USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 817 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 29 HIS :FLIP no HD1:sc= -0.144 F(o=-1.8!,f=1.3) USER MOD Set 1.2: A 30 ASN :FLIP amide:sc= 0.597 F(o=0.14,f=1.3) USER MOD Set 1.3: A 32 THR OG1 : rot 180:sc= 0.133 USER MOD Set 1.4: A 33 THR OG1 : rot -18:sc= 0.695 USER MOD Set 2.1: A 23 TYR OH : rot 164:sc= 1.29 USER MOD Set 2.2: A 46 HIS : no HD1:sc= -2.75! C(o=-1.5!,f=-8.8!) USER MOD Single : A 16 CYS SG : rot 163:sc= 0.843 USER MOD Single : A 17 GLN : amide:sc= 1.17 K(o=1.2,f=-0.76) USER MOD Single : A 18 MET CE :methyl 174:sc= 0 (180deg=-0.0222) USER MOD Single : A 19 LYS NZ :NH3+ -116:sc= 0.762 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -66:sc= 0.883 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 34 SER OG : rot -91:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -1.86 X(o=-1.9,f=-1.9!) USER MOD Single : A 47 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00926) USER MOD Single : A 48 HIS :FLIP no HE2:sc= -6.13! C(o=-10!,f=-6.1!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.163 X(o=-0.16,f=-0.0078) USER MOD Single : A 64 HIS : no HE2:sc= -0.0416 K(o=-0.042,f=-2.2) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= 0.058 K(o=0.058,f=-1) USER MOD Single : A 68 GLN : amide:sc= -0.0329 K(o=-0.033,f=-0.66) USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 ASN :FLIP amide:sc= -1.77 F(o=-2.5!,f=-1.8) USER MOD Single : A 76 LYS NZ :NH3+ -161:sc= -0.0265 (180deg=-0.248) USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 155:sc= 0 (180deg=-0.539) USER MOD Single : A 90 ASN : amide:sc= -1.41! C(o=-1.4!,f=-6.4!) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot 83:sc= 0.128 USER MOD Single : A 102 TYR OH : rot -113:sc= 0.587 USER MOD Single : A 105 THR OG1 : rot -46:sc= 1.21 USER MOD Single : A 106 TYR OH : rot 180:sc= -0.119 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 HIS : no HD1:sc= -0.35 X(o=-0.35,f=0.077) USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 98 N ASP A 10 13.080 7.151 -1.276 1.00 0.00 N ATOM 99 CA ASP A 10 12.704 7.494 -2.643 1.00 0.00 C ATOM 100 C ASP A 10 12.345 6.243 -3.438 1.00 0.00 C ATOM 101 O ASP A 10 11.328 6.207 -4.131 1.00 0.00 O ATOM 102 CB ASP A 10 13.843 8.243 -3.335 1.00 0.00 C ATOM 103 CG ASP A 10 14.564 9.194 -2.399 1.00 0.00 C ATOM 104 OD1 ASP A 10 13.883 9.868 -1.598 1.00 0.00 O ATOM 105 OD2 ASP A 10 15.809 9.265 -2.469 1.00 0.00 O ATOM 0 HA ASP A 10 11.827 8.140 -2.601 1.00 0.00 H new ATOM 0 HB2 ASP A 10 14.556 7.523 -3.737 1.00 0.00 H new ATOM 0 HB3 ASP A 10 13.444 8.803 -4.181 1.00 0.00 H new ATOM 110 N ALA A 11 13.187 5.220 -3.334 1.00 0.00 N ATOM 111 CA ALA A 11 12.957 3.967 -4.043 1.00 0.00 C ATOM 112 C ALA A 11 11.524 3.482 -3.852 1.00 0.00 C ATOM 113 O ALA A 11 10.888 3.005 -4.792 1.00 0.00 O ATOM 114 CB ALA A 11 13.942 2.906 -3.573 1.00 0.00 C ATOM 0 H ALA A 11 14.034 5.234 -2.766 1.00 0.00 H new ATOM 0 HA ALA A 11 13.113 4.147 -5.107 1.00 0.00 H new ATOM 0 HB1 ALA A 11 13.759 1.976 -4.111 1.00 0.00 H new ATOM 0 HB2 ALA A 11 14.960 3.243 -3.768 1.00 0.00 H new ATOM 0 HB3 ALA A 11 13.813 2.738 -2.504 1.00 0.00 H new ATOM 120 N LEU A 12 11.021 3.608 -2.629 1.00 0.00 N ATOM 121 CA LEU A 12 9.661 3.182 -2.314 1.00 0.00 C ATOM 122 C LEU A 12 8.636 4.073 -3.009 1.00 0.00 C ATOM 123 O LEU A 12 7.866 3.610 -3.852 1.00 0.00 O ATOM 124 CB LEU A 12 9.434 3.210 -0.801 1.00 0.00 C ATOM 125 CG LEU A 12 8.137 2.570 -0.305 1.00 0.00 C ATOM 126 CD1 LEU A 12 8.135 1.077 -0.592 1.00 0.00 C ATOM 127 CD2 LEU A 12 7.949 2.829 1.183 1.00 0.00 C ATOM 0 H LEU A 12 11.533 4.001 -1.840 1.00 0.00 H new ATOM 0 HA LEU A 12 9.534 2.162 -2.676 1.00 0.00 H new ATOM 0 HB2 LEU A 12 10.272 2.706 -0.319 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.453 4.248 -0.470 1.00 0.00 H new ATOM 0 HG LEU A 12 7.303 3.023 -0.841 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.204 0.639 -0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 12 8.222 0.913 -1.666 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.977 0.608 -0.084 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.021 2.366 1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.787 2.403 1.735 1.00 0.00 H new ATOM 0 HD23 LEU A 12 7.904 3.903 1.363 1.00 0.00 H new ATOM 139 N LEU A 13 8.634 5.353 -2.654 1.00 0.00 N ATOM 140 CA LEU A 13 7.706 6.309 -3.246 1.00 0.00 C ATOM 141 C LEU A 13 7.528 6.045 -4.738 1.00 0.00 C ATOM 142 O LEU A 13 6.412 6.077 -5.257 1.00 0.00 O ATOM 143 CB LEU A 13 8.205 7.738 -3.025 1.00 0.00 C ATOM 144 CG LEU A 13 7.328 8.852 -3.597 1.00 0.00 C ATOM 145 CD1 LEU A 13 6.016 8.944 -2.832 1.00 0.00 C ATOM 146 CD2 LEU A 13 8.064 10.184 -3.560 1.00 0.00 C ATOM 0 H LEU A 13 9.265 5.753 -1.959 1.00 0.00 H new ATOM 0 HA LEU A 13 6.739 6.189 -2.757 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.312 7.902 -1.953 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.200 7.826 -3.462 1.00 0.00 H new ATOM 0 HG LEU A 13 7.103 8.613 -4.637 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.405 9.742 -3.253 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.482 7.997 -2.911 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.221 9.158 -1.783 1.00 0.00 H new ATOM 0 HD21 LEU A 13 7.424 10.965 -3.971 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.320 10.430 -2.529 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.976 10.112 -4.153 1.00 0.00 H new ATOM 158 N LEU A 14 8.636 5.782 -5.421 1.00 0.00 N ATOM 159 CA LEU A 14 8.605 5.510 -6.855 1.00 0.00 C ATOM 160 C LEU A 14 7.824 4.232 -7.148 1.00 0.00 C ATOM 161 O LEU A 14 7.007 4.190 -8.068 1.00 0.00 O ATOM 162 CB LEU A 14 10.027 5.390 -7.403 1.00 0.00 C ATOM 163 CG LEU A 14 10.154 4.841 -8.825 1.00 0.00 C ATOM 164 CD1 LEU A 14 9.454 5.757 -9.816 1.00 0.00 C ATOM 165 CD2 LEU A 14 11.619 4.666 -9.199 1.00 0.00 C ATOM 0 H LEU A 14 9.567 5.751 -5.006 1.00 0.00 H new ATOM 0 HA LEU A 14 8.103 6.343 -7.348 1.00 0.00 H new ATOM 0 HB2 LEU A 14 10.491 6.376 -7.373 1.00 0.00 H new ATOM 0 HB3 LEU A 14 10.600 4.747 -6.734 1.00 0.00 H new ATOM 0 HG LEU A 14 9.671 3.865 -8.862 1.00 0.00 H new ATOM 0 HD11 LEU A 14 9.555 5.350 -10.822 1.00 0.00 H new ATOM 0 HD12 LEU A 14 8.397 5.831 -9.559 1.00 0.00 H new ATOM 0 HD13 LEU A 14 9.907 6.748 -9.778 1.00 0.00 H new ATOM 0 HD21 LEU A 14 11.691 4.275 -10.214 1.00 0.00 H new ATOM 0 HD22 LEU A 14 12.126 5.629 -9.145 1.00 0.00 H new ATOM 0 HD23 LEU A 14 12.090 3.968 -8.507 1.00 0.00 H new ATOM 177 N TRP A 15 8.082 3.195 -6.361 1.00 0.00 N ATOM 178 CA TRP A 15 7.402 1.916 -6.534 1.00 0.00 C ATOM 179 C TRP A 15 5.890 2.104 -6.576 1.00 0.00 C ATOM 180 O TRP A 15 5.248 1.826 -7.591 1.00 0.00 O ATOM 181 CB TRP A 15 7.778 0.956 -5.404 1.00 0.00 C ATOM 182 CG TRP A 15 7.333 -0.454 -5.649 1.00 0.00 C ATOM 183 CD1 TRP A 15 7.810 -1.309 -6.601 1.00 0.00 C ATOM 184 CD2 TRP A 15 6.323 -1.171 -4.931 1.00 0.00 C ATOM 185 NE1 TRP A 15 7.155 -2.515 -6.518 1.00 0.00 N ATOM 186 CE2 TRP A 15 6.240 -2.456 -5.501 1.00 0.00 C ATOM 187 CE3 TRP A 15 5.482 -0.853 -3.861 1.00 0.00 C ATOM 188 CZ2 TRP A 15 5.348 -3.419 -5.037 1.00 0.00 C ATOM 189 CZ3 TRP A 15 4.599 -1.810 -3.401 1.00 0.00 C ATOM 190 CH2 TRP A 15 4.537 -3.081 -3.988 1.00 0.00 C ATOM 0 H TRP A 15 8.757 3.214 -5.597 1.00 0.00 H new ATOM 0 HA TRP A 15 7.723 1.489 -7.484 1.00 0.00 H new ATOM 0 HB2 TRP A 15 8.860 0.970 -5.270 1.00 0.00 H new ATOM 0 HB3 TRP A 15 7.337 1.312 -4.473 1.00 0.00 H new ATOM 0 HD1 TRP A 15 8.587 -1.073 -7.313 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.323 -3.323 -7.117 1.00 0.00 H new ATOM 0 HE3 TRP A 15 5.522 0.124 -3.402 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 5.298 -4.399 -5.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 3.945 -1.575 -2.574 1.00 0.00 H new ATOM 0 HH2 TRP A 15 3.836 -3.808 -3.605 1.00 0.00 H new ATOM 201 N CYS A 16 5.326 2.578 -5.471 1.00 0.00 N ATOM 202 CA CYS A 16 3.888 2.803 -5.383 1.00 0.00 C ATOM 203 C CYS A 16 3.390 3.617 -6.573 1.00 0.00 C ATOM 204 O CYS A 16 2.378 3.281 -7.187 1.00 0.00 O ATOM 205 CB CYS A 16 3.543 3.522 -4.077 1.00 0.00 C ATOM 206 SG CYS A 16 1.882 3.167 -3.457 1.00 0.00 S ATOM 0 H CYS A 16 5.842 2.814 -4.624 1.00 0.00 H new ATOM 0 HA CYS A 16 3.392 1.833 -5.398 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.271 3.241 -3.316 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.640 4.597 -4.230 1.00 0.00 H new ATOM 0 HG CYS A 16 1.801 3.517 -2.208 1.00 0.00 H new ATOM 212 N GLN A 17 4.108 4.690 -6.890 1.00 0.00 N ATOM 213 CA GLN A 17 3.738 5.553 -8.005 1.00 0.00 C ATOM 214 C GLN A 17 3.634 4.756 -9.301 1.00 0.00 C ATOM 215 O GLN A 17 2.732 4.978 -10.108 1.00 0.00 O ATOM 216 CB GLN A 17 4.759 6.680 -8.167 1.00 0.00 C ATOM 217 CG GLN A 17 4.498 7.873 -7.261 1.00 0.00 C ATOM 218 CD GLN A 17 5.423 9.039 -7.550 1.00 0.00 C ATOM 219 OE1 GLN A 17 6.443 8.885 -8.223 1.00 0.00 O ATOM 220 NE2 GLN A 17 5.070 10.215 -7.044 1.00 0.00 N ATOM 0 H GLN A 17 4.948 4.982 -6.391 1.00 0.00 H new ATOM 0 HA GLN A 17 2.762 5.985 -7.787 1.00 0.00 H new ATOM 0 HB2 GLN A 17 5.755 6.289 -7.961 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.757 7.015 -9.204 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.464 8.196 -7.381 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.618 7.568 -6.221 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.216 10.297 -6.492 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.653 11.036 -7.207 1.00 0.00 H new ATOM 229 N MET A 18 4.563 3.825 -9.493 1.00 0.00 N ATOM 230 CA MET A 18 4.575 2.993 -10.691 1.00 0.00 C ATOM 231 C MET A 18 3.293 2.175 -10.798 1.00 0.00 C ATOM 232 O MET A 18 2.669 2.115 -11.857 1.00 0.00 O ATOM 233 CB MET A 18 5.789 2.062 -10.679 1.00 0.00 C ATOM 234 CG MET A 18 7.101 2.769 -10.976 1.00 0.00 C ATOM 235 SD MET A 18 8.307 1.689 -11.769 1.00 0.00 S ATOM 236 CE MET A 18 9.104 0.963 -10.339 1.00 0.00 C ATOM 0 H MET A 18 5.317 3.628 -8.835 1.00 0.00 H new ATOM 0 HA MET A 18 4.639 3.650 -11.559 1.00 0.00 H new ATOM 0 HB2 MET A 18 5.858 1.581 -9.703 1.00 0.00 H new ATOM 0 HB3 MET A 18 5.637 1.272 -11.414 1.00 0.00 H new ATOM 0 HG2 MET A 18 6.909 3.627 -11.620 1.00 0.00 H new ATOM 0 HG3 MET A 18 7.520 3.155 -10.047 1.00 0.00 H new ATOM 0 HE1 MET A 18 9.803 0.192 -10.664 1.00 0.00 H new ATOM 0 HE2 MET A 18 9.645 1.736 -9.792 1.00 0.00 H new ATOM 0 HE3 MET A 18 8.350 0.519 -9.689 1.00 0.00 H new ATOM 246 N LYS A 19 2.903 1.546 -9.694 1.00 0.00 N ATOM 247 CA LYS A 19 1.695 0.732 -9.662 1.00 0.00 C ATOM 248 C LYS A 19 0.447 1.609 -9.703 1.00 0.00 C ATOM 249 O LYS A 19 -0.363 1.512 -10.626 1.00 0.00 O ATOM 250 CB LYS A 19 1.675 -0.141 -8.405 1.00 0.00 C ATOM 251 CG LYS A 19 2.986 -0.865 -8.148 1.00 0.00 C ATOM 252 CD LYS A 19 3.362 -1.767 -9.312 1.00 0.00 C ATOM 253 CE LYS A 19 4.597 -2.598 -8.996 1.00 0.00 C ATOM 254 NZ LYS A 19 5.854 -1.875 -9.335 1.00 0.00 N ATOM 0 H LYS A 19 3.408 1.585 -8.808 1.00 0.00 H new ATOM 0 HA LYS A 19 1.697 0.090 -10.543 1.00 0.00 H new ATOM 0 HB2 LYS A 19 1.439 0.483 -7.543 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.875 -0.876 -8.496 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.779 -0.136 -7.981 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.902 -1.459 -7.238 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.527 -2.428 -9.546 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.547 -1.161 -10.199 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.600 -2.855 -7.937 1.00 0.00 H new ATOM 0 HE3 LYS A 19 4.556 -3.535 -9.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.355 -2.385 -10.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.625 -0.914 -9.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 6.461 -1.821 -8.492 1.00 0.00 H new ATOM 268 N THR A 20 0.298 2.466 -8.698 1.00 0.00 N ATOM 269 CA THR A 20 -0.850 3.361 -8.619 1.00 0.00 C ATOM 270 C THR A 20 -1.038 4.130 -9.922 1.00 0.00 C ATOM 271 O THR A 20 -2.164 4.395 -10.341 1.00 0.00 O ATOM 272 CB THR A 20 -0.703 4.364 -7.460 1.00 0.00 C ATOM 273 OG1 THR A 20 0.495 5.131 -7.625 1.00 0.00 O ATOM 274 CG2 THR A 20 -0.668 3.643 -6.122 1.00 0.00 C ATOM 0 H THR A 20 0.959 2.559 -7.927 1.00 0.00 H new ATOM 0 HA THR A 20 -1.725 2.737 -8.439 1.00 0.00 H new ATOM 0 HB THR A 20 -1.566 5.030 -7.474 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.274 4.544 -7.533 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.564 4.372 -5.318 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.593 3.083 -5.986 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.178 2.956 -6.101 1.00 0.00 H new ATOM 282 N ALA A 21 0.074 4.485 -10.558 1.00 0.00 N ATOM 283 CA ALA A 21 0.031 5.223 -11.816 1.00 0.00 C ATOM 284 C ALA A 21 -1.160 4.791 -12.665 1.00 0.00 C ATOM 285 O ALA A 21 -1.938 5.623 -13.129 1.00 0.00 O ATOM 286 CB ALA A 21 1.328 5.028 -12.586 1.00 0.00 C ATOM 0 H ALA A 21 1.014 4.274 -10.224 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.086 6.282 -11.584 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.282 5.584 -13.522 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.164 5.392 -11.989 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.468 3.968 -12.800 1.00 0.00 H new ATOM 292 N GLY A 22 -1.295 3.484 -12.865 1.00 0.00 N ATOM 293 CA GLY A 22 -2.395 2.965 -13.659 1.00 0.00 C ATOM 294 C GLY A 22 -3.672 3.758 -13.469 1.00 0.00 C ATOM 295 O GLY A 22 -4.353 4.094 -14.438 1.00 0.00 O ATOM 0 H GLY A 22 -0.663 2.775 -12.492 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.116 2.978 -14.713 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.574 1.924 -13.390 1.00 0.00 H new ATOM 299 N TYR A 23 -4.001 4.056 -12.217 1.00 0.00 N ATOM 300 CA TYR A 23 -5.208 4.810 -11.903 1.00 0.00 C ATOM 301 C TYR A 23 -4.928 6.310 -11.901 1.00 0.00 C ATOM 302 O TYR A 23 -3.993 6.793 -11.260 1.00 0.00 O ATOM 303 CB TYR A 23 -5.762 4.382 -10.544 1.00 0.00 C ATOM 304 CG TYR A 23 -5.736 2.886 -10.322 1.00 0.00 C ATOM 305 CD1 TYR A 23 -4.568 2.243 -9.931 1.00 0.00 C ATOM 306 CD2 TYR A 23 -6.878 2.117 -10.504 1.00 0.00 C ATOM 307 CE1 TYR A 23 -4.539 0.877 -9.729 1.00 0.00 C ATOM 308 CE2 TYR A 23 -6.858 0.750 -10.303 1.00 0.00 C ATOM 309 CZ TYR A 23 -5.686 0.134 -9.916 1.00 0.00 C ATOM 310 OH TYR A 23 -5.662 -1.226 -9.714 1.00 0.00 O ATOM 0 H TYR A 23 -3.448 3.787 -11.403 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.949 4.598 -12.673 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -5.185 4.868 -9.757 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.789 4.737 -10.452 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -3.668 2.821 -9.783 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -7.797 2.595 -10.808 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -3.622 0.393 -9.426 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.755 0.167 -10.448 1.00 0.00 H new ATOM 0 HH TYR A 23 -6.579 -1.561 -9.634 1.00 0.00 H new ATOM 320 N PRO A 24 -5.758 7.067 -12.634 1.00 0.00 N ATOM 321 CA PRO A 24 -5.621 8.524 -12.733 1.00 0.00 C ATOM 322 C PRO A 24 -5.975 9.229 -11.428 1.00 0.00 C ATOM 323 O PRO A 24 -5.339 10.212 -11.052 1.00 0.00 O ATOM 324 CB PRO A 24 -6.620 8.899 -13.832 1.00 0.00 C ATOM 325 CG PRO A 24 -7.634 7.808 -13.810 1.00 0.00 C ATOM 326 CD PRO A 24 -6.892 6.560 -13.424 1.00 0.00 C ATOM 0 HA PRO A 24 -4.596 8.824 -12.949 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.078 9.869 -13.637 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.132 8.967 -14.804 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.427 8.027 -13.095 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.107 7.695 -14.786 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.518 5.885 -12.841 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -6.555 6.006 -14.300 1.00 0.00 H new ATOM 334 N ASN A 25 -6.993 8.719 -10.742 1.00 0.00 N ATOM 335 CA ASN A 25 -7.430 9.301 -9.478 1.00 0.00 C ATOM 336 C ASN A 25 -6.365 9.123 -8.401 1.00 0.00 C ATOM 337 O ASN A 25 -6.062 10.053 -7.653 1.00 0.00 O ATOM 338 CB ASN A 25 -8.742 8.659 -9.025 1.00 0.00 C ATOM 339 CG ASN A 25 -9.877 8.914 -9.998 1.00 0.00 C ATOM 340 OD1 ASN A 25 -10.286 8.020 -10.740 1.00 0.00 O ATOM 341 ND2 ASN A 25 -10.392 10.138 -9.999 1.00 0.00 N ATOM 0 H ASN A 25 -7.530 7.905 -11.040 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.590 10.368 -9.633 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.598 7.584 -8.913 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.014 9.048 -8.044 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.158 10.369 -10.632 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.022 10.848 -9.367 1.00 0.00 H new ATOM 348 N VAL A 26 -5.800 7.922 -8.326 1.00 0.00 N ATOM 349 CA VAL A 26 -4.768 7.623 -7.341 1.00 0.00 C ATOM 350 C VAL A 26 -3.470 8.352 -7.667 1.00 0.00 C ATOM 351 O VAL A 26 -2.912 8.193 -8.752 1.00 0.00 O ATOM 352 CB VAL A 26 -4.489 6.110 -7.263 1.00 0.00 C ATOM 353 CG1 VAL A 26 -3.442 5.815 -6.200 1.00 0.00 C ATOM 354 CG2 VAL A 26 -5.774 5.345 -6.984 1.00 0.00 C ATOM 0 H VAL A 26 -6.040 7.140 -8.936 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.141 7.966 -6.376 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.099 5.780 -8.226 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.258 4.741 -6.159 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.516 6.333 -6.448 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.801 6.159 -5.230 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.558 4.278 -6.932 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.196 5.676 -6.035 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.490 5.532 -7.784 1.00 0.00 H new ATOM 364 N ASN A 27 -2.993 9.152 -6.718 1.00 0.00 N ATOM 365 CA ASN A 27 -1.758 9.907 -6.904 1.00 0.00 C ATOM 366 C ASN A 27 -0.892 9.849 -5.650 1.00 0.00 C ATOM 367 O ASN A 27 -1.248 10.404 -4.610 1.00 0.00 O ATOM 368 CB ASN A 27 -2.074 11.362 -7.254 1.00 0.00 C ATOM 369 CG ASN A 27 -2.516 11.528 -8.695 1.00 0.00 C ATOM 370 OD1 ASN A 27 -1.799 11.151 -9.622 1.00 0.00 O ATOM 371 ND2 ASN A 27 -3.701 12.095 -8.888 1.00 0.00 N ATOM 0 H ASN A 27 -3.442 9.294 -5.813 1.00 0.00 H new ATOM 0 HA ASN A 27 -1.204 9.455 -7.727 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.858 11.730 -6.592 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -1.191 11.976 -7.075 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -4.052 12.234 -9.836 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -4.261 12.392 -8.089 1.00 0.00 H new ATOM 378 N VAL A 28 0.248 9.174 -5.756 1.00 0.00 N ATOM 379 CA VAL A 28 1.168 9.046 -4.631 1.00 0.00 C ATOM 380 C VAL A 28 2.205 10.163 -4.638 1.00 0.00 C ATOM 381 O VAL A 28 3.369 9.942 -4.970 1.00 0.00 O ATOM 382 CB VAL A 28 1.893 7.687 -4.652 1.00 0.00 C ATOM 383 CG1 VAL A 28 2.744 7.517 -3.402 1.00 0.00 C ATOM 384 CG2 VAL A 28 0.891 6.550 -4.782 1.00 0.00 C ATOM 0 H VAL A 28 0.557 8.707 -6.609 1.00 0.00 H new ATOM 0 HA VAL A 28 0.569 9.117 -3.723 1.00 0.00 H new ATOM 0 HB VAL A 28 2.553 7.660 -5.519 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.249 6.551 -3.434 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.487 8.313 -3.356 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.107 7.564 -2.519 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.421 5.598 -4.795 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.204 6.571 -3.936 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.328 6.665 -5.708 1.00 0.00 H new ATOM 394 N HIS A 29 1.773 11.365 -4.269 1.00 0.00 N ATOM 395 CA HIS A 29 2.665 12.520 -4.231 1.00 0.00 C ATOM 396 C HIS A 29 3.432 12.571 -2.913 1.00 0.00 C ATOM 397 O HIS A 29 4.385 13.335 -2.767 1.00 0.00 O ATOM 398 CB HIS A 29 1.871 13.811 -4.423 1.00 0.00 C ATOM 399 CG HIS A 29 0.467 13.734 -3.905 1.00 0.00 C ATOM 400 ND1 HIS A 29 -0.020 13.253 -2.736 1.00 0.00 N flip ATOM 401 CD2 HIS A 29 -0.624 14.184 -4.618 1.00 0.00 C flip ATOM 402 CE1 HIS A 29 -1.382 13.422 -2.764 1.00 0.00 C flip ATOM 403 NE2 HIS A 29 -1.721 13.984 -3.910 1.00 0.00 N flip ATOM 0 H HIS A 29 0.812 11.565 -3.992 1.00 0.00 H new ATOM 0 HA HIS A 29 3.383 12.420 -5.045 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.391 14.626 -3.919 1.00 0.00 H new ATOM 0 HB3 HIS A 29 1.845 14.057 -5.484 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -0.587 14.630 -5.601 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -2.066 13.141 -1.976 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -2.669 14.223 -4.199 1.00 0.00 H new ATOM 412 N ASN A 30 3.010 11.752 -1.955 1.00 0.00 N ATOM 413 CA ASN A 30 3.655 11.705 -0.649 1.00 0.00 C ATOM 414 C ASN A 30 3.128 10.535 0.177 1.00 0.00 C ATOM 415 O ASN A 30 2.234 9.809 -0.256 1.00 0.00 O ATOM 416 CB ASN A 30 3.428 13.018 0.103 1.00 0.00 C ATOM 417 CG ASN A 30 2.089 13.649 -0.228 1.00 0.00 C ATOM 418 OD1 ASN A 30 1.013 13.043 0.259 1.00 0.00 O flip ATOM 419 ND2 ASN A 30 2.024 14.670 -0.914 1.00 0.00 N flip ATOM 0 H ASN A 30 2.223 11.111 -2.059 1.00 0.00 H new ATOM 0 HA ASN A 30 4.724 11.564 -0.805 1.00 0.00 H new ATOM 0 HB2 ASN A 30 3.485 12.834 1.176 1.00 0.00 H new ATOM 0 HB3 ASN A 30 4.227 13.717 -0.143 1.00 0.00 H new ATOM 0 HD21 ASN A 30 2.878 15.102 -1.267 1.00 0.00 H new ATOM 0 HD22 ASN A 30 1.117 15.083 -1.129 1.00 0.00 H new ATOM 426 N PHE A 31 3.690 10.360 1.369 1.00 0.00 N ATOM 427 CA PHE A 31 3.278 9.278 2.256 1.00 0.00 C ATOM 428 C PHE A 31 2.401 9.806 3.387 1.00 0.00 C ATOM 429 O PHE A 31 2.368 9.240 4.480 1.00 0.00 O ATOM 430 CB PHE A 31 4.504 8.569 2.834 1.00 0.00 C ATOM 431 CG PHE A 31 5.337 7.870 1.798 1.00 0.00 C ATOM 432 CD1 PHE A 31 4.829 6.789 1.097 1.00 0.00 C ATOM 433 CD2 PHE A 31 6.627 8.294 1.526 1.00 0.00 C ATOM 434 CE1 PHE A 31 5.594 6.143 0.144 1.00 0.00 C ATOM 435 CE2 PHE A 31 7.397 7.654 0.573 1.00 0.00 C ATOM 436 CZ PHE A 31 6.879 6.577 -0.120 1.00 0.00 C ATOM 0 H PHE A 31 4.431 10.953 1.743 1.00 0.00 H new ATOM 0 HA PHE A 31 2.696 8.565 1.672 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.124 9.299 3.355 1.00 0.00 H new ATOM 0 HB3 PHE A 31 4.176 7.841 3.577 1.00 0.00 H new ATOM 0 HD1 PHE A 31 3.824 6.447 1.297 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.037 9.135 2.065 1.00 0.00 H new ATOM 0 HE1 PHE A 31 5.187 5.299 -0.394 1.00 0.00 H new ATOM 0 HE2 PHE A 31 8.401 7.995 0.371 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.477 6.075 -0.866 1.00 0.00 H new ATOM 446 N THR A 32 1.692 10.898 3.118 1.00 0.00 N ATOM 447 CA THR A 32 0.816 11.505 4.112 1.00 0.00 C ATOM 448 C THR A 32 -0.616 11.599 3.598 1.00 0.00 C ATOM 449 O THR A 32 -1.503 10.881 4.063 1.00 0.00 O ATOM 450 CB THR A 32 1.301 12.913 4.503 1.00 0.00 C ATOM 451 OG1 THR A 32 1.492 13.710 3.329 1.00 0.00 O ATOM 452 CG2 THR A 32 2.604 12.837 5.287 1.00 0.00 C ATOM 0 H THR A 32 1.708 11.380 2.219 1.00 0.00 H new ATOM 0 HA THR A 32 0.843 10.862 4.992 1.00 0.00 H new ATOM 0 HB THR A 32 0.540 13.373 5.134 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.799 14.604 3.587 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.928 13.843 5.553 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.449 12.254 6.195 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.369 12.359 4.675 1.00 0.00 H new ATOM 460 N THR A 33 -0.838 12.489 2.636 1.00 0.00 N ATOM 461 CA THR A 33 -2.163 12.677 2.059 1.00 0.00 C ATOM 462 C THR A 33 -2.380 11.754 0.865 1.00 0.00 C ATOM 463 O THR A 33 -3.092 12.100 -0.077 1.00 0.00 O ATOM 464 CB THR A 33 -2.380 14.135 1.613 1.00 0.00 C ATOM 465 OG1 THR A 33 -1.470 14.465 0.556 1.00 0.00 O ATOM 466 CG2 THR A 33 -2.182 15.093 2.777 1.00 0.00 C ATOM 0 H THR A 33 -0.116 13.091 2.240 1.00 0.00 H new ATOM 0 HA THR A 33 -2.884 12.432 2.839 1.00 0.00 H new ATOM 0 HB THR A 33 -3.404 14.233 1.254 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.738 13.814 0.540 1.00 0.00 H new ATOM 0 HG21 THR A 33 -2.341 16.116 2.437 1.00 0.00 H new ATOM 0 HG22 THR A 33 -2.896 14.858 3.567 1.00 0.00 H new ATOM 0 HG23 THR A 33 -1.168 14.992 3.163 1.00 0.00 H new ATOM 474 N SER A 34 -1.762 10.578 0.913 1.00 0.00 N ATOM 475 CA SER A 34 -1.885 9.606 -0.168 1.00 0.00 C ATOM 476 C SER A 34 -2.550 8.326 0.327 1.00 0.00 C ATOM 477 O SER A 34 -3.168 7.595 -0.448 1.00 0.00 O ATOM 478 CB SER A 34 -0.508 9.286 -0.754 1.00 0.00 C ATOM 479 OG SER A 34 -0.569 8.164 -1.617 1.00 0.00 O ATOM 0 H SER A 34 -1.172 10.275 1.688 1.00 0.00 H new ATOM 0 HA SER A 34 -2.510 10.042 -0.947 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.133 10.150 -1.302 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.198 9.090 0.053 1.00 0.00 H new ATOM 0 HG SER A 34 -0.387 7.348 -1.106 1.00 0.00 H new ATOM 485 N TRP A 35 -2.418 8.060 1.621 1.00 0.00 N ATOM 486 CA TRP A 35 -3.006 6.868 2.221 1.00 0.00 C ATOM 487 C TRP A 35 -4.020 7.242 3.296 1.00 0.00 C ATOM 488 O TRP A 35 -4.512 6.381 4.026 1.00 0.00 O ATOM 489 CB TRP A 35 -1.913 5.981 2.820 1.00 0.00 C ATOM 490 CG TRP A 35 -0.662 5.942 1.995 1.00 0.00 C ATOM 491 CD1 TRP A 35 0.223 6.964 1.800 1.00 0.00 C ATOM 492 CD2 TRP A 35 -0.159 4.826 1.254 1.00 0.00 C ATOM 493 NE1 TRP A 35 1.246 6.550 0.981 1.00 0.00 N ATOM 494 CE2 TRP A 35 1.036 5.242 0.634 1.00 0.00 C ATOM 495 CE3 TRP A 35 -0.600 3.514 1.054 1.00 0.00 C ATOM 496 CZ2 TRP A 35 1.791 4.392 -0.171 1.00 0.00 C ATOM 497 CZ3 TRP A 35 0.150 2.673 0.256 1.00 0.00 C ATOM 498 CH2 TRP A 35 1.336 3.114 -0.349 1.00 0.00 C ATOM 0 H TRP A 35 -1.909 8.654 2.275 1.00 0.00 H new ATOM 0 HA TRP A 35 -3.524 6.315 1.437 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -1.670 6.341 3.819 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.298 4.967 2.932 1.00 0.00 H new ATOM 0 HD1 TRP A 35 0.132 7.952 2.227 1.00 0.00 H new ATOM 0 HE1 TRP A 35 2.034 7.124 0.680 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.512 3.165 1.516 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 2.704 4.730 -0.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.182 1.658 0.095 1.00 0.00 H new ATOM 0 HH2 TRP A 35 1.901 2.432 -0.967 1.00 0.00 H new ATOM 509 N ARG A 36 -4.328 8.532 3.389 1.00 0.00 N ATOM 510 CA ARG A 36 -5.284 9.019 4.376 1.00 0.00 C ATOM 511 C ARG A 36 -6.676 8.452 4.113 1.00 0.00 C ATOM 512 O ARG A 36 -7.372 8.034 5.039 1.00 0.00 O ATOM 513 CB ARG A 36 -5.333 10.548 4.359 1.00 0.00 C ATOM 514 CG ARG A 36 -6.476 11.131 5.173 1.00 0.00 C ATOM 515 CD ARG A 36 -7.729 11.303 4.329 1.00 0.00 C ATOM 516 NE ARG A 36 -7.714 12.553 3.576 1.00 0.00 N ATOM 517 CZ ARG A 36 -8.123 13.715 4.072 1.00 0.00 C ATOM 518 NH1 ARG A 36 -8.576 13.786 5.316 1.00 0.00 N ATOM 519 NH2 ARG A 36 -8.079 14.810 3.323 1.00 0.00 N ATOM 0 H ARG A 36 -3.930 9.258 2.793 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.954 8.683 5.359 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.390 10.937 4.742 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.422 10.889 3.327 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -6.692 10.478 6.019 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.177 12.096 5.583 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.819 10.465 3.638 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.607 11.279 4.975 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.370 12.533 2.616 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.611 12.947 5.895 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.889 14.680 5.694 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.731 14.759 2.366 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.393 15.702 3.705 1.00 0.00 H new ATOM 533 N ASP A 37 -7.074 8.442 2.846 1.00 0.00 N ATOM 534 CA ASP A 37 -8.382 7.926 2.460 1.00 0.00 C ATOM 535 C ASP A 37 -8.394 6.401 2.483 1.00 0.00 C ATOM 536 O ASP A 37 -9.206 5.786 3.172 1.00 0.00 O ATOM 537 CB ASP A 37 -8.763 8.431 1.068 1.00 0.00 C ATOM 538 CG ASP A 37 -10.195 8.093 0.700 1.00 0.00 C ATOM 539 OD1 ASP A 37 -10.488 6.896 0.499 1.00 0.00 O ATOM 540 OD2 ASP A 37 -11.021 9.025 0.613 1.00 0.00 O ATOM 0 H ASP A 37 -6.510 8.785 2.069 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.115 8.287 3.182 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -8.626 9.512 1.027 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -8.089 7.996 0.330 1.00 0.00 H new ATOM 545 N GLY A 38 -7.486 5.797 1.721 1.00 0.00 N ATOM 546 CA GLY A 38 -7.409 4.349 1.667 1.00 0.00 C ATOM 547 C GLY A 38 -7.153 3.833 0.265 1.00 0.00 C ATOM 548 O GLY A 38 -6.416 2.865 0.076 1.00 0.00 O ATOM 0 H GLY A 38 -6.803 6.285 1.141 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -6.613 4.006 2.328 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.340 3.925 2.042 1.00 0.00 H new ATOM 552 N LEU A 39 -7.764 4.481 -0.722 1.00 0.00 N ATOM 553 CA LEU A 39 -7.599 4.081 -2.116 1.00 0.00 C ATOM 554 C LEU A 39 -6.191 3.550 -2.368 1.00 0.00 C ATOM 555 O LEU A 39 -6.016 2.431 -2.847 1.00 0.00 O ATOM 556 CB LEU A 39 -7.884 5.265 -3.043 1.00 0.00 C ATOM 557 CG LEU A 39 -9.346 5.699 -3.146 1.00 0.00 C ATOM 558 CD1 LEU A 39 -9.465 6.982 -3.952 1.00 0.00 C ATOM 559 CD2 LEU A 39 -10.189 4.596 -3.769 1.00 0.00 C ATOM 0 H LEU A 39 -8.377 5.284 -0.583 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.311 3.283 -2.326 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.296 6.117 -2.702 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.530 5.012 -4.042 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.720 5.889 -2.140 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -10.513 7.276 -4.015 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.895 7.772 -3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.073 6.819 -4.956 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -11.227 4.924 -3.834 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -9.816 4.373 -4.769 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.130 3.700 -3.151 1.00 0.00 H new ATOM 571 N ALA A 40 -5.191 4.362 -2.039 1.00 0.00 N ATOM 572 CA ALA A 40 -3.799 3.971 -2.225 1.00 0.00 C ATOM 573 C ALA A 40 -3.596 2.493 -1.914 1.00 0.00 C ATOM 574 O ALA A 40 -3.146 1.725 -2.764 1.00 0.00 O ATOM 575 CB ALA A 40 -2.891 4.827 -1.354 1.00 0.00 C ATOM 0 H ALA A 40 -5.319 5.293 -1.643 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.539 4.132 -3.271 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.854 4.525 -1.502 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.006 5.876 -1.629 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.161 4.695 -0.306 1.00 0.00 H new ATOM 581 N PHE A 41 -3.931 2.100 -0.689 1.00 0.00 N ATOM 582 CA PHE A 41 -3.783 0.712 -0.265 1.00 0.00 C ATOM 583 C PHE A 41 -4.623 -0.215 -1.138 1.00 0.00 C ATOM 584 O PHE A 41 -4.172 -1.289 -1.533 1.00 0.00 O ATOM 585 CB PHE A 41 -4.191 0.560 1.202 1.00 0.00 C ATOM 586 CG PHE A 41 -3.213 1.170 2.164 1.00 0.00 C ATOM 587 CD1 PHE A 41 -1.933 0.656 2.291 1.00 0.00 C ATOM 588 CD2 PHE A 41 -3.573 2.259 2.941 1.00 0.00 C ATOM 589 CE1 PHE A 41 -1.030 1.216 3.174 1.00 0.00 C ATOM 590 CE2 PHE A 41 -2.674 2.824 3.826 1.00 0.00 C ATOM 591 CZ PHE A 41 -1.401 2.301 3.944 1.00 0.00 C ATOM 0 H PHE A 41 -4.306 2.722 0.027 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.735 0.433 -0.374 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -5.168 1.021 1.348 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -4.301 -0.500 1.432 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.637 -0.193 1.692 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.567 2.671 2.854 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.035 0.806 3.262 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.967 3.674 4.425 1.00 0.00 H new ATOM 0 HZ PHE A 41 -0.698 2.739 4.637 1.00 0.00 H new ATOM 601 N ASN A 42 -5.847 0.208 -1.434 1.00 0.00 N ATOM 602 CA ASN A 42 -6.752 -0.584 -2.259 1.00 0.00 C ATOM 603 C ASN A 42 -6.314 -0.563 -3.720 1.00 0.00 C ATOM 604 O ASN A 42 -6.973 -1.140 -4.584 1.00 0.00 O ATOM 605 CB ASN A 42 -8.182 -0.056 -2.136 1.00 0.00 C ATOM 606 CG ASN A 42 -8.679 -0.060 -0.703 1.00 0.00 C ATOM 607 OD1 ASN A 42 -8.995 -1.111 -0.146 1.00 0.00 O ATOM 608 ND2 ASN A 42 -8.749 1.121 -0.098 1.00 0.00 N ATOM 0 H ASN A 42 -6.236 1.095 -1.115 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.721 -1.614 -1.903 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.227 0.959 -2.530 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.845 -0.666 -2.749 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.075 1.181 0.867 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.477 1.967 -0.598 1.00 0.00 H new ATOM 615 N ALA A 43 -5.197 0.105 -3.989 1.00 0.00 N ATOM 616 CA ALA A 43 -4.669 0.200 -5.344 1.00 0.00 C ATOM 617 C ALA A 43 -3.537 -0.798 -5.563 1.00 0.00 C ATOM 618 O ALA A 43 -3.462 -1.448 -6.606 1.00 0.00 O ATOM 619 CB ALA A 43 -4.190 1.616 -5.627 1.00 0.00 C ATOM 0 H ALA A 43 -4.640 0.589 -3.285 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.473 -0.044 -6.038 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.798 1.671 -6.643 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.024 2.310 -5.521 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.404 1.882 -4.920 1.00 0.00 H new ATOM 625 N ILE A 44 -2.657 -0.913 -4.574 1.00 0.00 N ATOM 626 CA ILE A 44 -1.529 -1.832 -4.659 1.00 0.00 C ATOM 627 C ILE A 44 -2.003 -3.273 -4.817 1.00 0.00 C ATOM 628 O ILE A 44 -1.538 -3.997 -5.697 1.00 0.00 O ATOM 629 CB ILE A 44 -0.627 -1.734 -3.413 1.00 0.00 C ATOM 630 CG1 ILE A 44 -0.099 -0.307 -3.251 1.00 0.00 C ATOM 631 CG2 ILE A 44 0.524 -2.723 -3.514 1.00 0.00 C ATOM 632 CD1 ILE A 44 0.445 -0.018 -1.869 1.00 0.00 C ATOM 0 H ILE A 44 -2.704 -0.381 -3.705 1.00 0.00 H new ATOM 0 HA ILE A 44 -0.953 -1.543 -5.538 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.219 -1.984 -2.532 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.687 -0.133 -3.986 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.902 0.396 -3.471 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.152 -2.642 -2.627 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.128 -3.736 -3.587 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.118 -2.501 -4.401 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.802 1.011 -1.826 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.344 -0.159 -1.130 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.270 -0.697 -1.653 1.00 0.00 H new ATOM 644 N VAL A 45 -2.933 -3.681 -3.960 1.00 0.00 N ATOM 645 CA VAL A 45 -3.473 -5.034 -4.005 1.00 0.00 C ATOM 646 C VAL A 45 -4.242 -5.276 -5.300 1.00 0.00 C ATOM 647 O VAL A 45 -3.879 -6.140 -6.098 1.00 0.00 O ATOM 648 CB VAL A 45 -4.405 -5.308 -2.810 1.00 0.00 C ATOM 649 CG1 VAL A 45 -4.940 -6.730 -2.862 1.00 0.00 C ATOM 650 CG2 VAL A 45 -3.677 -5.052 -1.499 1.00 0.00 C ATOM 0 H VAL A 45 -3.328 -3.093 -3.226 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.623 -5.715 -3.957 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.253 -4.625 -2.870 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.596 -6.903 -2.009 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.500 -6.875 -3.786 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.108 -7.433 -2.828 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.350 -5.250 -0.665 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.810 -5.709 -1.430 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.349 -4.013 -1.462 1.00 0.00 H new ATOM 660 N HIS A 46 -5.305 -4.504 -5.503 1.00 0.00 N ATOM 661 CA HIS A 46 -6.125 -4.633 -6.702 1.00 0.00 C ATOM 662 C HIS A 46 -5.259 -4.918 -7.924 1.00 0.00 C ATOM 663 O HIS A 46 -5.596 -5.764 -8.755 1.00 0.00 O ATOM 664 CB HIS A 46 -6.941 -3.359 -6.927 1.00 0.00 C ATOM 665 CG HIS A 46 -7.974 -3.492 -8.003 1.00 0.00 C ATOM 666 ND1 HIS A 46 -7.875 -2.858 -9.224 1.00 0.00 N ATOM 667 CD2 HIS A 46 -9.132 -4.193 -8.038 1.00 0.00 C ATOM 668 CE1 HIS A 46 -8.928 -3.161 -9.962 1.00 0.00 C ATOM 669 NE2 HIS A 46 -9.705 -3.971 -9.266 1.00 0.00 N ATOM 0 H HIS A 46 -5.618 -3.783 -4.853 1.00 0.00 H new ATOM 0 HA HIS A 46 -6.806 -5.471 -6.558 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -7.433 -3.083 -5.994 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -6.264 -2.544 -7.183 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -9.531 -4.811 -7.247 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -9.121 -2.807 -10.964 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -10.588 -4.367 -9.588 1.00 0.00 H new ATOM 678 N LYS A 47 -4.141 -4.208 -8.031 1.00 0.00 N ATOM 679 CA LYS A 47 -3.225 -4.385 -9.151 1.00 0.00 C ATOM 680 C LYS A 47 -2.732 -5.826 -9.229 1.00 0.00 C ATOM 681 O LYS A 47 -2.741 -6.439 -10.298 1.00 0.00 O ATOM 682 CB LYS A 47 -2.034 -3.433 -9.017 1.00 0.00 C ATOM 683 CG LYS A 47 -1.083 -3.480 -10.200 1.00 0.00 C ATOM 684 CD LYS A 47 -1.541 -2.562 -11.321 1.00 0.00 C ATOM 685 CE LYS A 47 -0.425 -2.301 -12.320 1.00 0.00 C ATOM 686 NZ LYS A 47 0.015 -3.551 -13.000 1.00 0.00 N ATOM 0 H LYS A 47 -3.847 -3.504 -7.354 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.765 -4.155 -10.070 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.405 -2.415 -8.900 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.484 -3.678 -8.109 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.084 -3.190 -9.876 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.013 -4.502 -10.571 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.392 -3.009 -11.834 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.883 -1.616 -10.901 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.766 -1.583 -13.066 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.424 -1.849 -11.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.729 -3.321 -13.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.427 -4.201 -12.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.803 -4.005 -13.455 1.00 0.00 H new ATOM 700 N HIS A 48 -2.304 -6.363 -8.091 1.00 0.00 N ATOM 701 CA HIS A 48 -1.809 -7.734 -8.030 1.00 0.00 C ATOM 702 C HIS A 48 -2.960 -8.731 -8.123 1.00 0.00 C ATOM 703 O HIS A 48 -2.967 -9.607 -8.989 1.00 0.00 O ATOM 704 CB HIS A 48 -1.027 -7.959 -6.736 1.00 0.00 C ATOM 705 CG HIS A 48 -0.038 -6.875 -6.437 1.00 0.00 C ATOM 706 ND1 HIS A 48 0.169 -6.150 -5.312 1.00 0.00 N flip ATOM 707 CD2 HIS A 48 0.883 -6.422 -7.357 1.00 0.00 C flip ATOM 708 CE1 HIS A 48 1.201 -5.284 -5.570 1.00 0.00 C flip ATOM 709 NE2 HIS A 48 1.615 -5.467 -6.810 1.00 0.00 N flip ATOM 0 H HIS A 48 -2.290 -5.870 -7.198 1.00 0.00 H new ATOM 0 HA HIS A 48 -1.144 -7.893 -8.879 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.729 -8.038 -5.906 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -0.501 -8.912 -6.800 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -0.347 -6.233 -4.436 1.00 0.00 H new ATOM 0 HD2 HIS A 48 0.990 -6.790 -8.367 1.00 0.00 H new ATOM 0 HE1 HIS A 48 1.609 -4.568 -4.872 1.00 0.00 H new ATOM 718 N ARG A 49 -3.931 -8.593 -7.226 1.00 0.00 N ATOM 719 CA ARG A 49 -5.085 -9.483 -7.207 1.00 0.00 C ATOM 720 C ARG A 49 -6.382 -8.694 -7.361 1.00 0.00 C ATOM 721 O ARG A 49 -7.018 -8.299 -6.384 1.00 0.00 O ATOM 722 CB ARG A 49 -5.116 -10.285 -5.904 1.00 0.00 C ATOM 723 CG ARG A 49 -3.909 -11.190 -5.718 1.00 0.00 C ATOM 724 CD ARG A 49 -4.152 -12.569 -6.309 1.00 0.00 C ATOM 725 NE ARG A 49 -5.285 -13.243 -5.680 1.00 0.00 N ATOM 726 CZ ARG A 49 -5.439 -14.563 -5.665 1.00 0.00 C ATOM 727 NH1 ARG A 49 -4.538 -15.346 -6.242 1.00 0.00 N ATOM 728 NH2 ARG A 49 -6.497 -15.102 -5.073 1.00 0.00 N ATOM 0 H ARG A 49 -3.941 -7.873 -6.503 1.00 0.00 H new ATOM 0 HA ARG A 49 -4.996 -10.171 -8.048 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.175 -9.594 -5.063 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -6.021 -10.892 -5.882 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.037 -10.738 -6.192 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.682 -11.283 -4.656 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.334 -12.477 -7.380 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -3.256 -13.178 -6.189 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.997 -12.669 -5.228 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -3.724 -14.936 -6.699 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.659 -16.359 -6.229 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -7.193 -14.503 -4.629 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -6.614 -16.115 -5.062 1.00 0.00 H new ATOM 742 N PRO A 50 -6.786 -8.460 -8.619 1.00 0.00 N ATOM 743 CA PRO A 50 -8.010 -7.717 -8.932 1.00 0.00 C ATOM 744 C PRO A 50 -9.270 -8.495 -8.569 1.00 0.00 C ATOM 745 O PRO A 50 -10.386 -8.045 -8.827 1.00 0.00 O ATOM 746 CB PRO A 50 -7.925 -7.513 -10.446 1.00 0.00 C ATOM 747 CG PRO A 50 -7.069 -8.631 -10.930 1.00 0.00 C ATOM 748 CD PRO A 50 -6.078 -8.902 -9.832 1.00 0.00 C ATOM 0 HA PRO A 50 -8.078 -6.788 -8.366 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -8.913 -7.543 -10.906 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.488 -6.545 -10.691 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -7.668 -9.517 -11.142 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -6.561 -8.361 -11.856 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -5.813 -9.958 -9.781 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -5.151 -8.348 -9.981 1.00 0.00 H new ATOM 756 N ASP A 51 -9.084 -9.666 -7.969 1.00 0.00 N ATOM 757 CA ASP A 51 -10.205 -10.508 -7.569 1.00 0.00 C ATOM 758 C ASP A 51 -10.616 -10.218 -6.130 1.00 0.00 C ATOM 759 O ASP A 51 -11.802 -10.064 -5.830 1.00 0.00 O ATOM 760 CB ASP A 51 -9.841 -11.986 -7.721 1.00 0.00 C ATOM 761 CG ASP A 51 -10.148 -12.519 -9.106 1.00 0.00 C ATOM 762 OD1 ASP A 51 -11.308 -12.387 -9.550 1.00 0.00 O ATOM 763 OD2 ASP A 51 -9.228 -13.067 -9.749 1.00 0.00 O ATOM 0 H ASP A 51 -8.167 -10.054 -7.749 1.00 0.00 H new ATOM 0 HA ASP A 51 -11.048 -10.281 -8.221 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -8.780 -12.119 -7.511 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -10.388 -12.570 -6.981 1.00 0.00 H new ATOM 768 N LEU A 52 -9.631 -10.145 -5.242 1.00 0.00 N ATOM 769 CA LEU A 52 -9.889 -9.874 -3.832 1.00 0.00 C ATOM 770 C LEU A 52 -10.939 -8.779 -3.671 1.00 0.00 C ATOM 771 O LEU A 52 -12.041 -9.027 -3.179 1.00 0.00 O ATOM 772 CB LEU A 52 -8.597 -9.465 -3.125 1.00 0.00 C ATOM 773 CG LEU A 52 -7.435 -10.455 -3.223 1.00 0.00 C ATOM 774 CD1 LEU A 52 -6.224 -9.933 -2.466 1.00 0.00 C ATOM 775 CD2 LEU A 52 -7.851 -11.819 -2.692 1.00 0.00 C ATOM 0 H LEU A 52 -8.645 -10.270 -5.473 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.271 -10.788 -3.377 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -8.269 -8.509 -3.534 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -8.820 -9.300 -2.071 1.00 0.00 H new ATOM 0 HG LEU A 52 -7.162 -10.563 -4.273 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.407 -10.650 -2.547 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.912 -8.979 -2.891 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.483 -9.795 -1.416 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.012 -12.511 -2.769 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -8.151 -11.727 -1.648 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -8.689 -12.197 -3.278 1.00 0.00 H new ATOM 787 N LEU A 53 -10.592 -7.567 -4.092 1.00 0.00 N ATOM 788 CA LEU A 53 -11.504 -6.433 -3.996 1.00 0.00 C ATOM 789 C LEU A 53 -11.775 -5.837 -5.374 1.00 0.00 C ATOM 790 O LEU A 53 -11.053 -6.109 -6.333 1.00 0.00 O ATOM 791 CB LEU A 53 -10.926 -5.364 -3.070 1.00 0.00 C ATOM 792 CG LEU A 53 -9.665 -4.654 -3.567 1.00 0.00 C ATOM 793 CD1 LEU A 53 -9.453 -3.351 -2.812 1.00 0.00 C ATOM 794 CD2 LEU A 53 -8.452 -5.560 -3.423 1.00 0.00 C ATOM 0 H LEU A 53 -9.685 -7.345 -4.503 1.00 0.00 H new ATOM 0 HA LEU A 53 -12.447 -6.790 -3.582 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -11.695 -4.613 -2.891 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -10.703 -5.827 -2.109 1.00 0.00 H new ATOM 0 HG LEU A 53 -9.795 -4.420 -4.624 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -8.552 -2.860 -3.179 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -10.311 -2.697 -2.967 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -9.344 -3.561 -1.748 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -7.564 -5.039 -3.781 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.319 -5.825 -2.374 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -8.603 -6.466 -4.010 1.00 0.00 H new ATOM 806 N ASP A 54 -12.819 -5.019 -5.463 1.00 0.00 N ATOM 807 CA ASP A 54 -13.183 -4.381 -6.723 1.00 0.00 C ATOM 808 C ASP A 54 -12.956 -2.874 -6.654 1.00 0.00 C ATOM 809 O ASP A 54 -13.855 -2.116 -6.286 1.00 0.00 O ATOM 810 CB ASP A 54 -14.646 -4.673 -7.063 1.00 0.00 C ATOM 811 CG ASP A 54 -15.052 -6.088 -6.701 1.00 0.00 C ATOM 812 OD1 ASP A 54 -14.861 -6.994 -7.541 1.00 0.00 O ATOM 813 OD2 ASP A 54 -15.560 -6.291 -5.579 1.00 0.00 O ATOM 0 H ASP A 54 -13.427 -4.783 -4.679 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.546 -4.791 -7.507 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.287 -3.967 -6.534 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -14.807 -4.513 -8.129 1.00 0.00 H new ATOM 818 N PHE A 55 -11.749 -2.446 -7.007 1.00 0.00 N ATOM 819 CA PHE A 55 -11.403 -1.029 -6.983 1.00 0.00 C ATOM 820 C PHE A 55 -12.480 -0.195 -7.670 1.00 0.00 C ATOM 821 O PHE A 55 -12.839 0.884 -7.197 1.00 0.00 O ATOM 822 CB PHE A 55 -10.052 -0.801 -7.664 1.00 0.00 C ATOM 823 CG PHE A 55 -9.382 0.478 -7.252 1.00 0.00 C ATOM 824 CD1 PHE A 55 -8.981 0.675 -5.941 1.00 0.00 C ATOM 825 CD2 PHE A 55 -9.152 1.485 -8.177 1.00 0.00 C ATOM 826 CE1 PHE A 55 -8.364 1.851 -5.558 1.00 0.00 C ATOM 827 CE2 PHE A 55 -8.534 2.663 -7.800 1.00 0.00 C ATOM 828 CZ PHE A 55 -8.140 2.846 -6.489 1.00 0.00 C ATOM 0 H PHE A 55 -10.994 -3.059 -7.313 1.00 0.00 H new ATOM 0 HA PHE A 55 -11.334 -0.714 -5.942 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -9.392 -1.638 -7.434 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -10.195 -0.795 -8.745 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -9.153 -0.100 -5.209 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -9.459 1.348 -9.203 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -8.057 1.992 -4.532 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -8.360 3.439 -8.530 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.658 3.766 -6.192 1.00 0.00 H new ATOM 838 N GLU A 56 -12.990 -0.700 -8.788 1.00 0.00 N ATOM 839 CA GLU A 56 -14.024 -0.001 -9.541 1.00 0.00 C ATOM 840 C GLU A 56 -15.279 0.190 -8.694 1.00 0.00 C ATOM 841 O GLU A 56 -15.986 1.189 -8.829 1.00 0.00 O ATOM 842 CB GLU A 56 -14.370 -0.774 -10.815 1.00 0.00 C ATOM 843 CG GLU A 56 -13.381 -0.553 -11.948 1.00 0.00 C ATOM 844 CD GLU A 56 -13.287 -1.744 -12.880 1.00 0.00 C ATOM 845 OE1 GLU A 56 -13.543 -2.878 -12.422 1.00 0.00 O ATOM 846 OE2 GLU A 56 -12.957 -1.545 -14.068 1.00 0.00 O ATOM 0 H GLU A 56 -12.704 -1.591 -9.193 1.00 0.00 H new ATOM 0 HA GLU A 56 -13.637 0.981 -9.814 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -14.413 -1.838 -10.584 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -15.365 -0.480 -11.150 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -13.678 0.327 -12.518 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.396 -0.345 -11.530 1.00 0.00 H new ATOM 853 N SER A 57 -15.548 -0.774 -7.819 1.00 0.00 N ATOM 854 CA SER A 57 -16.719 -0.715 -6.952 1.00 0.00 C ATOM 855 C SER A 57 -16.534 0.336 -5.862 1.00 0.00 C ATOM 856 O SER A 57 -17.434 1.135 -5.595 1.00 0.00 O ATOM 857 CB SER A 57 -16.979 -2.083 -6.319 1.00 0.00 C ATOM 858 OG SER A 57 -18.223 -2.101 -5.638 1.00 0.00 O ATOM 0 H SER A 57 -14.971 -1.605 -7.692 1.00 0.00 H new ATOM 0 HA SER A 57 -17.579 -0.435 -7.560 1.00 0.00 H new ATOM 0 HB2 SER A 57 -16.972 -2.852 -7.091 1.00 0.00 H new ATOM 0 HB3 SER A 57 -16.176 -2.324 -5.623 1.00 0.00 H new ATOM 0 HG SER A 57 -18.367 -2.986 -5.243 1.00 0.00 H new ATOM 864 N LEU A 58 -15.364 0.330 -5.234 1.00 0.00 N ATOM 865 CA LEU A 58 -15.060 1.283 -4.172 1.00 0.00 C ATOM 866 C LEU A 58 -15.323 2.713 -4.632 1.00 0.00 C ATOM 867 O LEU A 58 -15.531 2.968 -5.819 1.00 0.00 O ATOM 868 CB LEU A 58 -13.602 1.137 -3.732 1.00 0.00 C ATOM 869 CG LEU A 58 -13.157 -0.271 -3.336 1.00 0.00 C ATOM 870 CD1 LEU A 58 -11.663 -0.300 -3.054 1.00 0.00 C ATOM 871 CD2 LEU A 58 -13.941 -0.757 -2.125 1.00 0.00 C ATOM 0 H LEU A 58 -14.610 -0.324 -5.442 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.712 1.067 -3.326 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -12.962 1.483 -4.544 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -13.431 1.802 -2.885 1.00 0.00 H new ATOM 0 HG LEU A 58 -13.361 -0.944 -4.169 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.365 -1.310 -2.774 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -11.118 0.004 -3.948 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.433 0.385 -2.238 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -13.611 -1.761 -1.857 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.770 -0.083 -1.286 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -15.004 -0.776 -2.364 1.00 0.00 H new ATOM 883 N LYS A 59 -15.312 3.645 -3.685 1.00 0.00 N ATOM 884 CA LYS A 59 -15.546 5.051 -3.991 1.00 0.00 C ATOM 885 C LYS A 59 -14.557 5.942 -3.248 1.00 0.00 C ATOM 886 O LYS A 59 -13.829 5.481 -2.367 1.00 0.00 O ATOM 887 CB LYS A 59 -16.979 5.443 -3.621 1.00 0.00 C ATOM 888 CG LYS A 59 -18.039 4.676 -4.394 1.00 0.00 C ATOM 889 CD LYS A 59 -19.356 5.430 -4.432 1.00 0.00 C ATOM 890 CE LYS A 59 -20.468 4.582 -5.030 1.00 0.00 C ATOM 891 NZ LYS A 59 -21.816 5.118 -4.696 1.00 0.00 N ATOM 0 H LYS A 59 -15.143 3.451 -2.698 1.00 0.00 H new ATOM 0 HA LYS A 59 -15.401 5.192 -5.062 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -17.128 5.277 -2.554 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -17.112 6.510 -3.799 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -17.691 4.498 -5.412 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -18.191 3.700 -3.934 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -19.632 5.733 -3.422 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -19.238 6.342 -5.018 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -20.351 4.542 -6.113 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -20.383 3.560 -4.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -22.546 4.512 -5.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -21.938 5.133 -3.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -21.908 6.084 -5.069 1.00 0.00 H new ATOM 905 N LYS A 60 -14.533 7.221 -3.607 1.00 0.00 N ATOM 906 CA LYS A 60 -13.635 8.178 -2.973 1.00 0.00 C ATOM 907 C LYS A 60 -14.127 8.544 -1.577 1.00 0.00 C ATOM 908 O LYS A 60 -13.399 8.403 -0.594 1.00 0.00 O ATOM 909 CB LYS A 60 -13.515 9.441 -3.830 1.00 0.00 C ATOM 910 CG LYS A 60 -12.481 9.328 -4.937 1.00 0.00 C ATOM 911 CD LYS A 60 -12.963 8.427 -6.061 1.00 0.00 C ATOM 912 CE LYS A 60 -11.799 7.864 -6.862 1.00 0.00 C ATOM 913 NZ LYS A 60 -12.252 6.872 -7.875 1.00 0.00 N ATOM 0 H LYS A 60 -15.126 7.619 -4.335 1.00 0.00 H new ATOM 0 HA LYS A 60 -12.654 7.712 -2.883 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -14.486 9.664 -4.272 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -13.257 10.283 -3.188 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.261 10.319 -5.333 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.550 8.935 -4.528 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -13.550 7.608 -5.646 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -13.623 8.989 -6.722 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -11.274 8.678 -7.361 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -11.087 7.392 -6.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.430 6.512 -8.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -12.731 6.082 -7.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -12.912 7.328 -8.537 1.00 0.00 H new ATOM 927 N CYS A 61 -15.368 9.014 -1.496 1.00 0.00 N ATOM 928 CA CYS A 61 -15.958 9.400 -0.219 1.00 0.00 C ATOM 929 C CYS A 61 -15.570 8.414 0.879 1.00 0.00 C ATOM 930 O CYS A 61 -15.094 8.810 1.942 1.00 0.00 O ATOM 931 CB CYS A 61 -17.480 9.475 -0.339 1.00 0.00 C ATOM 932 SG CYS A 61 -18.097 11.074 -0.916 1.00 0.00 S ATOM 0 H CYS A 61 -15.984 9.137 -2.299 1.00 0.00 H new ATOM 0 HA CYS A 61 -15.573 10.384 0.049 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -17.818 8.698 -1.025 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -17.922 9.257 0.633 1.00 0.00 H new ATOM 0 HG CYS A 61 -19.395 11.038 -0.987 1.00 0.00 H new ATOM 938 N ASN A 62 -15.778 7.129 0.613 1.00 0.00 N ATOM 939 CA ASN A 62 -15.453 6.086 1.580 1.00 0.00 C ATOM 940 C ASN A 62 -13.953 6.058 1.865 1.00 0.00 C ATOM 941 O ASN A 62 -13.146 5.811 0.970 1.00 0.00 O ATOM 942 CB ASN A 62 -15.910 4.721 1.062 1.00 0.00 C ATOM 943 CG ASN A 62 -17.409 4.529 1.186 1.00 0.00 C ATOM 944 OD1 ASN A 62 -18.092 4.233 0.206 1.00 0.00 O ATOM 945 ND2 ASN A 62 -17.928 4.696 2.397 1.00 0.00 N ATOM 0 H ASN A 62 -16.170 6.785 -0.263 1.00 0.00 H new ATOM 0 HA ASN A 62 -15.978 6.309 2.509 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -15.618 4.615 0.017 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -15.398 3.935 1.617 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -18.931 4.579 2.543 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -17.324 4.941 3.181 1.00 0.00 H new ATOM 952 N ALA A 63 -13.590 6.312 3.118 1.00 0.00 N ATOM 953 CA ALA A 63 -12.190 6.313 3.522 1.00 0.00 C ATOM 954 C ALA A 63 -11.926 5.254 4.588 1.00 0.00 C ATOM 955 O ALA A 63 -11.133 4.336 4.381 1.00 0.00 O ATOM 956 CB ALA A 63 -11.789 7.689 4.030 1.00 0.00 C ATOM 0 H ALA A 63 -14.246 6.520 3.871 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.584 6.070 2.649 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.741 7.675 4.328 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -11.931 8.425 3.239 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -12.407 7.955 4.888 1.00 0.00 H new ATOM 962 N HIS A 64 -12.594 5.391 5.729 1.00 0.00 N ATOM 963 CA HIS A 64 -12.431 4.446 6.828 1.00 0.00 C ATOM 964 C HIS A 64 -12.672 3.015 6.355 1.00 0.00 C ATOM 965 O HIS A 64 -11.817 2.146 6.515 1.00 0.00 O ATOM 966 CB HIS A 64 -13.390 4.788 7.969 1.00 0.00 C ATOM 967 CG HIS A 64 -13.287 3.856 9.137 1.00 0.00 C ATOM 968 ND1 HIS A 64 -12.092 3.558 9.759 1.00 0.00 N ATOM 969 CD2 HIS A 64 -14.238 3.156 9.798 1.00 0.00 C ATOM 970 CE1 HIS A 64 -12.315 2.714 10.751 1.00 0.00 C ATOM 971 NE2 HIS A 64 -13.608 2.454 10.796 1.00 0.00 N ATOM 0 H HIS A 64 -13.253 6.147 5.917 1.00 0.00 H new ATOM 0 HA HIS A 64 -11.406 4.521 7.191 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -13.191 5.805 8.307 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -14.412 4.772 7.591 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -11.180 3.931 9.495 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -15.296 3.150 9.581 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.566 2.306 11.413 1.00 0.00 H new ATOM 980 N TYR A 65 -13.844 2.779 5.774 1.00 0.00 N ATOM 981 CA TYR A 65 -14.199 1.454 5.282 1.00 0.00 C ATOM 982 C TYR A 65 -13.162 0.947 4.286 1.00 0.00 C ATOM 983 O TYR A 65 -12.708 -0.193 4.372 1.00 0.00 O ATOM 984 CB TYR A 65 -15.580 1.485 4.625 1.00 0.00 C ATOM 985 CG TYR A 65 -15.863 0.283 3.753 1.00 0.00 C ATOM 986 CD1 TYR A 65 -16.029 -0.979 4.309 1.00 0.00 C ATOM 987 CD2 TYR A 65 -15.962 0.409 2.372 1.00 0.00 C ATOM 988 CE1 TYR A 65 -16.287 -2.081 3.515 1.00 0.00 C ATOM 989 CE2 TYR A 65 -16.221 -0.687 1.572 1.00 0.00 C ATOM 990 CZ TYR A 65 -16.382 -1.929 2.148 1.00 0.00 C ATOM 991 OH TYR A 65 -16.638 -3.024 1.354 1.00 0.00 O ATOM 0 H TYR A 65 -14.563 3.488 5.633 1.00 0.00 H new ATOM 0 HA TYR A 65 -14.223 0.773 6.133 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -16.342 1.547 5.402 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -15.666 2.389 4.022 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -15.955 -1.101 5.380 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -15.834 1.380 1.917 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -16.413 -3.055 3.963 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -16.297 -0.571 0.501 1.00 0.00 H new ATOM 0 HH TYR A 65 -16.675 -2.746 0.415 1.00 0.00 H new ATOM 1001 N ASN A 66 -12.789 1.804 3.341 1.00 0.00 N ATOM 1002 CA ASN A 66 -11.805 1.443 2.327 1.00 0.00 C ATOM 1003 C ASN A 66 -10.478 1.053 2.973 1.00 0.00 C ATOM 1004 O ASN A 66 -9.851 0.067 2.582 1.00 0.00 O ATOM 1005 CB ASN A 66 -11.590 2.608 1.359 1.00 0.00 C ATOM 1006 CG ASN A 66 -12.700 2.718 0.332 1.00 0.00 C ATOM 1007 OD1 ASN A 66 -13.716 2.028 0.423 1.00 0.00 O ATOM 1008 ND2 ASN A 66 -12.512 3.589 -0.653 1.00 0.00 N ATOM 0 H ASN A 66 -13.153 2.753 3.256 1.00 0.00 H new ATOM 0 HA ASN A 66 -12.187 0.585 1.774 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -11.527 3.539 1.923 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -10.636 2.480 0.847 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -13.225 3.707 -1.373 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -11.655 4.140 -0.690 1.00 0.00 H new ATOM 1015 N LEU A 67 -10.056 1.832 3.963 1.00 0.00 N ATOM 1016 CA LEU A 67 -8.804 1.568 4.663 1.00 0.00 C ATOM 1017 C LEU A 67 -8.811 0.174 5.284 1.00 0.00 C ATOM 1018 O LEU A 67 -8.054 -0.703 4.869 1.00 0.00 O ATOM 1019 CB LEU A 67 -8.573 2.621 5.749 1.00 0.00 C ATOM 1020 CG LEU A 67 -7.870 3.903 5.301 1.00 0.00 C ATOM 1021 CD1 LEU A 67 -8.201 5.049 6.244 1.00 0.00 C ATOM 1022 CD2 LEU A 67 -6.366 3.689 5.225 1.00 0.00 C ATOM 0 H LEU A 67 -10.562 2.651 4.299 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.992 1.619 3.937 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.538 2.890 6.177 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.985 2.168 6.547 1.00 0.00 H new ATOM 0 HG LEU A 67 -8.229 4.163 4.305 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -7.692 5.953 5.910 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.278 5.218 6.247 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.870 4.798 7.252 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.883 4.612 4.905 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -5.989 3.404 6.207 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -6.147 2.897 4.509 1.00 0.00 H new ATOM 1034 N GLN A 68 -9.672 -0.022 6.277 1.00 0.00 N ATOM 1035 CA GLN A 68 -9.778 -1.309 6.953 1.00 0.00 C ATOM 1036 C GLN A 68 -9.905 -2.445 5.943 1.00 0.00 C ATOM 1037 O GLN A 68 -9.345 -3.523 6.135 1.00 0.00 O ATOM 1038 CB GLN A 68 -10.981 -1.315 7.899 1.00 0.00 C ATOM 1039 CG GLN A 68 -12.318 -1.206 7.184 1.00 0.00 C ATOM 1040 CD GLN A 68 -13.480 -1.046 8.143 1.00 0.00 C ATOM 1041 OE1 GLN A 68 -13.371 -0.362 9.161 1.00 0.00 O ATOM 1042 NE2 GLN A 68 -14.604 -1.677 7.822 1.00 0.00 N ATOM 0 H GLN A 68 -10.306 0.694 6.631 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.868 -1.462 7.533 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.966 -2.233 8.486 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -10.885 -0.486 8.601 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.294 -0.355 6.503 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -12.474 -2.097 6.575 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.651 -2.233 6.968 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.420 -1.605 8.429 1.00 0.00 H new ATOM 1051 N ASN A 69 -10.645 -2.196 4.869 1.00 0.00 N ATOM 1052 CA ASN A 69 -10.847 -3.198 3.829 1.00 0.00 C ATOM 1053 C ASN A 69 -9.511 -3.755 3.345 1.00 0.00 C ATOM 1054 O ASN A 69 -9.285 -4.964 3.372 1.00 0.00 O ATOM 1055 CB ASN A 69 -11.617 -2.596 2.653 1.00 0.00 C ATOM 1056 CG ASN A 69 -12.336 -3.650 1.833 1.00 0.00 C ATOM 1057 OD1 ASN A 69 -13.360 -4.188 2.253 1.00 0.00 O ATOM 1058 ND2 ASN A 69 -11.801 -3.948 0.654 1.00 0.00 N ATOM 0 H ASN A 69 -11.116 -1.308 4.695 1.00 0.00 H new ATOM 0 HA ASN A 69 -11.429 -4.015 4.255 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -12.342 -1.874 3.028 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -10.926 -2.049 2.011 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -12.241 -4.648 0.057 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -10.951 -3.476 0.346 1.00 0.00 H new ATOM 1065 N ALA A 70 -8.629 -2.863 2.903 1.00 0.00 N ATOM 1066 CA ALA A 70 -7.316 -3.264 2.415 1.00 0.00 C ATOM 1067 C ALA A 70 -6.511 -3.954 3.510 1.00 0.00 C ATOM 1068 O ALA A 70 -6.000 -5.057 3.318 1.00 0.00 O ATOM 1069 CB ALA A 70 -6.560 -2.056 1.882 1.00 0.00 C ATOM 0 H ALA A 70 -8.801 -1.858 2.873 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.459 -3.976 1.603 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -5.581 -2.370 1.521 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.122 -1.607 1.063 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.435 -1.324 2.680 1.00 0.00 H new ATOM 1075 N PHE A 71 -6.400 -3.297 4.660 1.00 0.00 N ATOM 1076 CA PHE A 71 -5.655 -3.847 5.786 1.00 0.00 C ATOM 1077 C PHE A 71 -6.094 -5.277 6.083 1.00 0.00 C ATOM 1078 O PHE A 71 -5.265 -6.172 6.242 1.00 0.00 O ATOM 1079 CB PHE A 71 -5.850 -2.974 7.029 1.00 0.00 C ATOM 1080 CG PHE A 71 -5.297 -1.585 6.877 1.00 0.00 C ATOM 1081 CD1 PHE A 71 -4.071 -1.376 6.267 1.00 0.00 C ATOM 1082 CD2 PHE A 71 -6.004 -0.490 7.347 1.00 0.00 C ATOM 1083 CE1 PHE A 71 -3.561 -0.099 6.127 1.00 0.00 C ATOM 1084 CE2 PHE A 71 -5.499 0.790 7.210 1.00 0.00 C ATOM 1085 CZ PHE A 71 -4.276 0.985 6.599 1.00 0.00 C ATOM 0 H PHE A 71 -6.817 -2.383 4.836 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.598 -3.858 5.519 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.914 -2.910 7.256 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -5.371 -3.456 7.881 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -3.508 -2.220 5.897 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -6.961 -0.638 7.826 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -2.604 0.051 5.649 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -6.060 1.635 7.580 1.00 0.00 H new ATOM 0 HZ PHE A 71 -3.879 1.983 6.490 1.00 0.00 H new ATOM 1095 N ASN A 72 -7.405 -5.484 6.155 1.00 0.00 N ATOM 1096 CA ASN A 72 -7.956 -6.807 6.434 1.00 0.00 C ATOM 1097 C ASN A 72 -7.640 -7.777 5.300 1.00 0.00 C ATOM 1098 O ASN A 72 -7.056 -8.838 5.520 1.00 0.00 O ATOM 1099 CB ASN A 72 -9.469 -6.719 6.639 1.00 0.00 C ATOM 1100 CG ASN A 72 -9.841 -5.902 7.861 1.00 0.00 C ATOM 1101 OD1 ASN A 72 -10.681 -4.891 7.665 1.00 0.00 O flip ATOM 1102 ND2 ASN A 72 -9.379 -6.177 8.968 1.00 0.00 N flip ATOM 0 H ASN A 72 -8.105 -4.754 6.024 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.494 -7.181 7.348 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -9.927 -6.275 5.755 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -9.878 -7.724 6.739 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.737 -6.963 9.072 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.638 -5.619 9.782 1.00 0.00 H new ATOM 1109 N LEU A 73 -8.029 -7.405 4.085 1.00 0.00 N ATOM 1110 CA LEU A 73 -7.787 -8.242 2.915 1.00 0.00 C ATOM 1111 C LEU A 73 -6.333 -8.696 2.861 1.00 0.00 C ATOM 1112 O LEU A 73 -6.047 -9.877 2.664 1.00 0.00 O ATOM 1113 CB LEU A 73 -8.144 -7.481 1.636 1.00 0.00 C ATOM 1114 CG LEU A 73 -9.593 -7.607 1.163 1.00 0.00 C ATOM 1115 CD1 LEU A 73 -9.836 -6.721 -0.050 1.00 0.00 C ATOM 1116 CD2 LEU A 73 -9.926 -9.056 0.843 1.00 0.00 C ATOM 0 H LEU A 73 -8.513 -6.530 3.885 1.00 0.00 H new ATOM 0 HA LEU A 73 -8.421 -9.125 2.994 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.924 -6.425 1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.490 -7.828 0.836 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.249 -7.275 1.968 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.872 -6.823 -0.373 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.639 -5.682 0.213 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.172 -7.023 -0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.961 -9.126 0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -9.264 -9.416 0.055 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.792 -9.666 1.736 1.00 0.00 H new ATOM 1128 N ALA A 74 -5.417 -7.749 3.039 1.00 0.00 N ATOM 1129 CA ALA A 74 -3.990 -8.052 3.015 1.00 0.00 C ATOM 1130 C ALA A 74 -3.572 -8.821 4.264 1.00 0.00 C ATOM 1131 O ALA A 74 -2.713 -9.701 4.203 1.00 0.00 O ATOM 1132 CB ALA A 74 -3.181 -6.771 2.885 1.00 0.00 C ATOM 0 H ALA A 74 -5.637 -6.766 3.201 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.791 -8.683 2.149 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.118 -7.012 2.868 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.452 -6.262 1.960 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.392 -6.120 3.733 1.00 0.00 H new ATOM 1138 N GLU A 75 -4.183 -8.483 5.395 1.00 0.00 N ATOM 1139 CA GLU A 75 -3.871 -9.141 6.658 1.00 0.00 C ATOM 1140 C GLU A 75 -4.383 -10.579 6.663 1.00 0.00 C ATOM 1141 O GLU A 75 -3.975 -11.392 7.492 1.00 0.00 O ATOM 1142 CB GLU A 75 -4.481 -8.366 7.827 1.00 0.00 C ATOM 1143 CG GLU A 75 -4.216 -8.999 9.182 1.00 0.00 C ATOM 1144 CD GLU A 75 -5.100 -10.201 9.448 1.00 0.00 C ATOM 1145 OE1 GLU A 75 -6.310 -10.124 9.148 1.00 0.00 O ATOM 1146 OE2 GLU A 75 -4.584 -11.219 9.956 1.00 0.00 O ATOM 0 H GLU A 75 -4.897 -7.757 5.462 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.787 -9.159 6.771 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.083 -7.351 7.826 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.558 -8.287 7.677 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -3.171 -9.302 9.239 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -4.375 -8.256 9.963 1.00 0.00 H new ATOM 1153 N LYS A 76 -5.281 -10.883 5.732 1.00 0.00 N ATOM 1154 CA LYS A 76 -5.850 -12.222 5.627 1.00 0.00 C ATOM 1155 C LYS A 76 -5.233 -12.985 4.460 1.00 0.00 C ATOM 1156 O LYS A 76 -4.637 -14.045 4.647 1.00 0.00 O ATOM 1157 CB LYS A 76 -7.368 -12.140 5.452 1.00 0.00 C ATOM 1158 CG LYS A 76 -8.074 -13.472 5.641 1.00 0.00 C ATOM 1159 CD LYS A 76 -8.182 -14.235 4.332 1.00 0.00 C ATOM 1160 CE LYS A 76 -9.403 -13.804 3.533 1.00 0.00 C ATOM 1161 NZ LYS A 76 -10.670 -14.265 4.165 1.00 0.00 N ATOM 0 H LYS A 76 -5.630 -10.221 5.039 1.00 0.00 H new ATOM 0 HA LYS A 76 -5.625 -12.759 6.548 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -7.769 -11.421 6.166 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -7.591 -11.758 4.456 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.530 -14.073 6.370 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.071 -13.302 6.048 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -7.282 -14.071 3.739 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.239 -15.304 4.537 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.415 -12.718 3.446 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.335 -14.204 2.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -11.436 -14.245 3.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.549 -15.236 4.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -10.911 -13.636 4.957 1.00 0.00 H new ATOM 1175 N GLU A 77 -5.382 -12.439 3.257 1.00 0.00 N ATOM 1176 CA GLU A 77 -4.838 -13.069 2.060 1.00 0.00 C ATOM 1177 C GLU A 77 -3.316 -13.148 2.130 1.00 0.00 C ATOM 1178 O GLU A 77 -2.743 -14.231 2.256 1.00 0.00 O ATOM 1179 CB GLU A 77 -5.263 -12.296 0.810 1.00 0.00 C ATOM 1180 CG GLU A 77 -6.724 -12.492 0.441 1.00 0.00 C ATOM 1181 CD GLU A 77 -7.024 -13.904 -0.024 1.00 0.00 C ATOM 1182 OE1 GLU A 77 -6.333 -14.382 -0.948 1.00 0.00 O ATOM 1183 OE2 GLU A 77 -7.948 -14.530 0.533 1.00 0.00 O ATOM 0 H GLU A 77 -5.875 -11.562 3.086 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.235 -14.083 2.003 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -5.076 -11.234 0.969 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.640 -12.607 -0.029 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.347 -12.258 1.304 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.993 -11.789 -0.347 1.00 0.00 H new ATOM 1190 N LEU A 78 -2.666 -11.993 2.046 1.00 0.00 N ATOM 1191 CA LEU A 78 -1.209 -11.928 2.099 1.00 0.00 C ATOM 1192 C LEU A 78 -0.688 -12.477 3.424 1.00 0.00 C ATOM 1193 O LEU A 78 0.206 -13.321 3.449 1.00 0.00 O ATOM 1194 CB LEU A 78 -0.735 -10.486 1.910 1.00 0.00 C ATOM 1195 CG LEU A 78 -1.328 -9.737 0.716 1.00 0.00 C ATOM 1196 CD1 LEU A 78 -0.941 -8.267 0.763 1.00 0.00 C ATOM 1197 CD2 LEU A 78 -0.871 -10.369 -0.591 1.00 0.00 C ATOM 0 H LEU A 78 -3.125 -11.088 1.941 1.00 0.00 H new ATOM 0 HA LEU A 78 -0.813 -12.542 1.290 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.967 -9.926 2.816 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.350 -10.492 1.808 1.00 0.00 H new ATOM 0 HG LEU A 78 -2.414 -9.808 0.770 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.372 -7.750 -0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.318 -7.821 1.683 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.145 -8.175 0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -1.303 -9.823 -1.430 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.216 -10.330 -0.654 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -1.199 -11.408 -0.627 1.00 0.00 H new ATOM 1209 N GLY A 79 -1.256 -11.991 4.524 1.00 0.00 N ATOM 1210 CA GLY A 79 -0.837 -12.446 5.837 1.00 0.00 C ATOM 1211 C GLY A 79 0.061 -11.445 6.538 1.00 0.00 C ATOM 1212 O GLY A 79 0.982 -11.826 7.261 1.00 0.00 O ATOM 0 H GLY A 79 -1.998 -11.291 4.529 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.718 -12.632 6.452 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -0.310 -13.395 5.738 1.00 0.00 H new ATOM 1216 N LEU A 80 -0.206 -10.162 6.323 1.00 0.00 N ATOM 1217 CA LEU A 80 0.587 -9.102 6.939 1.00 0.00 C ATOM 1218 C LEU A 80 -0.004 -8.693 8.284 1.00 0.00 C ATOM 1219 O LEU A 80 -1.223 -8.662 8.457 1.00 0.00 O ATOM 1220 CB LEU A 80 0.659 -7.888 6.011 1.00 0.00 C ATOM 1221 CG LEU A 80 1.373 -8.105 4.676 1.00 0.00 C ATOM 1222 CD1 LEU A 80 1.016 -7.000 3.694 1.00 0.00 C ATOM 1223 CD2 LEU A 80 2.879 -8.173 4.882 1.00 0.00 C ATOM 0 H LEU A 80 -0.965 -9.830 5.728 1.00 0.00 H new ATOM 0 HA LEU A 80 1.594 -9.485 7.106 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -0.357 -7.552 5.806 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.162 -7.079 6.542 1.00 0.00 H new ATOM 0 HG LEU A 80 1.041 -9.055 4.258 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.533 -7.171 2.750 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.060 -6.999 3.523 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.319 -6.037 4.104 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.371 -8.328 3.922 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.229 -7.239 5.322 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.118 -9.001 5.550 1.00 0.00 H new ATOM 1235 N THR A 81 0.870 -8.379 9.236 1.00 0.00 N ATOM 1236 CA THR A 81 0.436 -7.971 10.566 1.00 0.00 C ATOM 1237 C THR A 81 0.045 -6.497 10.590 1.00 0.00 C ATOM 1238 O THR A 81 0.899 -5.616 10.493 1.00 0.00 O ATOM 1239 CB THR A 81 1.537 -8.214 11.616 1.00 0.00 C ATOM 1240 OG1 THR A 81 1.874 -9.605 11.659 1.00 0.00 O ATOM 1241 CG2 THR A 81 1.083 -7.755 12.993 1.00 0.00 C ATOM 0 H THR A 81 1.882 -8.400 9.110 1.00 0.00 H new ATOM 0 HA THR A 81 -0.434 -8.579 10.814 1.00 0.00 H new ATOM 0 HB THR A 81 2.415 -7.636 11.329 1.00 0.00 H new ATOM 0 HG1 THR A 81 2.576 -9.751 12.327 1.00 0.00 H new ATOM 0 HG21 THR A 81 1.877 -7.937 13.717 1.00 0.00 H new ATOM 0 HG22 THR A 81 0.855 -6.690 12.964 1.00 0.00 H new ATOM 0 HG23 THR A 81 0.191 -8.309 13.286 1.00 0.00 H new ATOM 1249 N LYS A 82 -1.251 -6.236 10.719 1.00 0.00 N ATOM 1250 CA LYS A 82 -1.757 -4.870 10.757 1.00 0.00 C ATOM 1251 C LYS A 82 -0.976 -4.028 11.762 1.00 0.00 C ATOM 1252 O LYS A 82 -1.125 -4.195 12.974 1.00 0.00 O ATOM 1253 CB LYS A 82 -3.244 -4.864 11.117 1.00 0.00 C ATOM 1254 CG LYS A 82 -4.162 -4.941 9.908 1.00 0.00 C ATOM 1255 CD LYS A 82 -5.620 -4.767 10.304 1.00 0.00 C ATOM 1256 CE LYS A 82 -6.273 -6.103 10.626 1.00 0.00 C ATOM 1257 NZ LYS A 82 -6.100 -6.473 12.059 1.00 0.00 N ATOM 0 H LYS A 82 -1.971 -6.954 10.799 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.628 -4.434 9.766 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -3.453 -5.707 11.776 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.470 -3.957 11.678 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -3.884 -4.170 9.189 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -4.031 -5.902 9.411 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -5.687 -4.110 11.171 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -6.163 -4.281 9.493 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -7.336 -6.054 10.389 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -5.841 -6.880 9.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -6.865 -7.116 12.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -5.183 -6.947 12.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -6.131 -5.615 12.645 1.00 0.00 H new ATOM 1271 N LEU A 83 -0.147 -3.125 11.252 1.00 0.00 N ATOM 1272 CA LEU A 83 0.656 -2.255 12.106 1.00 0.00 C ATOM 1273 C LEU A 83 -0.110 -0.986 12.464 1.00 0.00 C ATOM 1274 O LEU A 83 -0.105 -0.549 13.616 1.00 0.00 O ATOM 1275 CB LEU A 83 1.968 -1.894 11.409 1.00 0.00 C ATOM 1276 CG LEU A 83 2.787 -3.068 10.870 1.00 0.00 C ATOM 1277 CD1 LEU A 83 3.977 -2.564 10.066 1.00 0.00 C ATOM 1278 CD2 LEU A 83 3.251 -3.964 12.009 1.00 0.00 C ATOM 0 H LEU A 83 -0.013 -2.975 10.252 1.00 0.00 H new ATOM 0 HA LEU A 83 0.878 -2.795 13.027 1.00 0.00 H new ATOM 0 HB2 LEU A 83 1.743 -1.223 10.580 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.588 -1.337 12.111 1.00 0.00 H new ATOM 0 HG LEU A 83 2.151 -3.656 10.209 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.548 -3.413 9.690 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.622 -1.966 9.227 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.614 -1.952 10.704 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.832 -4.794 11.606 1.00 0.00 H new ATOM 0 HD22 LEU A 83 3.870 -3.388 12.696 1.00 0.00 H new ATOM 0 HD23 LEU A 83 2.384 -4.354 12.542 1.00 0.00 H new ATOM 1290 N LEU A 84 -0.768 -0.399 11.471 1.00 0.00 N ATOM 1291 CA LEU A 84 -1.540 0.821 11.680 1.00 0.00 C ATOM 1292 C LEU A 84 -3.032 0.513 11.770 1.00 0.00 C ATOM 1293 O LEU A 84 -3.437 -0.650 11.759 1.00 0.00 O ATOM 1294 CB LEU A 84 -1.282 1.814 10.547 1.00 0.00 C ATOM 1295 CG LEU A 84 0.176 2.224 10.333 1.00 0.00 C ATOM 1296 CD1 LEU A 84 0.343 2.925 8.994 1.00 0.00 C ATOM 1297 CD2 LEU A 84 0.650 3.120 11.469 1.00 0.00 C ATOM 0 H LEU A 84 -0.783 -0.748 10.513 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.221 1.265 12.623 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.657 1.382 9.619 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.867 2.713 10.739 1.00 0.00 H new ATOM 0 HG LEU A 84 0.789 1.323 10.327 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.387 3.209 8.860 1.00 0.00 H new ATOM 0 HD12 LEU A 84 0.044 2.251 8.191 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.282 3.818 8.970 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.689 3.402 11.300 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.032 4.017 11.507 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.568 2.583 12.414 1.00 0.00 H new ATOM 1309 N ASP A 85 -3.843 1.560 11.859 1.00 0.00 N ATOM 1310 CA ASP A 85 -5.290 1.401 11.947 1.00 0.00 C ATOM 1311 C ASP A 85 -5.997 2.286 10.925 1.00 0.00 C ATOM 1312 O ASP A 85 -5.490 3.330 10.515 1.00 0.00 O ATOM 1313 CB ASP A 85 -5.777 1.741 13.357 1.00 0.00 C ATOM 1314 CG ASP A 85 -5.677 0.560 14.303 1.00 0.00 C ATOM 1315 OD1 ASP A 85 -6.416 -0.426 14.101 1.00 0.00 O ATOM 1316 OD2 ASP A 85 -4.861 0.622 15.247 1.00 0.00 O ATOM 0 H ASP A 85 -3.524 2.529 11.872 1.00 0.00 H new ATOM 0 HA ASP A 85 -5.530 0.361 11.729 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.189 2.570 13.751 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.812 2.078 13.309 1.00 0.00 H new ATOM 1321 N PRO A 86 -7.197 1.859 10.503 1.00 0.00 N ATOM 1322 CA PRO A 86 -8.000 2.598 9.523 1.00 0.00 C ATOM 1323 C PRO A 86 -8.553 3.901 10.091 1.00 0.00 C ATOM 1324 O PRO A 86 -9.256 4.638 9.400 1.00 0.00 O ATOM 1325 CB PRO A 86 -9.139 1.629 9.196 1.00 0.00 C ATOM 1326 CG PRO A 86 -9.256 0.762 10.401 1.00 0.00 C ATOM 1327 CD PRO A 86 -7.862 0.625 10.949 1.00 0.00 C ATOM 0 HA PRO A 86 -7.413 2.895 8.654 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -10.069 2.163 9.001 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -8.916 1.041 8.306 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -9.923 1.207 11.139 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -9.671 -0.212 10.142 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -7.864 0.540 12.036 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -7.363 -0.263 10.561 1.00 0.00 H new ATOM 1335 N GLU A 87 -8.231 4.175 11.350 1.00 0.00 N ATOM 1336 CA GLU A 87 -8.698 5.390 12.009 1.00 0.00 C ATOM 1337 C GLU A 87 -7.533 6.330 12.306 1.00 0.00 C ATOM 1338 O GLU A 87 -7.673 7.551 12.237 1.00 0.00 O ATOM 1339 CB GLU A 87 -9.431 5.043 13.307 1.00 0.00 C ATOM 1340 CG GLU A 87 -8.608 4.196 14.263 1.00 0.00 C ATOM 1341 CD GLU A 87 -9.299 3.981 15.595 1.00 0.00 C ATOM 1342 OE1 GLU A 87 -10.546 4.035 15.631 1.00 0.00 O ATOM 1343 OE2 GLU A 87 -8.594 3.759 16.602 1.00 0.00 O ATOM 0 H GLU A 87 -7.650 3.574 11.934 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.388 5.896 11.334 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.720 5.966 13.809 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.351 4.511 13.064 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.405 3.229 13.803 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.645 4.677 14.431 1.00 0.00 H new ATOM 1350 N ASP A 88 -6.383 5.751 12.637 1.00 0.00 N ATOM 1351 CA ASP A 88 -5.193 6.536 12.944 1.00 0.00 C ATOM 1352 C ASP A 88 -4.658 7.225 11.692 1.00 0.00 C ATOM 1353 O ASP A 88 -4.339 8.414 11.713 1.00 0.00 O ATOM 1354 CB ASP A 88 -4.110 5.644 13.552 1.00 0.00 C ATOM 1355 CG ASP A 88 -4.250 5.504 15.054 1.00 0.00 C ATOM 1356 OD1 ASP A 88 -4.263 6.543 15.748 1.00 0.00 O ATOM 1357 OD2 ASP A 88 -4.348 4.357 15.538 1.00 0.00 O ATOM 0 H ASP A 88 -6.250 4.742 12.699 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.471 7.302 13.668 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -4.157 4.657 13.092 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -3.129 6.058 13.319 1.00 0.00 H new ATOM 1362 N VAL A 89 -4.562 6.470 10.602 1.00 0.00 N ATOM 1363 CA VAL A 89 -4.067 7.007 9.341 1.00 0.00 C ATOM 1364 C VAL A 89 -4.983 8.105 8.814 1.00 0.00 C ATOM 1365 O VAL A 89 -4.524 9.178 8.423 1.00 0.00 O ATOM 1366 CB VAL A 89 -3.936 5.905 8.274 1.00 0.00 C ATOM 1367 CG1 VAL A 89 -3.496 6.498 6.944 1.00 0.00 C ATOM 1368 CG2 VAL A 89 -2.964 4.829 8.735 1.00 0.00 C ATOM 0 H VAL A 89 -4.821 5.484 10.568 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.081 7.426 9.541 1.00 0.00 H new ATOM 0 HB VAL A 89 -4.913 5.443 8.133 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -3.409 5.704 6.203 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -4.233 7.228 6.609 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.530 6.988 7.066 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -2.884 4.058 7.968 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -1.984 5.274 8.906 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -3.327 4.383 9.661 1.00 0.00 H new ATOM 1378 N ASN A 90 -6.283 7.829 8.804 1.00 0.00 N ATOM 1379 CA ASN A 90 -7.266 8.793 8.324 1.00 0.00 C ATOM 1380 C ASN A 90 -7.156 10.109 9.088 1.00 0.00 C ATOM 1381 O ASN A 90 -7.793 10.292 10.125 1.00 0.00 O ATOM 1382 CB ASN A 90 -8.680 8.226 8.465 1.00 0.00 C ATOM 1383 CG ASN A 90 -9.746 9.215 8.036 1.00 0.00 C ATOM 1384 OD1 ASN A 90 -9.475 10.406 7.876 1.00 0.00 O ATOM 1385 ND2 ASN A 90 -10.966 8.727 7.849 1.00 0.00 N ATOM 0 H ASN A 90 -6.680 6.945 9.123 1.00 0.00 H new ATOM 0 HA ASN A 90 -7.063 8.986 7.271 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -8.766 7.320 7.865 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.851 7.939 9.502 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -11.724 9.346 7.561 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -11.145 7.733 7.993 1.00 0.00 H new ATOM 1392 N VAL A 91 -6.343 11.024 8.567 1.00 0.00 N ATOM 1393 CA VAL A 91 -6.150 12.323 9.199 1.00 0.00 C ATOM 1394 C VAL A 91 -5.569 13.332 8.215 1.00 0.00 C ATOM 1395 O VAL A 91 -4.908 12.959 7.247 1.00 0.00 O ATOM 1396 CB VAL A 91 -5.219 12.220 10.422 1.00 0.00 C ATOM 1397 CG1 VAL A 91 -3.797 11.899 9.984 1.00 0.00 C ATOM 1398 CG2 VAL A 91 -5.258 13.507 11.231 1.00 0.00 C ATOM 0 H VAL A 91 -5.808 10.889 7.709 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.132 12.664 9.527 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.571 11.408 11.058 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.153 11.830 10.861 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.786 10.949 9.450 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.432 12.688 9.327 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.595 13.416 12.091 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.932 14.339 10.607 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.276 13.689 11.576 1.00 0.00 H new ATOM 1408 N ASP A 92 -5.822 14.611 8.470 1.00 0.00 N ATOM 1409 CA ASP A 92 -5.322 15.676 7.607 1.00 0.00 C ATOM 1410 C ASP A 92 -3.837 15.485 7.313 1.00 0.00 C ATOM 1411 O ASP A 92 -3.422 15.468 6.155 1.00 0.00 O ATOM 1412 CB ASP A 92 -5.556 17.040 8.258 1.00 0.00 C ATOM 1413 CG ASP A 92 -6.953 17.570 8.007 1.00 0.00 C ATOM 1414 OD1 ASP A 92 -7.264 17.895 6.842 1.00 0.00 O ATOM 1415 OD2 ASP A 92 -7.736 17.661 8.976 1.00 0.00 O ATOM 0 H ASP A 92 -6.370 14.936 9.267 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.868 15.634 6.665 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -5.389 16.960 9.332 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -4.826 17.752 7.874 1.00 0.00 H new ATOM 1420 N GLN A 93 -3.043 15.343 8.370 1.00 0.00 N ATOM 1421 CA GLN A 93 -1.604 15.155 8.224 1.00 0.00 C ATOM 1422 C GLN A 93 -1.108 14.028 9.124 1.00 0.00 C ATOM 1423 O GLN A 93 -0.674 14.249 10.254 1.00 0.00 O ATOM 1424 CB GLN A 93 -0.865 16.452 8.555 1.00 0.00 C ATOM 1425 CG GLN A 93 -1.145 17.582 7.576 1.00 0.00 C ATOM 1426 CD GLN A 93 -0.350 18.834 7.887 1.00 0.00 C ATOM 1427 OE1 GLN A 93 0.869 18.869 7.714 1.00 0.00 O ATOM 1428 NE2 GLN A 93 -1.037 19.873 8.347 1.00 0.00 N ATOM 0 H GLN A 93 -3.371 15.355 9.336 1.00 0.00 H new ATOM 0 HA GLN A 93 -1.401 14.883 7.188 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -1.146 16.774 9.558 1.00 0.00 H new ATOM 0 HB3 GLN A 93 0.207 16.255 8.572 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -0.910 17.249 6.565 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -2.209 17.818 7.594 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -2.046 19.801 8.475 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -0.555 20.744 8.572 1.00 0.00 H new ATOM 1437 N PRO A 94 -1.174 12.790 8.611 1.00 0.00 N ATOM 1438 CA PRO A 94 -0.734 11.604 9.352 1.00 0.00 C ATOM 1439 C PRO A 94 0.779 11.557 9.528 1.00 0.00 C ATOM 1440 O PRO A 94 1.477 12.530 9.241 1.00 0.00 O ATOM 1441 CB PRO A 94 -1.207 10.442 8.474 1.00 0.00 C ATOM 1442 CG PRO A 94 -1.282 11.013 7.099 1.00 0.00 C ATOM 1443 CD PRO A 94 -1.680 12.453 7.271 1.00 0.00 C ATOM 0 HA PRO A 94 -1.137 11.584 10.364 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.511 9.604 8.517 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -2.177 10.068 8.801 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.322 10.931 6.589 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.011 10.476 6.492 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.236 13.087 6.503 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.760 12.582 7.206 1.00 0.00 H new ATOM 1451 N ASP A 95 1.279 10.421 10.002 1.00 0.00 N ATOM 1452 CA ASP A 95 2.712 10.247 10.214 1.00 0.00 C ATOM 1453 C ASP A 95 3.333 9.425 9.089 1.00 0.00 C ATOM 1454 O ASP A 95 3.446 8.205 9.190 1.00 0.00 O ATOM 1455 CB ASP A 95 2.971 9.570 11.560 1.00 0.00 C ATOM 1456 CG ASP A 95 2.869 10.535 12.724 1.00 0.00 C ATOM 1457 OD1 ASP A 95 3.619 11.533 12.735 1.00 0.00 O ATOM 1458 OD2 ASP A 95 2.037 10.294 13.624 1.00 0.00 O ATOM 0 H ASP A 95 0.714 9.608 10.247 1.00 0.00 H new ATOM 0 HA ASP A 95 3.176 11.233 10.217 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.255 8.760 11.700 1.00 0.00 H new ATOM 0 HB3 ASP A 95 3.964 9.120 11.552 1.00 0.00 H new ATOM 1463 N GLU A 96 3.733 10.104 8.018 1.00 0.00 N ATOM 1464 CA GLU A 96 4.340 9.436 6.874 1.00 0.00 C ATOM 1465 C GLU A 96 5.323 8.361 7.329 1.00 0.00 C ATOM 1466 O GLU A 96 5.496 7.339 6.665 1.00 0.00 O ATOM 1467 CB GLU A 96 5.055 10.452 5.982 1.00 0.00 C ATOM 1468 CG GLU A 96 6.090 11.286 6.718 1.00 0.00 C ATOM 1469 CD GLU A 96 7.053 11.985 5.778 1.00 0.00 C ATOM 1470 OE1 GLU A 96 7.388 11.399 4.728 1.00 0.00 O ATOM 1471 OE2 GLU A 96 7.470 13.119 6.094 1.00 0.00 O ATOM 0 H GLU A 96 3.647 11.116 7.919 1.00 0.00 H new ATOM 0 HA GLU A 96 3.545 8.958 6.302 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.542 9.924 5.162 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.315 11.117 5.537 1.00 0.00 H new ATOM 0 HG2 GLU A 96 5.582 12.031 7.331 1.00 0.00 H new ATOM 0 HG3 GLU A 96 6.652 10.644 7.397 1.00 0.00 H new ATOM 1478 N LYS A 97 5.965 8.600 8.468 1.00 0.00 N ATOM 1479 CA LYS A 97 6.930 7.654 9.015 1.00 0.00 C ATOM 1480 C LYS A 97 6.234 6.389 9.507 1.00 0.00 C ATOM 1481 O LYS A 97 6.742 5.282 9.331 1.00 0.00 O ATOM 1482 CB LYS A 97 7.711 8.299 10.163 1.00 0.00 C ATOM 1483 CG LYS A 97 8.684 9.373 9.710 1.00 0.00 C ATOM 1484 CD LYS A 97 9.868 8.776 8.967 1.00 0.00 C ATOM 1485 CE LYS A 97 10.442 9.754 7.954 1.00 0.00 C ATOM 1486 NZ LYS A 97 11.821 9.377 7.538 1.00 0.00 N ATOM 0 H LYS A 97 5.834 9.441 9.030 1.00 0.00 H new ATOM 0 HA LYS A 97 7.623 7.379 8.220 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.006 8.735 10.871 1.00 0.00 H new ATOM 0 HB3 LYS A 97 8.261 7.524 10.697 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.168 10.083 9.064 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.040 9.931 10.576 1.00 0.00 H new ATOM 0 HD2 LYS A 97 10.642 8.494 9.681 1.00 0.00 H new ATOM 0 HD3 LYS A 97 9.557 7.864 8.458 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.795 9.790 7.077 1.00 0.00 H new ATOM 0 HE3 LYS A 97 10.453 10.756 8.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 12.176 10.068 6.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 12.444 9.367 8.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 11.807 8.431 7.105 1.00 0.00 H new ATOM 1500 N SER A 98 5.068 6.562 10.122 1.00 0.00 N ATOM 1501 CA SER A 98 4.303 5.434 10.640 1.00 0.00 C ATOM 1502 C SER A 98 3.634 4.663 9.506 1.00 0.00 C ATOM 1503 O SER A 98 3.186 3.532 9.690 1.00 0.00 O ATOM 1504 CB SER A 98 3.247 5.920 11.635 1.00 0.00 C ATOM 1505 OG SER A 98 3.829 6.217 12.892 1.00 0.00 O ATOM 0 H SER A 98 4.633 7.472 10.273 1.00 0.00 H new ATOM 0 HA SER A 98 4.993 4.764 11.152 1.00 0.00 H new ATOM 0 HB2 SER A 98 2.753 6.808 11.241 1.00 0.00 H new ATOM 0 HB3 SER A 98 2.479 5.156 11.758 1.00 0.00 H new ATOM 0 HG SER A 98 3.134 6.527 13.509 1.00 0.00 H new ATOM 1511 N ILE A 99 3.571 5.285 8.333 1.00 0.00 N ATOM 1512 CA ILE A 99 2.958 4.659 7.169 1.00 0.00 C ATOM 1513 C ILE A 99 4.005 3.970 6.300 1.00 0.00 C ATOM 1514 O ILE A 99 3.863 2.798 5.951 1.00 0.00 O ATOM 1515 CB ILE A 99 2.194 5.687 6.314 1.00 0.00 C ATOM 1516 CG1 ILE A 99 1.050 6.304 7.120 1.00 0.00 C ATOM 1517 CG2 ILE A 99 1.664 5.033 5.047 1.00 0.00 C ATOM 1518 CD1 ILE A 99 0.484 7.562 6.501 1.00 0.00 C ATOM 0 H ILE A 99 3.937 6.222 8.164 1.00 0.00 H new ATOM 0 HA ILE A 99 2.254 3.916 7.544 1.00 0.00 H new ATOM 0 HB ILE A 99 2.882 6.483 6.028 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.252 5.569 7.224 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.406 6.532 8.125 1.00 0.00 H new ATOM 0 HG21 ILE A 99 1.126 5.772 4.453 1.00 0.00 H new ATOM 0 HG22 ILE A 99 2.497 4.637 4.466 1.00 0.00 H new ATOM 0 HG23 ILE A 99 0.988 4.220 5.313 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -0.323 7.944 7.126 1.00 0.00 H new ATOM 0 HD12 ILE A 99 1.269 8.314 6.422 1.00 0.00 H new ATOM 0 HD13 ILE A 99 0.097 7.336 5.507 1.00 0.00 H new ATOM 1530 N ILE A 100 5.057 4.705 5.956 1.00 0.00 N ATOM 1531 CA ILE A 100 6.130 4.163 5.131 1.00 0.00 C ATOM 1532 C ILE A 100 6.487 2.743 5.556 1.00 0.00 C ATOM 1533 O ILE A 100 6.565 1.836 4.727 1.00 0.00 O ATOM 1534 CB ILE A 100 7.393 5.041 5.202 1.00 0.00 C ATOM 1535 CG1 ILE A 100 7.139 6.394 4.534 1.00 0.00 C ATOM 1536 CG2 ILE A 100 8.569 4.333 4.547 1.00 0.00 C ATOM 1537 CD1 ILE A 100 7.984 7.515 5.099 1.00 0.00 C ATOM 0 H ILE A 100 5.189 5.677 6.236 1.00 0.00 H new ATOM 0 HA ILE A 100 5.763 4.151 4.105 1.00 0.00 H new ATOM 0 HB ILE A 100 7.637 5.215 6.250 1.00 0.00 H new ATOM 0 HG12 ILE A 100 7.335 6.305 3.465 1.00 0.00 H new ATOM 0 HG13 ILE A 100 6.086 6.653 4.644 1.00 0.00 H new ATOM 0 HG21 ILE A 100 9.454 4.967 4.606 1.00 0.00 H new ATOM 0 HG22 ILE A 100 8.761 3.393 5.064 1.00 0.00 H new ATOM 0 HG23 ILE A 100 8.336 4.131 3.502 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.751 8.444 4.578 1.00 0.00 H new ATOM 0 HD12 ILE A 100 7.771 7.631 6.162 1.00 0.00 H new ATOM 0 HD13 ILE A 100 9.039 7.278 4.964 1.00 0.00 H new ATOM 1549 N THR A 101 6.700 2.556 6.855 1.00 0.00 N ATOM 1550 CA THR A 101 7.048 1.247 7.391 1.00 0.00 C ATOM 1551 C THR A 101 6.022 0.195 6.983 1.00 0.00 C ATOM 1552 O THR A 101 6.379 -0.882 6.504 1.00 0.00 O ATOM 1553 CB THR A 101 7.152 1.278 8.928 1.00 0.00 C ATOM 1554 OG1 THR A 101 7.981 2.369 9.341 1.00 0.00 O ATOM 1555 CG2 THR A 101 7.723 -0.029 9.458 1.00 0.00 C ATOM 0 H THR A 101 6.637 3.295 7.555 1.00 0.00 H new ATOM 0 HA THR A 101 8.020 0.983 6.974 1.00 0.00 H new ATOM 0 HB THR A 101 6.150 1.410 9.335 1.00 0.00 H new ATOM 0 HG1 THR A 101 7.450 3.193 9.364 1.00 0.00 H new ATOM 0 HG21 THR A 101 7.787 0.016 10.545 1.00 0.00 H new ATOM 0 HG22 THR A 101 7.073 -0.854 9.167 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.718 -0.186 9.042 1.00 0.00 H new ATOM 1563 N TYR A 102 4.747 0.515 7.175 1.00 0.00 N ATOM 1564 CA TYR A 102 3.669 -0.404 6.830 1.00 0.00 C ATOM 1565 C TYR A 102 3.735 -0.791 5.355 1.00 0.00 C ATOM 1566 O TYR A 102 3.960 -1.952 5.015 1.00 0.00 O ATOM 1567 CB TYR A 102 2.311 0.229 7.142 1.00 0.00 C ATOM 1568 CG TYR A 102 1.163 -0.755 7.114 1.00 0.00 C ATOM 1569 CD1 TYR A 102 0.861 -1.468 5.961 1.00 0.00 C ATOM 1570 CD2 TYR A 102 0.382 -0.972 8.243 1.00 0.00 C ATOM 1571 CE1 TYR A 102 -0.187 -2.367 5.932 1.00 0.00 C ATOM 1572 CE2 TYR A 102 -0.667 -1.871 8.223 1.00 0.00 C ATOM 1573 CZ TYR A 102 -0.948 -2.565 7.065 1.00 0.00 C ATOM 1574 OH TYR A 102 -1.992 -3.462 7.040 1.00 0.00 O ATOM 0 H TYR A 102 4.435 1.403 7.567 1.00 0.00 H new ATOM 0 HA TYR A 102 3.788 -1.306 7.430 1.00 0.00 H new ATOM 0 HB2 TYR A 102 2.355 0.696 8.126 1.00 0.00 H new ATOM 0 HB3 TYR A 102 2.116 1.023 6.421 1.00 0.00 H new ATOM 0 HD1 TYR A 102 1.456 -1.317 5.072 1.00 0.00 H new ATOM 0 HD2 TYR A 102 0.599 -0.429 9.151 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -0.409 -2.912 5.027 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -1.264 -2.029 9.109 1.00 0.00 H new ATOM 0 HH TYR A 102 -2.840 -2.980 7.136 1.00 0.00 H new ATOM 1584 N VAL A 103 3.537 0.193 4.483 1.00 0.00 N ATOM 1585 CA VAL A 103 3.576 -0.042 3.044 1.00 0.00 C ATOM 1586 C VAL A 103 4.831 -0.811 2.647 1.00 0.00 C ATOM 1587 O VAL A 103 4.798 -1.647 1.745 1.00 0.00 O ATOM 1588 CB VAL A 103 3.527 1.282 2.259 1.00 0.00 C ATOM 1589 CG1 VAL A 103 4.677 2.189 2.668 1.00 0.00 C ATOM 1590 CG2 VAL A 103 3.556 1.013 0.761 1.00 0.00 C ATOM 0 H VAL A 103 3.348 1.160 4.748 1.00 0.00 H new ATOM 0 HA VAL A 103 2.697 -0.636 2.795 1.00 0.00 H new ATOM 0 HB VAL A 103 2.593 1.791 2.497 1.00 0.00 H new ATOM 0 HG11 VAL A 103 4.625 3.119 2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.607 2.408 3.734 1.00 0.00 H new ATOM 0 HG13 VAL A 103 5.624 1.691 2.461 1.00 0.00 H new ATOM 0 HG21 VAL A 103 3.521 1.959 0.221 1.00 0.00 H new ATOM 0 HG22 VAL A 103 4.473 0.482 0.504 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.695 0.405 0.484 1.00 0.00 H new ATOM 1600 N ALA A 104 5.935 -0.522 3.326 1.00 0.00 N ATOM 1601 CA ALA A 104 7.201 -1.188 3.046 1.00 0.00 C ATOM 1602 C ALA A 104 7.013 -2.696 2.922 1.00 0.00 C ATOM 1603 O ALA A 104 7.655 -3.348 2.098 1.00 0.00 O ATOM 1604 CB ALA A 104 8.218 -0.868 4.132 1.00 0.00 C ATOM 0 H ALA A 104 5.979 0.169 4.075 1.00 0.00 H new ATOM 0 HA ALA A 104 7.575 -0.816 2.092 1.00 0.00 H new ATOM 0 HB1 ALA A 104 9.158 -1.372 3.910 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.383 0.209 4.170 1.00 0.00 H new ATOM 0 HB3 ALA A 104 7.841 -1.211 5.096 1.00 0.00 H new ATOM 1610 N THR A 105 6.127 -3.247 3.747 1.00 0.00 N ATOM 1611 CA THR A 105 5.855 -4.678 3.732 1.00 0.00 C ATOM 1612 C THR A 105 5.315 -5.121 2.377 1.00 0.00 C ATOM 1613 O THR A 105 5.713 -6.160 1.849 1.00 0.00 O ATOM 1614 CB THR A 105 4.846 -5.071 4.827 1.00 0.00 C ATOM 1615 OG1 THR A 105 3.590 -4.426 4.589 1.00 0.00 O ATOM 1616 CG2 THR A 105 5.365 -4.686 6.205 1.00 0.00 C ATOM 0 H THR A 105 5.586 -2.722 4.434 1.00 0.00 H new ATOM 0 HA THR A 105 6.803 -5.181 3.925 1.00 0.00 H new ATOM 0 HB THR A 105 4.712 -6.152 4.795 1.00 0.00 H new ATOM 0 HG1 THR A 105 3.742 -3.481 4.380 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.635 -4.973 6.962 1.00 0.00 H new ATOM 0 HG22 THR A 105 6.307 -5.200 6.396 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.525 -3.609 6.246 1.00 0.00 H new ATOM 1624 N TYR A 106 4.408 -4.326 1.819 1.00 0.00 N ATOM 1625 CA TYR A 106 3.812 -4.638 0.526 1.00 0.00 C ATOM 1626 C TYR A 106 4.889 -4.854 -0.532 1.00 0.00 C ATOM 1627 O TYR A 106 4.759 -5.721 -1.398 1.00 0.00 O ATOM 1628 CB TYR A 106 2.871 -3.512 0.091 1.00 0.00 C ATOM 1629 CG TYR A 106 1.478 -3.631 0.666 1.00 0.00 C ATOM 1630 CD1 TYR A 106 1.272 -4.157 1.934 1.00 0.00 C ATOM 1631 CD2 TYR A 106 0.368 -3.218 -0.061 1.00 0.00 C ATOM 1632 CE1 TYR A 106 0.000 -4.269 2.464 1.00 0.00 C ATOM 1633 CE2 TYR A 106 -0.907 -3.324 0.461 1.00 0.00 C ATOM 1634 CZ TYR A 106 -1.086 -3.851 1.724 1.00 0.00 C ATOM 1635 OH TYR A 106 -2.354 -3.959 2.246 1.00 0.00 O ATOM 0 H TYR A 106 4.070 -3.462 2.242 1.00 0.00 H new ATOM 0 HA TYR A 106 3.241 -5.561 0.630 1.00 0.00 H new ATOM 0 HB2 TYR A 106 3.299 -2.556 0.392 1.00 0.00 H new ATOM 0 HB3 TYR A 106 2.806 -3.504 -0.997 1.00 0.00 H new ATOM 0 HD1 TYR A 106 2.120 -4.484 2.517 1.00 0.00 H new ATOM 0 HD2 TYR A 106 0.504 -2.807 -1.051 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -0.142 -4.681 3.452 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -1.759 -2.996 -0.116 1.00 0.00 H new ATOM 0 HH TYR A 106 -3.005 -3.619 1.597 1.00 0.00 H new ATOM 1645 N TYR A 107 5.951 -4.060 -0.457 1.00 0.00 N ATOM 1646 CA TYR A 107 7.050 -4.163 -1.409 1.00 0.00 C ATOM 1647 C TYR A 107 7.893 -5.405 -1.137 1.00 0.00 C ATOM 1648 O TYR A 107 8.123 -6.221 -2.030 1.00 0.00 O ATOM 1649 CB TYR A 107 7.929 -2.912 -1.341 1.00 0.00 C ATOM 1650 CG TYR A 107 9.297 -3.100 -1.956 1.00 0.00 C ATOM 1651 CD1 TYR A 107 9.476 -3.044 -3.332 1.00 0.00 C ATOM 1652 CD2 TYR A 107 10.413 -3.331 -1.160 1.00 0.00 C ATOM 1653 CE1 TYR A 107 10.724 -3.215 -3.899 1.00 0.00 C ATOM 1654 CE2 TYR A 107 11.665 -3.502 -1.718 1.00 0.00 C ATOM 1655 CZ TYR A 107 11.816 -3.444 -3.088 1.00 0.00 C ATOM 1656 OH TYR A 107 13.061 -3.614 -3.647 1.00 0.00 O ATOM 0 H TYR A 107 6.074 -3.338 0.253 1.00 0.00 H new ATOM 0 HA TYR A 107 6.624 -4.247 -2.409 1.00 0.00 H new ATOM 0 HB2 TYR A 107 7.421 -2.093 -1.849 1.00 0.00 H new ATOM 0 HB3 TYR A 107 8.046 -2.616 -0.298 1.00 0.00 H new ATOM 0 HD1 TYR A 107 8.624 -2.863 -3.971 1.00 0.00 H new ATOM 0 HD2 TYR A 107 10.299 -3.378 -0.087 1.00 0.00 H new ATOM 0 HE1 TYR A 107 10.844 -3.170 -4.971 1.00 0.00 H new ATOM 0 HE2 TYR A 107 12.522 -3.680 -1.085 1.00 0.00 H new ATOM 0 HH TYR A 107 13.720 -3.765 -2.938 1.00 0.00 H new ATOM 1666 N HIS A 108 8.351 -5.541 0.103 1.00 0.00 N ATOM 1667 CA HIS A 108 9.166 -6.686 0.495 1.00 0.00 C ATOM 1668 C HIS A 108 8.429 -7.995 0.233 1.00 0.00 C ATOM 1669 O HIS A 108 8.910 -8.853 -0.508 1.00 0.00 O ATOM 1670 CB HIS A 108 9.544 -6.587 1.974 1.00 0.00 C ATOM 1671 CG HIS A 108 10.663 -5.628 2.244 1.00 0.00 C ATOM 1672 ND1 HIS A 108 11.991 -6.002 2.243 1.00 0.00 N ATOM 1673 CD2 HIS A 108 10.647 -4.304 2.521 1.00 0.00 C ATOM 1674 CE1 HIS A 108 12.742 -4.948 2.511 1.00 0.00 C ATOM 1675 NE2 HIS A 108 11.951 -3.905 2.683 1.00 0.00 N ATOM 0 H HIS A 108 8.172 -4.874 0.853 1.00 0.00 H new ATOM 0 HA HIS A 108 10.075 -6.676 -0.107 1.00 0.00 H new ATOM 0 HB2 HIS A 108 8.668 -6.280 2.545 1.00 0.00 H new ATOM 0 HB3 HIS A 108 9.829 -7.575 2.335 1.00 0.00 H new ATOM 0 HD2 HIS A 108 9.771 -3.677 2.600 1.00 0.00 H new ATOM 0 HE1 HIS A 108 13.820 -4.941 2.578 1.00 0.00 H new ATOM 0 HE2 HIS A 108 12.258 -2.957 2.901 1.00 0.00 H new ATOM 1684 N TYR A 109 7.259 -8.142 0.845 1.00 0.00 N ATOM 1685 CA TYR A 109 6.456 -9.347 0.680 1.00 0.00 C ATOM 1686 C TYR A 109 6.396 -9.766 -0.785 1.00 0.00 C ATOM 1687 O TYR A 109 6.927 -10.808 -1.169 1.00 0.00 O ATOM 1688 CB TYR A 109 5.042 -9.122 1.217 1.00 0.00 C ATOM 1689 CG TYR A 109 4.071 -10.221 0.849 1.00 0.00 C ATOM 1690 CD1 TYR A 109 3.415 -10.213 -0.376 1.00 0.00 C ATOM 1691 CD2 TYR A 109 3.811 -11.268 1.725 1.00 0.00 C ATOM 1692 CE1 TYR A 109 2.526 -11.216 -0.716 1.00 0.00 C ATOM 1693 CE2 TYR A 109 2.926 -12.275 1.392 1.00 0.00 C ATOM 1694 CZ TYR A 109 2.286 -12.244 0.171 1.00 0.00 C ATOM 1695 OH TYR A 109 1.403 -13.244 -0.164 1.00 0.00 O ATOM 0 H TYR A 109 6.846 -7.441 1.460 1.00 0.00 H new ATOM 0 HA TYR A 109 6.929 -10.148 1.248 1.00 0.00 H new ATOM 0 HB2 TYR A 109 5.085 -9.035 2.303 1.00 0.00 H new ATOM 0 HB3 TYR A 109 4.665 -8.173 0.836 1.00 0.00 H new ATOM 0 HD1 TYR A 109 3.603 -9.410 -1.074 1.00 0.00 H new ATOM 0 HD2 TYR A 109 4.309 -11.295 2.683 1.00 0.00 H new ATOM 0 HE1 TYR A 109 2.022 -11.194 -1.671 1.00 0.00 H new ATOM 0 HE2 TYR A 109 2.736 -13.082 2.084 1.00 0.00 H new ATOM 0 HH TYR A 109 1.348 -13.891 0.570 1.00 0.00 H new ATOM 1705 N PHE A 110 5.744 -8.944 -1.601 1.00 0.00 N ATOM 1706 CA PHE A 110 5.613 -9.228 -3.026 1.00 0.00 C ATOM 1707 C PHE A 110 6.978 -9.472 -3.661 1.00 0.00 C ATOM 1708 O PHE A 110 7.142 -10.377 -4.478 1.00 0.00 O ATOM 1709 CB PHE A 110 4.909 -8.068 -3.735 1.00 0.00 C ATOM 1710 CG PHE A 110 3.415 -8.217 -3.789 1.00 0.00 C ATOM 1711 CD1 PHE A 110 2.832 -9.200 -4.572 1.00 0.00 C ATOM 1712 CD2 PHE A 110 2.595 -7.374 -3.058 1.00 0.00 C ATOM 1713 CE1 PHE A 110 1.457 -9.339 -4.624 1.00 0.00 C ATOM 1714 CE2 PHE A 110 1.220 -7.507 -3.106 1.00 0.00 C ATOM 1715 CZ PHE A 110 0.650 -8.492 -3.889 1.00 0.00 C ATOM 0 H PHE A 110 5.299 -8.077 -1.301 1.00 0.00 H new ATOM 0 HA PHE A 110 5.014 -10.132 -3.137 1.00 0.00 H new ATOM 0 HB2 PHE A 110 5.155 -7.137 -3.224 1.00 0.00 H new ATOM 0 HB3 PHE A 110 5.295 -7.986 -4.751 1.00 0.00 H new ATOM 0 HD1 PHE A 110 3.458 -9.865 -5.148 1.00 0.00 H new ATOM 0 HD2 PHE A 110 3.035 -6.603 -2.443 1.00 0.00 H new ATOM 0 HE1 PHE A 110 1.014 -10.109 -5.239 1.00 0.00 H new ATOM 0 HE2 PHE A 110 0.592 -6.842 -2.532 1.00 0.00 H new ATOM 0 HZ PHE A 110 -0.424 -8.600 -3.927 1.00 0.00 H new ATOM 1725 N SER A 111 7.957 -8.657 -3.278 1.00 0.00 N ATOM 1726 CA SER A 111 9.309 -8.782 -3.812 1.00 0.00 C ATOM 1727 C SER A 111 9.843 -10.196 -3.611 1.00 0.00 C ATOM 1728 O SER A 111 10.354 -10.818 -4.543 1.00 0.00 O ATOM 1729 CB SER A 111 10.240 -7.771 -3.139 1.00 0.00 C ATOM 1730 OG SER A 111 11.542 -7.829 -3.695 1.00 0.00 O ATOM 0 H SER A 111 7.839 -7.904 -2.600 1.00 0.00 H new ATOM 0 HA SER A 111 9.273 -8.575 -4.882 1.00 0.00 H new ATOM 0 HB2 SER A 111 9.836 -6.766 -3.256 1.00 0.00 H new ATOM 0 HB3 SER A 111 10.289 -7.973 -2.069 1.00 0.00 H new ATOM 0 HG SER A 111 12.118 -7.173 -3.249 1.00 0.00 H new ATOM 1736 N LYS A 112 9.723 -10.700 -2.387 1.00 0.00 N ATOM 1737 CA LYS A 112 10.193 -12.040 -2.061 1.00 0.00 C ATOM 1738 C LYS A 112 9.849 -13.024 -3.175 1.00 0.00 C ATOM 1739 O LYS A 112 10.677 -13.843 -3.571 1.00 0.00 O ATOM 1740 CB LYS A 112 9.576 -12.513 -0.742 1.00 0.00 C ATOM 1741 CG LYS A 112 10.007 -11.688 0.460 1.00 0.00 C ATOM 1742 CD LYS A 112 11.314 -12.196 1.044 1.00 0.00 C ATOM 1743 CE LYS A 112 12.514 -11.512 0.407 1.00 0.00 C ATOM 1744 NZ LYS A 112 13.718 -11.579 1.278 1.00 0.00 N ATOM 0 H LYS A 112 9.303 -10.199 -1.604 1.00 0.00 H new ATOM 0 HA LYS A 112 11.277 -12.001 -1.956 1.00 0.00 H new ATOM 0 HB2 LYS A 112 8.490 -12.479 -0.825 1.00 0.00 H new ATOM 0 HB3 LYS A 112 9.850 -13.555 -0.575 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.120 -10.645 0.165 1.00 0.00 H new ATOM 0 HG3 LYS A 112 9.229 -11.721 1.223 1.00 0.00 H new ATOM 0 HD2 LYS A 112 11.324 -12.023 2.120 1.00 0.00 H new ATOM 0 HD3 LYS A 112 11.386 -13.273 0.894 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.733 -11.982 -0.552 1.00 0.00 H new ATOM 0 HE3 LYS A 112 12.271 -10.469 0.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 14.514 -11.102 0.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 13.518 -11.108 2.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 13.965 -12.574 1.452 1.00 0.00 H new