USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 928 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 63 MET CE :methyl -149:sc= -4.52! (180deg=-4.51) USER MOD Set 1.2: A 151 THR OG1 : rot -88:sc= -0.929 USER MOD Set 2.1: A 132 HIS : no HE2:sc= -2.36 K(o=-1.2,f=-3.9!) USER MOD Set 2.2: A 135 THR OG1 : rot 144:sc= 1.16 USER MOD Set 3.1: A 67 HIS : no HD1:sc= 0.124 K(o=1.7,f=-0.2) USER MOD Set 3.2: A 108 SER OG : rot -113:sc= 1.32 USER MOD Set 3.3: A 111 THR OG1 : rot -107:sc= 0.287 USER MOD Set 4.1: A 93 MET CE :methyl -128:sc= -6.14! (180deg=-4.82!) USER MOD Set 4.2: A 110 MET CE :methyl -168:sc= -2.19! (180deg=-3.23!) USER MOD Set 5.1: A 41 GLN : amide:sc= -1.62 K(o=-0.92,f=-6!) USER MOD Set 5.2: A 84 LYS NZ :NH3+ 163:sc= 0.694 (180deg=0) USER MOD Set 6.1: A 78 THR OG1 : rot 167:sc= 2.33 USER MOD Set 6.2: A 81 LYS NZ :NH3+ -106:sc= 1.66 (180deg=1.12) USER MOD Set 7.1: A 72 ASN : amide:sc= -2.78! C(o=-2.2!,f=-8.8!) USER MOD Set 7.2: A 114 LYS NZ :NH3+ -167:sc= 0.612 (180deg=0.397) USER MOD Set 8.1: A 35 SER OG : rot -110:sc= -0.385 USER MOD Set 8.2: A 65 SER OG : rot 140:sc= -1.26 USER MOD Set 8.3: A 154 LYS NZ :NH3+ -165:sc= -0.101 (180deg=-0.447) USER MOD Single : A 28 THR OG1 : rot 32:sc= 0.294 USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 36 CYS SG : rot -171:sc= -5.97! USER MOD Single : A 37 TYR OH : rot 30:sc= -0.379 USER MOD Single : A 45 LYS NZ :NH3+ -146:sc= 1.22 (180deg=-0.186) USER MOD Single : A 48 SER OG : rot -67:sc= 0.941 USER MOD Single : A 54 ASN : amide:sc= -1.05 K(o=-1.1,f=-1.7) USER MOD Single : A 55 GLN : amide:sc= -3.97! C(o=-4!,f=-4.3!) USER MOD Single : A 57 THR OG1 : rot 160:sc= -1.97! USER MOD Single : A 59 HIS :FLIP no HE2:sc= -0.791 F(o=-1.4,f=-0.79) USER MOD Single : A 68 ASN : amide:sc= -0.411 X(o=-0.41,f=-0.41) USER MOD Single : A 80 LYS NZ :NH3+ 142:sc= 0.308 (180deg=-1.14!) USER MOD Single : A 82 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.00085) USER MOD Single : A 95 TYR OH : rot 180:sc= -0.245 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.00335 USER MOD Single : A 101 SER OG : rot 180:sc= -0.0102 USER MOD Single : A 103 LYS NZ :NH3+ -173:sc= 1.69 (180deg=1.43) USER MOD Single : A 107 ASN : amide:sc= -0.385 X(o=-0.38,f=0) USER MOD Single : A 109 ASN : amide:sc= -0.0801 K(o=-0.08,f=-1.1) USER MOD Single : A 116 THR OG1 : rot 129:sc= 1.22 USER MOD Single : A 127 THR OG1 : rot 180:sc= -0.0859 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 LYS NZ :NH3+ 174:sc= 1.24 (180deg=1.18) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 ASN :FLIP amide:sc= -1.75 F(o=-5!,f=-1.7) USER MOD Single : A 146 SER OG : rot -39:sc= 0.961 USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 155 THR OG1 : rot 117:sc= 0.874 USER MOD ----------------------------------------------------------------- ATOM 78 N THR A 28 0.473 -15.134 -3.383 1.00 0.00 N ATOM 79 CA THR A 28 0.592 -13.724 -3.665 1.00 0.00 C ATOM 80 C THR A 28 0.503 -12.917 -2.346 1.00 0.00 C ATOM 81 O THR A 28 0.891 -11.746 -2.282 1.00 0.00 O ATOM 82 CB THR A 28 -0.546 -13.314 -4.614 1.00 0.00 C ATOM 83 OG1 THR A 28 -0.557 -14.214 -5.735 1.00 0.00 O ATOM 84 CG2 THR A 28 -0.360 -11.898 -5.118 1.00 0.00 C ATOM 0 HA THR A 28 1.554 -13.517 -4.135 1.00 0.00 H new ATOM 0 HB THR A 28 -1.488 -13.361 -4.068 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.257 -15.101 -5.445 1.00 0.00 H new ATOM 0 HG21 THR A 28 -1.181 -11.639 -5.786 1.00 0.00 H new ATOM 0 HG22 THR A 28 -0.349 -11.210 -4.273 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.584 -11.825 -5.658 1.00 0.00 H new ATOM 92 N TRP A 29 0.021 -13.578 -1.306 1.00 0.00 N ATOM 93 CA TRP A 29 -0.128 -12.992 -0.017 1.00 0.00 C ATOM 94 C TRP A 29 1.122 -13.222 0.782 1.00 0.00 C ATOM 95 O TRP A 29 1.688 -14.323 0.774 1.00 0.00 O ATOM 96 CB TRP A 29 -1.321 -13.583 0.693 1.00 0.00 C ATOM 97 CG TRP A 29 -2.622 -13.176 0.134 1.00 0.00 C ATOM 98 CD1 TRP A 29 -3.195 -13.632 -0.975 1.00 0.00 C ATOM 99 CD2 TRP A 29 -3.508 -12.239 0.686 1.00 0.00 C ATOM 100 NE1 TRP A 29 -4.393 -13.031 -1.171 1.00 0.00 N ATOM 101 CE2 TRP A 29 -4.606 -12.158 -0.153 1.00 0.00 C ATOM 102 CE3 TRP A 29 -3.465 -11.466 1.807 1.00 0.00 C ATOM 103 CZ2 TRP A 29 -5.664 -11.315 0.101 1.00 0.00 C ATOM 104 CZ3 TRP A 29 -4.526 -10.617 2.073 1.00 0.00 C ATOM 105 CH2 TRP A 29 -5.608 -10.552 1.217 1.00 0.00 C ATOM 0 H TRP A 29 -0.278 -14.552 -1.352 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.292 -11.920 -0.126 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -1.248 -14.670 0.658 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.284 -13.294 1.743 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.766 -14.377 -1.628 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.027 -13.205 -1.951 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -2.619 -11.515 2.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -6.510 -11.264 -0.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.507 -9.999 2.959 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.423 -9.881 1.442 1.00 0.00 H new ATOM 116 N ILE A 30 1.560 -12.194 1.424 1.00 0.00 N ATOM 117 CA ILE A 30 2.783 -12.194 2.162 1.00 0.00 C ATOM 118 C ILE A 30 2.528 -12.007 3.649 1.00 0.00 C ATOM 119 O ILE A 30 2.002 -10.991 4.069 1.00 0.00 O ATOM 120 CB ILE A 30 3.693 -11.091 1.581 1.00 0.00 C ATOM 121 CG1 ILE A 30 3.966 -11.463 0.123 1.00 0.00 C ATOM 122 CG2 ILE A 30 4.987 -10.930 2.372 1.00 0.00 C ATOM 123 CD1 ILE A 30 4.889 -10.564 -0.580 1.00 0.00 C ATOM 0 H ILE A 30 1.065 -11.303 1.453 1.00 0.00 H new ATOM 0 HA ILE A 30 3.283 -13.158 2.064 1.00 0.00 H new ATOM 0 HB ILE A 30 3.196 -10.123 1.647 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.371 -12.474 0.091 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.019 -11.482 -0.416 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.592 -10.142 1.923 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.753 -10.665 3.403 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.542 -11.868 2.356 1.00 0.00 H new ATOM 0 HD11 ILE A 30 5.021 -10.908 -1.606 1.00 0.00 H new ATOM 0 HD12 ILE A 30 4.479 -9.554 -0.586 1.00 0.00 H new ATOM 0 HD13 ILE A 30 5.853 -10.562 -0.071 1.00 0.00 H new ATOM 135 N GLN A 31 2.878 -12.998 4.426 1.00 0.00 N ATOM 136 CA GLN A 31 2.641 -12.974 5.853 1.00 0.00 C ATOM 137 C GLN A 31 3.781 -12.278 6.555 1.00 0.00 C ATOM 138 O GLN A 31 4.959 -12.621 6.361 1.00 0.00 O ATOM 139 CB GLN A 31 2.514 -14.389 6.394 1.00 0.00 C ATOM 140 CG GLN A 31 2.106 -14.488 7.825 1.00 0.00 C ATOM 141 CD GLN A 31 2.110 -15.911 8.275 1.00 0.00 C ATOM 142 OE1 GLN A 31 1.884 -16.835 7.492 1.00 0.00 O ATOM 143 NE2 GLN A 31 2.368 -16.098 9.505 1.00 0.00 N ATOM 0 H GLN A 31 3.335 -13.846 4.092 1.00 0.00 H new ATOM 0 HA GLN A 31 1.712 -12.434 6.037 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.787 -14.929 5.787 1.00 0.00 H new ATOM 0 HB3 GLN A 31 3.471 -14.895 6.270 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.786 -13.903 8.444 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.111 -14.062 7.955 1.00 0.00 H new ATOM 0 HE21 GLN A 31 2.549 -15.301 10.115 1.00 0.00 H new ATOM 0 HE22 GLN A 31 2.394 -17.045 9.882 1.00 0.00 H new ATOM 152 N PHE A 32 3.447 -11.315 7.356 1.00 0.00 N ATOM 153 CA PHE A 32 4.402 -10.598 8.093 1.00 0.00 C ATOM 154 C PHE A 32 3.847 -10.307 9.478 1.00 0.00 C ATOM 155 O PHE A 32 2.747 -9.740 9.615 1.00 0.00 O ATOM 156 CB PHE A 32 4.744 -9.348 7.333 1.00 0.00 C ATOM 157 CG PHE A 32 5.824 -8.518 7.911 1.00 0.00 C ATOM 158 CD1 PHE A 32 7.144 -8.919 7.827 1.00 0.00 C ATOM 159 CD2 PHE A 32 5.525 -7.326 8.498 1.00 0.00 C ATOM 160 CE1 PHE A 32 8.150 -8.130 8.329 1.00 0.00 C ATOM 161 CE2 PHE A 32 6.521 -6.520 8.996 1.00 0.00 C ATOM 162 CZ PHE A 32 7.842 -6.927 8.910 1.00 0.00 C ATOM 0 H PHE A 32 2.485 -11.011 7.508 1.00 0.00 H new ATOM 0 HA PHE A 32 5.319 -11.172 8.227 1.00 0.00 H new ATOM 0 HB2 PHE A 32 5.030 -9.629 6.319 1.00 0.00 H new ATOM 0 HB3 PHE A 32 3.845 -8.737 7.253 1.00 0.00 H new ATOM 0 HD1 PHE A 32 7.387 -9.863 7.362 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.495 -7.011 8.573 1.00 0.00 H new ATOM 0 HE1 PHE A 32 9.178 -8.455 8.266 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.274 -5.573 9.453 1.00 0.00 H new ATOM 0 HZ PHE A 32 8.628 -6.298 9.300 1.00 0.00 H new ATOM 172 N GLN A 33 4.596 -10.746 10.481 1.00 0.00 N ATOM 173 CA GLN A 33 4.285 -10.638 11.904 1.00 0.00 C ATOM 174 C GLN A 33 3.021 -11.406 12.296 1.00 0.00 C ATOM 175 O GLN A 33 3.090 -12.490 12.891 1.00 0.00 O ATOM 176 CB GLN A 33 4.230 -9.183 12.383 1.00 0.00 C ATOM 177 CG GLN A 33 5.521 -8.425 12.141 1.00 0.00 C ATOM 178 CD GLN A 33 5.531 -7.051 12.767 1.00 0.00 C ATOM 179 OE1 GLN A 33 4.497 -6.396 12.924 1.00 0.00 O ATOM 180 NE2 GLN A 33 6.692 -6.602 13.123 1.00 0.00 N ATOM 0 H GLN A 33 5.487 -11.214 10.316 1.00 0.00 H new ATOM 0 HA GLN A 33 5.116 -11.116 12.423 1.00 0.00 H new ATOM 0 HB2 GLN A 33 3.414 -8.670 11.873 1.00 0.00 H new ATOM 0 HB3 GLN A 33 4.001 -9.166 13.449 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.355 -9.004 12.538 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.683 -8.329 11.067 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.526 -7.172 12.978 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.773 -5.679 13.549 1.00 0.00 H new ATOM 189 N ASP A 34 1.892 -10.863 11.952 1.00 0.00 N ATOM 190 CA ASP A 34 0.605 -11.449 12.296 1.00 0.00 C ATOM 191 C ASP A 34 -0.450 -11.014 11.299 1.00 0.00 C ATOM 192 O ASP A 34 -1.664 -11.169 11.526 1.00 0.00 O ATOM 193 CB ASP A 34 0.191 -11.062 13.732 1.00 0.00 C ATOM 194 CG ASP A 34 0.094 -9.556 13.966 1.00 0.00 C ATOM 195 OD1 ASP A 34 1.132 -8.919 14.285 1.00 0.00 O ATOM 196 OD2 ASP A 34 -1.014 -8.979 13.852 1.00 0.00 O ATOM 0 H ASP A 34 1.824 -9.995 11.421 1.00 0.00 H new ATOM 0 HA ASP A 34 0.697 -12.534 12.255 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -0.774 -11.517 13.956 1.00 0.00 H new ATOM 0 HB3 ASP A 34 0.912 -11.483 14.433 1.00 0.00 H new ATOM 201 N SER A 35 0.010 -10.521 10.182 1.00 0.00 N ATOM 202 CA SER A 35 -0.853 -10.053 9.148 1.00 0.00 C ATOM 203 C SER A 35 -0.397 -10.592 7.819 1.00 0.00 C ATOM 204 O SER A 35 0.701 -11.136 7.709 1.00 0.00 O ATOM 205 CB SER A 35 -0.835 -8.536 9.088 1.00 0.00 C ATOM 206 OG SER A 35 -1.256 -7.960 10.314 1.00 0.00 O ATOM 0 H SER A 35 1.004 -10.435 9.968 1.00 0.00 H new ATOM 0 HA SER A 35 -1.864 -10.397 9.365 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.172 -8.193 8.851 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.486 -8.195 8.283 1.00 0.00 H new ATOM 0 HG SER A 35 -2.132 -7.538 10.193 1.00 0.00 H new ATOM 212 N CYS A 36 -1.222 -10.438 6.831 1.00 0.00 N ATOM 213 CA CYS A 36 -0.891 -10.847 5.509 1.00 0.00 C ATOM 214 C CYS A 36 -1.131 -9.702 4.584 1.00 0.00 C ATOM 215 O CYS A 36 -2.041 -8.882 4.787 1.00 0.00 O ATOM 216 CB CYS A 36 -1.658 -12.073 5.107 1.00 0.00 C ATOM 217 SG CYS A 36 -0.880 -12.994 3.774 1.00 0.00 S ATOM 0 H CYS A 36 -2.149 -10.022 6.923 1.00 0.00 H new ATOM 0 HA CYS A 36 0.162 -11.125 5.461 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.768 -12.725 5.974 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.662 -11.780 4.799 1.00 0.00 H new ATOM 0 HG CYS A 36 -1.689 -13.923 3.359 1.00 0.00 H new ATOM 222 N TYR A 37 -0.270 -9.623 3.641 1.00 0.00 N ATOM 223 CA TYR A 37 -0.134 -8.527 2.757 1.00 0.00 C ATOM 224 C TYR A 37 -0.287 -8.919 1.318 1.00 0.00 C ATOM 225 O TYR A 37 0.135 -9.985 0.922 1.00 0.00 O ATOM 226 CB TYR A 37 1.253 -8.000 2.978 1.00 0.00 C ATOM 227 CG TYR A 37 1.441 -7.332 4.272 1.00 0.00 C ATOM 228 CD1 TYR A 37 1.647 -8.063 5.374 1.00 0.00 C ATOM 229 CD2 TYR A 37 1.412 -5.993 4.369 1.00 0.00 C ATOM 230 CE1 TYR A 37 1.829 -7.506 6.596 1.00 0.00 C ATOM 231 CE2 TYR A 37 1.589 -5.374 5.578 1.00 0.00 C ATOM 232 CZ TYR A 37 1.797 -6.133 6.703 1.00 0.00 C ATOM 233 OH TYR A 37 2.002 -5.515 7.909 1.00 0.00 O ATOM 0 H TYR A 37 0.401 -10.368 3.453 1.00 0.00 H new ATOM 0 HA TYR A 37 -0.913 -7.792 2.958 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.960 -8.826 2.901 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.495 -7.298 2.180 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.669 -9.139 5.286 1.00 0.00 H new ATOM 0 HD2 TYR A 37 1.247 -5.397 3.483 1.00 0.00 H new ATOM 0 HE1 TYR A 37 1.995 -8.124 7.466 1.00 0.00 H new ATOM 0 HE2 TYR A 37 1.565 -4.296 5.646 1.00 0.00 H new ATOM 0 HH TYR A 37 2.597 -6.064 8.461 1.00 0.00 H new ATOM 243 N ILE A 38 -0.909 -8.072 0.551 1.00 0.00 N ATOM 244 CA ILE A 38 -1.033 -8.286 -0.868 1.00 0.00 C ATOM 245 C ILE A 38 -1.115 -6.950 -1.606 1.00 0.00 C ATOM 246 O ILE A 38 -1.762 -6.026 -1.128 1.00 0.00 O ATOM 247 CB ILE A 38 -2.230 -9.204 -1.220 1.00 0.00 C ATOM 248 CG1 ILE A 38 -2.259 -9.493 -2.725 1.00 0.00 C ATOM 249 CG2 ILE A 38 -3.540 -8.602 -0.740 1.00 0.00 C ATOM 250 CD1 ILE A 38 -3.346 -10.442 -3.150 1.00 0.00 C ATOM 0 H ILE A 38 -1.345 -7.214 0.887 1.00 0.00 H new ATOM 0 HA ILE A 38 -0.136 -8.807 -1.201 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.102 -10.153 -0.700 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -2.383 -8.552 -3.262 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -1.295 -9.905 -3.023 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.363 -9.267 -1.000 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.506 -8.473 0.342 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.692 -7.634 -1.217 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.296 -10.593 -4.228 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.213 -11.398 -2.644 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.318 -10.024 -2.886 1.00 0.00 H new ATOM 262 N PHE A 39 -0.411 -6.817 -2.712 1.00 0.00 N ATOM 263 CA PHE A 39 -0.532 -5.620 -3.514 1.00 0.00 C ATOM 264 C PHE A 39 -1.286 -5.976 -4.691 1.00 0.00 C ATOM 265 O PHE A 39 -0.922 -6.917 -5.411 1.00 0.00 O ATOM 266 CB PHE A 39 0.775 -5.113 -4.032 1.00 0.00 C ATOM 267 CG PHE A 39 0.816 -3.638 -4.256 1.00 0.00 C ATOM 268 CD1 PHE A 39 0.716 -2.778 -3.200 1.00 0.00 C ATOM 269 CD2 PHE A 39 0.968 -3.118 -5.507 1.00 0.00 C ATOM 270 CE1 PHE A 39 0.757 -1.415 -3.382 1.00 0.00 C ATOM 271 CE2 PHE A 39 1.013 -1.749 -5.697 1.00 0.00 C ATOM 272 CZ PHE A 39 0.904 -0.902 -4.637 1.00 0.00 C ATOM 0 H PHE A 39 0.242 -7.513 -3.071 1.00 0.00 H new ATOM 0 HA PHE A 39 -0.985 -4.856 -2.882 1.00 0.00 H new ATOM 0 HB2 PHE A 39 1.561 -5.384 -3.328 1.00 0.00 H new ATOM 0 HB3 PHE A 39 1.001 -5.618 -4.971 1.00 0.00 H new ATOM 0 HD1 PHE A 39 0.602 -3.176 -2.202 1.00 0.00 H new ATOM 0 HD2 PHE A 39 1.054 -3.780 -6.356 1.00 0.00 H new ATOM 0 HE1 PHE A 39 0.673 -0.753 -2.533 1.00 0.00 H new ATOM 0 HE2 PHE A 39 1.135 -1.349 -6.693 1.00 0.00 H new ATOM 0 HZ PHE A 39 0.934 0.167 -4.789 1.00 0.00 H new ATOM 282 N LEU A 40 -2.310 -5.314 -4.904 1.00 0.00 N ATOM 283 CA LEU A 40 -3.014 -5.518 -6.037 1.00 0.00 C ATOM 284 C LEU A 40 -3.132 -4.254 -6.780 1.00 0.00 C ATOM 285 O LEU A 40 -3.868 -3.353 -6.387 1.00 0.00 O ATOM 286 CB LEU A 40 -4.351 -6.301 -5.855 1.00 0.00 C ATOM 287 CG LEU A 40 -5.215 -6.124 -4.573 1.00 0.00 C ATOM 288 CD1 LEU A 40 -4.492 -6.602 -3.347 1.00 0.00 C ATOM 289 CD2 LEU A 40 -5.725 -4.704 -4.387 1.00 0.00 C ATOM 0 H LEU A 40 -2.686 -4.601 -4.279 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.446 -6.214 -6.654 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.986 -6.051 -6.705 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.113 -7.362 -5.936 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.094 -6.753 -4.717 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.127 -6.462 -2.472 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.252 -7.660 -3.456 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.572 -6.032 -3.222 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.320 -4.648 -3.476 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.879 -4.021 -4.311 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.342 -4.424 -5.241 1.00 0.00 H new ATOM 301 N GLN A 41 -2.281 -4.091 -7.746 1.00 0.00 N ATOM 302 CA GLN A 41 -2.447 -2.968 -8.604 1.00 0.00 C ATOM 303 C GLN A 41 -3.717 -3.117 -9.449 1.00 0.00 C ATOM 304 O GLN A 41 -3.725 -3.758 -10.515 1.00 0.00 O ATOM 305 CB GLN A 41 -1.215 -2.736 -9.463 1.00 0.00 C ATOM 306 CG GLN A 41 -0.064 -2.242 -8.640 1.00 0.00 C ATOM 307 CD GLN A 41 1.201 -1.984 -9.403 1.00 0.00 C ATOM 308 OE1 GLN A 41 1.169 -1.663 -10.598 1.00 0.00 O ATOM 309 NE2 GLN A 41 2.342 -2.097 -8.730 1.00 0.00 N ATOM 0 H GLN A 41 -1.490 -4.701 -7.953 1.00 0.00 H new ATOM 0 HA GLN A 41 -2.566 -2.080 -7.983 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.937 -3.664 -9.962 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -1.444 -2.011 -10.244 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.363 -1.320 -8.142 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.144 -2.973 -7.859 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.329 -2.364 -7.746 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.230 -1.917 -9.198 1.00 0.00 H new ATOM 318 N GLU A 42 -4.776 -2.536 -8.931 1.00 0.00 N ATOM 319 CA GLU A 42 -6.075 -2.480 -9.550 1.00 0.00 C ATOM 320 C GLU A 42 -6.420 -1.034 -9.893 1.00 0.00 C ATOM 321 O GLU A 42 -6.604 -0.204 -8.999 1.00 0.00 O ATOM 322 CB GLU A 42 -7.125 -3.029 -8.585 1.00 0.00 C ATOM 323 CG GLU A 42 -6.962 -4.509 -8.221 1.00 0.00 C ATOM 324 CD GLU A 42 -7.239 -5.426 -9.382 1.00 0.00 C ATOM 325 OE1 GLU A 42 -6.320 -5.714 -10.170 1.00 0.00 O ATOM 326 OE2 GLU A 42 -8.412 -5.862 -9.548 1.00 0.00 O ATOM 0 H GLU A 42 -4.750 -2.069 -8.025 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.063 -3.079 -10.461 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.097 -2.440 -7.668 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.112 -2.886 -9.026 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.948 -4.681 -7.861 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.637 -4.754 -7.401 1.00 0.00 H new ATOM 333 N ALA A 43 -6.491 -0.731 -11.157 1.00 0.00 N ATOM 334 CA ALA A 43 -6.878 0.600 -11.594 1.00 0.00 C ATOM 335 C ALA A 43 -8.395 0.706 -11.526 1.00 0.00 C ATOM 336 O ALA A 43 -9.110 -0.026 -12.235 1.00 0.00 O ATOM 337 CB ALA A 43 -6.390 0.853 -13.015 1.00 0.00 C ATOM 0 H ALA A 43 -6.287 -1.383 -11.914 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.426 1.351 -10.946 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.687 1.854 -13.329 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -5.304 0.770 -13.047 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -6.830 0.116 -13.687 1.00 0.00 H new ATOM 343 N ILE A 44 -8.882 1.586 -10.680 1.00 0.00 N ATOM 344 CA ILE A 44 -10.317 1.761 -10.443 1.00 0.00 C ATOM 345 C ILE A 44 -10.619 3.228 -10.214 1.00 0.00 C ATOM 346 O ILE A 44 -9.708 4.007 -9.889 1.00 0.00 O ATOM 347 CB ILE A 44 -10.886 0.970 -9.216 1.00 0.00 C ATOM 348 CG1 ILE A 44 -10.391 1.544 -7.897 1.00 0.00 C ATOM 349 CG2 ILE A 44 -10.567 -0.521 -9.293 1.00 0.00 C ATOM 350 CD1 ILE A 44 -11.151 1.017 -6.709 1.00 0.00 C ATOM 0 H ILE A 44 -8.296 2.211 -10.127 1.00 0.00 H new ATOM 0 HA ILE A 44 -10.799 1.363 -11.336 1.00 0.00 H new ATOM 0 HB ILE A 44 -11.969 1.084 -9.256 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -9.333 1.310 -7.779 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.476 2.630 -7.924 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -10.981 -1.027 -8.421 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -11.005 -0.941 -10.199 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.486 -0.661 -9.314 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.754 1.462 -5.797 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -12.206 1.274 -6.809 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -11.045 -0.067 -6.661 1.00 0.00 H new ATOM 362 N LYS A 45 -11.846 3.622 -10.453 1.00 0.00 N ATOM 363 CA LYS A 45 -12.270 4.959 -10.176 1.00 0.00 C ATOM 364 C LYS A 45 -12.257 5.160 -8.671 1.00 0.00 C ATOM 365 O LYS A 45 -13.062 4.577 -7.945 1.00 0.00 O ATOM 366 CB LYS A 45 -13.684 5.216 -10.682 1.00 0.00 C ATOM 367 CG LYS A 45 -14.134 6.664 -10.534 1.00 0.00 C ATOM 368 CD LYS A 45 -13.451 7.546 -11.564 1.00 0.00 C ATOM 369 CE LYS A 45 -13.771 9.029 -11.379 1.00 0.00 C ATOM 370 NZ LYS A 45 -15.221 9.298 -11.262 1.00 0.00 N ATOM 0 H LYS A 45 -12.572 3.021 -10.844 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.593 5.648 -10.682 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.741 4.933 -11.733 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -14.377 4.572 -10.140 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.216 6.728 -10.653 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.902 7.021 -9.531 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.372 7.401 -11.502 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.757 7.235 -12.563 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.266 9.395 -10.485 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.370 9.589 -12.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -15.440 10.216 -11.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.753 8.548 -11.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -15.490 9.320 -10.258 1.00 0.00 H new ATOM 384 N VAL A 46 -11.330 5.918 -8.213 1.00 0.00 N ATOM 385 CA VAL A 46 -11.226 6.206 -6.825 1.00 0.00 C ATOM 386 C VAL A 46 -11.812 7.557 -6.560 1.00 0.00 C ATOM 387 O VAL A 46 -11.320 8.576 -7.029 1.00 0.00 O ATOM 388 CB VAL A 46 -9.775 6.143 -6.339 1.00 0.00 C ATOM 389 CG1 VAL A 46 -9.681 6.399 -4.849 1.00 0.00 C ATOM 390 CG2 VAL A 46 -9.186 4.805 -6.696 1.00 0.00 C ATOM 0 H VAL A 46 -10.616 6.360 -8.792 1.00 0.00 H new ATOM 0 HA VAL A 46 -11.781 5.449 -6.271 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.204 6.928 -6.835 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -8.638 6.347 -4.536 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.079 7.389 -4.624 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.258 5.646 -4.313 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.153 4.758 -6.351 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.764 4.014 -6.219 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.213 4.672 -7.778 1.00 0.00 H new ATOM 400 N GLU A 47 -12.885 7.538 -5.887 1.00 0.00 N ATOM 401 CA GLU A 47 -13.587 8.724 -5.506 1.00 0.00 C ATOM 402 C GLU A 47 -13.097 9.187 -4.156 1.00 0.00 C ATOM 403 O GLU A 47 -13.005 10.382 -3.877 1.00 0.00 O ATOM 404 CB GLU A 47 -15.053 8.405 -5.430 1.00 0.00 C ATOM 405 CG GLU A 47 -15.676 8.122 -6.719 1.00 0.00 C ATOM 406 CD GLU A 47 -15.786 9.340 -7.588 1.00 0.00 C ATOM 407 OE1 GLU A 47 -16.646 10.201 -7.308 1.00 0.00 O ATOM 408 OE2 GLU A 47 -15.014 9.472 -8.546 1.00 0.00 O ATOM 0 H GLU A 47 -13.329 6.677 -5.567 1.00 0.00 H new ATOM 0 HA GLU A 47 -13.415 9.515 -6.236 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -15.192 7.544 -4.776 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -15.571 9.244 -4.966 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.095 7.361 -7.239 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -16.670 7.707 -6.554 1.00 0.00 H new ATOM 415 N SER A 48 -12.774 8.237 -3.345 1.00 0.00 N ATOM 416 CA SER A 48 -12.318 8.458 -2.029 1.00 0.00 C ATOM 417 C SER A 48 -11.337 7.414 -1.727 1.00 0.00 C ATOM 418 O SER A 48 -11.318 6.404 -2.405 1.00 0.00 O ATOM 419 CB SER A 48 -13.464 8.325 -1.053 1.00 0.00 C ATOM 420 OG SER A 48 -14.431 9.355 -1.230 1.00 0.00 O ATOM 0 H SER A 48 -12.825 7.250 -3.598 1.00 0.00 H new ATOM 0 HA SER A 48 -11.889 9.456 -1.944 1.00 0.00 H new ATOM 0 HB2 SER A 48 -13.940 7.353 -1.182 1.00 0.00 H new ATOM 0 HB3 SER A 48 -13.079 8.359 -0.034 1.00 0.00 H new ATOM 0 HG SER A 48 -14.037 10.219 -0.988 1.00 0.00 H new ATOM 426 N ILE A 49 -10.547 7.588 -0.700 1.00 0.00 N ATOM 427 CA ILE A 49 -9.612 6.582 -0.347 1.00 0.00 C ATOM 428 C ILE A 49 -10.362 5.319 0.105 1.00 0.00 C ATOM 429 O ILE A 49 -9.891 4.222 0.011 1.00 0.00 O ATOM 430 CB ILE A 49 -8.639 7.071 0.704 1.00 0.00 C ATOM 431 CG1 ILE A 49 -7.590 6.048 0.947 1.00 0.00 C ATOM 432 CG2 ILE A 49 -9.348 7.399 1.950 1.00 0.00 C ATOM 433 CD1 ILE A 49 -6.473 6.515 1.875 1.00 0.00 C ATOM 0 H ILE A 49 -10.541 8.416 -0.104 1.00 0.00 H new ATOM 0 HA ILE A 49 -9.014 6.332 -1.224 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.157 7.978 0.340 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -8.055 5.159 1.373 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.156 5.753 -0.008 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -8.633 7.749 2.694 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -10.082 8.181 1.756 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.856 6.510 2.324 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.747 5.712 2.003 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.980 7.385 1.442 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.893 6.782 2.845 1.00 0.00 H new ATOM 445 N GLU A 50 -11.548 5.528 0.521 1.00 0.00 N ATOM 446 CA GLU A 50 -12.492 4.464 0.843 1.00 0.00 C ATOM 447 C GLU A 50 -12.698 3.544 -0.402 1.00 0.00 C ATOM 448 O GLU A 50 -12.874 2.355 -0.266 1.00 0.00 O ATOM 449 CB GLU A 50 -13.834 5.059 1.213 1.00 0.00 C ATOM 450 CG GLU A 50 -13.848 6.004 2.396 1.00 0.00 C ATOM 451 CD GLU A 50 -13.875 5.311 3.728 1.00 0.00 C ATOM 452 OE1 GLU A 50 -14.858 4.580 4.000 1.00 0.00 O ATOM 453 OE2 GLU A 50 -12.964 5.506 4.533 1.00 0.00 O ATOM 0 H GLU A 50 -11.929 6.464 0.661 1.00 0.00 H new ATOM 0 HA GLU A 50 -12.092 3.888 1.678 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -14.222 5.592 0.345 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -14.525 4.242 1.420 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.967 6.644 2.348 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -14.719 6.655 2.318 1.00 0.00 H new ATOM 460 N ASP A 51 -12.620 4.121 -1.598 1.00 0.00 N ATOM 461 CA ASP A 51 -12.807 3.409 -2.850 1.00 0.00 C ATOM 462 C ASP A 51 -11.658 2.510 -3.135 1.00 0.00 C ATOM 463 O ASP A 51 -11.821 1.412 -3.617 1.00 0.00 O ATOM 464 CB ASP A 51 -12.924 4.392 -3.999 1.00 0.00 C ATOM 465 CG ASP A 51 -14.269 5.032 -4.126 1.00 0.00 C ATOM 466 OD1 ASP A 51 -14.565 5.966 -3.367 1.00 0.00 O ATOM 467 OD2 ASP A 51 -15.046 4.626 -4.998 1.00 0.00 O ATOM 0 H ASP A 51 -12.421 5.114 -1.722 1.00 0.00 H new ATOM 0 HA ASP A 51 -13.719 2.819 -2.754 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -12.174 5.172 -3.872 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -12.691 3.875 -4.930 1.00 0.00 H new ATOM 472 N VAL A 52 -10.503 2.958 -2.786 1.00 0.00 N ATOM 473 CA VAL A 52 -9.304 2.244 -3.077 1.00 0.00 C ATOM 474 C VAL A 52 -9.052 1.231 -2.024 1.00 0.00 C ATOM 475 O VAL A 52 -8.561 0.145 -2.270 1.00 0.00 O ATOM 476 CB VAL A 52 -8.110 3.203 -3.230 1.00 0.00 C ATOM 477 CG1 VAL A 52 -8.128 4.300 -2.247 1.00 0.00 C ATOM 478 CG2 VAL A 52 -6.788 2.476 -3.304 1.00 0.00 C ATOM 0 H VAL A 52 -10.360 3.836 -2.287 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.426 1.729 -4.030 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.228 3.689 -4.199 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.262 4.943 -2.404 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -9.041 4.883 -2.370 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -8.095 3.886 -1.239 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.980 3.200 -3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.639 1.899 -2.392 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.790 1.804 -4.162 1.00 0.00 H new ATOM 488 N ARG A 53 -9.479 1.561 -0.872 1.00 0.00 N ATOM 489 CA ARG A 53 -9.323 0.743 0.248 1.00 0.00 C ATOM 490 C ARG A 53 -10.261 -0.490 0.105 1.00 0.00 C ATOM 491 O ARG A 53 -10.023 -1.564 0.667 1.00 0.00 O ATOM 492 CB ARG A 53 -9.536 1.661 1.475 1.00 0.00 C ATOM 493 CG ARG A 53 -10.882 1.941 1.929 1.00 0.00 C ATOM 494 CD ARG A 53 -11.405 0.804 2.699 1.00 0.00 C ATOM 495 NE ARG A 53 -12.164 1.226 3.842 1.00 0.00 N ATOM 496 CZ ARG A 53 -13.495 1.288 3.906 1.00 0.00 C ATOM 497 NH1 ARG A 53 -14.249 1.005 2.831 1.00 0.00 N ATOM 498 NH2 ARG A 53 -14.070 1.634 5.036 1.00 0.00 N ATOM 0 H ARG A 53 -9.962 2.439 -0.681 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.336 0.295 0.365 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -8.994 1.220 2.311 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -9.060 2.616 1.255 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -10.886 2.840 2.546 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -11.528 2.138 1.074 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -12.033 0.189 2.055 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -10.576 0.177 3.027 1.00 0.00 H new ATOM 0 HE ARG A 53 -11.642 1.501 4.674 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -13.805 0.739 1.952 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -15.266 1.056 2.893 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -13.499 1.852 5.853 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -15.087 1.685 5.096 1.00 0.00 H new ATOM 512 N ASN A 54 -11.268 -0.309 -0.742 1.00 0.00 N ATOM 513 CA ASN A 54 -12.236 -1.346 -1.127 1.00 0.00 C ATOM 514 C ASN A 54 -11.574 -2.472 -1.875 1.00 0.00 C ATOM 515 O ASN A 54 -12.080 -3.589 -1.903 1.00 0.00 O ATOM 516 CB ASN A 54 -13.329 -0.783 -2.022 1.00 0.00 C ATOM 517 CG ASN A 54 -14.377 0.021 -1.294 1.00 0.00 C ATOM 518 OD1 ASN A 54 -14.636 -0.192 -0.099 1.00 0.00 O ATOM 519 ND2 ASN A 54 -15.018 0.910 -2.001 1.00 0.00 N ATOM 0 H ASN A 54 -11.444 0.587 -1.196 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.665 -1.716 -0.196 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -12.870 -0.153 -2.784 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -13.817 -1.608 -2.542 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -15.763 1.461 -1.574 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.774 1.055 -2.981 1.00 0.00 H new ATOM 526 N GLN A 55 -10.457 -2.178 -2.506 1.00 0.00 N ATOM 527 CA GLN A 55 -9.716 -3.174 -3.249 1.00 0.00 C ATOM 528 C GLN A 55 -9.177 -4.211 -2.288 1.00 0.00 C ATOM 529 O GLN A 55 -9.122 -5.388 -2.591 1.00 0.00 O ATOM 530 CB GLN A 55 -8.568 -2.526 -3.999 1.00 0.00 C ATOM 531 CG GLN A 55 -8.994 -1.407 -4.922 1.00 0.00 C ATOM 532 CD GLN A 55 -7.815 -0.741 -5.618 1.00 0.00 C ATOM 533 OE1 GLN A 55 -6.790 -1.353 -5.864 1.00 0.00 O ATOM 534 NE2 GLN A 55 -7.962 0.521 -5.937 1.00 0.00 N ATOM 0 H GLN A 55 -10.039 -1.248 -2.518 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.380 -3.649 -3.971 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -7.850 -2.136 -3.278 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -8.052 -3.288 -4.582 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -9.679 -1.801 -5.673 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -9.544 -0.659 -4.351 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.833 1.005 -5.717 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.206 1.020 -6.405 1.00 0.00 H new ATOM 543 N CYS A 56 -8.834 -3.769 -1.106 1.00 0.00 N ATOM 544 CA CYS A 56 -8.309 -4.630 -0.117 1.00 0.00 C ATOM 545 C CYS A 56 -9.386 -5.341 0.639 1.00 0.00 C ATOM 546 O CYS A 56 -9.290 -6.558 0.879 1.00 0.00 O ATOM 547 CB CYS A 56 -7.441 -3.863 0.820 1.00 0.00 C ATOM 548 SG CYS A 56 -6.028 -3.124 0.016 1.00 0.00 S ATOM 0 H CYS A 56 -8.917 -2.795 -0.816 1.00 0.00 H new ATOM 0 HA CYS A 56 -7.714 -5.389 -0.625 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -8.032 -3.080 1.296 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -7.095 -4.527 1.612 1.00 0.00 H new ATOM 553 N THR A 57 -10.438 -4.621 0.979 1.00 0.00 N ATOM 554 CA THR A 57 -11.533 -5.169 1.758 1.00 0.00 C ATOM 555 C THR A 57 -12.258 -6.246 0.988 1.00 0.00 C ATOM 556 O THR A 57 -12.879 -7.140 1.560 1.00 0.00 O ATOM 557 CB THR A 57 -12.483 -4.067 2.196 1.00 0.00 C ATOM 558 OG1 THR A 57 -12.923 -3.367 1.045 1.00 0.00 O ATOM 559 CG2 THR A 57 -11.768 -3.094 3.110 1.00 0.00 C ATOM 0 H THR A 57 -10.558 -3.641 0.724 1.00 0.00 H new ATOM 0 HA THR A 57 -11.118 -5.629 2.655 1.00 0.00 H new ATOM 0 HB THR A 57 -13.326 -4.508 2.728 1.00 0.00 H new ATOM 0 HG1 THR A 57 -13.751 -2.886 1.252 1.00 0.00 H new ATOM 0 HG21 THR A 57 -12.459 -2.309 3.417 1.00 0.00 H new ATOM 0 HG22 THR A 57 -11.404 -3.623 3.991 1.00 0.00 H new ATOM 0 HG23 THR A 57 -10.926 -2.649 2.580 1.00 0.00 H new ATOM 567 N ASP A 58 -12.073 -6.193 -0.309 1.00 0.00 N ATOM 568 CA ASP A 58 -12.620 -7.162 -1.258 1.00 0.00 C ATOM 569 C ASP A 58 -12.001 -8.550 -1.018 1.00 0.00 C ATOM 570 O ASP A 58 -12.563 -9.573 -1.381 1.00 0.00 O ATOM 571 CB ASP A 58 -12.317 -6.684 -2.687 1.00 0.00 C ATOM 572 CG ASP A 58 -12.914 -7.547 -3.771 1.00 0.00 C ATOM 573 OD1 ASP A 58 -14.087 -7.327 -4.141 1.00 0.00 O ATOM 574 OD2 ASP A 58 -12.213 -8.420 -4.304 1.00 0.00 O ATOM 0 H ASP A 58 -11.524 -5.459 -0.756 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.698 -7.241 -1.120 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -12.689 -5.666 -2.803 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.236 -6.646 -2.823 1.00 0.00 H new ATOM 579 N HIS A 59 -10.849 -8.569 -0.356 1.00 0.00 N ATOM 580 CA HIS A 59 -10.147 -9.813 -0.067 1.00 0.00 C ATOM 581 C HIS A 59 -10.240 -10.118 1.412 1.00 0.00 C ATOM 582 O HIS A 59 -9.566 -11.017 1.915 1.00 0.00 O ATOM 583 CB HIS A 59 -8.654 -9.737 -0.426 1.00 0.00 C ATOM 584 CG HIS A 59 -8.299 -9.405 -1.849 1.00 0.00 C ATOM 585 ND1 HIS A 59 -8.285 -8.226 -2.483 1.00 0.00 N flip ATOM 586 CD2 HIS A 59 -7.822 -10.319 -2.760 1.00 0.00 C flip ATOM 587 CE1 HIS A 59 -7.811 -8.427 -3.739 1.00 0.00 C flip ATOM 588 NE2 HIS A 59 -7.535 -9.692 -3.885 1.00 0.00 N flip ATOM 0 H HIS A 59 -10.380 -7.732 -0.008 1.00 0.00 H new ATOM 0 HA HIS A 59 -10.620 -10.588 -0.670 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -8.190 -8.991 0.219 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -8.200 -10.697 -0.181 1.00 0.00 H new ATOM 0 HD1 HIS A 59 -8.579 -7.332 -2.090 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -7.702 -11.378 -2.583 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -7.684 -7.664 -4.493 1.00 0.00 H new ATOM 597 N GLY A 60 -11.059 -9.363 2.113 1.00 0.00 N ATOM 598 CA GLY A 60 -11.144 -9.514 3.549 1.00 0.00 C ATOM 599 C GLY A 60 -9.951 -8.876 4.230 1.00 0.00 C ATOM 600 O GLY A 60 -9.584 -9.216 5.351 1.00 0.00 O ATOM 0 H GLY A 60 -11.668 -8.647 1.718 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.064 -9.056 3.913 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -11.191 -10.572 3.805 1.00 0.00 H new ATOM 604 N ALA A 61 -9.334 -7.976 3.526 1.00 0.00 N ATOM 605 CA ALA A 61 -8.183 -7.262 4.015 1.00 0.00 C ATOM 606 C ALA A 61 -8.553 -5.816 4.115 1.00 0.00 C ATOM 607 O ALA A 61 -9.677 -5.472 3.853 1.00 0.00 O ATOM 608 CB ALA A 61 -7.006 -7.451 3.059 1.00 0.00 C ATOM 0 H ALA A 61 -9.616 -7.710 2.583 1.00 0.00 H new ATOM 0 HA ALA A 61 -7.882 -7.640 4.992 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.140 -6.908 3.436 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.765 -8.511 2.984 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -7.273 -7.069 2.074 1.00 0.00 H new ATOM 614 N ASP A 62 -7.667 -4.998 4.521 1.00 0.00 N ATOM 615 CA ASP A 62 -7.908 -3.575 4.507 1.00 0.00 C ATOM 616 C ASP A 62 -6.619 -2.964 4.053 1.00 0.00 C ATOM 617 O ASP A 62 -5.653 -3.709 3.877 1.00 0.00 O ATOM 618 CB ASP A 62 -8.331 -3.037 5.872 1.00 0.00 C ATOM 619 CG ASP A 62 -9.228 -1.822 5.734 1.00 0.00 C ATOM 620 OD1 ASP A 62 -8.959 -0.960 4.878 1.00 0.00 O ATOM 621 OD2 ASP A 62 -10.267 -1.762 6.441 1.00 0.00 O ATOM 0 H ASP A 62 -6.751 -5.272 4.875 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.737 -3.326 3.844 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -8.854 -3.816 6.426 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.446 -2.774 6.451 1.00 0.00 H new ATOM 626 N MET A 63 -6.579 -1.695 3.760 1.00 0.00 N ATOM 627 CA MET A 63 -5.321 -1.107 3.304 1.00 0.00 C ATOM 628 C MET A 63 -4.241 -1.201 4.381 1.00 0.00 C ATOM 629 O MET A 63 -4.531 -1.248 5.589 1.00 0.00 O ATOM 630 CB MET A 63 -5.448 0.340 2.796 1.00 0.00 C ATOM 631 CG MET A 63 -6.254 0.502 1.534 1.00 0.00 C ATOM 632 SD MET A 63 -6.345 2.226 0.954 1.00 0.00 S ATOM 633 CE MET A 63 -4.626 2.601 0.593 1.00 0.00 C ATOM 0 H MET A 63 -7.369 -1.052 3.821 1.00 0.00 H new ATOM 0 HA MET A 63 -5.024 -1.705 2.442 1.00 0.00 H new ATOM 0 HB2 MET A 63 -5.902 0.946 3.580 1.00 0.00 H new ATOM 0 HB3 MET A 63 -4.448 0.738 2.624 1.00 0.00 H new ATOM 0 HG2 MET A 63 -5.816 -0.115 0.750 1.00 0.00 H new ATOM 0 HG3 MET A 63 -7.264 0.130 1.706 1.00 0.00 H new ATOM 0 HE1 MET A 63 -4.440 3.661 0.768 1.00 0.00 H new ATOM 0 HE2 MET A 63 -3.980 2.008 1.240 1.00 0.00 H new ATOM 0 HE3 MET A 63 -4.413 2.363 -0.449 1.00 0.00 H new ATOM 643 N ILE A 64 -3.026 -1.303 3.907 1.00 0.00 N ATOM 644 CA ILE A 64 -1.794 -1.377 4.695 1.00 0.00 C ATOM 645 C ILE A 64 -1.768 -0.425 5.925 1.00 0.00 C ATOM 646 O ILE A 64 -2.218 0.706 5.871 1.00 0.00 O ATOM 647 CB ILE A 64 -0.583 -1.069 3.774 1.00 0.00 C ATOM 648 CG1 ILE A 64 0.651 -0.743 4.598 1.00 0.00 C ATOM 649 CG2 ILE A 64 -0.914 0.032 2.771 1.00 0.00 C ATOM 650 CD1 ILE A 64 1.816 -0.240 3.816 1.00 0.00 C ATOM 0 H ILE A 64 -2.845 -1.340 2.904 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.742 -2.389 5.096 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.359 -1.964 3.194 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.384 0.005 5.345 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.955 -1.639 5.139 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.045 0.224 2.141 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.751 -0.283 2.148 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.182 0.943 3.306 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.647 -0.036 4.491 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.117 -0.993 3.087 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.537 0.677 3.296 1.00 0.00 H new ATOM 662 N SER A 65 -1.205 -0.889 7.002 1.00 0.00 N ATOM 663 CA SER A 65 -1.122 -0.120 8.194 1.00 0.00 C ATOM 664 C SER A 65 0.191 -0.397 8.921 1.00 0.00 C ATOM 665 O SER A 65 0.460 -1.520 9.348 1.00 0.00 O ATOM 666 CB SER A 65 -2.365 -0.357 9.059 1.00 0.00 C ATOM 667 OG SER A 65 -2.742 -1.735 9.058 1.00 0.00 O ATOM 0 H SER A 65 -0.790 -1.818 7.071 1.00 0.00 H new ATOM 0 HA SER A 65 -1.111 0.942 7.950 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.167 -0.032 10.081 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.191 0.249 8.686 1.00 0.00 H new ATOM 0 HG SER A 65 -3.023 -1.998 9.959 1.00 0.00 H new ATOM 673 N ILE A 66 0.959 0.652 9.124 1.00 0.00 N ATOM 674 CA ILE A 66 2.295 0.541 9.630 1.00 0.00 C ATOM 675 C ILE A 66 2.336 0.793 11.087 1.00 0.00 C ATOM 676 O ILE A 66 1.894 1.829 11.590 1.00 0.00 O ATOM 677 CB ILE A 66 3.215 1.552 8.925 1.00 0.00 C ATOM 678 CG1 ILE A 66 3.091 1.309 7.420 1.00 0.00 C ATOM 679 CG2 ILE A 66 4.646 1.382 9.415 1.00 0.00 C ATOM 680 CD1 ILE A 66 3.963 2.117 6.522 1.00 0.00 C ATOM 0 H ILE A 66 0.664 1.611 8.938 1.00 0.00 H new ATOM 0 HA ILE A 66 2.639 -0.475 9.435 1.00 0.00 H new ATOM 0 HB ILE A 66 2.926 2.579 9.150 1.00 0.00 H new ATOM 0 HG12 ILE A 66 3.296 0.255 7.231 1.00 0.00 H new ATOM 0 HG13 ILE A 66 2.055 1.488 7.134 1.00 0.00 H new ATOM 0 HG21 ILE A 66 5.291 2.102 8.911 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.685 1.551 10.491 1.00 0.00 H new ATOM 0 HG23 ILE A 66 4.988 0.371 9.194 1.00 0.00 H new ATOM 0 HD11 ILE A 66 3.771 1.842 5.485 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.748 3.176 6.663 1.00 0.00 H new ATOM 0 HD13 ILE A 66 5.009 1.924 6.761 1.00 0.00 H new ATOM 692 N HIS A 67 2.826 -0.176 11.779 1.00 0.00 N ATOM 693 CA HIS A 67 2.962 -0.071 13.182 1.00 0.00 C ATOM 694 C HIS A 67 4.405 -0.128 13.592 1.00 0.00 C ATOM 695 O HIS A 67 4.703 0.007 14.758 1.00 0.00 O ATOM 696 CB HIS A 67 2.098 -1.108 13.922 1.00 0.00 C ATOM 697 CG HIS A 67 0.624 -0.843 13.785 1.00 0.00 C ATOM 698 ND1 HIS A 67 -0.126 -0.264 14.770 1.00 0.00 N ATOM 699 CD2 HIS A 67 -0.225 -1.048 12.751 1.00 0.00 C ATOM 700 CE1 HIS A 67 -1.355 -0.118 14.357 1.00 0.00 C ATOM 701 NE2 HIS A 67 -1.450 -0.582 13.138 1.00 0.00 N ATOM 0 H HIS A 67 3.142 -1.062 11.384 1.00 0.00 H new ATOM 0 HA HIS A 67 2.584 0.907 13.479 1.00 0.00 H new ATOM 0 HB2 HIS A 67 2.321 -2.102 13.535 1.00 0.00 H new ATOM 0 HB3 HIS A 67 2.366 -1.109 14.979 1.00 0.00 H new ATOM 0 HD2 HIS A 67 0.020 -1.496 11.799 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -2.162 0.315 14.929 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -2.297 -0.594 12.570 1.00 0.00 H new ATOM 710 N ASN A 68 5.327 -0.274 12.618 1.00 0.00 N ATOM 711 CA ASN A 68 6.775 -0.312 12.924 1.00 0.00 C ATOM 712 C ASN A 68 7.529 -0.085 11.664 1.00 0.00 C ATOM 713 O ASN A 68 6.967 -0.182 10.589 1.00 0.00 O ATOM 714 CB ASN A 68 7.279 -1.674 13.459 1.00 0.00 C ATOM 715 CG ASN A 68 6.661 -2.207 14.712 1.00 0.00 C ATOM 716 OD1 ASN A 68 7.109 -1.925 15.821 1.00 0.00 O ATOM 717 ND2 ASN A 68 5.626 -2.975 14.539 1.00 0.00 N ATOM 0 H ASN A 68 5.102 -0.366 11.628 1.00 0.00 H new ATOM 0 HA ASN A 68 6.932 0.447 13.691 1.00 0.00 H new ATOM 0 HB2 ASN A 68 7.134 -2.416 12.673 1.00 0.00 H new ATOM 0 HB3 ASN A 68 8.353 -1.591 13.625 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.146 -3.374 15.346 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.294 -3.178 13.596 1.00 0.00 H new ATOM 724 N GLU A 69 8.825 0.160 11.788 1.00 0.00 N ATOM 725 CA GLU A 69 9.677 0.288 10.648 1.00 0.00 C ATOM 726 C GLU A 69 9.800 -1.037 9.984 1.00 0.00 C ATOM 727 O GLU A 69 10.082 -1.109 8.816 1.00 0.00 O ATOM 728 CB GLU A 69 11.054 0.776 11.011 1.00 0.00 C ATOM 729 CG GLU A 69 11.881 -0.147 11.845 1.00 0.00 C ATOM 730 CD GLU A 69 13.235 0.427 12.129 1.00 0.00 C ATOM 731 OE1 GLU A 69 14.022 0.640 11.170 1.00 0.00 O ATOM 732 OE2 GLU A 69 13.533 0.714 13.291 1.00 0.00 O ATOM 0 H GLU A 69 9.300 0.273 12.684 1.00 0.00 H new ATOM 0 HA GLU A 69 9.227 1.025 9.983 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.597 0.985 10.090 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.953 1.722 11.543 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.366 -0.348 12.785 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.991 -1.102 11.331 1.00 0.00 H new ATOM 739 N GLU A 70 9.581 -2.084 10.771 1.00 0.00 N ATOM 740 CA GLU A 70 9.554 -3.393 10.341 1.00 0.00 C ATOM 741 C GLU A 70 8.543 -3.525 9.233 1.00 0.00 C ATOM 742 O GLU A 70 8.857 -4.010 8.180 1.00 0.00 O ATOM 743 CB GLU A 70 9.155 -4.212 11.536 1.00 0.00 C ATOM 744 CG GLU A 70 10.265 -4.549 12.493 1.00 0.00 C ATOM 745 CD GLU A 70 11.399 -5.269 11.814 1.00 0.00 C ATOM 746 OE1 GLU A 70 11.245 -6.453 11.455 1.00 0.00 O ATOM 747 OE2 GLU A 70 12.453 -4.647 11.601 1.00 0.00 O ATOM 0 H GLU A 70 9.413 -1.990 11.773 1.00 0.00 H new ATOM 0 HA GLU A 70 10.516 -3.726 9.951 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.381 -3.673 12.081 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.708 -5.142 11.184 1.00 0.00 H new ATOM 0 HG2 GLU A 70 10.640 -3.633 12.950 1.00 0.00 H new ATOM 0 HG3 GLU A 70 9.873 -5.170 13.299 1.00 0.00 H new ATOM 754 N GLU A 71 7.349 -3.006 9.492 1.00 0.00 N ATOM 755 CA GLU A 71 6.257 -3.005 8.540 1.00 0.00 C ATOM 756 C GLU A 71 6.680 -2.122 7.386 1.00 0.00 C ATOM 757 O GLU A 71 6.824 -2.588 6.293 1.00 0.00 O ATOM 758 CB GLU A 71 5.001 -2.415 9.226 1.00 0.00 C ATOM 759 CG GLU A 71 3.615 -2.780 8.660 1.00 0.00 C ATOM 760 CD GLU A 71 3.268 -2.270 7.355 1.00 0.00 C ATOM 761 OE1 GLU A 71 3.913 -1.366 6.910 1.00 0.00 O ATOM 762 OE2 GLU A 71 2.232 -2.726 6.819 1.00 0.00 O ATOM 0 H GLU A 71 7.114 -2.569 10.383 1.00 0.00 H new ATOM 0 HA GLU A 71 6.026 -4.010 8.188 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.022 -2.718 10.273 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.092 -1.329 9.206 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.542 -3.867 8.625 1.00 0.00 H new ATOM 0 HG3 GLU A 71 2.862 -2.433 9.367 1.00 0.00 H new ATOM 769 N ASN A 72 7.052 -0.877 7.709 1.00 0.00 N ATOM 770 CA ASN A 72 7.329 0.153 6.731 1.00 0.00 C ATOM 771 C ASN A 72 8.351 -0.307 5.707 1.00 0.00 C ATOM 772 O ASN A 72 8.127 -0.256 4.500 1.00 0.00 O ATOM 773 CB ASN A 72 7.857 1.403 7.445 1.00 0.00 C ATOM 774 CG ASN A 72 8.135 2.518 6.479 1.00 0.00 C ATOM 775 OD1 ASN A 72 7.281 3.303 6.186 1.00 0.00 O ATOM 776 ND2 ASN A 72 9.348 2.621 6.022 1.00 0.00 N ATOM 0 H ASN A 72 7.167 -0.564 8.673 1.00 0.00 H new ATOM 0 HA ASN A 72 6.400 0.377 6.206 1.00 0.00 H new ATOM 0 HB2 ASN A 72 7.128 1.735 8.184 1.00 0.00 H new ATOM 0 HB3 ASN A 72 8.770 1.155 7.987 1.00 0.00 H new ATOM 0 HD21 ASN A 72 9.593 3.387 5.395 1.00 0.00 H new ATOM 0 HD22 ASN A 72 10.054 1.936 6.290 1.00 0.00 H new ATOM 783 N ALA A 73 9.454 -0.789 6.208 1.00 0.00 N ATOM 784 CA ALA A 73 10.551 -1.229 5.387 1.00 0.00 C ATOM 785 C ALA A 73 10.245 -2.546 4.682 1.00 0.00 C ATOM 786 O ALA A 73 10.779 -2.812 3.602 1.00 0.00 O ATOM 787 CB ALA A 73 11.781 -1.338 6.220 1.00 0.00 C ATOM 0 H ALA A 73 9.620 -0.889 7.209 1.00 0.00 H new ATOM 0 HA ALA A 73 10.712 -0.488 4.604 1.00 0.00 H new ATOM 0 HB1 ALA A 73 12.613 -1.671 5.599 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.017 -0.365 6.650 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.615 -2.058 7.021 1.00 0.00 H new ATOM 793 N PHE A 74 9.391 -3.348 5.289 1.00 0.00 N ATOM 794 CA PHE A 74 8.907 -4.597 4.703 1.00 0.00 C ATOM 795 C PHE A 74 8.148 -4.298 3.447 1.00 0.00 C ATOM 796 O PHE A 74 8.418 -4.831 2.413 1.00 0.00 O ATOM 797 CB PHE A 74 7.944 -5.272 5.671 1.00 0.00 C ATOM 798 CG PHE A 74 7.051 -6.266 5.141 1.00 0.00 C ATOM 799 CD1 PHE A 74 7.472 -7.499 4.699 1.00 0.00 C ATOM 800 CD2 PHE A 74 5.767 -5.953 5.096 1.00 0.00 C ATOM 801 CE1 PHE A 74 6.548 -8.389 4.212 1.00 0.00 C ATOM 802 CE2 PHE A 74 4.869 -6.774 4.638 1.00 0.00 C ATOM 803 CZ PHE A 74 5.222 -8.016 4.179 1.00 0.00 C ATOM 0 H PHE A 74 9.006 -3.154 6.213 1.00 0.00 H new ATOM 0 HA PHE A 74 9.760 -5.242 4.494 1.00 0.00 H new ATOM 0 HB2 PHE A 74 8.534 -5.738 6.461 1.00 0.00 H new ATOM 0 HB3 PHE A 74 7.340 -4.495 6.140 1.00 0.00 H new ATOM 0 HD1 PHE A 74 8.518 -7.764 4.735 1.00 0.00 H new ATOM 0 HD2 PHE A 74 5.454 -4.983 5.452 1.00 0.00 H new ATOM 0 HE1 PHE A 74 6.854 -9.363 3.861 1.00 0.00 H new ATOM 0 HE2 PHE A 74 3.832 -6.473 4.619 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.472 -8.693 3.797 1.00 0.00 H new ATOM 813 N ILE A 75 7.237 -3.382 3.567 1.00 0.00 N ATOM 814 CA ILE A 75 6.286 -3.006 2.516 1.00 0.00 C ATOM 815 C ILE A 75 7.064 -2.534 1.398 1.00 0.00 C ATOM 816 O ILE A 75 6.893 -2.935 0.260 1.00 0.00 O ATOM 817 CB ILE A 75 5.434 -1.838 3.012 1.00 0.00 C ATOM 818 CG1 ILE A 75 4.802 -2.162 4.303 1.00 0.00 C ATOM 819 CG2 ILE A 75 4.394 -1.452 2.050 1.00 0.00 C ATOM 820 CD1 ILE A 75 3.890 -3.334 4.291 1.00 0.00 C ATOM 0 H ILE A 75 7.114 -2.844 4.425 1.00 0.00 H new ATOM 0 HA ILE A 75 5.649 -3.849 2.248 1.00 0.00 H new ATOM 0 HB ILE A 75 6.113 -0.994 3.133 1.00 0.00 H new ATOM 0 HG12 ILE A 75 5.587 -2.342 5.037 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.242 -1.291 4.642 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.818 -0.618 2.452 1.00 0.00 H new ATOM 0 HG22 ILE A 75 4.860 -1.152 1.111 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.731 -2.299 1.872 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.479 -3.485 5.289 1.00 0.00 H new ATOM 0 HD12 ILE A 75 3.077 -3.155 3.587 1.00 0.00 H new ATOM 0 HD13 ILE A 75 4.444 -4.223 3.988 1.00 0.00 H new ATOM 832 N LEU A 76 7.986 -1.769 1.782 1.00 0.00 N ATOM 833 CA LEU A 76 8.884 -1.138 0.969 1.00 0.00 C ATOM 834 C LEU A 76 9.632 -2.108 0.077 1.00 0.00 C ATOM 835 O LEU A 76 9.764 -1.884 -1.090 1.00 0.00 O ATOM 836 CB LEU A 76 9.840 -0.424 1.846 1.00 0.00 C ATOM 837 CG LEU A 76 10.061 0.983 1.461 1.00 0.00 C ATOM 838 CD1 LEU A 76 8.886 1.754 1.906 1.00 0.00 C ATOM 839 CD2 LEU A 76 11.320 1.574 1.965 1.00 0.00 C ATOM 0 H LEU A 76 8.135 -1.557 2.768 1.00 0.00 H new ATOM 0 HA LEU A 76 8.352 -0.454 0.308 1.00 0.00 H new ATOM 0 HB2 LEU A 76 9.473 -0.457 2.872 1.00 0.00 H new ATOM 0 HB3 LEU A 76 10.795 -0.950 1.832 1.00 0.00 H new ATOM 0 HG LEU A 76 10.176 1.020 0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 76 9.016 2.802 1.637 1.00 0.00 H new ATOM 0 HD12 LEU A 76 7.990 1.363 1.423 1.00 0.00 H new ATOM 0 HD13 LEU A 76 8.782 1.667 2.988 1.00 0.00 H new ATOM 0 HD21 LEU A 76 11.395 2.609 1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 76 11.326 1.542 3.055 1.00 0.00 H new ATOM 0 HD23 LEU A 76 12.168 1.007 1.581 1.00 0.00 H new ATOM 851 N ASP A 77 10.101 -3.165 0.630 1.00 0.00 N ATOM 852 CA ASP A 77 10.875 -4.149 -0.155 1.00 0.00 C ATOM 853 C ASP A 77 9.968 -5.114 -0.823 1.00 0.00 C ATOM 854 O ASP A 77 10.147 -5.447 -1.971 1.00 0.00 O ATOM 855 CB ASP A 77 11.868 -4.945 0.740 1.00 0.00 C ATOM 856 CG ASP A 77 11.275 -6.072 1.596 1.00 0.00 C ATOM 857 OD1 ASP A 77 11.135 -7.200 1.099 1.00 0.00 O ATOM 858 OD2 ASP A 77 11.024 -5.874 2.783 1.00 0.00 O ATOM 0 H ASP A 77 9.982 -3.401 1.615 1.00 0.00 H new ATOM 0 HA ASP A 77 11.439 -3.586 -0.899 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.636 -5.375 0.097 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.367 -4.240 1.405 1.00 0.00 H new ATOM 863 N THR A 78 8.951 -5.428 -0.141 1.00 0.00 N ATOM 864 CA THR A 78 8.096 -6.526 -0.454 1.00 0.00 C ATOM 865 C THR A 78 7.269 -6.226 -1.633 1.00 0.00 C ATOM 866 O THR A 78 6.965 -7.115 -2.459 1.00 0.00 O ATOM 867 CB THR A 78 7.276 -6.869 0.777 1.00 0.00 C ATOM 868 OG1 THR A 78 8.144 -7.483 1.721 1.00 0.00 O ATOM 869 CG2 THR A 78 6.117 -7.752 0.487 1.00 0.00 C ATOM 0 H THR A 78 8.663 -4.915 0.692 1.00 0.00 H new ATOM 0 HA THR A 78 8.686 -7.403 -0.722 1.00 0.00 H new ATOM 0 HB THR A 78 6.849 -5.947 1.171 1.00 0.00 H new ATOM 0 HG1 THR A 78 7.698 -7.531 2.592 1.00 0.00 H new ATOM 0 HG21 THR A 78 5.576 -7.957 1.411 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.452 -7.258 -0.222 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.472 -8.690 0.059 1.00 0.00 H new ATOM 877 N LEU A 79 6.989 -4.973 -1.752 1.00 0.00 N ATOM 878 CA LEU A 79 6.264 -4.448 -2.799 1.00 0.00 C ATOM 879 C LEU A 79 6.938 -4.809 -4.116 1.00 0.00 C ATOM 880 O LEU A 79 6.369 -5.464 -4.966 1.00 0.00 O ATOM 881 CB LEU A 79 6.245 -2.963 -2.650 1.00 0.00 C ATOM 882 CG LEU A 79 4.931 -2.289 -2.861 1.00 0.00 C ATOM 883 CD1 LEU A 79 4.143 -2.964 -3.952 1.00 0.00 C ATOM 884 CD2 LEU A 79 4.158 -2.253 -1.540 1.00 0.00 C ATOM 0 H LEU A 79 7.287 -4.272 -1.073 1.00 0.00 H new ATOM 0 HA LEU A 79 5.250 -4.848 -2.794 1.00 0.00 H new ATOM 0 HB2 LEU A 79 6.598 -2.716 -1.649 1.00 0.00 H new ATOM 0 HB3 LEU A 79 6.962 -2.540 -3.354 1.00 0.00 H new ATOM 0 HG LEU A 79 5.103 -1.264 -3.188 1.00 0.00 H new ATOM 0 HD11 LEU A 79 3.190 -2.451 -4.083 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.707 -2.927 -4.884 1.00 0.00 H new ATOM 0 HD13 LEU A 79 3.961 -4.004 -3.679 1.00 0.00 H new ATOM 0 HD21 LEU A 79 3.198 -1.761 -1.694 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.992 -3.271 -1.188 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.734 -1.702 -0.797 1.00 0.00 H new ATOM 896 N LYS A 80 8.165 -4.384 -4.223 1.00 0.00 N ATOM 897 CA LYS A 80 9.011 -4.634 -5.388 1.00 0.00 C ATOM 898 C LYS A 80 9.553 -6.061 -5.456 1.00 0.00 C ATOM 899 O LYS A 80 10.092 -6.485 -6.471 1.00 0.00 O ATOM 900 CB LYS A 80 10.163 -3.682 -5.329 1.00 0.00 C ATOM 901 CG LYS A 80 9.708 -2.270 -5.337 1.00 0.00 C ATOM 902 CD LYS A 80 9.953 -1.672 -4.013 1.00 0.00 C ATOM 903 CE LYS A 80 11.476 -1.481 -3.759 1.00 0.00 C ATOM 904 NZ LYS A 80 11.794 -0.809 -2.465 1.00 0.00 N ATOM 0 H LYS A 80 8.628 -3.841 -3.495 1.00 0.00 H new ATOM 0 HA LYS A 80 8.398 -4.492 -6.278 1.00 0.00 H new ATOM 0 HB2 LYS A 80 10.746 -3.871 -4.428 1.00 0.00 H new ATOM 0 HB3 LYS A 80 10.823 -3.857 -6.178 1.00 0.00 H new ATOM 0 HG2 LYS A 80 10.239 -1.709 -6.106 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.647 -2.219 -5.581 1.00 0.00 H new ATOM 0 HD2 LYS A 80 9.446 -0.709 -3.946 1.00 0.00 H new ATOM 0 HD3 LYS A 80 9.529 -2.310 -3.238 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.963 -2.456 -3.780 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.900 -0.895 -4.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 12.644 -1.241 -2.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 11.966 0.203 -2.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 10.994 -0.920 -1.810 1.00 0.00 H new ATOM 918 N LYS A 81 9.451 -6.767 -4.382 1.00 0.00 N ATOM 919 CA LYS A 81 10.019 -8.081 -4.275 1.00 0.00 C ATOM 920 C LYS A 81 9.106 -9.137 -4.864 1.00 0.00 C ATOM 921 O LYS A 81 9.515 -9.946 -5.690 1.00 0.00 O ATOM 922 CB LYS A 81 10.241 -8.334 -2.814 1.00 0.00 C ATOM 923 CG LYS A 81 10.952 -9.589 -2.465 1.00 0.00 C ATOM 924 CD LYS A 81 11.216 -9.619 -0.987 1.00 0.00 C ATOM 925 CE LYS A 81 9.991 -10.025 -0.250 1.00 0.00 C ATOM 926 NZ LYS A 81 10.056 -9.627 1.167 1.00 0.00 N ATOM 0 H LYS A 81 8.967 -6.451 -3.541 1.00 0.00 H new ATOM 0 HA LYS A 81 10.952 -8.135 -4.836 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.804 -7.496 -2.403 1.00 0.00 H new ATOM 0 HB3 LYS A 81 9.271 -8.340 -2.317 1.00 0.00 H new ATOM 0 HG2 LYS A 81 10.353 -10.452 -2.756 1.00 0.00 H new ATOM 0 HG3 LYS A 81 11.891 -9.653 -3.015 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.026 -10.315 -0.770 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.542 -8.635 -0.649 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.117 -9.571 -0.717 1.00 0.00 H new ATOM 0 HE3 LYS A 81 9.864 -11.105 -0.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 10.229 -10.467 1.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 10.829 -8.945 1.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.155 -9.188 1.446 1.00 0.00 H new ATOM 940 N GLN A 82 7.890 -9.120 -4.434 1.00 0.00 N ATOM 941 CA GLN A 82 6.909 -10.090 -4.886 1.00 0.00 C ATOM 942 C GLN A 82 6.108 -9.540 -6.043 1.00 0.00 C ATOM 943 O GLN A 82 5.870 -10.224 -7.049 1.00 0.00 O ATOM 944 CB GLN A 82 5.953 -10.376 -3.763 1.00 0.00 C ATOM 945 CG GLN A 82 5.031 -11.556 -4.005 1.00 0.00 C ATOM 946 CD GLN A 82 5.752 -12.879 -3.901 1.00 0.00 C ATOM 947 OE1 GLN A 82 6.242 -13.423 -4.884 1.00 0.00 O ATOM 948 NE2 GLN A 82 5.898 -13.365 -2.694 1.00 0.00 N ATOM 0 H GLN A 82 7.533 -8.442 -3.761 1.00 0.00 H new ATOM 0 HA GLN A 82 7.435 -10.992 -5.200 1.00 0.00 H new ATOM 0 HB2 GLN A 82 6.525 -10.559 -2.854 1.00 0.00 H new ATOM 0 HB3 GLN A 82 5.346 -9.488 -3.584 1.00 0.00 H new ATOM 0 HG2 GLN A 82 4.216 -11.531 -3.282 1.00 0.00 H new ATOM 0 HG3 GLN A 82 4.582 -11.466 -4.994 1.00 0.00 H new ATOM 0 HE21 GLN A 82 5.477 -12.887 -1.897 1.00 0.00 H new ATOM 0 HE22 GLN A 82 6.433 -14.222 -2.550 1.00 0.00 H new ATOM 957 N TRP A 83 5.719 -8.307 -5.915 1.00 0.00 N ATOM 958 CA TRP A 83 4.850 -7.690 -6.867 1.00 0.00 C ATOM 959 C TRP A 83 5.681 -6.739 -7.729 1.00 0.00 C ATOM 960 O TRP A 83 6.902 -6.917 -7.837 1.00 0.00 O ATOM 961 CB TRP A 83 3.712 -6.966 -6.101 1.00 0.00 C ATOM 962 CG TRP A 83 3.039 -7.848 -5.052 1.00 0.00 C ATOM 963 CD1 TRP A 83 2.303 -8.990 -5.236 1.00 0.00 C ATOM 964 CD2 TRP A 83 3.051 -7.621 -3.655 1.00 0.00 C ATOM 965 NE1 TRP A 83 1.875 -9.466 -4.006 1.00 0.00 N ATOM 966 CE2 TRP A 83 2.326 -8.635 -3.034 1.00 0.00 C ATOM 967 CE3 TRP A 83 3.611 -6.651 -2.895 1.00 0.00 C ATOM 968 CZ2 TRP A 83 2.153 -8.688 -1.654 1.00 0.00 C ATOM 969 CZ3 TRP A 83 3.456 -6.675 -1.530 1.00 0.00 C ATOM 970 CH2 TRP A 83 2.730 -7.689 -0.909 1.00 0.00 C ATOM 0 H TRP A 83 5.997 -7.700 -5.144 1.00 0.00 H new ATOM 0 HA TRP A 83 4.386 -8.420 -7.530 1.00 0.00 H new ATOM 0 HB2 TRP A 83 4.117 -6.079 -5.615 1.00 0.00 H new ATOM 0 HB3 TRP A 83 2.962 -6.624 -6.815 1.00 0.00 H new ATOM 0 HD1 TRP A 83 2.090 -9.448 -6.191 1.00 0.00 H new ATOM 0 HE1 TRP A 83 1.313 -10.304 -3.857 1.00 0.00 H new ATOM 0 HE3 TRP A 83 4.179 -5.859 -3.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 1.588 -9.482 -1.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 3.903 -5.897 -0.930 1.00 0.00 H new ATOM 0 HH2 TRP A 83 2.620 -7.689 0.165 1.00 0.00 H new ATOM 981 N LYS A 84 5.054 -5.787 -8.375 1.00 0.00 N ATOM 982 CA LYS A 84 5.796 -4.830 -9.190 1.00 0.00 C ATOM 983 C LYS A 84 6.569 -3.869 -8.322 1.00 0.00 C ATOM 984 O LYS A 84 7.808 -3.887 -8.272 1.00 0.00 O ATOM 985 CB LYS A 84 4.866 -4.043 -10.098 1.00 0.00 C ATOM 986 CG LYS A 84 4.098 -4.853 -11.119 1.00 0.00 C ATOM 987 CD LYS A 84 3.071 -3.974 -11.823 1.00 0.00 C ATOM 988 CE LYS A 84 3.717 -2.850 -12.630 1.00 0.00 C ATOM 989 NZ LYS A 84 2.719 -1.869 -13.097 1.00 0.00 N ATOM 0 H LYS A 84 4.044 -5.646 -8.360 1.00 0.00 H new ATOM 0 HA LYS A 84 6.492 -5.402 -9.804 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.150 -3.506 -9.475 1.00 0.00 H new ATOM 0 HB3 LYS A 84 5.454 -3.293 -10.626 1.00 0.00 H new ATOM 0 HG2 LYS A 84 4.786 -5.277 -11.850 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.598 -5.689 -10.630 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.464 -4.590 -12.486 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.397 -3.544 -11.082 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.464 -2.345 -12.017 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.241 -3.272 -13.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.201 -0.992 -13.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.202 -2.260 -13.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.049 -1.662 -12.329 1.00 0.00 H new ATOM 1003 N GLY A 85 5.836 -3.041 -7.665 1.00 0.00 N ATOM 1004 CA GLY A 85 6.363 -2.065 -6.834 1.00 0.00 C ATOM 1005 C GLY A 85 6.543 -0.784 -7.509 1.00 0.00 C ATOM 1006 O GLY A 85 7.449 -0.597 -8.333 1.00 0.00 O ATOM 0 H GLY A 85 4.817 -3.041 -7.706 1.00 0.00 H new ATOM 0 HA2 GLY A 85 5.703 -1.929 -5.977 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.324 -2.404 -6.446 1.00 0.00 H new ATOM 1010 N PRO A 86 5.708 0.112 -7.167 1.00 0.00 N ATOM 1011 CA PRO A 86 5.686 1.418 -7.717 1.00 0.00 C ATOM 1012 C PRO A 86 6.611 2.334 -6.940 1.00 0.00 C ATOM 1013 O PRO A 86 7.281 1.892 -6.025 1.00 0.00 O ATOM 1014 CB PRO A 86 4.241 1.776 -7.548 1.00 0.00 C ATOM 1015 CG PRO A 86 3.819 1.107 -6.291 1.00 0.00 C ATOM 1016 CD PRO A 86 4.719 -0.040 -6.104 1.00 0.00 C ATOM 0 HA PRO A 86 6.031 1.498 -8.748 1.00 0.00 H new ATOM 0 HB2 PRO A 86 4.108 2.856 -7.483 1.00 0.00 H new ATOM 0 HB3 PRO A 86 3.648 1.432 -8.396 1.00 0.00 H new ATOM 0 HG2 PRO A 86 3.884 1.793 -5.446 1.00 0.00 H new ATOM 0 HG3 PRO A 86 2.782 0.779 -6.356 1.00 0.00 H new ATOM 0 HD2 PRO A 86 5.186 -0.025 -5.119 1.00 0.00 H new ATOM 0 HD3 PRO A 86 4.184 -0.986 -6.189 1.00 0.00 H new ATOM 1024 N ASP A 87 6.684 3.572 -7.326 1.00 0.00 N ATOM 1025 CA ASP A 87 7.553 4.535 -6.642 1.00 0.00 C ATOM 1026 C ASP A 87 7.109 4.783 -5.219 1.00 0.00 C ATOM 1027 O ASP A 87 7.928 4.959 -4.301 1.00 0.00 O ATOM 1028 CB ASP A 87 7.626 5.837 -7.402 1.00 0.00 C ATOM 1029 CG ASP A 87 8.489 5.736 -8.623 1.00 0.00 C ATOM 1030 OD1 ASP A 87 9.729 5.865 -8.486 1.00 0.00 O ATOM 1031 OD2 ASP A 87 7.957 5.516 -9.735 1.00 0.00 O ATOM 0 H ASP A 87 6.159 3.958 -8.110 1.00 0.00 H new ATOM 0 HA ASP A 87 8.550 4.095 -6.608 1.00 0.00 H new ATOM 0 HB2 ASP A 87 6.621 6.141 -7.694 1.00 0.00 H new ATOM 0 HB3 ASP A 87 8.017 6.616 -6.747 1.00 0.00 H new ATOM 1036 N ASP A 88 5.834 4.779 -5.043 1.00 0.00 N ATOM 1037 CA ASP A 88 5.201 4.958 -3.768 1.00 0.00 C ATOM 1038 C ASP A 88 3.859 4.321 -3.799 1.00 0.00 C ATOM 1039 O ASP A 88 3.145 4.407 -4.803 1.00 0.00 O ATOM 1040 CB ASP A 88 5.151 6.437 -3.303 1.00 0.00 C ATOM 1041 CG ASP A 88 4.538 7.407 -4.304 1.00 0.00 C ATOM 1042 OD1 ASP A 88 5.149 7.655 -5.367 1.00 0.00 O ATOM 1043 OD2 ASP A 88 3.461 7.954 -4.057 1.00 0.00 O ATOM 0 H ASP A 88 5.172 4.647 -5.807 1.00 0.00 H new ATOM 0 HA ASP A 88 5.813 4.463 -3.014 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.584 6.491 -2.374 1.00 0.00 H new ATOM 0 HB3 ASP A 88 6.165 6.765 -3.077 1.00 0.00 H new ATOM 1048 N ILE A 89 3.570 3.615 -2.746 1.00 0.00 N ATOM 1049 CA ILE A 89 2.339 2.852 -2.581 1.00 0.00 C ATOM 1050 C ILE A 89 1.437 3.568 -1.652 1.00 0.00 C ATOM 1051 O ILE A 89 1.912 4.292 -0.773 1.00 0.00 O ATOM 1052 CB ILE A 89 2.589 1.482 -1.963 1.00 0.00 C ATOM 1053 CG1 ILE A 89 3.187 1.628 -0.557 1.00 0.00 C ATOM 1054 CG2 ILE A 89 3.491 0.720 -2.863 1.00 0.00 C ATOM 1055 CD1 ILE A 89 4.688 1.645 -0.433 1.00 0.00 C ATOM 0 H ILE A 89 4.196 3.543 -1.944 1.00 0.00 H new ATOM 0 HA ILE A 89 1.908 2.735 -3.575 1.00 0.00 H new ATOM 0 HB ILE A 89 1.650 0.940 -1.855 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.804 2.552 -0.124 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.809 0.809 0.055 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.682 -0.265 -2.437 1.00 0.00 H new ATOM 0 HG22 ILE A 89 3.021 0.608 -3.840 1.00 0.00 H new ATOM 0 HG23 ILE A 89 4.433 1.257 -2.973 1.00 0.00 H new ATOM 0 HD11 ILE A 89 4.965 1.753 0.616 1.00 0.00 H new ATOM 0 HD12 ILE A 89 5.096 0.712 -0.822 1.00 0.00 H new ATOM 0 HD13 ILE A 89 5.091 2.482 -1.003 1.00 0.00 H new ATOM 1067 N LEU A 90 0.159 3.399 -1.794 1.00 0.00 N ATOM 1068 CA LEU A 90 -0.709 4.087 -0.937 1.00 0.00 C ATOM 1069 C LEU A 90 -0.667 3.443 0.409 1.00 0.00 C ATOM 1070 O LEU A 90 -0.636 2.214 0.521 1.00 0.00 O ATOM 1071 CB LEU A 90 -2.143 4.165 -1.485 1.00 0.00 C ATOM 1072 CG LEU A 90 -2.839 5.515 -1.523 1.00 0.00 C ATOM 1073 CD1 LEU A 90 -4.145 5.356 -2.198 1.00 0.00 C ATOM 1074 CD2 LEU A 90 -3.073 6.063 -0.160 1.00 0.00 C ATOM 0 H LEU A 90 -0.285 2.798 -2.488 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.371 5.120 -0.858 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -2.130 3.772 -2.501 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -2.761 3.492 -0.891 1.00 0.00 H new ATOM 0 HG LEU A 90 -2.194 6.210 -2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -4.656 6.318 -2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.988 4.992 -3.213 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.755 4.641 -1.646 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.573 7.029 -0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.700 5.374 0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.118 6.188 0.351 1.00 0.00 H new ATOM 1086 N LEU A 91 -0.621 4.265 1.406 1.00 0.00 N ATOM 1087 CA LEU A 91 -0.666 3.809 2.737 1.00 0.00 C ATOM 1088 C LEU A 91 -2.074 3.669 3.044 1.00 0.00 C ATOM 1089 O LEU A 91 -2.923 4.320 2.440 1.00 0.00 O ATOM 1090 CB LEU A 91 -0.129 4.833 3.692 1.00 0.00 C ATOM 1091 CG LEU A 91 1.060 4.475 4.597 1.00 0.00 C ATOM 1092 CD1 LEU A 91 2.043 3.575 3.923 1.00 0.00 C ATOM 1093 CD2 LEU A 91 1.745 5.732 5.050 1.00 0.00 C ATOM 0 H LEU A 91 -0.551 5.278 1.308 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.081 2.895 2.834 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.158 5.707 3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.951 5.139 4.339 1.00 0.00 H new ATOM 0 HG LEU A 91 0.664 3.932 5.455 1.00 0.00 H new ATOM 0 HD11 LEU A 91 2.862 3.354 4.607 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.549 2.647 3.636 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.436 4.067 3.033 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.588 5.476 5.692 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.105 6.284 4.181 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.040 6.350 5.606 1.00 0.00 H new ATOM 1105 N GLY A 92 -2.333 2.945 4.013 1.00 0.00 N ATOM 1106 CA GLY A 92 -3.688 2.705 4.360 1.00 0.00 C ATOM 1107 C GLY A 92 -4.089 3.676 5.389 1.00 0.00 C ATOM 1108 O GLY A 92 -4.607 3.323 6.449 1.00 0.00 O ATOM 0 H GLY A 92 -1.640 2.489 4.606 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -4.326 2.800 3.481 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -3.808 1.688 4.733 1.00 0.00 H new ATOM 1112 N MET A 93 -3.846 4.901 5.068 1.00 0.00 N ATOM 1113 CA MET A 93 -3.963 5.947 5.926 1.00 0.00 C ATOM 1114 C MET A 93 -4.809 6.979 5.337 1.00 0.00 C ATOM 1115 O MET A 93 -4.598 7.390 4.196 1.00 0.00 O ATOM 1116 CB MET A 93 -2.613 6.469 6.266 1.00 0.00 C ATOM 1117 CG MET A 93 -2.589 7.837 6.837 1.00 0.00 C ATOM 1118 SD MET A 93 -0.950 8.559 6.815 1.00 0.00 S ATOM 1119 CE MET A 93 -0.004 7.322 7.662 1.00 0.00 C ATOM 0 H MET A 93 -3.544 5.177 4.134 1.00 0.00 H new ATOM 0 HA MET A 93 -4.437 5.617 6.850 1.00 0.00 H new ATOM 0 HB2 MET A 93 -2.146 5.788 6.978 1.00 0.00 H new ATOM 0 HB3 MET A 93 -2.000 6.458 5.365 1.00 0.00 H new ATOM 0 HG2 MET A 93 -3.271 8.474 6.274 1.00 0.00 H new ATOM 0 HG3 MET A 93 -2.955 7.806 7.863 1.00 0.00 H new ATOM 0 HE1 MET A 93 0.560 7.786 8.471 1.00 0.00 H new ATOM 0 HE2 MET A 93 -0.676 6.568 8.073 1.00 0.00 H new ATOM 0 HE3 MET A 93 0.687 6.850 6.963 1.00 0.00 H new ATOM 1129 N PHE A 94 -5.745 7.415 6.082 1.00 0.00 N ATOM 1130 CA PHE A 94 -6.645 8.358 5.585 1.00 0.00 C ATOM 1131 C PHE A 94 -6.589 9.560 6.408 1.00 0.00 C ATOM 1132 O PHE A 94 -6.107 9.524 7.541 1.00 0.00 O ATOM 1133 CB PHE A 94 -8.051 7.786 5.487 1.00 0.00 C ATOM 1134 CG PHE A 94 -8.757 7.436 6.745 1.00 0.00 C ATOM 1135 CD1 PHE A 94 -8.489 6.280 7.305 1.00 0.00 C ATOM 1136 CD2 PHE A 94 -9.726 8.242 7.305 1.00 0.00 C ATOM 1137 CE1 PHE A 94 -9.108 5.832 8.403 1.00 0.00 C ATOM 1138 CE2 PHE A 94 -10.376 7.823 8.442 1.00 0.00 C ATOM 1139 CZ PHE A 94 -10.048 6.590 8.979 1.00 0.00 C ATOM 0 H PHE A 94 -5.904 7.127 7.047 1.00 0.00 H new ATOM 0 HA PHE A 94 -6.359 8.628 4.568 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -8.667 8.507 4.950 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -8.002 6.887 4.872 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -7.729 5.658 6.856 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -9.972 9.193 6.855 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -8.852 4.869 8.820 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -11.128 8.444 8.907 1.00 0.00 H new ATOM 0 HZ PHE A 94 -10.553 6.238 9.867 1.00 0.00 H new ATOM 1149 N TYR A 95 -7.052 10.604 5.872 1.00 0.00 N ATOM 1150 CA TYR A 95 -7.026 11.830 6.557 1.00 0.00 C ATOM 1151 C TYR A 95 -8.399 12.174 6.972 1.00 0.00 C ATOM 1152 O TYR A 95 -9.241 12.538 6.157 1.00 0.00 O ATOM 1153 CB TYR A 95 -6.379 12.961 5.749 1.00 0.00 C ATOM 1154 CG TYR A 95 -6.310 14.264 6.507 1.00 0.00 C ATOM 1155 CD1 TYR A 95 -5.798 14.291 7.782 1.00 0.00 C ATOM 1156 CD2 TYR A 95 -6.746 15.455 5.948 1.00 0.00 C ATOM 1157 CE1 TYR A 95 -5.704 15.454 8.496 1.00 0.00 C ATOM 1158 CE2 TYR A 95 -6.663 16.643 6.653 1.00 0.00 C ATOM 1159 CZ TYR A 95 -6.138 16.637 7.929 1.00 0.00 C ATOM 1160 OH TYR A 95 -6.020 17.821 8.632 1.00 0.00 O ATOM 0 H TYR A 95 -7.464 10.641 4.940 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.393 11.712 7.437 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -5.372 12.662 5.459 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -6.944 13.112 4.829 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.461 13.369 8.232 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -7.156 15.456 4.949 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -5.294 15.448 9.495 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -7.006 17.566 6.209 1.00 0.00 H new ATOM 0 HH TYR A 95 -6.371 18.559 8.091 1.00 0.00 H new ATOM 1170 N ASP A 96 -8.630 12.012 8.220 1.00 0.00 N ATOM 1171 CA ASP A 96 -9.871 12.328 8.799 1.00 0.00 C ATOM 1172 C ASP A 96 -9.863 13.795 8.962 1.00 0.00 C ATOM 1173 O ASP A 96 -8.999 14.308 9.646 1.00 0.00 O ATOM 1174 CB ASP A 96 -9.918 11.755 10.153 1.00 0.00 C ATOM 1175 CG ASP A 96 -11.266 11.849 10.794 1.00 0.00 C ATOM 1176 OD1 ASP A 96 -11.702 12.947 11.121 1.00 0.00 O ATOM 1177 OD2 ASP A 96 -11.910 10.802 10.986 1.00 0.00 O ATOM 0 H ASP A 96 -7.943 11.647 8.879 1.00 0.00 H new ATOM 0 HA ASP A 96 -10.702 11.960 8.198 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.619 10.708 10.106 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -9.189 12.267 10.781 1.00 0.00 H new ATOM 1182 N THR A 97 -10.737 14.473 8.349 1.00 0.00 N ATOM 1183 CA THR A 97 -10.709 15.904 8.418 1.00 0.00 C ATOM 1184 C THR A 97 -11.458 16.459 9.607 1.00 0.00 C ATOM 1185 O THR A 97 -11.401 17.653 9.892 1.00 0.00 O ATOM 1186 CB THR A 97 -11.232 16.488 7.142 1.00 0.00 C ATOM 1187 OG1 THR A 97 -12.548 15.963 6.881 1.00 0.00 O ATOM 1188 CG2 THR A 97 -10.300 16.122 6.017 1.00 0.00 C ATOM 0 H THR A 97 -11.491 14.079 7.787 1.00 0.00 H new ATOM 0 HA THR A 97 -9.667 16.195 8.554 1.00 0.00 H new ATOM 0 HB THR A 97 -11.291 17.573 7.225 1.00 0.00 H new ATOM 0 HG1 THR A 97 -12.893 16.345 6.047 1.00 0.00 H new ATOM 0 HG21 THR A 97 -10.673 16.543 5.084 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.307 16.520 6.223 1.00 0.00 H new ATOM 0 HG23 THR A 97 -10.245 15.037 5.929 1.00 0.00 H new ATOM 1196 N ASP A 98 -12.130 15.599 10.301 1.00 0.00 N ATOM 1197 CA ASP A 98 -12.898 15.997 11.475 1.00 0.00 C ATOM 1198 C ASP A 98 -12.005 16.087 12.670 1.00 0.00 C ATOM 1199 O ASP A 98 -12.048 17.050 13.436 1.00 0.00 O ATOM 1200 CB ASP A 98 -13.998 15.005 11.755 1.00 0.00 C ATOM 1201 CG ASP A 98 -14.832 15.392 12.957 1.00 0.00 C ATOM 1202 OD1 ASP A 98 -15.594 16.374 12.865 1.00 0.00 O ATOM 1203 OD2 ASP A 98 -14.761 14.695 14.009 1.00 0.00 O ATOM 0 H ASP A 98 -12.173 14.603 10.086 1.00 0.00 H new ATOM 0 HA ASP A 98 -13.340 16.973 11.273 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -14.643 14.925 10.880 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -13.562 14.020 11.921 1.00 0.00 H new ATOM 1208 N ASP A 99 -11.192 15.078 12.827 1.00 0.00 N ATOM 1209 CA ASP A 99 -10.234 15.040 13.931 1.00 0.00 C ATOM 1210 C ASP A 99 -8.964 15.641 13.472 1.00 0.00 C ATOM 1211 O ASP A 99 -8.146 16.118 14.270 1.00 0.00 O ATOM 1212 CB ASP A 99 -9.945 13.622 14.409 1.00 0.00 C ATOM 1213 CG ASP A 99 -11.132 12.913 15.013 1.00 0.00 C ATOM 1214 OD1 ASP A 99 -11.516 13.221 16.159 1.00 0.00 O ATOM 1215 OD2 ASP A 99 -11.695 12.018 14.373 1.00 0.00 O ATOM 0 H ASP A 99 -11.163 14.265 12.212 1.00 0.00 H new ATOM 0 HA ASP A 99 -10.670 15.591 14.764 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -9.577 13.036 13.567 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -9.144 13.657 15.147 1.00 0.00 H new ATOM 1220 N ALA A 100 -8.823 15.631 12.163 1.00 0.00 N ATOM 1221 CA ALA A 100 -7.660 16.081 11.464 1.00 0.00 C ATOM 1222 C ALA A 100 -6.471 15.269 11.842 1.00 0.00 C ATOM 1223 O ALA A 100 -5.512 15.756 12.431 1.00 0.00 O ATOM 1224 CB ALA A 100 -7.433 17.583 11.538 1.00 0.00 C ATOM 0 H ALA A 100 -9.555 15.292 11.539 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.840 15.910 10.403 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.532 17.843 10.983 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.288 18.102 11.105 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.317 17.882 12.580 1.00 0.00 H new ATOM 1230 N SER A 101 -6.561 14.000 11.554 1.00 0.00 N ATOM 1231 CA SER A 101 -5.515 13.109 11.864 1.00 0.00 C ATOM 1232 C SER A 101 -5.438 12.074 10.794 1.00 0.00 C ATOM 1233 O SER A 101 -6.421 11.835 10.065 1.00 0.00 O ATOM 1234 CB SER A 101 -5.801 12.424 13.182 1.00 0.00 C ATOM 1235 OG SER A 101 -6.058 13.366 14.217 1.00 0.00 O ATOM 0 H SER A 101 -7.366 13.570 11.099 1.00 0.00 H new ATOM 0 HA SER A 101 -4.576 13.658 11.935 1.00 0.00 H new ATOM 0 HB2 SER A 101 -6.660 11.762 13.070 1.00 0.00 H new ATOM 0 HB3 SER A 101 -4.952 11.800 13.460 1.00 0.00 H new ATOM 0 HG SER A 101 -6.240 12.890 15.054 1.00 0.00 H new ATOM 1241 N PHE A 102 -4.314 11.481 10.698 1.00 0.00 N ATOM 1242 CA PHE A 102 -4.096 10.414 9.800 1.00 0.00 C ATOM 1243 C PHE A 102 -4.398 9.162 10.505 1.00 0.00 C ATOM 1244 O PHE A 102 -4.107 9.019 11.708 1.00 0.00 O ATOM 1245 CB PHE A 102 -2.713 10.431 9.244 1.00 0.00 C ATOM 1246 CG PHE A 102 -2.497 11.584 8.400 1.00 0.00 C ATOM 1247 CD1 PHE A 102 -3.005 11.590 7.132 1.00 0.00 C ATOM 1248 CD2 PHE A 102 -1.818 12.686 8.878 1.00 0.00 C ATOM 1249 CE1 PHE A 102 -2.836 12.690 6.341 1.00 0.00 C ATOM 1250 CE2 PHE A 102 -1.641 13.784 8.095 1.00 0.00 C ATOM 1251 CZ PHE A 102 -2.150 13.793 6.826 1.00 0.00 C ATOM 0 H PHE A 102 -3.496 11.729 11.255 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.755 10.513 8.937 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -1.991 10.436 10.061 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -2.539 9.521 8.670 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -3.538 10.729 6.757 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -1.423 12.677 9.883 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.236 12.701 5.338 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -1.103 14.641 8.472 1.00 0.00 H new ATOM 0 HZ PHE A 102 -2.017 14.662 6.199 1.00 0.00 H new ATOM 1261 N LYS A 103 -4.995 8.258 9.813 1.00 0.00 N ATOM 1262 CA LYS A 103 -5.588 7.143 10.453 1.00 0.00 C ATOM 1263 C LYS A 103 -5.394 5.944 9.641 1.00 0.00 C ATOM 1264 O LYS A 103 -5.387 6.029 8.437 1.00 0.00 O ATOM 1265 CB LYS A 103 -7.084 7.407 10.610 1.00 0.00 C ATOM 1266 CG LYS A 103 -7.368 8.726 11.258 1.00 0.00 C ATOM 1267 CD LYS A 103 -8.783 8.870 11.711 1.00 0.00 C ATOM 1268 CE LYS A 103 -8.966 10.050 12.646 1.00 0.00 C ATOM 1269 NZ LYS A 103 -10.323 10.033 13.238 1.00 0.00 N ATOM 0 H LYS A 103 -5.085 8.271 8.797 1.00 0.00 H new ATOM 0 HA LYS A 103 -5.127 6.992 11.429 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -7.560 7.377 9.630 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.530 6.610 11.205 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -6.705 8.852 12.114 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -7.136 9.526 10.555 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -9.430 8.992 10.843 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -9.096 7.956 12.216 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -8.217 10.015 13.437 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -8.811 10.981 12.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -10.476 10.907 13.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -11.032 9.968 12.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -10.416 9.212 13.870 1.00 0.00 H new ATOM 1283 N TRP A 104 -5.228 4.846 10.275 1.00 0.00 N ATOM 1284 CA TRP A 104 -5.109 3.628 9.587 1.00 0.00 C ATOM 1285 C TRP A 104 -6.478 3.102 9.302 1.00 0.00 C ATOM 1286 O TRP A 104 -7.359 3.154 10.166 1.00 0.00 O ATOM 1287 CB TRP A 104 -4.321 2.606 10.410 1.00 0.00 C ATOM 1288 CG TRP A 104 -2.873 2.945 10.610 1.00 0.00 C ATOM 1289 CD1 TRP A 104 -2.199 3.011 11.791 1.00 0.00 C ATOM 1290 CD2 TRP A 104 -1.921 3.282 9.591 1.00 0.00 C ATOM 1291 NE1 TRP A 104 -0.885 3.327 11.559 1.00 0.00 N ATOM 1292 CE2 TRP A 104 -0.696 3.513 10.227 1.00 0.00 C ATOM 1293 CE3 TRP A 104 -1.988 3.401 8.207 1.00 0.00 C ATOM 1294 CZ2 TRP A 104 0.450 3.860 9.526 1.00 0.00 C ATOM 1295 CZ3 TRP A 104 -0.862 3.743 7.518 1.00 0.00 C ATOM 1296 CH2 TRP A 104 0.348 3.972 8.175 1.00 0.00 C ATOM 0 H TRP A 104 -5.171 4.771 11.291 1.00 0.00 H new ATOM 0 HA TRP A 104 -4.568 3.797 8.656 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -4.794 2.503 11.386 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -4.388 1.635 9.919 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -2.634 2.840 12.765 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -0.163 3.409 12.275 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -2.918 3.225 7.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 1.387 4.034 10.034 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -0.907 3.839 6.443 1.00 0.00 H new ATOM 0 HH2 TRP A 104 1.220 4.243 7.599 1.00 0.00 H new ATOM 1307 N PHE A 105 -6.669 2.600 8.100 1.00 0.00 N ATOM 1308 CA PHE A 105 -7.918 1.948 7.735 1.00 0.00 C ATOM 1309 C PHE A 105 -8.148 0.736 8.566 1.00 0.00 C ATOM 1310 O PHE A 105 -9.277 0.296 8.735 1.00 0.00 O ATOM 1311 CB PHE A 105 -7.987 1.591 6.267 1.00 0.00 C ATOM 1312 CG PHE A 105 -8.492 2.690 5.444 1.00 0.00 C ATOM 1313 CD1 PHE A 105 -9.757 3.176 5.675 1.00 0.00 C ATOM 1314 CD2 PHE A 105 -7.729 3.266 4.458 1.00 0.00 C ATOM 1315 CE1 PHE A 105 -10.241 4.198 4.941 1.00 0.00 C ATOM 1316 CE2 PHE A 105 -8.205 4.269 3.743 1.00 0.00 C ATOM 1317 CZ PHE A 105 -9.466 4.745 3.974 1.00 0.00 C ATOM 0 H PHE A 105 -5.975 2.629 7.353 1.00 0.00 H new ATOM 0 HA PHE A 105 -8.709 2.673 7.929 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -6.994 1.308 5.919 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -8.630 0.720 6.138 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -10.367 2.736 6.450 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -6.733 2.896 4.266 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -11.236 4.577 5.122 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -7.595 4.716 2.972 1.00 0.00 H new ATOM 0 HZ PHE A 105 -9.847 5.563 3.381 1.00 0.00 H new ATOM 1327 N ASP A 106 -7.077 0.251 9.157 1.00 0.00 N ATOM 1328 CA ASP A 106 -7.146 -0.912 10.047 1.00 0.00 C ATOM 1329 C ASP A 106 -7.868 -0.541 11.361 1.00 0.00 C ATOM 1330 O ASP A 106 -8.204 -1.403 12.159 1.00 0.00 O ATOM 1331 CB ASP A 106 -5.736 -1.447 10.335 1.00 0.00 C ATOM 1332 CG ASP A 106 -5.713 -2.706 11.189 1.00 0.00 C ATOM 1333 OD1 ASP A 106 -5.981 -3.802 10.663 1.00 0.00 O ATOM 1334 OD2 ASP A 106 -5.384 -2.621 12.399 1.00 0.00 O ATOM 0 H ASP A 106 -6.140 0.638 9.043 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.717 -1.698 9.552 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -5.237 -1.654 9.388 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -5.159 -0.670 10.837 1.00 0.00 H new ATOM 1339 N ASN A 107 -8.093 0.774 11.557 1.00 0.00 N ATOM 1340 CA ASN A 107 -8.790 1.343 12.736 1.00 0.00 C ATOM 1341 C ASN A 107 -7.953 1.259 13.981 1.00 0.00 C ATOM 1342 O ASN A 107 -8.435 1.480 15.090 1.00 0.00 O ATOM 1343 CB ASN A 107 -10.205 0.759 12.990 1.00 0.00 C ATOM 1344 CG ASN A 107 -11.291 1.272 12.048 1.00 0.00 C ATOM 1345 OD1 ASN A 107 -12.432 1.464 12.466 1.00 0.00 O ATOM 1346 ND2 ASN A 107 -10.993 1.429 10.787 1.00 0.00 N ATOM 0 H ASN A 107 -7.792 1.485 10.891 1.00 0.00 H new ATOM 0 HA ASN A 107 -8.938 2.393 12.482 1.00 0.00 H new ATOM 0 HB2 ASN A 107 -10.155 -0.327 12.906 1.00 0.00 H new ATOM 0 HB3 ASN A 107 -10.497 0.986 14.015 1.00 0.00 H new ATOM 0 HD21 ASN A 107 -11.713 1.717 10.125 1.00 0.00 H new ATOM 0 HD22 ASN A 107 -10.040 1.264 10.464 1.00 0.00 H new ATOM 1353 N SER A 108 -6.706 0.975 13.800 1.00 0.00 N ATOM 1354 CA SER A 108 -5.800 0.920 14.882 1.00 0.00 C ATOM 1355 C SER A 108 -5.026 2.227 14.966 1.00 0.00 C ATOM 1356 O SER A 108 -5.009 3.012 13.995 1.00 0.00 O ATOM 1357 CB SER A 108 -4.900 -0.299 14.736 1.00 0.00 C ATOM 1358 OG SER A 108 -4.404 -0.412 13.401 1.00 0.00 O ATOM 0 H SER A 108 -6.292 0.775 12.890 1.00 0.00 H new ATOM 0 HA SER A 108 -6.336 0.806 15.825 1.00 0.00 H new ATOM 0 HB2 SER A 108 -4.065 -0.225 15.433 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.455 -1.199 14.999 1.00 0.00 H new ATOM 0 HG SER A 108 -4.788 -1.207 12.975 1.00 0.00 H new ATOM 1364 N ASN A 109 -4.425 2.473 16.104 1.00 0.00 N ATOM 1365 CA ASN A 109 -3.692 3.701 16.354 1.00 0.00 C ATOM 1366 C ASN A 109 -2.467 3.778 15.488 1.00 0.00 C ATOM 1367 O ASN A 109 -1.807 2.766 15.223 1.00 0.00 O ATOM 1368 CB ASN A 109 -3.237 3.773 17.816 1.00 0.00 C ATOM 1369 CG ASN A 109 -2.555 5.051 18.182 1.00 0.00 C ATOM 1370 OD1 ASN A 109 -2.800 6.107 17.603 1.00 0.00 O ATOM 1371 ND2 ASN A 109 -1.738 4.984 19.164 1.00 0.00 N ATOM 0 H ASN A 109 -4.428 1.825 16.892 1.00 0.00 H new ATOM 0 HA ASN A 109 -4.364 4.528 16.127 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -4.105 3.639 18.462 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -2.560 2.943 18.016 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -1.264 5.826 19.492 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -1.560 4.089 19.619 1.00 0.00 H new ATOM 1378 N MET A 110 -2.167 4.951 15.035 1.00 0.00 N ATOM 1379 CA MET A 110 -0.944 5.171 14.349 1.00 0.00 C ATOM 1380 C MET A 110 0.151 5.284 15.387 1.00 0.00 C ATOM 1381 O MET A 110 0.375 6.340 15.971 1.00 0.00 O ATOM 1382 CB MET A 110 -1.048 6.406 13.500 1.00 0.00 C ATOM 1383 CG MET A 110 0.179 6.719 12.666 1.00 0.00 C ATOM 1384 SD MET A 110 -0.159 8.035 11.494 1.00 0.00 S ATOM 1385 CE MET A 110 -1.559 7.305 10.644 1.00 0.00 C ATOM 0 H MET A 110 -2.760 5.776 15.131 1.00 0.00 H new ATOM 0 HA MET A 110 -0.713 4.345 13.676 1.00 0.00 H new ATOM 0 HB2 MET A 110 -1.904 6.299 12.833 1.00 0.00 H new ATOM 0 HB3 MET A 110 -1.254 7.257 14.148 1.00 0.00 H new ATOM 0 HG2 MET A 110 1.002 7.011 13.319 1.00 0.00 H new ATOM 0 HG3 MET A 110 0.498 5.824 12.132 1.00 0.00 H new ATOM 0 HE1 MET A 110 -1.776 7.878 9.742 1.00 0.00 H new ATOM 0 HE2 MET A 110 -1.323 6.276 10.372 1.00 0.00 H new ATOM 0 HE3 MET A 110 -2.429 7.317 11.300 1.00 0.00 H new ATOM 1395 N THR A 111 0.740 4.160 15.682 1.00 0.00 N ATOM 1396 CA THR A 111 1.723 4.054 16.707 1.00 0.00 C ATOM 1397 C THR A 111 3.141 4.305 16.177 1.00 0.00 C ATOM 1398 O THR A 111 4.058 4.617 16.949 1.00 0.00 O ATOM 1399 CB THR A 111 1.617 2.660 17.348 1.00 0.00 C ATOM 1400 OG1 THR A 111 1.610 1.660 16.307 1.00 0.00 O ATOM 1401 CG2 THR A 111 0.329 2.538 18.170 1.00 0.00 C ATOM 0 H THR A 111 0.543 3.280 15.205 1.00 0.00 H new ATOM 0 HA THR A 111 1.533 4.824 17.454 1.00 0.00 H new ATOM 0 HB THR A 111 2.471 2.513 18.010 1.00 0.00 H new ATOM 0 HG1 THR A 111 0.707 1.290 16.215 1.00 0.00 H new ATOM 0 HG21 THR A 111 0.274 1.544 18.615 1.00 0.00 H new ATOM 0 HG22 THR A 111 0.329 3.289 18.960 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.533 2.693 17.521 1.00 0.00 H new ATOM 1409 N PHE A 112 3.303 4.203 14.869 1.00 0.00 N ATOM 1410 CA PHE A 112 4.588 4.382 14.238 1.00 0.00 C ATOM 1411 C PHE A 112 4.417 5.283 13.052 1.00 0.00 C ATOM 1412 O PHE A 112 3.315 5.343 12.483 1.00 0.00 O ATOM 1413 CB PHE A 112 5.147 3.042 13.768 1.00 0.00 C ATOM 1414 CG PHE A 112 6.594 3.117 13.408 1.00 0.00 C ATOM 1415 CD1 PHE A 112 7.569 3.138 14.381 1.00 0.00 C ATOM 1416 CD2 PHE A 112 6.962 3.207 12.104 1.00 0.00 C ATOM 1417 CE1 PHE A 112 8.897 3.243 14.041 1.00 0.00 C ATOM 1418 CE2 PHE A 112 8.282 3.321 11.743 1.00 0.00 C ATOM 1419 CZ PHE A 112 9.256 3.341 12.718 1.00 0.00 C ATOM 0 H PHE A 112 2.545 3.994 14.220 1.00 0.00 H new ATOM 0 HA PHE A 112 5.282 4.818 14.957 1.00 0.00 H new ATOM 0 HB2 PHE A 112 5.010 2.300 14.554 1.00 0.00 H new ATOM 0 HB3 PHE A 112 4.579 2.699 12.903 1.00 0.00 H new ATOM 0 HD1 PHE A 112 7.287 3.071 15.421 1.00 0.00 H new ATOM 0 HD2 PHE A 112 6.202 3.189 11.337 1.00 0.00 H new ATOM 0 HE1 PHE A 112 9.655 3.248 14.810 1.00 0.00 H new ATOM 0 HE2 PHE A 112 8.555 3.395 10.701 1.00 0.00 H new ATOM 0 HZ PHE A 112 10.296 3.433 12.444 1.00 0.00 H new ATOM 1429 N ASP A 113 5.487 5.967 12.663 1.00 0.00 N ATOM 1430 CA ASP A 113 5.441 6.849 11.535 1.00 0.00 C ATOM 1431 C ASP A 113 6.781 7.081 10.934 1.00 0.00 C ATOM 1432 O ASP A 113 7.813 7.043 11.607 1.00 0.00 O ATOM 1433 CB ASP A 113 4.743 8.182 11.839 1.00 0.00 C ATOM 1434 CG ASP A 113 5.435 9.029 12.900 1.00 0.00 C ATOM 1435 OD1 ASP A 113 6.521 9.598 12.636 1.00 0.00 O ATOM 1436 OD2 ASP A 113 4.886 9.168 14.011 1.00 0.00 O ATOM 0 H ASP A 113 6.395 5.917 13.124 1.00 0.00 H new ATOM 0 HA ASP A 113 4.832 6.329 10.796 1.00 0.00 H new ATOM 0 HB2 ASP A 113 4.675 8.760 10.918 1.00 0.00 H new ATOM 0 HB3 ASP A 113 3.723 7.978 12.163 1.00 0.00 H new ATOM 1441 N LYS A 114 6.756 7.248 9.640 1.00 0.00 N ATOM 1442 CA LYS A 114 7.906 7.579 8.873 1.00 0.00 C ATOM 1443 C LYS A 114 7.563 8.785 8.019 1.00 0.00 C ATOM 1444 O LYS A 114 7.421 8.684 6.817 1.00 0.00 O ATOM 1445 CB LYS A 114 8.243 6.431 7.953 1.00 0.00 C ATOM 1446 CG LYS A 114 8.622 5.133 8.612 1.00 0.00 C ATOM 1447 CD LYS A 114 9.970 5.179 9.269 1.00 0.00 C ATOM 1448 CE LYS A 114 11.065 5.525 8.277 1.00 0.00 C ATOM 1449 NZ LYS A 114 11.112 4.680 7.091 1.00 0.00 N ATOM 0 H LYS A 114 5.907 7.153 9.083 1.00 0.00 H new ATOM 0 HA LYS A 114 8.750 7.785 9.531 1.00 0.00 H new ATOM 0 HB2 LYS A 114 7.384 6.248 7.307 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.066 6.740 7.309 1.00 0.00 H new ATOM 0 HG2 LYS A 114 7.869 4.878 9.358 1.00 0.00 H new ATOM 0 HG3 LYS A 114 8.615 4.338 7.866 1.00 0.00 H new ATOM 0 HD2 LYS A 114 9.959 5.917 10.071 1.00 0.00 H new ATOM 0 HD3 LYS A 114 10.185 4.213 9.727 1.00 0.00 H new ATOM 0 HE2 LYS A 114 10.935 6.560 7.962 1.00 0.00 H new ATOM 0 HE3 LYS A 114 12.027 5.465 8.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 12.007 4.840 6.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 11.048 3.681 7.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 10.315 4.915 6.466 1.00 0.00 H new ATOM 1463 N TRP A 115 7.400 9.899 8.633 1.00 0.00 N ATOM 1464 CA TRP A 115 7.015 11.092 7.910 1.00 0.00 C ATOM 1465 C TRP A 115 8.207 11.814 7.333 1.00 0.00 C ATOM 1466 O TRP A 115 9.354 11.597 7.755 1.00 0.00 O ATOM 1467 CB TRP A 115 6.203 12.037 8.791 1.00 0.00 C ATOM 1468 CG TRP A 115 4.858 11.546 9.113 1.00 0.00 C ATOM 1469 CD1 TRP A 115 4.426 11.142 10.295 1.00 0.00 C ATOM 1470 CD2 TRP A 115 3.775 11.433 8.220 1.00 0.00 C ATOM 1471 NE1 TRP A 115 3.112 10.746 10.219 1.00 0.00 N ATOM 1472 CE2 TRP A 115 2.688 10.920 8.934 1.00 0.00 C ATOM 1473 CE3 TRP A 115 3.629 11.710 6.884 1.00 0.00 C ATOM 1474 CZ2 TRP A 115 1.454 10.680 8.333 1.00 0.00 C ATOM 1475 CZ3 TRP A 115 2.433 11.477 6.293 1.00 0.00 C ATOM 1476 CH2 TRP A 115 1.351 10.968 7.000 1.00 0.00 C ATOM 0 H TRP A 115 7.524 10.027 9.637 1.00 0.00 H new ATOM 0 HA TRP A 115 6.389 10.765 7.080 1.00 0.00 H new ATOM 0 HB2 TRP A 115 6.748 12.209 9.719 1.00 0.00 H new ATOM 0 HB3 TRP A 115 6.116 13.001 8.289 1.00 0.00 H new ATOM 0 HD1 TRP A 115 5.022 11.125 11.195 1.00 0.00 H new ATOM 0 HE1 TRP A 115 2.551 10.384 10.990 1.00 0.00 H new ATOM 0 HE3 TRP A 115 4.455 12.108 6.313 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 0.619 10.285 8.893 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 2.317 11.693 5.241 1.00 0.00 H new ATOM 0 HH2 TRP A 115 0.415 10.797 6.490 1.00 0.00 H new ATOM 1487 N THR A 116 7.942 12.633 6.362 1.00 0.00 N ATOM 1488 CA THR A 116 8.927 13.470 5.770 1.00 0.00 C ATOM 1489 C THR A 116 8.381 14.884 5.773 1.00 0.00 C ATOM 1490 O THR A 116 7.179 15.081 6.015 1.00 0.00 O ATOM 1491 CB THR A 116 9.256 13.020 4.317 1.00 0.00 C ATOM 1492 OG1 THR A 116 10.333 13.792 3.773 1.00 0.00 O ATOM 1493 CG2 THR A 116 8.042 13.097 3.390 1.00 0.00 C ATOM 0 H THR A 116 7.013 12.737 5.954 1.00 0.00 H new ATOM 0 HA THR A 116 9.855 13.409 6.338 1.00 0.00 H new ATOM 0 HB THR A 116 9.558 11.974 4.379 1.00 0.00 H new ATOM 0 HG1 THR A 116 11.017 13.190 3.412 1.00 0.00 H new ATOM 0 HG21 THR A 116 8.327 12.772 2.389 1.00 0.00 H new ATOM 0 HG22 THR A 116 7.252 12.449 3.770 1.00 0.00 H new ATOM 0 HG23 THR A 116 7.680 14.124 3.349 1.00 0.00 H new ATOM 1593 N LEU A 124 -4.780 19.068 3.503 1.00 0.00 N ATOM 1594 CA LEU A 124 -3.932 18.378 2.592 1.00 0.00 C ATOM 1595 C LEU A 124 -4.715 17.259 1.928 1.00 0.00 C ATOM 1596 O LEU A 124 -4.213 16.188 1.644 1.00 0.00 O ATOM 1597 CB LEU A 124 -2.627 17.894 3.276 1.00 0.00 C ATOM 1598 CG LEU A 124 -2.666 17.339 4.726 1.00 0.00 C ATOM 1599 CD1 LEU A 124 -2.943 18.395 5.790 1.00 0.00 C ATOM 1600 CD2 LEU A 124 -3.602 16.176 4.855 1.00 0.00 C ATOM 0 HA LEU A 124 -3.604 19.063 1.810 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -2.200 17.116 2.643 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -1.928 18.731 3.269 1.00 0.00 H new ATOM 0 HG LEU A 124 -1.654 16.984 4.920 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -2.954 17.926 6.774 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -2.163 19.156 5.759 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -3.910 18.859 5.599 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -3.599 15.819 5.885 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -4.610 16.488 4.582 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -3.279 15.374 4.192 1.00 0.00 H new ATOM 1612 N VAL A 125 -5.937 17.583 1.618 1.00 0.00 N ATOM 1613 CA VAL A 125 -6.899 16.665 1.038 1.00 0.00 C ATOM 1614 C VAL A 125 -6.648 16.537 -0.485 1.00 0.00 C ATOM 1615 O VAL A 125 -7.166 15.644 -1.158 1.00 0.00 O ATOM 1616 CB VAL A 125 -8.345 17.199 1.327 1.00 0.00 C ATOM 1617 CG1 VAL A 125 -9.451 16.334 0.723 1.00 0.00 C ATOM 1618 CG2 VAL A 125 -8.559 17.346 2.826 1.00 0.00 C ATOM 0 H VAL A 125 -6.312 18.520 1.763 1.00 0.00 H new ATOM 0 HA VAL A 125 -6.791 15.675 1.482 1.00 0.00 H new ATOM 0 HB VAL A 125 -8.414 18.171 0.840 1.00 0.00 H new ATOM 0 HG11 VAL A 125 -10.423 16.765 0.964 1.00 0.00 H new ATOM 0 HG12 VAL A 125 -9.331 16.293 -0.360 1.00 0.00 H new ATOM 0 HG13 VAL A 125 -9.389 15.326 1.133 1.00 0.00 H new ATOM 0 HG21 VAL A 125 -9.566 17.717 3.015 1.00 0.00 H new ATOM 0 HG22 VAL A 125 -8.433 16.377 3.308 1.00 0.00 H new ATOM 0 HG23 VAL A 125 -7.831 18.049 3.230 1.00 0.00 H new ATOM 1628 N ASP A 126 -5.821 17.420 -0.988 1.00 0.00 N ATOM 1629 CA ASP A 126 -5.478 17.485 -2.419 1.00 0.00 C ATOM 1630 C ASP A 126 -4.508 16.367 -2.794 1.00 0.00 C ATOM 1631 O ASP A 126 -4.389 15.970 -3.954 1.00 0.00 O ATOM 1632 CB ASP A 126 -4.861 18.863 -2.728 1.00 0.00 C ATOM 1633 CG ASP A 126 -4.576 19.120 -4.199 1.00 0.00 C ATOM 1634 OD1 ASP A 126 -3.490 18.729 -4.702 1.00 0.00 O ATOM 1635 OD2 ASP A 126 -5.424 19.761 -4.868 1.00 0.00 O ATOM 0 H ASP A 126 -5.353 18.129 -0.423 1.00 0.00 H new ATOM 0 HA ASP A 126 -6.383 17.352 -3.011 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -5.536 19.637 -2.363 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -3.930 18.962 -2.170 1.00 0.00 H new ATOM 1640 N THR A 127 -3.888 15.829 -1.796 1.00 0.00 N ATOM 1641 CA THR A 127 -2.881 14.824 -1.941 1.00 0.00 C ATOM 1642 C THR A 127 -3.266 13.651 -1.060 1.00 0.00 C ATOM 1643 O THR A 127 -4.225 13.756 -0.285 1.00 0.00 O ATOM 1644 CB THR A 127 -1.496 15.406 -1.518 1.00 0.00 C ATOM 1645 OG1 THR A 127 -0.449 14.418 -1.594 1.00 0.00 O ATOM 1646 CG2 THR A 127 -1.557 15.972 -0.118 1.00 0.00 C ATOM 0 H THR A 127 -4.072 16.083 -0.826 1.00 0.00 H new ATOM 0 HA THR A 127 -2.804 14.495 -2.977 1.00 0.00 H new ATOM 0 HB THR A 127 -1.261 16.204 -2.222 1.00 0.00 H new ATOM 0 HG1 THR A 127 0.402 14.822 -1.323 1.00 0.00 H new ATOM 0 HG21 THR A 127 -0.581 16.372 0.156 1.00 0.00 H new ATOM 0 HG22 THR A 127 -2.299 16.769 -0.080 1.00 0.00 H new ATOM 0 HG23 THR A 127 -1.835 15.184 0.581 1.00 0.00 H new ATOM 1654 N CYS A 128 -2.558 12.552 -1.165 1.00 0.00 N ATOM 1655 CA CYS A 128 -2.853 11.404 -0.341 1.00 0.00 C ATOM 1656 C CYS A 128 -1.615 11.000 0.422 1.00 0.00 C ATOM 1657 O CYS A 128 -0.584 11.676 0.327 1.00 0.00 O ATOM 1658 CB CYS A 128 -3.282 10.224 -1.157 1.00 0.00 C ATOM 1659 SG CYS A 128 -4.055 10.586 -2.749 1.00 0.00 S ATOM 0 H CYS A 128 -1.777 12.428 -1.809 1.00 0.00 H new ATOM 0 HA CYS A 128 -3.664 11.690 0.329 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -2.409 9.597 -1.336 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -3.981 9.635 -0.564 1.00 0.00 H new ATOM 1664 N ALA A 129 -1.666 9.851 1.086 1.00 0.00 N ATOM 1665 CA ALA A 129 -0.542 9.416 1.836 1.00 0.00 C ATOM 1666 C ALA A 129 0.017 8.211 1.181 1.00 0.00 C ATOM 1667 O ALA A 129 -0.641 7.191 1.078 1.00 0.00 O ATOM 1668 CB ALA A 129 -0.984 9.023 3.260 1.00 0.00 C ATOM 0 H ALA A 129 -2.472 9.226 1.108 1.00 0.00 H new ATOM 0 HA ALA A 129 0.195 10.217 1.886 1.00 0.00 H new ATOM 0 HB1 ALA A 129 -0.117 8.690 3.831 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -1.434 9.885 3.752 1.00 0.00 H new ATOM 0 HB3 ALA A 129 -1.714 8.216 3.205 1.00 0.00 H new ATOM 1674 N PHE A 130 1.231 8.290 0.779 1.00 0.00 N ATOM 1675 CA PHE A 130 1.853 7.156 0.194 1.00 0.00 C ATOM 1676 C PHE A 130 3.167 6.988 0.806 1.00 0.00 C ATOM 1677 O PHE A 130 3.875 7.970 1.061 1.00 0.00 O ATOM 1678 CB PHE A 130 2.079 7.232 -1.332 1.00 0.00 C ATOM 1679 CG PHE A 130 0.872 7.229 -2.277 1.00 0.00 C ATOM 1680 CD1 PHE A 130 -0.197 8.082 -2.130 1.00 0.00 C ATOM 1681 CD2 PHE A 130 0.863 6.359 -3.356 1.00 0.00 C ATOM 1682 CE1 PHE A 130 -1.244 8.058 -3.039 1.00 0.00 C ATOM 1683 CE2 PHE A 130 -0.180 6.331 -4.251 1.00 0.00 C ATOM 1684 CZ PHE A 130 -1.234 7.184 -4.093 1.00 0.00 C ATOM 0 H PHE A 130 1.815 9.124 0.843 1.00 0.00 H new ATOM 0 HA PHE A 130 1.166 6.329 0.371 1.00 0.00 H new ATOM 0 HB2 PHE A 130 2.648 8.140 -1.533 1.00 0.00 H new ATOM 0 HB3 PHE A 130 2.713 6.390 -1.610 1.00 0.00 H new ATOM 0 HD1 PHE A 130 -0.221 8.775 -1.302 1.00 0.00 H new ATOM 0 HD2 PHE A 130 1.696 5.686 -3.497 1.00 0.00 H new ATOM 0 HE1 PHE A 130 -2.076 8.736 -2.914 1.00 0.00 H new ATOM 0 HE2 PHE A 130 -0.166 5.636 -5.077 1.00 0.00 H new ATOM 0 HZ PHE A 130 -2.055 7.170 -4.795 1.00 0.00 H new ATOM 1694 N LEU A 131 3.451 5.801 1.110 1.00 0.00 N ATOM 1695 CA LEU A 131 4.762 5.421 1.506 1.00 0.00 C ATOM 1696 C LEU A 131 5.694 5.309 0.297 1.00 0.00 C ATOM 1697 O LEU A 131 5.389 4.645 -0.688 1.00 0.00 O ATOM 1698 CB LEU A 131 4.674 4.133 2.224 1.00 0.00 C ATOM 1699 CG LEU A 131 5.932 3.382 2.449 1.00 0.00 C ATOM 1700 CD1 LEU A 131 6.885 4.126 3.304 1.00 0.00 C ATOM 1701 CD2 LEU A 131 5.632 2.036 2.999 1.00 0.00 C ATOM 0 H LEU A 131 2.778 5.035 1.097 1.00 0.00 H new ATOM 0 HA LEU A 131 5.182 6.184 2.162 1.00 0.00 H new ATOM 0 HB2 LEU A 131 4.218 4.321 3.196 1.00 0.00 H new ATOM 0 HB3 LEU A 131 3.992 3.487 1.671 1.00 0.00 H new ATOM 0 HG LEU A 131 6.425 3.258 1.485 1.00 0.00 H new ATOM 0 HD11 LEU A 131 7.791 3.535 3.439 1.00 0.00 H new ATOM 0 HD12 LEU A 131 7.138 5.073 2.828 1.00 0.00 H new ATOM 0 HD13 LEU A 131 6.429 4.319 4.275 1.00 0.00 H new ATOM 0 HD21 LEU A 131 6.563 1.493 3.160 1.00 0.00 H new ATOM 0 HD22 LEU A 131 5.103 2.140 3.947 1.00 0.00 H new ATOM 0 HD23 LEU A 131 5.009 1.486 2.294 1.00 0.00 H new ATOM 1713 N HIS A 132 6.811 5.984 0.387 1.00 0.00 N ATOM 1714 CA HIS A 132 7.822 5.990 -0.657 1.00 0.00 C ATOM 1715 C HIS A 132 8.603 4.707 -0.637 1.00 0.00 C ATOM 1716 O HIS A 132 9.290 4.431 0.302 1.00 0.00 O ATOM 1717 CB HIS A 132 8.788 7.149 -0.435 1.00 0.00 C ATOM 1718 CG HIS A 132 9.619 7.556 -1.616 1.00 0.00 C ATOM 1719 ND1 HIS A 132 10.572 8.525 -1.545 1.00 0.00 N ATOM 1720 CD2 HIS A 132 9.611 7.149 -2.893 1.00 0.00 C ATOM 1721 CE1 HIS A 132 11.109 8.703 -2.715 1.00 0.00 C ATOM 1722 NE2 HIS A 132 10.546 7.884 -3.561 1.00 0.00 N ATOM 0 H HIS A 132 7.054 6.555 1.196 1.00 0.00 H new ATOM 0 HA HIS A 132 7.320 6.098 -1.619 1.00 0.00 H new ATOM 0 HB2 HIS A 132 8.214 8.015 -0.106 1.00 0.00 H new ATOM 0 HB3 HIS A 132 9.460 6.883 0.381 1.00 0.00 H new ATOM 0 HD1 HIS A 132 10.827 9.035 -0.699 1.00 0.00 H new ATOM 0 HD2 HIS A 132 8.980 6.381 -3.315 1.00 0.00 H new ATOM 0 HE1 HIS A 132 11.891 9.411 -2.948 1.00 0.00 H new ATOM 1731 N ILE A 133 8.546 4.006 -1.717 1.00 0.00 N ATOM 1732 CA ILE A 133 9.235 2.757 -1.926 1.00 0.00 C ATOM 1733 C ILE A 133 10.746 2.915 -1.883 1.00 0.00 C ATOM 1734 O ILE A 133 11.473 1.975 -1.536 1.00 0.00 O ATOM 1735 CB ILE A 133 8.779 2.142 -3.280 1.00 0.00 C ATOM 1736 CG1 ILE A 133 7.541 1.256 -3.120 1.00 0.00 C ATOM 1737 CG2 ILE A 133 9.886 1.480 -4.093 1.00 0.00 C ATOM 1738 CD1 ILE A 133 7.642 0.238 -2.048 1.00 0.00 C ATOM 0 H ILE A 133 7.993 4.294 -2.524 1.00 0.00 H new ATOM 0 HA ILE A 133 8.974 2.084 -1.110 1.00 0.00 H new ATOM 0 HB ILE A 133 8.488 2.996 -3.891 1.00 0.00 H new ATOM 0 HG12 ILE A 133 6.679 1.892 -2.918 1.00 0.00 H new ATOM 0 HG13 ILE A 133 7.349 0.750 -4.066 1.00 0.00 H new ATOM 0 HG21 ILE A 133 9.470 1.082 -5.018 1.00 0.00 H new ATOM 0 HG22 ILE A 133 10.655 2.216 -4.328 1.00 0.00 H new ATOM 0 HG23 ILE A 133 10.326 0.668 -3.514 1.00 0.00 H new ATOM 0 HD11 ILE A 133 6.720 -0.342 -2.009 1.00 0.00 H new ATOM 0 HD12 ILE A 133 8.480 -0.427 -2.256 1.00 0.00 H new ATOM 0 HD13 ILE A 133 7.800 0.733 -1.090 1.00 0.00 H new ATOM 1750 N LYS A 134 11.204 4.085 -2.225 1.00 0.00 N ATOM 1751 CA LYS A 134 12.636 4.327 -2.278 1.00 0.00 C ATOM 1752 C LYS A 134 13.209 4.627 -0.911 1.00 0.00 C ATOM 1753 O LYS A 134 14.230 4.081 -0.530 1.00 0.00 O ATOM 1754 CB LYS A 134 12.984 5.459 -3.233 1.00 0.00 C ATOM 1755 CG LYS A 134 12.665 5.184 -4.700 1.00 0.00 C ATOM 1756 CD LYS A 134 12.918 6.396 -5.578 1.00 0.00 C ATOM 1757 CE LYS A 134 14.360 6.801 -5.553 1.00 0.00 C ATOM 1758 NZ LYS A 134 14.578 8.111 -6.200 1.00 0.00 N ATOM 0 H LYS A 134 10.622 4.886 -2.471 1.00 0.00 H new ATOM 0 HA LYS A 134 13.085 3.406 -2.649 1.00 0.00 H new ATOM 0 HB2 LYS A 134 12.447 6.355 -2.922 1.00 0.00 H new ATOM 0 HB3 LYS A 134 14.048 5.677 -3.142 1.00 0.00 H new ATOM 0 HG2 LYS A 134 13.272 4.349 -5.052 1.00 0.00 H new ATOM 0 HG3 LYS A 134 11.622 4.881 -4.793 1.00 0.00 H new ATOM 0 HD2 LYS A 134 12.619 6.173 -6.602 1.00 0.00 H new ATOM 0 HD3 LYS A 134 12.300 7.227 -5.239 1.00 0.00 H new ATOM 0 HE2 LYS A 134 14.707 6.844 -4.520 1.00 0.00 H new ATOM 0 HE3 LYS A 134 14.958 6.043 -6.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 15.589 8.354 -6.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 14.271 8.063 -7.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 14.028 8.840 -5.702 1.00 0.00 H new ATOM 1772 N THR A 135 12.553 5.483 -0.173 1.00 0.00 N ATOM 1773 CA THR A 135 13.119 5.913 1.089 1.00 0.00 C ATOM 1774 C THR A 135 12.327 5.429 2.301 1.00 0.00 C ATOM 1775 O THR A 135 12.896 5.142 3.345 1.00 0.00 O ATOM 1776 CB THR A 135 13.250 7.435 1.111 1.00 0.00 C ATOM 1777 OG1 THR A 135 11.970 8.028 0.832 1.00 0.00 O ATOM 1778 CG2 THR A 135 14.253 7.905 0.066 1.00 0.00 C ATOM 0 H THR A 135 11.649 5.891 -0.410 1.00 0.00 H new ATOM 0 HA THR A 135 14.105 5.455 1.164 1.00 0.00 H new ATOM 0 HB THR A 135 13.600 7.739 2.098 1.00 0.00 H new ATOM 0 HG1 THR A 135 11.864 8.844 1.365 1.00 0.00 H new ATOM 0 HG21 THR A 135 14.331 8.992 0.099 1.00 0.00 H new ATOM 0 HG22 THR A 135 15.228 7.465 0.274 1.00 0.00 H new ATOM 0 HG23 THR A 135 13.919 7.595 -0.924 1.00 0.00 H new ATOM 1786 N GLY A 136 11.036 5.297 2.145 1.00 0.00 N ATOM 1787 CA GLY A 136 10.198 4.892 3.251 1.00 0.00 C ATOM 1788 C GLY A 136 9.698 6.059 4.003 1.00 0.00 C ATOM 1789 O GLY A 136 9.655 6.045 5.221 1.00 0.00 O ATOM 0 H GLY A 136 10.540 5.462 1.269 1.00 0.00 H new ATOM 0 HA2 GLY A 136 9.356 4.310 2.877 1.00 0.00 H new ATOM 0 HA3 GLY A 136 10.763 4.242 3.919 1.00 0.00 H new ATOM 1793 N GLU A 137 9.285 7.038 3.269 1.00 0.00 N ATOM 1794 CA GLU A 137 8.793 8.276 3.806 1.00 0.00 C ATOM 1795 C GLU A 137 7.372 8.427 3.401 1.00 0.00 C ATOM 1796 O GLU A 137 6.990 7.978 2.311 1.00 0.00 O ATOM 1797 CB GLU A 137 9.601 9.425 3.271 1.00 0.00 C ATOM 1798 CG GLU A 137 11.009 9.484 3.812 1.00 0.00 C ATOM 1799 CD GLU A 137 11.838 10.551 3.152 1.00 0.00 C ATOM 1800 OE1 GLU A 137 12.439 10.276 2.102 1.00 0.00 O ATOM 1801 OE2 GLU A 137 11.906 11.680 3.646 1.00 0.00 O ATOM 0 H GLU A 137 9.278 7.004 2.250 1.00 0.00 H new ATOM 0 HA GLU A 137 8.876 8.271 4.893 1.00 0.00 H new ATOM 0 HB2 GLU A 137 9.642 9.353 2.184 1.00 0.00 H new ATOM 0 HB3 GLU A 137 9.091 10.358 3.510 1.00 0.00 H new ATOM 0 HG2 GLU A 137 10.974 9.668 4.886 1.00 0.00 H new ATOM 0 HG3 GLU A 137 11.490 8.516 3.670 1.00 0.00 H new ATOM 1808 N TRP A 138 6.586 8.983 4.265 1.00 0.00 N ATOM 1809 CA TRP A 138 5.187 9.121 4.012 1.00 0.00 C ATOM 1810 C TRP A 138 4.823 10.529 3.645 1.00 0.00 C ATOM 1811 O TRP A 138 5.463 11.492 4.068 1.00 0.00 O ATOM 1812 CB TRP A 138 4.376 8.705 5.227 1.00 0.00 C ATOM 1813 CG TRP A 138 4.705 7.362 5.753 1.00 0.00 C ATOM 1814 CD1 TRP A 138 5.420 6.384 5.148 1.00 0.00 C ATOM 1815 CD2 TRP A 138 4.297 6.832 6.993 1.00 0.00 C ATOM 1816 NE1 TRP A 138 5.533 5.331 5.975 1.00 0.00 N ATOM 1817 CE2 TRP A 138 4.840 5.563 7.091 1.00 0.00 C ATOM 1818 CE3 TRP A 138 3.538 7.313 8.029 1.00 0.00 C ATOM 1819 CZ2 TRP A 138 4.659 4.761 8.171 1.00 0.00 C ATOM 1820 CZ3 TRP A 138 3.343 6.495 9.127 1.00 0.00 C ATOM 1821 CH2 TRP A 138 3.907 5.227 9.182 1.00 0.00 C ATOM 0 H TRP A 138 6.894 9.354 5.164 1.00 0.00 H new ATOM 0 HA TRP A 138 4.954 8.468 3.171 1.00 0.00 H new ATOM 0 HB2 TRP A 138 4.528 9.439 6.018 1.00 0.00 H new ATOM 0 HB3 TRP A 138 3.318 8.731 4.968 1.00 0.00 H new ATOM 0 HD1 TRP A 138 5.836 6.442 4.153 1.00 0.00 H new ATOM 0 HE1 TRP A 138 6.067 4.484 5.779 1.00 0.00 H new ATOM 0 HE3 TRP A 138 3.105 8.302 7.989 1.00 0.00 H new ATOM 0 HZ2 TRP A 138 5.106 3.779 8.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 138 2.744 6.847 9.953 1.00 0.00 H new ATOM 0 HH2 TRP A 138 3.739 4.607 10.050 1.00 0.00 H new ATOM 1832 N LYS A 139 3.775 10.618 2.912 1.00 0.00 N ATOM 1833 CA LYS A 139 3.181 11.841 2.466 1.00 0.00 C ATOM 1834 C LYS A 139 1.885 11.986 3.107 1.00 0.00 C ATOM 1835 O LYS A 139 1.245 11.021 3.422 1.00 0.00 O ATOM 1836 CB LYS A 139 3.018 11.818 0.963 1.00 0.00 C ATOM 1837 CG LYS A 139 4.305 12.073 0.271 1.00 0.00 C ATOM 1838 CD LYS A 139 4.205 11.929 -1.237 1.00 0.00 C ATOM 1839 CE LYS A 139 3.868 10.515 -1.657 1.00 0.00 C ATOM 1840 NZ LYS A 139 3.659 10.418 -3.117 1.00 0.00 N ATOM 0 H LYS A 139 3.272 9.794 2.583 1.00 0.00 H new ATOM 0 HA LYS A 139 3.820 12.683 2.730 1.00 0.00 H new ATOM 0 HB2 LYS A 139 2.623 10.850 0.654 1.00 0.00 H new ATOM 0 HB3 LYS A 139 2.288 12.570 0.664 1.00 0.00 H new ATOM 0 HG2 LYS A 139 4.648 13.079 0.513 1.00 0.00 H new ATOM 0 HG3 LYS A 139 5.058 11.380 0.648 1.00 0.00 H new ATOM 0 HD2 LYS A 139 3.442 12.610 -1.615 1.00 0.00 H new ATOM 0 HD3 LYS A 139 5.150 12.225 -1.692 1.00 0.00 H new ATOM 0 HE2 LYS A 139 4.674 9.844 -1.359 1.00 0.00 H new ATOM 0 HE3 LYS A 139 2.969 10.185 -1.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 3.531 9.421 -3.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 2.812 10.960 -3.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 4.487 10.805 -3.613 1.00 0.00 H new ATOM 1854 N LYS A 140 1.549 13.169 3.360 1.00 0.00 N ATOM 1855 CA LYS A 140 0.310 13.492 4.002 1.00 0.00 C ATOM 1856 C LYS A 140 -0.787 13.616 2.998 1.00 0.00 C ATOM 1857 O LYS A 140 -0.555 14.106 1.904 1.00 0.00 O ATOM 1858 CB LYS A 140 0.411 14.797 4.750 1.00 0.00 C ATOM 1859 CG LYS A 140 1.284 14.782 5.973 1.00 0.00 C ATOM 1860 CD LYS A 140 1.134 16.094 6.671 1.00 0.00 C ATOM 1861 CE LYS A 140 2.048 16.234 7.867 1.00 0.00 C ATOM 1862 NZ LYS A 140 1.924 17.579 8.480 1.00 0.00 N ATOM 0 H LYS A 140 2.124 13.980 3.132 1.00 0.00 H new ATOM 0 HA LYS A 140 0.090 12.684 4.700 1.00 0.00 H new ATOM 0 HB2 LYS A 140 0.788 15.558 4.067 1.00 0.00 H new ATOM 0 HB3 LYS A 140 -0.592 15.103 5.046 1.00 0.00 H new ATOM 0 HG2 LYS A 140 0.997 13.965 6.635 1.00 0.00 H new ATOM 0 HG3 LYS A 140 2.325 14.616 5.695 1.00 0.00 H new ATOM 0 HD2 LYS A 140 1.340 16.900 5.967 1.00 0.00 H new ATOM 0 HD3 LYS A 140 0.100 16.211 6.995 1.00 0.00 H new ATOM 0 HE2 LYS A 140 1.805 15.470 8.606 1.00 0.00 H new ATOM 0 HE3 LYS A 140 3.080 16.064 7.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 2.562 17.648 9.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 2.179 18.304 7.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 0.943 17.729 8.792 1.00 0.00 H new ATOM 1876 N GLY A 141 -1.959 13.152 3.363 1.00 0.00 N ATOM 1877 CA GLY A 141 -3.116 13.314 2.557 1.00 0.00 C ATOM 1878 C GLY A 141 -4.089 12.164 2.686 1.00 0.00 C ATOM 1879 O GLY A 141 -3.943 11.297 3.538 1.00 0.00 O ATOM 0 H GLY A 141 -2.123 12.650 4.236 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -3.618 14.241 2.834 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -2.815 13.413 1.514 1.00 0.00 H new ATOM 1883 N ASN A 142 -5.055 12.176 1.819 1.00 0.00 N ATOM 1884 CA ASN A 142 -6.069 11.152 1.682 1.00 0.00 C ATOM 1885 C ASN A 142 -6.347 10.976 0.213 1.00 0.00 C ATOM 1886 O ASN A 142 -6.412 11.954 -0.517 1.00 0.00 O ATOM 1887 CB ASN A 142 -7.375 11.469 2.468 1.00 0.00 C ATOM 1888 CG ASN A 142 -7.973 12.883 2.291 1.00 0.00 C ATOM 1889 OD1 ASN A 142 -7.774 13.510 1.168 1.00 0.00 O flip ATOM 1890 ND2 ASN A 142 -8.616 13.399 3.191 1.00 0.00 N flip ATOM 0 H ASN A 142 -5.171 12.936 1.149 1.00 0.00 H new ATOM 0 HA ASN A 142 -5.693 10.228 2.120 1.00 0.00 H new ATOM 0 HB2 ASN A 142 -8.132 10.742 2.175 1.00 0.00 H new ATOM 0 HB3 ASN A 142 -7.178 11.314 3.529 1.00 0.00 H new ATOM 0 HD21 ASN A 142 -8.764 12.896 4.066 1.00 0.00 H new ATOM 0 HD22 ASN A 142 -9.006 14.334 3.068 1.00 0.00 H new ATOM 1897 N CYS A 143 -6.481 9.773 -0.248 1.00 0.00 N ATOM 1898 CA CYS A 143 -6.638 9.574 -1.665 1.00 0.00 C ATOM 1899 C CYS A 143 -8.016 9.720 -2.159 1.00 0.00 C ATOM 1900 O CYS A 143 -8.670 8.771 -2.524 1.00 0.00 O ATOM 1901 CB CYS A 143 -5.973 8.341 -2.191 1.00 0.00 C ATOM 1902 SG CYS A 143 -4.612 8.740 -3.327 1.00 0.00 S ATOM 0 H CYS A 143 -6.486 8.924 0.318 1.00 0.00 H new ATOM 0 HA CYS A 143 -6.089 10.414 -2.091 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -5.590 7.751 -1.358 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -6.708 7.724 -2.707 1.00 0.00 H new ATOM 1907 N GLU A 144 -8.444 10.927 -2.143 1.00 0.00 N ATOM 1908 CA GLU A 144 -9.724 11.322 -2.669 1.00 0.00 C ATOM 1909 C GLU A 144 -9.573 11.700 -4.153 1.00 0.00 C ATOM 1910 O GLU A 144 -10.347 12.486 -4.711 1.00 0.00 O ATOM 1911 CB GLU A 144 -10.269 12.480 -1.844 1.00 0.00 C ATOM 1912 CG GLU A 144 -10.431 12.167 -0.353 1.00 0.00 C ATOM 1913 CD GLU A 144 -11.396 11.053 -0.084 1.00 0.00 C ATOM 1914 OE1 GLU A 144 -12.605 11.223 -0.344 1.00 0.00 O ATOM 1915 OE2 GLU A 144 -10.970 9.987 0.412 1.00 0.00 O ATOM 0 H GLU A 144 -7.907 11.702 -1.754 1.00 0.00 H new ATOM 0 HA GLU A 144 -10.434 10.497 -2.605 1.00 0.00 H new ATOM 0 HB2 GLU A 144 -9.602 13.335 -1.954 1.00 0.00 H new ATOM 0 HB3 GLU A 144 -11.237 12.776 -2.249 1.00 0.00 H new ATOM 0 HG2 GLU A 144 -9.459 11.905 0.064 1.00 0.00 H new ATOM 0 HG3 GLU A 144 -10.769 13.064 0.165 1.00 0.00 H new ATOM 1922 N VAL A 145 -8.594 11.096 -4.770 1.00 0.00 N ATOM 1923 CA VAL A 145 -8.273 11.293 -6.169 1.00 0.00 C ATOM 1924 C VAL A 145 -8.414 9.976 -6.884 1.00 0.00 C ATOM 1925 O VAL A 145 -8.257 8.918 -6.281 1.00 0.00 O ATOM 1926 CB VAL A 145 -6.831 11.850 -6.393 1.00 0.00 C ATOM 1927 CG1 VAL A 145 -6.644 13.140 -5.643 1.00 0.00 C ATOM 1928 CG2 VAL A 145 -5.741 10.834 -6.027 1.00 0.00 C ATOM 0 H VAL A 145 -7.975 10.432 -4.304 1.00 0.00 H new ATOM 0 HA VAL A 145 -8.965 12.037 -6.564 1.00 0.00 H new ATOM 0 HB VAL A 145 -6.724 12.045 -7.460 1.00 0.00 H new ATOM 0 HG11 VAL A 145 -5.634 13.515 -5.810 1.00 0.00 H new ATOM 0 HG12 VAL A 145 -7.367 13.875 -5.997 1.00 0.00 H new ATOM 0 HG13 VAL A 145 -6.795 12.967 -4.578 1.00 0.00 H new ATOM 0 HG21 VAL A 145 -4.759 11.274 -6.202 1.00 0.00 H new ATOM 0 HG22 VAL A 145 -5.835 10.563 -4.975 1.00 0.00 H new ATOM 0 HG23 VAL A 145 -5.854 9.942 -6.643 1.00 0.00 H new ATOM 1938 N SER A 146 -8.661 10.027 -8.154 1.00 0.00 N ATOM 1939 CA SER A 146 -8.908 8.826 -8.914 1.00 0.00 C ATOM 1940 C SER A 146 -7.645 8.136 -9.412 1.00 0.00 C ATOM 1941 O SER A 146 -7.707 7.036 -9.941 1.00 0.00 O ATOM 1942 CB SER A 146 -9.870 9.106 -10.034 1.00 0.00 C ATOM 1943 OG SER A 146 -11.086 9.627 -9.503 1.00 0.00 O ATOM 0 H SER A 146 -8.699 10.890 -8.697 1.00 0.00 H new ATOM 0 HA SER A 146 -9.362 8.113 -8.226 1.00 0.00 H new ATOM 0 HB2 SER A 146 -9.432 9.819 -10.733 1.00 0.00 H new ATOM 0 HB3 SER A 146 -10.068 8.192 -10.593 1.00 0.00 H new ATOM 0 HG SER A 146 -11.307 9.158 -8.672 1.00 0.00 H new ATOM 1949 N SER A 147 -6.509 8.753 -9.193 1.00 0.00 N ATOM 1950 CA SER A 147 -5.241 8.273 -9.716 1.00 0.00 C ATOM 1951 C SER A 147 -4.618 7.090 -8.943 1.00 0.00 C ATOM 1952 O SER A 147 -3.418 6.847 -9.046 1.00 0.00 O ATOM 1953 CB SER A 147 -4.284 9.434 -9.815 1.00 0.00 C ATOM 1954 OG SER A 147 -4.878 10.477 -10.577 1.00 0.00 O ATOM 0 H SER A 147 -6.432 9.609 -8.644 1.00 0.00 H new ATOM 0 HA SER A 147 -5.446 7.858 -10.703 1.00 0.00 H new ATOM 0 HB2 SER A 147 -4.031 9.796 -8.818 1.00 0.00 H new ATOM 0 HB3 SER A 147 -3.353 9.113 -10.283 1.00 0.00 H new ATOM 0 HG SER A 147 -4.256 11.232 -10.639 1.00 0.00 H new ATOM 1960 N VAL A 148 -5.410 6.335 -8.219 1.00 0.00 N ATOM 1961 CA VAL A 148 -4.839 5.206 -7.502 1.00 0.00 C ATOM 1962 C VAL A 148 -5.087 3.939 -8.268 1.00 0.00 C ATOM 1963 O VAL A 148 -6.228 3.604 -8.596 1.00 0.00 O ATOM 1964 CB VAL A 148 -5.333 5.018 -6.067 1.00 0.00 C ATOM 1965 CG1 VAL A 148 -4.387 4.089 -5.344 1.00 0.00 C ATOM 1966 CG2 VAL A 148 -5.475 6.340 -5.367 1.00 0.00 C ATOM 0 H VAL A 148 -6.415 6.468 -8.108 1.00 0.00 H new ATOM 0 HA VAL A 148 -3.776 5.436 -7.424 1.00 0.00 H new ATOM 0 HB VAL A 148 -6.326 4.568 -6.074 1.00 0.00 H new ATOM 0 HG11 VAL A 148 -4.729 3.947 -4.319 1.00 0.00 H new ATOM 0 HG12 VAL A 148 -4.361 3.126 -5.855 1.00 0.00 H new ATOM 0 HG13 VAL A 148 -3.387 4.522 -5.336 1.00 0.00 H new ATOM 0 HG21 VAL A 148 -5.828 6.176 -4.349 1.00 0.00 H new ATOM 0 HG22 VAL A 148 -4.508 6.843 -5.340 1.00 0.00 H new ATOM 0 HG23 VAL A 148 -6.192 6.961 -5.904 1.00 0.00 H new ATOM 1976 N GLU A 149 -4.034 3.265 -8.551 1.00 0.00 N ATOM 1977 CA GLU A 149 -4.062 2.071 -9.357 1.00 0.00 C ATOM 1978 C GLU A 149 -3.526 0.890 -8.608 1.00 0.00 C ATOM 1979 O GLU A 149 -3.277 -0.138 -9.193 1.00 0.00 O ATOM 1980 CB GLU A 149 -3.283 2.248 -10.640 1.00 0.00 C ATOM 1981 CG GLU A 149 -3.826 3.291 -11.598 1.00 0.00 C ATOM 1982 CD GLU A 149 -2.824 3.634 -12.676 1.00 0.00 C ATOM 1983 OE1 GLU A 149 -2.482 2.753 -13.494 1.00 0.00 O ATOM 1984 OE2 GLU A 149 -2.314 4.774 -12.707 1.00 0.00 O ATOM 0 H GLU A 149 -3.101 3.522 -8.228 1.00 0.00 H new ATOM 0 HA GLU A 149 -5.108 1.887 -9.604 1.00 0.00 H new ATOM 0 HB2 GLU A 149 -2.256 2.513 -10.387 1.00 0.00 H new ATOM 0 HB3 GLU A 149 -3.247 1.289 -11.157 1.00 0.00 H new ATOM 0 HG2 GLU A 149 -4.743 2.921 -12.057 1.00 0.00 H new ATOM 0 HG3 GLU A 149 -4.088 4.193 -11.044 1.00 0.00 H new ATOM 1991 N GLY A 150 -3.309 1.043 -7.343 1.00 0.00 N ATOM 1992 CA GLY A 150 -2.805 -0.046 -6.577 1.00 0.00 C ATOM 1993 C GLY A 150 -2.665 0.284 -5.133 1.00 0.00 C ATOM 1994 O GLY A 150 -2.189 1.358 -4.773 1.00 0.00 O ATOM 0 H GLY A 150 -3.472 1.905 -6.822 1.00 0.00 H new ATOM 0 HA2 GLY A 150 -3.471 -0.901 -6.687 1.00 0.00 H new ATOM 0 HA3 GLY A 150 -1.834 -0.345 -6.973 1.00 0.00 H new ATOM 1998 N THR A 151 -3.082 -0.615 -4.313 1.00 0.00 N ATOM 1999 CA THR A 151 -2.973 -0.454 -2.907 1.00 0.00 C ATOM 2000 C THR A 151 -2.423 -1.709 -2.302 1.00 0.00 C ATOM 2001 O THR A 151 -2.559 -2.809 -2.880 1.00 0.00 O ATOM 2002 CB THR A 151 -4.334 -0.098 -2.246 1.00 0.00 C ATOM 2003 OG1 THR A 151 -4.215 -0.123 -0.826 1.00 0.00 O ATOM 2004 CG2 THR A 151 -5.441 -1.040 -2.681 1.00 0.00 C ATOM 0 H THR A 151 -3.513 -1.493 -4.603 1.00 0.00 H new ATOM 0 HA THR A 151 -2.297 0.380 -2.721 1.00 0.00 H new ATOM 0 HB THR A 151 -4.600 0.906 -2.575 1.00 0.00 H new ATOM 0 HG1 THR A 151 -4.390 -1.030 -0.499 1.00 0.00 H new ATOM 0 HG21 THR A 151 -6.374 -0.754 -2.195 1.00 0.00 H new ATOM 0 HG22 THR A 151 -5.563 -0.983 -3.763 1.00 0.00 H new ATOM 0 HG23 THR A 151 -5.182 -2.060 -2.398 1.00 0.00 H new ATOM 2012 N LEU A 152 -1.745 -1.556 -1.196 1.00 0.00 N ATOM 2013 CA LEU A 152 -1.283 -2.672 -0.485 1.00 0.00 C ATOM 2014 C LEU A 152 -2.300 -2.988 0.550 1.00 0.00 C ATOM 2015 O LEU A 152 -2.835 -2.091 1.211 1.00 0.00 O ATOM 2016 CB LEU A 152 0.046 -2.452 0.190 1.00 0.00 C ATOM 2017 CG LEU A 152 0.549 -3.734 0.842 1.00 0.00 C ATOM 2018 CD1 LEU A 152 1.173 -4.704 -0.097 1.00 0.00 C ATOM 2019 CD2 LEU A 152 1.386 -3.497 1.992 1.00 0.00 C ATOM 0 H LEU A 152 -1.509 -0.654 -0.782 1.00 0.00 H new ATOM 0 HA LEU A 152 -1.135 -3.485 -1.196 1.00 0.00 H new ATOM 0 HB2 LEU A 152 0.775 -2.102 -0.541 1.00 0.00 H new ATOM 0 HB3 LEU A 152 -0.050 -1.671 0.944 1.00 0.00 H new ATOM 0 HG LEU A 152 -0.362 -4.215 1.198 1.00 0.00 H new ATOM 0 HD11 LEU A 152 1.501 -5.585 0.455 1.00 0.00 H new ATOM 0 HD12 LEU A 152 0.445 -4.999 -0.852 1.00 0.00 H new ATOM 0 HD13 LEU A 152 2.031 -4.240 -0.583 1.00 0.00 H new ATOM 0 HD21 LEU A 152 1.710 -4.451 2.409 1.00 0.00 H new ATOM 0 HD22 LEU A 152 2.259 -2.916 1.693 1.00 0.00 H new ATOM 0 HD23 LEU A 152 0.823 -2.945 2.744 1.00 0.00 H new ATOM 2031 N CYS A 153 -2.588 -4.204 0.681 1.00 0.00 N ATOM 2032 CA CYS A 153 -3.549 -4.625 1.600 1.00 0.00 C ATOM 2033 C CYS A 153 -2.899 -5.364 2.709 1.00 0.00 C ATOM 2034 O CYS A 153 -1.926 -6.091 2.502 1.00 0.00 O ATOM 2035 CB CYS A 153 -4.518 -5.506 0.902 1.00 0.00 C ATOM 2036 SG CYS A 153 -5.107 -4.773 -0.641 1.00 0.00 S ATOM 0 H CYS A 153 -2.156 -4.956 0.144 1.00 0.00 H new ATOM 0 HA CYS A 153 -4.067 -3.761 2.017 1.00 0.00 H new ATOM 0 HB2 CYS A 153 -4.048 -6.467 0.691 1.00 0.00 H new ATOM 0 HB3 CYS A 153 -5.367 -5.703 1.557 1.00 0.00 H new ATOM 2041 N LYS A 154 -3.422 -5.170 3.856 1.00 0.00 N ATOM 2042 CA LYS A 154 -2.987 -5.810 5.031 1.00 0.00 C ATOM 2043 C LYS A 154 -4.209 -6.366 5.738 1.00 0.00 C ATOM 2044 O LYS A 154 -5.235 -5.699 5.845 1.00 0.00 O ATOM 2045 CB LYS A 154 -2.242 -4.822 5.927 1.00 0.00 C ATOM 2046 CG LYS A 154 -1.882 -5.377 7.285 1.00 0.00 C ATOM 2047 CD LYS A 154 -1.157 -4.359 8.128 1.00 0.00 C ATOM 2048 CE LYS A 154 -1.029 -4.842 9.554 1.00 0.00 C ATOM 2049 NZ LYS A 154 -2.338 -4.903 10.232 1.00 0.00 N ATOM 0 H LYS A 154 -4.202 -4.530 4.008 1.00 0.00 H new ATOM 0 HA LYS A 154 -2.297 -6.619 4.792 1.00 0.00 H new ATOM 0 HB2 LYS A 154 -1.330 -4.505 5.422 1.00 0.00 H new ATOM 0 HB3 LYS A 154 -2.858 -3.933 6.061 1.00 0.00 H new ATOM 0 HG2 LYS A 154 -2.788 -5.697 7.799 1.00 0.00 H new ATOM 0 HG3 LYS A 154 -1.256 -6.261 7.163 1.00 0.00 H new ATOM 0 HD2 LYS A 154 -0.167 -4.173 7.711 1.00 0.00 H new ATOM 0 HD3 LYS A 154 -1.695 -3.411 8.106 1.00 0.00 H new ATOM 0 HE2 LYS A 154 -0.569 -5.830 9.563 1.00 0.00 H new ATOM 0 HE3 LYS A 154 -0.365 -4.176 10.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 154 -2.194 -4.988 11.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 154 -2.875 -4.036 10.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 154 -2.869 -5.728 9.888 1.00 0.00 H new ATOM 2063 N THR A 155 -4.125 -7.563 6.158 1.00 0.00 N ATOM 2064 CA THR A 155 -5.197 -8.193 6.856 1.00 0.00 C ATOM 2065 C THR A 155 -4.605 -8.901 8.039 1.00 0.00 C ATOM 2066 O THR A 155 -3.497 -9.421 7.944 1.00 0.00 O ATOM 2067 CB THR A 155 -5.926 -9.227 5.931 1.00 0.00 C ATOM 2068 OG1 THR A 155 -7.075 -9.801 6.588 1.00 0.00 O ATOM 2069 CG2 THR A 155 -4.973 -10.346 5.512 1.00 0.00 C ATOM 0 H THR A 155 -3.303 -8.153 6.031 1.00 0.00 H new ATOM 0 HA THR A 155 -5.930 -7.450 7.170 1.00 0.00 H new ATOM 0 HB THR A 155 -6.261 -8.687 5.045 1.00 0.00 H new ATOM 0 HG1 THR A 155 -7.887 -9.564 6.093 1.00 0.00 H new ATOM 0 HG21 THR A 155 -5.500 -11.052 4.871 1.00 0.00 H new ATOM 0 HG22 THR A 155 -4.130 -9.921 4.967 1.00 0.00 H new ATOM 0 HG23 THR A 155 -4.608 -10.864 6.399 1.00 0.00 H new ATOM 2077 N ALA A 156 -5.266 -8.861 9.144 1.00 0.00 N ATOM 2078 CA ALA A 156 -4.845 -9.647 10.261 1.00 0.00 C ATOM 2079 C ALA A 156 -5.252 -11.040 9.971 1.00 0.00 C ATOM 2080 O ALA A 156 -6.357 -11.261 9.465 1.00 0.00 O ATOM 2081 CB ALA A 156 -5.525 -9.207 11.525 1.00 0.00 C ATOM 0 H ALA A 156 -6.099 -8.295 9.302 1.00 0.00 H new ATOM 0 HA ALA A 156 -3.769 -9.544 10.404 1.00 0.00 H new ATOM 0 HB1 ALA A 156 -5.183 -9.824 12.356 1.00 0.00 H new ATOM 0 HB2 ALA A 156 -5.282 -8.163 11.725 1.00 0.00 H new ATOM 0 HB3 ALA A 156 -6.604 -9.313 11.414 1.00 0.00 H new