.193 -3.364 -7.345 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.108 -5.383 -8.067 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.520 -4.027 -10.230 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -2.964 -5.964 -10.250 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.364 -4.612 -12.406 1.00 0.00 H new ATOM 0 HH TYR A 89 -4.593 -5.403 -13.332 1.00 0.00 H new ATOM 1392 N ASN A 90 -5.448 -4.170 -4.742 1.00 0.00 N ATOM 1393 CA ASN A 90 -5.450 -3.499 -3.454 1.00 0.00 C ATOM 1394 C ASN A 90 -5.189 -2.006 -3.661 1.00 0.00 C ATOM 1395 O ASN A 90 -4.600 -1.609 -4.666 1.00 0.00 O ATOM 1396 CB ASN A 90 -4.351 -4.049 -2.544 1.00 0.00 C ATOM 1397 CG ASN A 90 -4.351 -5.579 -2.547 1.00 0.00 C ATOM 1398 OD1 ASN A 90 -4.325 -6.223 -3.583 1.00 0.00 O ATOM 1399 ND2 ASN A 90 -4.381 -6.123 -1.334 1.00 0.00 N ATOM 0 H ASN A 90 -4.541 -4.195 -5.208 1.00 0.00 H new ATOM 0 HA ASN A 90 -6.421 -3.667 -2.988 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.380 -3.681 -2.877 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.499 -3.684 -1.528 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.383 -7.138 -1.230 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -4.402 -5.526 -0.508 1.00 0.00 H new ATOM 1406 N THR A 91 -5.640 -1.219 -2.696 1.00 0.00 N ATOM 1407 CA THR A 91 -5.463 0.222 -2.760 1.00 0.00 C ATOM 1408 C THR A 91 -4.856 0.743 -1.456 1.00 0.00 C ATOM 1409 O THR A 91 -4.750 0.005 -0.478 1.00 0.00 O ATOM 1410 CB THR A 91 -6.817 0.851 -3.094 1.00 0.00 C ATOM 1411 OG1 THR A 91 -7.670 0.421 -2.036 1.00 0.00 O ATOM 1412 CG2 THR A 91 -7.449 0.247 -4.350 1.00 0.00 C ATOM 0 H THR A 91 -6.128 -1.552 -1.865 1.00 0.00 H new ATOM 0 HA THR A 91 -4.758 0.499 -3.544 1.00 0.00 H new ATOM 0 HB THR A 91 -6.694 1.926 -3.230 1.00 0.00 H new ATOM 0 HG1 THR A 91 -8.569 0.785 -2.172 1.00 0.00 H new ATOM 0 HG21 THR A 91 -8.408 0.728 -4.542 1.00 0.00 H new ATOM 0 HG22 THR A 91 -6.787 0.404 -5.202 1.00 0.00 H new ATOM 0 HG23 THR A 91 -7.603 -0.822 -4.202 1.00 0.00 H new ATOM 1420 N TYR A 92 -4.474 2.012 -1.483 1.00 0.00 N ATOM 1421 CA TYR A 92 -3.881 2.640 -0.316 1.00 0.00 C ATOM 1422 C TYR A 92 -4.206 4.135 -0.273 1.00 0.00 C ATOM 1423 O TYR A 92 -4.076 4.831 -1.278 1.00 0.00 O ATOM 1424 CB TYR A 92 -2.369 2.463 -0.464 1.00 0.00 C ATOM 1425 CG TYR A 92 -1.922 1.005 -0.590 1.00 0.00 C ATOM 1426 CD1 TYR A 92 -2.207 0.107 0.417 1.00 0.00 C ATOM 1427 CD2 TYR A 92 -1.234 0.589 -1.712 1.00 0.00 C ATOM 1428 CE1 TYR A 92 -1.787 -1.265 0.299 1.00 0.00 C ATOM 1429 CE2 TYR A 92 -0.813 -0.783 -1.831 1.00 0.00 C ATOM 1430 CZ TYR A 92 -1.111 -1.642 -0.819 1.00 0.00 C ATOM 1431 OH TYR A 92 -0.714 -2.938 -0.932 1.00 0.00 O ATOM 0 H TYR A 92 -4.564 2.622 -2.296 1.00 0.00 H new ATOM 0 HA TYR A 92 -4.267 2.191 0.599 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -2.034 3.012 -1.344 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -1.875 2.910 0.399 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.746 0.433 1.295 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -1.011 1.292 -2.501 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -2.004 -1.978 1.080 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -0.273 -1.122 -2.703 1.00 0.00 H new ATOM 0 HH TYR A 92 -0.463 -3.123 -1.861 1.00 0.00 H new ATOM 1441 N ILE A 93 -4.623 4.584 0.902 1.00 0.00 N ATOM 1442 CA ILE A 93 -4.967 5.983 1.089 1.00 0.00 C ATOM 1443 C ILE A 93 -4.276 6.510 2.348 1.00 0.00 C ATOM 1444 O ILE A 93 -4.073 5.767 3.306 1.00 0.00 O ATOM 1445 CB ILE A 93 -6.487 6.164 1.100 1.00 0.00 C ATOM 1446 CG1 ILE A 93 -7.079 5.915 -0.288 1.00 0.00 C ATOM 1447 CG2 ILE A 93 -6.871 7.539 1.650 1.00 0.00 C ATOM 1448 CD1 ILE A 93 -8.571 5.588 -0.198 1.00 0.00 C ATOM 0 H ILE A 93 -4.730 4.003 1.734 1.00 0.00 H new ATOM 0 HA ILE A 93 -4.604 6.580 0.252 1.00 0.00 H new ATOM 0 HB ILE A 93 -6.915 5.419 1.770 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -6.933 6.796 -0.913 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.551 5.092 -0.770 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -7.956 7.642 1.647 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -6.500 7.640 2.670 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.431 8.317 1.025 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.967 5.415 -1.199 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -8.711 4.692 0.407 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -9.099 6.423 0.262 1.00 0.00 H new ATOM 1460 N SER A 94 -3.933 7.789 2.304 1.00 0.00 N ATOM 1461 CA SER A 94 -3.269 8.425 3.429 1.00 0.00 C ATOM 1462 C SER A 94 -4.254 8.605 4.586 1.00 0.00 C ATOM 1463 O SER A 94 -5.408 8.973 4.370 1.00 0.00 O ATOM 1464 CB SER A 94 -2.671 9.774 3.026 1.00 0.00 C ATOM 1465 OG SER A 94 -1.680 10.217 3.949 1.00 0.00 O ATOM 0 H SER A 94 -4.103 8.402 1.507 1.00 0.00 H new ATOM 0 HA SER A 94 -2.453 7.779 3.753 1.00 0.00 H new ATOM 0 HB2 SER A 94 -2.230 9.693 2.032 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.465 10.518 2.962 1.00 0.00 H new ATOM 0 HG SER A 94 -1.322 11.081 3.655 1.00 0.00 H new ATOM 1471 N LYS A 95 -3.764 8.337 5.787 1.00 0.00 N ATOM 1472 CA LYS A 95 -4.587 8.465 6.977 1.00 0.00 C ATOM 1473 C LYS A 95 -4.796 9.948 7.291 1.00 0.00 C ATOM 1474 O LYS A 95 -5.930 10.420 7.348 1.00 0.00 O ATOM 1475 CB LYS A 95 -3.981 7.670 8.136 1.00 0.00 C ATOM 1476 CG LYS A 95 -5.072 7.152 9.075 1.00 0.00 C ATOM 1477 CD LYS A 95 -4.759 7.509 10.529 1.00 0.00 C ATOM 1478 CE LYS A 95 -6.023 7.457 11.391 1.00 0.00 C ATOM 1479 NZ LYS A 95 -5.671 7.254 12.814 1.00 0.00 N ATOM 0 H LYS A 95 -2.807 8.032 5.962 1.00 0.00 H new ATOM 0 HA LYS A 95 -5.573 8.033 6.806 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.405 6.832 7.745 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.288 8.301 8.692 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -6.034 7.579 8.791 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -5.161 6.070 8.973 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -4.016 6.817 10.925 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -4.323 8.507 10.576 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -6.586 8.384 11.278 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -6.669 6.648 11.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -6.534 7.289 13.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -5.213 6.327 12.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -5.018 8.003 13.120 1.00 0.00 H new ATOM 1493 N LYS A 96 -3.683 10.641 7.485 1.00 0.00 N ATOM 1494 CA LYS A 96 -3.729 12.060 7.792 1.00 0.00 C ATOM 1495 C LYS A 96 -4.777 12.735 6.904 1.00 0.00 C ATOM 1496 O LYS A 96 -5.365 13.745 7.289 1.00 0.00 O ATOM 1497 CB LYS A 96 -2.335 12.679 7.677 1.00 0.00 C ATOM 1498 CG LYS A 96 -2.312 14.091 8.265 1.00 0.00 C ATOM 1499 CD LYS A 96 -1.177 14.244 9.279 1.00 0.00 C ATOM 1500 CE LYS A 96 -1.495 15.342 10.297 1.00 0.00 C ATOM 1501 NZ LYS A 96 -0.342 15.564 11.197 1.00 0.00 N ATOM 0 H LYS A 96 -2.744 10.246 7.435 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.037 12.216 8.826 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -1.611 12.052 8.198 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -2.033 12.712 6.630 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -2.190 14.820 7.464 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -3.266 14.304 8.747 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -1.017 13.298 9.797 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -0.250 14.483 8.759 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -1.742 16.268 9.777 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -2.371 15.062 10.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.575 16.312 11.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -0.125 14.684 11.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.485 15.853 10.637 1.00 0.00 H new ATOM 1515 N HIS A 97 -4.978 12.151 5.732 1.00 0.00 N ATOM 1516 CA HIS A 97 -5.944 12.683 4.786 1.00 0.00 C ATOM 1517 C HIS A 97 -7.220 11.839 4.826 1.00 0.00 C ATOM 1518 O HIS A 97 -8.141 12.135 5.586 1.00 0.00 O ATOM 1519 CB HIS A 97 -5.338 12.776 3.385 1.00 0.00 C ATOM 1520 CG HIS A 97 -4.146 13.698 3.291 1.00 0.00 C ATOM 1521 ND1 HIS A 97 -4.155 14.859 2.538 1.00 0.00 N ATOM 1522 CD2 HIS A 97 -2.911 13.619 3.863 1.00 0.00 C ATOM 1523 CE1 HIS A 97 -2.972 15.444 2.658 1.00 0.00 C ATOM 1524 NE2 HIS A 97 -2.202 14.673 3.479 1.00 0.00 N ATOM 0 H HIS A 97 -4.488 11.314 5.416 1.00 0.00 H new ATOM 0 HA HIS A 97 -6.214 13.700 5.070 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -5.039 11.779 3.063 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -6.105 13.119 2.691 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -2.568 12.832 4.518 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -2.670 16.369 2.188 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -1.240 14.874 3.753 1.00 0.00 H new ATOM 1532 N ALA A 98 -7.233 10.804 3.999 1.00 0.00 N ATOM 1533 CA ALA A 98 -8.380 9.915 3.930 1.00 0.00 C ATOM 1534 C ALA A 98 -9.572 10.673 3.341 1.00 0.00 C ATOM 1535 O ALA A 98 -10.003 10.388 2.225 1.00 0.00 O ATOM 1536 CB ALA A 98 -8.676 9.355 5.322 1.00 0.00 C ATOM 0 H ALA A 98 -6.467 10.561 3.371 1.00 0.00 H new ATOM 0 HA ALA A 98 -8.171 9.069 3.276 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -9.537 8.688 5.270 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.809 8.802 5.683 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -8.894 10.176 6.006 1.00 0.00 H new ATOM 1542 N GLU A 99 -10.071 11.623 4.118 1.00 0.00 N ATOM 1543 CA GLU A 99 -11.205 12.423 3.687 1.00 0.00 C ATOM 1544 C GLU A 99 -10.911 13.075 2.335 1.00 0.00 C ATOM 1545 O GLU A 99 -11.831 13.403 1.587 1.00 0.00 O ATOM 1546 CB GLU A 99 -11.562 13.477 4.737 1.00 0.00 C ATOM 1547 CG GLU A 99 -12.293 12.844 5.923 1.00 0.00 C ATOM 1548 CD GLU A 99 -11.649 13.255 7.248 1.00 0.00 C ATOM 1549 OE1 GLU A 99 -11.524 14.481 7.462 1.00 0.00 O ATOM 1550 OE2 GLU A 99 -11.296 12.336 8.017 1.00 0.00 O ATOM 0 H GLU A 99 -9.711 11.857 5.043 1.00 0.00 H new ATOM 0 HA GLU A 99 -12.066 11.765 3.572 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -10.655 13.970 5.086 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -12.190 14.246 4.287 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -13.340 13.148 5.914 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -12.276 11.758 5.828 1.00 0.00 H new ATOM 1557 N LYS A 100 -9.625 13.243 2.061 1.00 0.00 N ATOM 1558 CA LYS A 100 -9.199 13.849 0.812 1.00 0.00 C ATOM 1559 C LYS A 100 -9.314 12.820 -0.315 1.00 0.00 C ATOM 1560 O LYS A 100 -9.207 13.167 -1.490 1.00 0.00 O ATOM 1561 CB LYS A 100 -7.799 14.449 0.957 1.00 0.00 C ATOM 1562 CG LYS A 100 -7.712 15.346 2.193 1.00 0.00 C ATOM 1563 CD LYS A 100 -7.020 16.670 1.862 1.00 0.00 C ATOM 1564 CE LYS A 100 -6.289 17.227 3.085 1.00 0.00 C ATOM 1565 NZ LYS A 100 -5.797 18.597 2.816 1.00 0.00 N ATOM 0 H LYS A 100 -8.865 12.970 2.683 1.00 0.00 H new ATOM 0 HA LYS A 100 -9.852 14.682 0.551 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.063 13.649 1.031 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.553 15.027 0.066 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -8.714 15.541 2.576 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.163 14.832 2.982 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -6.312 16.520 1.047 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -7.758 17.393 1.514 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.960 17.238 3.944 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.452 16.578 3.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -5.303 18.960 3.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.140 18.578 2.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.601 19.217 2.592 1.00 0.00 H new ATOM 1579 N ASN A 101 -9.530 11.575 0.084 1.00 0.00 N ATOM 1580 CA ASN A 101 -9.660 10.494 -0.878 1.00 0.00 C ATOM 1581 C ASN A 101 -8.499 10.559 -1.873 1.00 0.00 C ATOM 1582 O ASN A 101 -8.710 10.782 -3.064 1.00 0.00 O ATOM 1583 CB ASN A 101 -10.966 10.611 -1.666 1.00 0.00 C ATOM 1584 CG ASN A 101 -12.062 11.258 -0.816 1.00 0.00 C ATOM 1585 OD1 ASN A 101 -12.127 12.465 -0.655 1.00 0.00 O ATOM 1586 ND2 ASN A 101 -12.917 10.389 -0.285 1.00 0.00 N ATOM 0 H ASN A 101 -9.618 11.291 1.060 1.00 0.00 H new ATOM 0 HA ASN A 101 -9.654 9.552 -0.329 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -10.801 11.204 -2.566 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -11.289 9.622 -1.991 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -13.686 10.721 0.298 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -12.804 9.391 -0.460 1.00 0.00 H new ATOM 1593 N TRP A 102 -7.299 10.361 -1.347 1.00 0.00 N ATOM 1594 CA TRP A 102 -6.105 10.395 -2.175 1.00 0.00 C ATOM 1595 C TRP A 102 -5.520 8.982 -2.219 1.00 0.00 C ATOM 1596 O TRP A 102 -5.383 8.331 -1.184 1.00 0.00 O ATOM 1597 CB TRP A 102 -5.111 11.438 -1.660 1.00 0.00 C ATOM 1598 CG TRP A 102 -5.622 12.878 -1.741 1.00 0.00 C ATOM 1599 CD1 TRP A 102 -6.760 13.320 -2.294 1.00 0.00 C ATOM 1600 CD2 TRP A 102 -4.962 14.054 -1.227 1.00 0.00 C ATOM 1601 NE1 TRP A 102 -6.881 14.690 -2.174 1.00 0.00 N ATOM 1602 CE2 TRP A 102 -5.753 15.150 -1.505 1.00 0.00 C ATOM 1603 CE3 TRP A 102 -3.737 14.188 -0.550 1.00 0.00 C ATOM 1604 CZ2 TRP A 102 -5.407 16.457 -1.143 1.00 0.00 C ATOM 1605 CZ3 TRP A 102 -3.405 15.501 -0.195 1.00 0.00 C ATOM 1606 CH2 TRP A 102 -4.191 16.615 -0.467 1.00 0.00 C ATOM 0 H TRP A 102 -7.128 10.177 -0.359 1.00 0.00 H new ATOM 0 HA TRP A 102 -6.349 10.702 -3.192 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -4.864 11.209 -0.623 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -4.187 11.358 -2.233 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -7.490 12.685 -2.773 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -7.656 15.260 -2.514 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -3.102 13.345 -0.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -6.044 17.299 -1.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -2.473 15.660 0.327 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -3.865 17.597 -0.158 1.00 0.00 H new ATOM 1617 N PHE A 103 -5.192 8.550 -3.427 1.00 0.00 N ATOM 1618 CA PHE A 103 -4.625 7.226 -3.620 1.00 0.00 C ATOM 1619 C PHE A 103 -3.179 7.315 -4.111 1.00 0.00 C ATOM 1620 O PHE A 103 -2.815 8.257 -4.813 1.00 0.00 O ATOM 1621 CB PHE A 103 -5.471 6.527 -4.686 1.00 0.00 C ATOM 1622 CG PHE A 103 -6.939 6.345 -4.295 1.00 0.00 C ATOM 1623 CD1 PHE A 103 -7.805 7.388 -4.398 1.00 0.00 C ATOM 1624 CD2 PHE A 103 -7.378 5.139 -3.844 1.00 0.00 C ATOM 1625 CE1 PHE A 103 -9.168 7.219 -4.035 1.00 0.00 C ATOM 1626 CE2 PHE A 103 -8.740 4.970 -3.480 1.00 0.00 C ATOM 1627 CZ PHE A 103 -9.606 6.013 -3.584 1.00 0.00 C ATOM 0 H PHE A 103 -5.308 9.093 -4.283 1.00 0.00 H new ATOM 0 HA PHE A 103 -4.627 6.680 -2.677 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -5.421 7.103 -5.610 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -5.038 5.549 -4.895 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -7.457 8.346 -4.756 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -6.691 4.310 -3.763 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -9.856 8.048 -4.117 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -9.088 4.013 -3.121 1.00 0.00 H new ATOM 0 HZ PHE A 103 -10.642 5.884 -3.308 1.00 0.00 H new ATOM 1637 N VAL A 104 -2.393 6.321 -3.723 1.00 0.00 N ATOM 1638 CA VAL A 104 -0.995 6.275 -4.115 1.00 0.00 C ATOM 1639 C VAL A 104 -0.899 5.984 -5.614 1.00 0.00 C ATOM 1640 O VAL A 104 0.088 6.338 -6.256 1.00 0.00 O ATOM 1641 CB VAL A 104 -0.245 5.252 -3.259 1.00 0.00 C ATOM 1642 CG1 VAL A 104 1.117 4.919 -3.871 1.00 0.00 C ATOM 1643 CG2 VAL A 104 -0.093 5.749 -1.819 1.00 0.00 C ATOM 0 H VAL A 104 -2.698 5.541 -3.141 1.00 0.00 H new ATOM 0 HA VAL A 104 -0.518 7.239 -3.940 1.00 0.00 H new ATOM 0 HB VAL A 104 -0.835 4.336 -3.237 1.00 0.00 H new ATOM 0 HG11 VAL A 104 1.629 4.190 -3.243 1.00 0.00 H new ATOM 0 HG12 VAL A 104 0.976 4.503 -4.869 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.718 5.826 -3.938 1.00 0.00 H new ATOM 0 HG21 VAL A 104 0.443 5.004 -1.232 1.00 0.00 H new ATOM 0 HG22 VAL A 104 0.465 6.685 -1.814 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.079 5.912 -1.384 1.00 0.00 H new ATOM 1653 N GLY A 105 -1.939 5.344 -6.128 1.00 0.00 N ATOM 1654 CA GLY A 105 -1.985 5.002 -7.539 1.00 0.00 C ATOM 1655 C GLY A 105 -1.208 6.021 -8.375 1.00 0.00 C ATOM 1656 O GLY A 105 -1.235 7.216 -8.086 1.00 0.00 O ATOM 0 H GLY A 105 -2.757 5.053 -5.592 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -1.566 4.007 -7.690 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -3.021 4.965 -7.875 1.00 0.00 H new ATOM 1660 N LEU A 106 -0.535 5.511 -9.396 1.00 0.00 N ATOM 1661 CA LEU A 106 0.247 6.362 -10.277 1.00 0.00 C ATOM 1662 C LEU A 106 -0.472 6.497 -11.620 1.00 0.00 C ATOM 1663 O LEU A 106 -1.311 5.666 -11.965 1.00 0.00 O ATOM 1664 CB LEU A 106 1.679 5.837 -10.396 1.00 0.00 C ATOM 1665 CG LEU A 106 2.372 5.473 -9.081 1.00 0.00 C ATOM 1666 CD1 LEU A 106 3.017 4.088 -9.166 1.00 0.00 C ATOM 1667 CD2 LEU A 106 3.379 6.551 -8.674 1.00 0.00 C ATOM 0 H LEU A 106 -0.515 4.519 -9.633 1.00 0.00 H new ATOM 0 HA LEU A 106 0.333 7.365 -9.860 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.669 4.954 -11.035 1.00 0.00 H new ATOM 0 HB3 LEU A 106 2.280 6.591 -10.904 1.00 0.00 H new ATOM 0 HG LEU A 106 1.615 5.428 -8.298 1.00 0.00 H new ATOM 0 HD11 LEU A 106 3.503 3.854 -8.219 1.00 0.00 H new ATOM 0 HD12 LEU A 106 2.250 3.342 -9.375 1.00 0.00 H new ATOM 0 HD13 LEU A 106 3.758 4.080 -9.965 1.00 0.00 H new ATOM 0 HD21 LEU A 106 3.857 6.267 -7.736 1.00 0.00 H new ATOM 0 HD22 LEU A 106 4.137 6.653 -9.451 1.00 0.00 H new ATOM 0 HD23 LEU A 106 2.862 7.502 -8.544 1.00 0.00 H new ATOM 1679 N LYS A 107 -0.117 7.550 -12.342 1.00 0.00 N ATOM 1680 CA LYS A 107 -0.718 7.804 -13.640 1.00 0.00 C ATOM 1681 C LYS A 107 -0.263 6.727 -14.628 1.00 0.00 C ATOM 1682 O LYS A 107 0.376 5.752 -14.237 1.00 0.00 O ATOM 1683 CB LYS A 107 -0.413 9.230 -14.102 1.00 0.00 C ATOM 1684 CG LYS A 107 -1.182 10.254 -13.264 1.00 0.00 C ATOM 1685 CD LYS A 107 -1.560 11.476 -14.103 1.00 0.00 C ATOM 1686 CE LYS A 107 -3.067 11.517 -14.365 1.00 0.00 C ATOM 1687 NZ LYS A 107 -3.377 12.459 -15.464 1.00 0.00 N ATOM 0 H LYS A 107 0.579 8.237 -12.052 1.00 0.00 H new ATOM 0 HA LYS A 107 -1.804 7.740 -13.576 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.657 9.421 -14.023 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -0.680 9.341 -15.153 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -2.083 9.794 -12.858 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.573 10.565 -12.415 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -1.252 12.385 -13.587 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -1.023 11.451 -15.051 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -3.425 10.520 -14.621 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -3.591 11.821 -13.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -4.404 12.475 -15.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -3.053 13.413 -15.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -2.892 12.152 -16.331 1.00 0.00 H new ATOM 1701 N LYS A 108 -0.610 6.941 -15.888 1.00 0.00 N ATOM 1702 CA LYS A 108 -0.246 6.001 -16.935 1.00 0.00 C ATOM 1703 C LYS A 108 0.986 6.524 -17.677 1.00 0.00 C ATOM 1704 O LYS A 108 1.572 5.813 -18.492 1.00 0.00 O ATOM 1705 CB LYS A 108 -1.442 5.725 -17.847 1.00 0.00 C ATOM 1706 CG LYS A 108 -1.560 4.231 -18.159 1.00 0.00 C ATOM 1707 CD LYS A 108 -2.589 3.981 -19.263 1.00 0.00 C ATOM 1708 CE LYS A 108 -1.968 4.179 -20.647 1.00 0.00 C ATOM 1709 NZ LYS A 108 -2.144 2.964 -21.473 1.00 0.00 N ATOM 0 H LYS A 108 -1.140 7.752 -16.208 1.00 0.00 H new ATOM 0 HA LYS A 108 0.025 5.037 -16.505 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -2.357 6.074 -17.368 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -1.334 6.287 -18.775 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -0.589 3.842 -18.467 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -1.849 3.689 -17.258 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -2.980 2.967 -19.178 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -3.433 4.660 -19.139 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -2.432 5.032 -21.142 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -0.907 4.407 -20.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -1.717 3.116 -22.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -1.681 2.158 -21.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -3.158 2.764 -21.584 1.00 0.00 H new ATOM 1723 N ASN A 109 1.342 7.762 -17.368 1.00 0.00 N ATOM 1724 CA ASN A 109 2.493 8.388 -17.996 1.00 0.00 C ATOM 1725 C ASN A 109 3.740 8.114 -17.153 1.00 0.00 C ATOM 1726 O ASN A 109 4.729 8.841 -17.245 1.00 0.00 O ATOM 1727 CB ASN A 109 2.312 9.904 -18.092 1.00 0.00 C ATOM 1728 CG ASN A 109 1.922 10.321 -19.512 1.00 0.00 C ATOM 1729 OD1 ASN A 109 1.446 9.531 -20.310 1.00 0.00 O ATOM 1730 ND2 ASN A 109 2.149 11.604 -19.781 1.00 0.00 N ATOM 0 H ASN A 109 0.854 8.348 -16.691 1.00 0.00 H new ATOM 0 HA ASN A 109 2.597 7.973 -18.999 1.00 0.00 H new ATOM 0 HB2 ASN A 109 1.543 10.227 -17.390 1.00 0.00 H new ATOM 0 HB3 ASN A 109 3.237 10.403 -17.804 1.00 0.00 H new ATOM 0 HD21 ASN A 109 1.922 11.980 -20.702 1.00 0.00 H new ATOM 0 HD22 ASN A 109 2.550 12.212 -19.067 1.00 0.00 H new ATOM 1737 N GLY A 110 3.654 7.064 -16.350 1.00 0.00 N ATOM 1738 CA GLY A 110 4.763 6.685 -15.491 1.00 0.00 C ATOM 1739 C GLY A 110 5.067 7.784 -14.471 1.00 0.00 C ATOM 1740 O GLY A 110 6.230 8.083 -14.204 1.00 0.00 O ATOM 0 H GLY A 110 2.833 6.463 -16.276 1.00 0.00 H new ATOM 0 HA2 GLY A 110 4.524 5.757 -14.971 1.00 0.00 H new ATOM 0 HA3 GLY A 110 5.648 6.492 -16.097 1.00 0.00 H new ATOM 1744 N SER A 111 4.002 8.355 -13.929 1.00 0.00 N ATOM 1745 CA SER A 111 4.140 9.415 -12.945 1.00 0.00 C ATOM 1746 C SER A 111 3.133 9.212 -11.812 1.00 0.00 C ATOM 1747 O SER A 111 2.147 8.493 -11.974 1.00 0.00 O ATOM 1748 CB SER A 111 3.948 10.791 -13.586 1.00 0.00 C ATOM 1749 OG SER A 111 5.189 11.389 -13.949 1.00 0.00 O ATOM 0 H SER A 111 3.039 8.104 -14.153 1.00 0.00 H new ATOM 0 HA SER A 111 5.150 9.373 -12.537 1.00 0.00 H new ATOM 0 HB2 SER A 111 3.320 10.694 -14.471 1.00 0.00 H new ATOM 0 HB3 SER A 111 3.420 11.444 -12.891 1.00 0.00 H new ATOM 0 HG SER A 111 5.023 12.265 -14.356 1.00 0.00 H new ATOM 1755 N CYS A 112 3.415 9.857 -10.689 1.00 0.00 N ATOM 1756 CA CYS A 112 2.545 9.755 -9.529 1.00 0.00 C ATOM 1757 C CYS A 112 1.304 10.613 -9.784 1.00 0.00 C ATOM 1758 O CYS A 112 1.412 11.745 -10.253 1.00 0.00 O ATOM 1759 CB CYS A 112 3.267 10.164 -8.244 1.00 0.00 C ATOM 1760 SG CYS A 112 3.825 11.902 -8.365 1.00 0.00 S ATOM 0 H CYS A 112 4.233 10.452 -10.558 1.00 0.00 H new ATOM 0 HA CYS A 112 2.245 8.717 -9.385 1.00 0.00 H new ATOM 0 HB2 CYS A 112 2.601 10.046 -7.390 1.00 0.00 H new ATOM 0 HB3 CYS A 112 4.122 9.510 -8.074 1.00 0.00 H new ATOM 0 HG CYS A 112 3.059 12.547 -9.195 1.00 0.00 H new ATOM 1766 N LYS A 113 0.153 10.041 -9.463 1.00 0.00 N ATOM 1767 CA LYS A 113 -1.108 10.738 -9.650 1.00 0.00 C ATOM 1768 C LYS A 113 -1.451 11.514 -8.377 1.00 0.00 C ATOM 1769 O LYS A 113 -1.725 10.917 -7.337 1.00 0.00 O ATOM 1770 CB LYS A 113 -2.201 9.761 -10.089 1.00 0.00 C ATOM 1771 CG LYS A 113 -3.496 10.503 -10.426 1.00 0.00 C ATOM 1772 CD LYS A 113 -4.661 9.525 -10.591 1.00 0.00 C ATOM 1773 CE LYS A 113 -5.454 9.826 -11.865 1.00 0.00 C ATOM 1774 NZ LYS A 113 -5.766 8.574 -12.590 1.00 0.00 N ATOM 0 H LYS A 113 0.067 9.102 -9.074 1.00 0.00 H new ATOM 0 HA LYS A 113 -1.024 11.468 -10.455 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -1.863 9.198 -10.959 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -2.388 9.038 -9.295 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -3.726 11.218 -9.636 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -3.363 11.075 -11.345 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -4.281 8.504 -10.628 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -5.320 9.589 -9.725 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -6.378 10.346 -11.611 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -4.880 10.492 -12.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -6.304 8.797 -13.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -4.881 8.093 -12.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -6.332 7.951 -11.979 1.00 0.00 H new ATOM 1788 N ARG A 114 -1.426 12.833 -8.500 1.00 0.00 N ATOM 1789 CA ARG A 114 -1.731 13.696 -7.372 1.00 0.00 C ATOM 1790 C ARG A 114 -2.847 13.085 -6.522 1.00 0.00 C ATOM 1791 O ARG A 114 -3.815 12.546 -7.057 1.00 0.00 O ATOM 1792 CB ARG A 114 -2.162 15.086 -7.844 1.00 0.00 C ATOM 1793 CG ARG A 114 -1.005 16.083 -7.742 1.00 0.00 C ATOM 1794 CD ARG A 114 -0.445 16.416 -9.126 1.00 0.00 C ATOM 1795 NE ARG A 114 -1.339 17.374 -9.816 1.00 0.00 N ATOM 1796 CZ ARG A 114 -1.044 17.972 -10.978 1.00 0.00 C ATOM 1797 NH1 ARG A 114 0.121 17.715 -11.588 1.00 0.00 N ATOM 1798 NH2 ARG A 114 -1.916 18.827 -11.531 1.00 0.00 N ATOM 0 H ARG A 114 -1.199 13.325 -9.364 1.00 0.00 H new ATOM 0 HA ARG A 114 -0.825 13.792 -6.773 1.00 0.00 H new ATOM 0 HB2 ARG A 114 -2.510 15.032 -8.875 1.00 0.00 H new ATOM 0 HB3 ARG A 114 -3.001 15.434 -7.242 1.00 0.00 H new ATOM 0 HG2 ARG A 114 -1.349 16.996 -7.256 1.00 0.00 H new ATOM 0 HG3 ARG A 114 -0.215 15.666 -7.117 1.00 0.00 H new ATOM 0 HD2 ARG A 114 0.554 16.842 -9.031 1.00 0.00 H new ATOM 0 HD3 ARG A 114 -0.348 15.505 -9.717 1.00 0.00 H new ATOM 0 HE ARG A 114 -2.235 17.592 -9.380 1.00 0.00 H new ATOM 0 HH11 ARG A 114 0.784 17.064 -11.168 1.00 0.00 H new ATOM 0 HH12 ARG A 114 0.345 18.171 -12.473 1.00 0.00 H new ATOM 0 HH21 ARG A 114 -2.803 19.022 -11.067 1.00 0.00 H new ATOM 0 HH22 ARG A 114 -1.692 19.283 -12.416 1.00 0.00 H new ATOM 1812 N GLY A 115 -2.674 13.188 -5.213 1.00 0.00 N ATOM 1813 CA GLY A 115 -3.654 12.652 -4.284 1.00 0.00 C ATOM 1814 C GLY A 115 -5.062 13.140 -4.631 1.00 0.00 C ATOM 1815 O GLY A 115 -5.969 12.334 -4.835 1.00 0.00 O ATOM 0 H GLY A 115 -1.869 13.635 -4.773 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -3.626 11.563 -4.309 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -3.401 12.954 -3.268 1.00 0.00 H new ATOM 1819 N PRO A 116 -5.205 14.491 -4.688 1.00 0.00 N ATOM 1820 CA PRO A 116 -6.487 15.096 -5.007 1.00 0.00 C ATOM 1821 C PRO A 116 -6.799 14.965 -6.499 1.00 0.00 C ATOM 1822 O PRO A 116 -7.447 15.834 -7.080 1.00 0.00 O ATOM 1823 CB PRO A 116 -6.365 16.540 -4.550 1.00 0.00 C ATOM 1824 CG PRO A 116 -4.875 16.812 -4.421 1.00 0.00 C ATOM 1825 CD PRO A 116 -4.153 15.476 -4.452 1.00 0.00 C ATOM 0 HA PRO A 116 -7.321 14.603 -4.507 1.00 0.00 H new ATOM 0 HB2 PRO A 116 -6.825 17.217 -5.269 1.00 0.00 H new ATOM 0 HB3 PRO A 116 -6.874 16.693 -3.598 1.00 0.00 H new ATOM 0 HG2 PRO A 116 -4.532 17.450 -5.235 1.00 0.00 H new ATOM 0 HG3 PRO A 116 -4.662 17.339 -3.491 1.00 0.00 H new ATOM 0 HD2 PRO A 116 -3.402 15.450 -5.242 1.00 0.00 H new ATOM 0 HD3 PRO A 116 -3.635 15.284 -3.513 1.00 0.00 H new ATOM 1833 N ARG A 117 -6.323 13.872 -7.077 1.00 0.00 N ATOM 1834 CA ARG A 117 -6.543 13.616 -8.490 1.00 0.00 C ATOM 1835 C ARG A 117 -6.784 12.124 -8.729 1.00 0.00 C ATOM 1836 O ARG A 117 -6.587 11.629 -9.837 1.00 0.00 O ATOM 1837 CB ARG A 117 -5.345 14.072 -9.325 1.00 0.00 C ATOM 1838 CG ARG A 117 -5.247 15.599 -9.356 1.00 0.00 C ATOM 1839 CD ARG A 117 -5.381 16.128 -10.786 1.00 0.00 C ATOM 1840 NE ARG A 117 -5.117 17.584 -10.814 1.00 0.00 N ATOM 1841 CZ ARG A 117 -5.431 18.385 -11.841 1.00 0.00 C ATOM 1842 NH1 ARG A 117 -6.021 17.876 -12.931 1.00 0.00 N ATOM 1843 NH2 ARG A 117 -5.154 19.694 -11.779 1.00 0.00 N ATOM 0 H ARG A 117 -5.786 13.153 -6.592 1.00 0.00 H new ATOM 0 HA ARG A 117 -7.422 14.183 -8.796 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -4.428 13.654 -8.910 1.00 0.00 H new ATOM 0 HB3 ARG A 117 -5.439 13.689 -10.341 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -6.029 16.030 -8.730 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -4.292 15.914 -8.936 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -4.680 15.610 -11.441 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -6.382 15.924 -11.166 1.00 0.00 H new ATOM 0 HE ARG A 117 -4.668 18.004 -10.000 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -6.231 16.879 -12.979 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -6.260 18.486 -13.713 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -4.704 20.081 -10.950 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -5.393 20.304 -12.561 1.00 0.00 H new ATOM 1857 N THR A 118 -7.207 11.449 -7.670 1.00 0.00 N ATOM 1858 CA THR A 118 -7.476 10.024 -7.750 1.00 0.00 C ATOM 1859 C THR A 118 -8.947 9.741 -7.435 1.00 0.00 C ATOM 1860 O THR A 118 -9.658 10.614 -6.940 1.00 0.00 O ATOM 1861 CB THR A 118 -6.505 9.305 -6.811 1.00 0.00 C ATOM 1862 OG1 THR A 118 -6.487 10.119 -5.642 1.00 0.00 O ATOM 1863 CG2 THR A 118 -5.062 9.348 -7.318 1.00 0.00 C ATOM 0 H THR A 118 -7.370 11.863 -6.752 1.00 0.00 H new ATOM 0 HA THR A 118 -7.313 9.647 -8.760 1.00 0.00 H new ATOM 0 HB THR A 118 -6.817 8.267 -6.690 1.00 0.00 H new ATOM 0 HG1 THR A 118 -5.914 10.899 -5.795 1.00 0.00 H new ATOM 0 HG21 THR A 118 -4.414 8.824 -6.616 1.00 0.00 H new ATOM 0 HG22 THR A 118 -5.005 8.866 -8.294 1.00 0.00 H new ATOM 0 HG23 THR A 118 -4.738 10.385 -7.406 1.00 0.00 H new ATOM 1871 N HIS A 119 -9.359 8.518 -7.736 1.00 0.00 N ATOM 1872 CA HIS A 119 -10.731 8.109 -7.492 1.00 0.00 C ATOM 1873 C HIS A 119 -10.781 6.600 -7.244 1.00 0.00 C ATOM 1874 O HIS A 119 -9.793 5.900 -7.457 1.00 0.00 O ATOM 1875 CB HIS A 119 -11.642 8.552 -8.638 1.00 0.00 C ATOM 1876 CG HIS A 119 -12.368 9.851 -8.380 1.00 0.00 C ATOM 1877 ND1 HIS A 119 -11.887 11.076 -8.809 1.00 0.00 N ATOM 1878 CD2 HIS A 119 -13.542 10.103 -7.735 1.00 0.00 C ATOM 1879 CE1 HIS A 119 -12.741 12.016 -8.432 1.00 0.00 C ATOM 1880 NE2 HIS A 119 -13.766 11.411 -7.766 1.00 0.00 N ATOM 0 H HIS A 119 -8.766 7.797 -8.147 1.00 0.00 H new ATOM 0 HA HIS A 119 -11.107 8.602 -6.595 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -11.045 8.655 -9.544 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -12.376 7.769 -8.828 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -14.182 9.364 -7.276 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -12.643 13.075 -8.619 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -14.572 11.885 -7.359 1.00 0.00 H new ATOM 1888 N TYR A 120 -11.942 6.145 -6.796 1.00 0.00 N ATOM 1889 CA TYR A 120 -12.133 4.732 -6.517 1.00 0.00 C ATOM 1890 C TYR A 120 -12.639 3.991 -7.756 1.00 0.00 C ATOM 1891 O TYR A 120 -13.618 4.405 -8.375 1.00 0.00 O ATOM 1892 CB TYR A 120 -13.201 4.659 -5.423 1.00 0.00 C ATOM 1893 CG TYR A 120 -12.918 3.611 -4.345 1.00 0.00 C ATOM 1894 CD1 TYR A 120 -11.640 3.465 -3.844 1.00 0.00 C ATOM 1895 CD2 TYR A 120 -13.940 2.812 -3.874 1.00 0.00 C ATOM 1896 CE1 TYR A 120 -11.374 2.479 -2.829 1.00 0.00 C ATOM 1897 CE2 TYR A 120 -13.673 1.826 -2.859 1.00 0.00 C ATOM 1898 CZ TYR A 120 -12.403 1.708 -2.387 1.00 0.00 C ATOM 1899 OH TYR A 120 -12.151 0.777 -1.428 1.00 0.00 O ATOM 0 H TYR A 120 -12.759 6.729 -6.619 1.00 0.00 H new ATOM 0 HA TYR A 120 -11.193 4.270 -6.216 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -13.289 5.637 -4.950 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -14.164 4.440 -5.884 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -10.840 4.090 -4.213 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -14.940 2.926 -4.267 1.00 0.00 H new ATOM 0 HE1 TYR A 120 -10.379 2.355 -2.428 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -14.463 1.194 -2.481 1.00 0.00 H new ATOM 0 HH TYR A 120 -11.413 1.084 -0.860 1.00 0.00 H new ATOM 1909 N GLY A 121 -11.947 2.909 -8.083 1.00 0.00 N ATOM 1910 CA GLY A 121 -12.313 2.107 -9.238 1.00 0.00 C ATOM 1911 C GLY A 121 -11.417 2.429 -10.435 1.00 0.00 C ATOM 1912 O GLY A 121 -11.825 2.261 -11.583 1.00 0.00 O ATOM 0 H GLY A 121 -11.135 2.569 -7.568 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -12.230 1.049 -8.991 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -13.355 2.293 -9.499 1.00 0.00 H new ATOM 1916 N GLN A 122 -10.212 2.885 -10.126 1.00 0.00 N ATOM 1917 CA GLN A 122 -9.255 3.232 -11.163 1.00 0.00 C ATOM 1918 C GLN A 122 -8.073 2.260 -11.140 1.00 0.00 C ATOM 1919 O GLN A 122 -7.553 1.934 -10.074 1.00 0.00 O ATOM 1920 CB GLN A 122 -8.779 4.677 -11.008 1.00 0.00 C ATOM 1921 CG GLN A 122 -9.950 5.655 -11.119 1.00 0.00 C ATOM 1922 CD GLN A 122 -9.507 6.971 -11.763 1.00 0.00 C ATOM 1923 OE1 GLN A 122 -9.256 7.942 -10.890 1.00 0.00 O flip ATOM 1924 NE2 GLN A 122 -9.399 7.095 -12.972 1.00 0.00 N flip ATOM 0 H GLN A 122 -9.877 3.022 -9.173 1.00 0.00 H new ATOM 0 HA GLN A 122 -9.750 3.149 -12.130 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -8.288 4.800 -10.043 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -8.038 4.904 -11.774 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -10.748 5.207 -11.711 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -10.360 5.851 -10.128 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -9.608 6.308 -13.586 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -9.100 7.986 -13.369 1.00 0.00 H new ATOM 1933 N LYS A 123 -7.684 1.824 -12.329 1.00 0.00 N ATOM 1934 CA LYS A 123 -6.573 0.896 -12.459 1.00 0.00 C ATOM 1935 C LYS A 123 -5.338 1.486 -11.777 1.00 0.00 C ATOM 1936 O LYS A 123 -4.403 0.761 -11.443 1.00 0.00 O ATOM 1937 CB LYS A 123 -6.349 0.532 -13.928 1.00 0.00 C ATOM 1938 CG LYS A 123 -5.385 -0.649 -14.059 1.00 0.00 C ATOM 1939 CD LYS A 123 -6.105 -1.888 -14.597 1.00 0.00 C ATOM 1940 CE LYS A 123 -5.793 -2.102 -16.080 1.00 0.00 C ATOM 1941 NZ LYS A 123 -7.030 -2.415 -16.830 1.00 0.00 N ATOM 0 H LYS A 123 -8.118 2.096 -13.211 1.00 0.00 H new ATOM 0 HA LYS A 123 -6.799 -0.042 -11.952 1.00 0.00 H new ATOM 0 HB2 LYS A 123 -7.302 0.282 -14.394 1.00 0.00 H new ATOM 0 HB3 LYS A 123 -5.949 1.393 -14.463 1.00 0.00 H new ATOM 0 HG2 LYS A 123 -4.566 -0.382 -14.726 1.00 0.00 H new ATOM 0 HG3 LYS A 123 -4.945 -0.873 -13.087 1.00 0.00 H new ATOM 0 HD2 LYS A 123 -5.801 -2.766 -14.027 1.00 0.00 H new ATOM 0 HD3 LYS A 123 -7.181 -1.776 -14.460 1.00 0.00 H new ATOM 0 HE2 LYS A 123 -5.327 -1.207 -16.493 1.00 0.00 H new ATOM 0 HE3 LYS A 123 -5.076 -2.915 -16.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 -6.800 -2.557 -17.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 -7.459 -3.282 -16.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 -7.701 -1.626 -16.737 1.00 0.00 H new ATOM 1955 N ALA A 124 -5.375 2.797 -11.589 1.00 0.00 N ATOM 1956 CA ALA A 124 -4.270 3.494 -10.952 1.00 0.00 C ATOM 1957 C ALA A 124 -4.177 3.061 -9.487 1.00 0.00 C ATOM 1958 O ALA A 124 -3.183 2.467 -9.074 1.00 0.00 O ATOM 1959 CB ALA A 124 -4.464 5.004 -11.102 1.00 0.00 C ATOM 0 H ALA A 124 -6.153 3.395 -11.867 1.00 0.00 H new ATOM 0 HA ALA A 124 -3.326 3.237 -11.433 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -3.635 5.527 -10.624 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -4.495 5.264 -12.160 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -5.400 5.299 -10.629 1.00 0.00 H new ATOM 1965 N ILE A 125 -5.227 3.375 -8.743 1.00 0.00 N ATOM 1966 CA ILE A 125 -5.276 3.026 -7.333 1.00 0.00 C ATOM 1967 C ILE A 125 -5.111 1.513 -7.180 1.00 0.00 C ATOM 1968 O ILE A 125 -4.466 1.047 -6.243 1.00 0.00 O ATOM 1969 CB ILE A 125 -6.552 3.573 -6.690 1.00 0.00 C ATOM 1970 CG1 ILE A 125 -7.722 2.606 -6.883 1.00 0.00 C ATOM 1971 CG2 ILE A 125 -6.874 4.974 -7.214 1.00 0.00 C ATOM 1972 CD1 ILE A 125 -9.043 3.253 -6.463 1.00 0.00 C ATOM 0 H ILE A 125 -6.050 3.867 -9.090 1.00 0.00 H new ATOM 0 HA ILE A 125 -4.450 3.493 -6.796 1.00 0.00 H new ATOM 0 HB ILE A 125 -6.382 3.662 -5.617 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -7.778 2.302 -7.928 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -7.553 1.703 -6.297 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -7.786 5.339 -6.741 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -6.049 5.648 -6.981 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -7.017 4.935 -8.294 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -9.858 2.545 -6.610 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -8.992 3.534 -5.411 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -9.221 4.142 -7.068 1.00 0.00 H new ATOM 1984 N LEU A 126 -5.705 0.788 -8.117 1.00 0.00 N ATOM 1985 CA LEU A 126 -5.631 -0.663 -8.098 1.00 0.00 C ATOM 1986 C LEU A 126 -4.166 -1.097 -8.182 1.00 0.00 C ATOM 1987 O LEU A 126 -3.567 -1.067 -9.256 1.00 0.00 O ATOM 1988 CB LEU A 126 -6.513 -1.259 -9.198 1.00 0.00 C ATOM 1989 CG LEU A 126 -8.007 -0.943 -9.104 1.00 0.00 C ATOM 1990 CD1 LEU A 126 -8.725 -1.295 -10.409 1.00 0.00 C ATOM 1991 CD2 LEU A 126 -8.639 -1.638 -7.897 1.00 0.00 C ATOM 0 H LEU A 126 -6.239 1.178 -8.893 1.00 0.00 H new ATOM 0 HA LEU A 126 -6.025 -1.052 -7.159 1.00 0.00 H new ATOM 0 HB2 LEU A 126 -6.147 -0.905 -10.162 1.00 0.00 H new ATOM 0 HB3 LEU A 126 -6.390 -2.342 -9.188 1.00 0.00 H new ATOM 0 HG LEU A 126 -8.120 0.131 -8.953 1.00 0.00 H new ATOM 0 HD11 LEU A 126 -9.785 -1.061 -10.315 1.00 0.00 H new ATOM 0 HD12 LEU A 126 -8.296 -0.717 -11.228 1.00 0.00 H new ATOM 0 HD13 LEU A 126 -8.605 -2.359 -10.615 1.00 0.00 H new ATOM 0 HD21 LEU A 126 -9.701 -1.397 -7.853 1.00 0.00 H new ATOM 0 HD22 LEU A 126 -8.515 -2.717 -7.992 1.00 0.00 H new ATOM 0 HD23 LEU A 126 -8.152 -1.296 -6.984 1.00 0.00 H new ATOM 2003 N PHE A 127 -3.632 -1.490 -7.035 1.00 0.00 N ATOM 2004 CA PHE A 127 -2.249 -1.929 -6.966 1.00 0.00 C ATOM 2005 C PHE A 127 -2.161 -3.408 -6.585 1.00 0.00 C ATOM 2006 O PHE A 127 -3.048 -3.933 -5.913 1.00 0.00 O ATOM 2007 CB PHE A 127 -1.568 -1.093 -5.879 1.00 0.00 C ATOM 2008 CG PHE A 127 -0.864 0.158 -6.406 1.00 0.00 C ATOM 2009 CD1 PHE A 127 -1.253 0.712 -7.586 1.00 0.00 C ATOM 2010 CD2 PHE A 127 0.153 0.716 -5.696 1.00 0.00 C ATOM 2011 CE1 PHE A 127 -0.599 1.874 -8.075 1.00 0.00 C ATOM 2012 CE2 PHE A 127 0.807 1.878 -6.185 1.00 0.00 C ATOM 2013 CZ PHE A 127 0.417 2.432 -7.364 1.00 0.00 C ATOM 0 H PHE A 127 -4.132 -1.514 -6.146 1.00 0.00 H new ATOM 0 HA PHE A 127 -1.770 -1.803 -7.937 1.00 0.00 H new ATOM 0 HB2 PHE A 127 -2.315 -0.794 -5.143 1.00 0.00 H new ATOM 0 HB3 PHE A 127 -0.840 -1.715 -5.359 1.00 0.00 H new ATOM 0 HD1 PHE A 127 -2.059 0.268 -8.151 1.00 0.00 H new ATOM 0 HD2 PHE A 127 0.463 0.275 -4.760 1.00 0.00 H new ATOM 0 HE1 PHE A 127 -0.909 2.314 -9.011 1.00 0.00 H new ATOM 0 HE2 PHE A 127 1.614 2.322 -5.621 1.00 0.00 H new ATOM 0 HZ PHE A 127 0.914 3.316 -7.736 1.00 0.00 H new ATOM 2023 N LEU A 128 -1.084 -4.038 -7.030 1.00 0.00 N ATOM 2024 CA LEU A 128 -0.869 -5.446 -6.744 1.00 0.00 C ATOM 2025 C LEU A 128 0.535 -5.637 -6.168 1.00 0.00 C ATOM 2026 O LEU A 128 1.526 -5.295 -6.813 1.00 0.00 O ATOM 2027 CB LEU A 128 -1.144 -6.293 -7.988 1.00 0.00 C ATOM 2028 CG LEU A 128 -1.815 -7.647 -7.744 1.00 0.00 C ATOM 2029 CD1 LEU A 128 -3.246 -7.465 -7.235 1.00 0.00 C ATOM 2030 CD2 LEU A 128 -1.759 -8.521 -8.998 1.00 0.00 C ATOM 0 H LEU A 128 -0.351 -3.599 -7.587 1.00 0.00 H new ATOM 0 HA LEU A 128 -1.573 -5.793 -5.988 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -1.773 -5.715 -8.665 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -0.198 -6.466 -8.502 1.00 0.00 H new ATOM 0 HG LEU A 128 -1.260 -8.168 -6.964 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -3.700 -8.442 -7.070 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -3.231 -6.908 -6.298 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -3.828 -6.915 -7.974 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -2.243 -9.477 -8.797 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -2.275 -8.018 -9.816 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -0.719 -8.692 -9.276 1.00 0.00 H new ATOM 2042 N PRO A 129 0.578 -6.196 -4.930 1.00 0.00 N ATOM 2043 CA PRO A 129 1.844 -6.437 -4.260 1.00 0.00 C ATOM 2044 C PRO A 129 2.566 -7.642 -4.866 1.00 0.00 C ATOM 2045 O PRO A 129 2.065 -8.764 -4.808 1.00 0.00 O ATOM 2046 CB PRO A 129 1.484 -6.635 -2.796 1.00 0.00 C ATOM 2047 CG PRO A 129 -0.001 -6.960 -2.773 1.00 0.00 C ATOM 2048 CD PRO A 129 -0.575 -6.614 -4.137 1.00 0.00 C ATOM 0 HA PRO A 129 2.544 -5.610 -4.376 1.00 0.00 H new ATOM 0 HB2 PRO A 129 2.068 -7.444 -2.356 1.00 0.00 H new ATOM 0 HB3 PRO A 129 1.696 -5.737 -2.216 1.00 0.00 H new ATOM 0 HG2 PRO A 129 -0.157 -8.015 -2.550 1.00 0.00 H new ATOM 0 HG3 PRO A 129 -0.504 -6.391 -1.991 1.00 0.00 H new ATOM 0 HD2 PRO A 129 -1.074 -7.473 -4.586 1.00 0.00 H new ATOM 0 HD3 PRO A 129 -1.315 -5.817 -4.064 1.00 0.00 H new ATOM 2056 N LEU A 130 3.731 -7.369 -5.435 1.00 0.00 N ATOM 2057 CA LEU A 130 4.526 -8.417 -6.052 1.00 0.00 C ATOM 2058 C LEU A 130 5.586 -8.898 -5.059 1.00 0.00 C ATOM 2059 O LEU A 130 6.162 -8.098 -4.323 1.00 0.00 O ATOM 2060 CB LEU A 130 5.105 -7.937 -7.384 1.00 0.00 C ATOM 2061 CG LEU A 130 4.122 -7.861 -8.554 1.00 0.00 C ATOM 2062 CD1 LEU A 130 3.650 -9.257 -8.965 1.00 0.00 C ATOM 2063 CD2 LEU A 130 2.950 -6.933 -8.226 1.00 0.00 C ATOM 0 H LEU A 130 4.143 -6.437 -5.482 1.00 0.00 H new ATOM 0 HA LEU A 130 3.901 -9.277 -6.294 1.00 0.00 H new ATOM 0 HB2 LEU A 130 5.538 -6.948 -7.234 1.00 0.00 H new ATOM 0 HB3 LEU A 130 5.921 -8.603 -7.664 1.00 0.00 H new ATOM 0 HG LEU A 130 4.643 -7.432 -9.410 1.00 0.00 H new ATOM 0 HD11 LEU A 130 2.952 -9.174 -9.798 1.00 0.00 H new ATOM 0 HD12 LEU A 130 4.508 -9.857 -9.268 1.00 0.00 H new ATOM 0 HD13 LEU A 130 3.153 -9.736 -8.122 1.00 0.00 H new ATOM 0 HD21 LEU A 130 2.266 -6.897 -9.074 1.00 0.00 H new ATOM 0 HD22 LEU A 130 2.422 -7.310 -7.350 1.00 0.00 H new ATOM 0 HD23 LEU A 130 3.326 -5.931 -8.020 1.00 0.00 H new ATOM 2075 N PRO A 131 5.818 -10.238 -5.070 1.00 0.00 N ATOM 2076 CA PRO A 131 6.798 -10.836 -4.180 1.00 0.00 C ATOM 2077 C PRO A 131 8.222 -10.550 -4.661 1.00 0.00 C ATOM 2078 O PRO A 131 8.558 -10.824 -5.813 1.00 0.00 O ATOM 2079 CB PRO A 131 6.463 -12.318 -4.163 1.00 0.00 C ATOM 2080 CG PRO A 131 5.609 -12.566 -5.395 1.00 0.00 C ATOM 2081 CD PRO A 131 5.155 -11.217 -5.927 1.00 0.00 C ATOM 0 HA PRO A 131 6.759 -10.422 -3.173 1.00 0.00 H new ATOM 0 HB2 PRO A 131 7.369 -12.924 -4.187 1.00 0.00 H new ATOM 0 HB3 PRO A 131 5.925 -12.586 -3.254 1.00 0.00 H new ATOM 0 HG2 PRO A 131 6.179 -13.103 -6.153 1.00 0.00 H new ATOM 0 HG3 PRO A 131 4.749 -13.187 -5.144 1.00 0.00 H new ATOM 0 HD2 PRO A 131 5.440 -11.087 -6.971 1.00 0.00 H new ATOM 0 HD3 PRO A 131 4.071 -11.116 -5.878 1.00 0.00 H new ATOM 2089 N VAL A 132 9.021 -10.004 -3.756 1.00 0.00 N ATOM 2090 CA VAL A 132 10.401 -9.679 -4.075 1.00 0.00 C ATOM 2091 C VAL A 132 11.306 -10.143 -2.932 1.00 0.00 C ATOM 2092 O VAL A 132 10.884 -10.182 -1.777 1.00 0.00 O ATOM 2093 CB VAL A 132 10.531 -8.183 -4.370 1.00 0.00 C ATOM 2094 CG1 VAL A 132 10.775 -7.389 -3.085 1.00 0.00 C ATOM 2095 CG2 VAL A 132 11.636 -7.921 -5.395 1.00 0.00 C ATOM 0 H VAL A 132 8.739 -9.778 -2.802 1.00 0.00 H new ATOM 0 HA VAL A 132 10.719 -10.204 -4.976 1.00 0.00 H new ATOM 0 HB VAL A 132 9.588 -7.843 -4.799 1.00 0.00 H new ATOM 0 HG11 VAL A 132 10.864 -6.329 -3.323 1.00 0.00 H new ATOM 0 HG12 VAL A 132 9.940 -7.538 -2.401 1.00 0.00 H new ATOM 0 HG13 VAL A 132 11.696 -7.733 -2.614 1.00 0.00 H new ATOM 0 HG21 VAL A 132 11.708 -6.850 -5.587 1.00 0.00 H new ATOM 0 HG22 VAL A 132 12.587 -8.284 -5.006 1.00 0.00 H new ATOM 0 HG23 VAL A 132 11.402 -8.441 -6.324 1.00 0.00 H new