USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 698 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 108 ASN : amide:sc= 0 X(o=0.53,f=0.2) USER MOD Set 1.2: A 115 SER OG : rot -0:sc= 0.529 USER MOD Set 2.1: A 61 ASN : amide:sc= 0 X(o=-2.8,f=-2.8) USER MOD Set 2.2: A 64 GLN : amide:sc= -2.83! C(o=-2.8!,f=-4.2!) USER MOD Set 3.1: A 33 GLN :FLIP amide:sc= -0.441 F(o=-3.5!,f=-0.74) USER MOD Set 3.2: A 85 GLN :FLIP amide:sc= -0.295 F(o=-3.5,f=-0.74) USER MOD Set 4.1: A 31 HIS : no HE2:sc= -0.655 X(o=-7,f=-7.4) USER MOD Set 4.2: A 35 HIS : no HD1:sc= -6.35! C(o=-7!,f=-6.7!) USER MOD Single : A 4 THR OG1 : rot 150:sc= 1.02 USER MOD Single : A 5 LYS NZ :NH3+ -158:sc= 1.26 (180deg=1.21) USER MOD Single : A 6 SER OG : rot 180:sc=-0.00016 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 27 GLN : amide:sc= -0.486 K(o=-0.49,f=-1.1) USER MOD Single : A 28 GLN : amide:sc= -0.483 K(o=-0.48,f=-3.6!) USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.0046) USER MOD Single : A 34 MET CE :methyl -164:sc= -0.151 (180deg=-0.572) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.29) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -1.09 K(o=-1.1,f=-5.7!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0.00492 X(o=0.0049,f=-0.27) USER MOD Single : A 71 GLN : amide:sc= -2.55! C(o=-2.6!,f=-4.1!) USER MOD Single : A 76 LYS NZ :NH3+ 154:sc= 1.15 (180deg=0.868) USER MOD Single : A 77 GLN : amide:sc= -0.0159 K(o=-0.016,f=-1) USER MOD Single : A 81 GLN : amide:sc= -3.59! C(o=-3.6!,f=-9.6!) USER MOD Single : A 83 GLN : amide:sc= -0.612 K(o=-0.61,f=-2.6!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 88 GLN : amide:sc= -0.0131 X(o=-0.013,f=-0.4) USER MOD Single : A 90 GLN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -172:sc=-0.00469 (180deg=-0.0742) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN :FLIP amide:sc= 0 F(o=-0.87,f=0) USER MOD Single : A 105 MET CE :methyl 155:sc= 0 (180deg=-0.658) USER MOD Single : A 109 GLN :FLIP amide:sc= 0 F(o=-1.1,f=0) USER MOD Single : A 111 ASN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 113 GLN : amide:sc= -1.48 X(o=-1.5,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 34 N CYS A 3 -2.899 -14.968 -16.277 1.00 0.00 N ATOM 35 CA CYS A 3 -1.994 -16.016 -16.643 1.00 0.00 C ATOM 36 C CYS A 3 -1.547 -15.826 -18.066 1.00 0.00 C ATOM 37 O CYS A 3 -2.304 -15.302 -18.898 1.00 0.00 O ATOM 38 CB CYS A 3 -2.657 -17.385 -16.511 1.00 0.00 C ATOM 39 SG CYS A 3 -3.342 -17.787 -14.862 1.00 0.00 S ATOM 0 HA CYS A 3 -1.138 -15.973 -15.970 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.462 -17.449 -17.243 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -1.925 -18.148 -16.775 1.00 0.00 H new ATOM 44 N THR A 4 -0.334 -16.230 -18.354 1.00 0.00 N ATOM 45 CA THR A 4 0.183 -16.165 -19.689 1.00 0.00 C ATOM 46 C THR A 4 -0.565 -17.164 -20.559 1.00 0.00 C ATOM 47 O THR A 4 -1.132 -18.161 -20.056 1.00 0.00 O ATOM 48 CB THR A 4 1.697 -16.472 -19.730 1.00 0.00 C ATOM 49 OG1 THR A 4 1.958 -17.780 -19.197 1.00 0.00 O ATOM 50 CG2 THR A 4 2.481 -15.442 -18.938 1.00 0.00 C ATOM 0 H THR A 4 0.317 -16.611 -17.668 1.00 0.00 H new ATOM 0 HA THR A 4 0.040 -15.152 -20.064 1.00 0.00 H new ATOM 0 HB THR A 4 2.016 -16.434 -20.772 1.00 0.00 H new ATOM 0 HG1 THR A 4 2.750 -18.158 -19.632 1.00 0.00 H new ATOM 0 HG21 THR A 4 3.544 -15.681 -18.983 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.313 -14.452 -19.362 1.00 0.00 H new ATOM 0 HG23 THR A 4 2.150 -15.453 -17.900 1.00 0.00 H new ATOM 58 N LYS A 5 -0.603 -16.916 -21.823 1.00 0.00 N ATOM 59 CA LYS A 5 -1.289 -17.780 -22.720 1.00 0.00 C ATOM 60 C LYS A 5 -0.314 -18.818 -23.262 1.00 0.00 C ATOM 61 O LYS A 5 0.150 -18.739 -24.404 1.00 0.00 O ATOM 62 CB LYS A 5 -1.953 -16.964 -23.833 1.00 0.00 C ATOM 63 CG LYS A 5 -2.785 -15.783 -23.306 1.00 0.00 C ATOM 64 CD LYS A 5 -3.862 -16.236 -22.327 1.00 0.00 C ATOM 65 CE LYS A 5 -4.654 -15.056 -21.751 1.00 0.00 C ATOM 66 NZ LYS A 5 -3.822 -14.186 -20.883 1.00 0.00 N ATOM 0 H LYS A 5 -0.160 -16.110 -22.263 1.00 0.00 H new ATOM 0 HA LYS A 5 -2.085 -18.311 -22.198 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -1.183 -16.586 -24.506 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -2.596 -17.619 -24.421 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -2.127 -15.066 -22.815 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -3.251 -15.265 -24.144 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -4.546 -16.919 -22.832 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.399 -16.793 -21.512 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -5.064 -14.463 -22.569 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.500 -15.435 -21.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -4.437 -13.649 -20.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -3.167 -14.773 -20.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -3.278 -13.525 -21.473 1.00 0.00 H new ATOM 80 N SER A 6 0.062 -19.726 -22.396 1.00 0.00 N ATOM 81 CA SER A 6 0.980 -20.777 -22.704 1.00 0.00 C ATOM 82 C SER A 6 0.563 -21.977 -21.881 1.00 0.00 C ATOM 83 O SER A 6 -0.331 -21.853 -21.033 1.00 0.00 O ATOM 84 CB SER A 6 2.404 -20.333 -22.338 1.00 0.00 C ATOM 85 OG SER A 6 3.383 -21.301 -22.700 1.00 0.00 O ATOM 0 H SER A 6 -0.275 -19.749 -21.434 1.00 0.00 H new ATOM 0 HA SER A 6 0.970 -21.024 -23.766 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.627 -19.390 -22.837 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.460 -20.147 -21.265 1.00 0.00 H new ATOM 0 HG SER A 6 4.273 -20.975 -22.450 1.00 0.00 H new ATOM 91 N ILE A 7 1.136 -23.123 -22.153 1.00 0.00 N ATOM 92 CA ILE A 7 0.836 -24.326 -21.412 1.00 0.00 C ATOM 93 C ILE A 7 2.156 -24.954 -20.949 1.00 0.00 C ATOM 94 O ILE A 7 2.963 -25.364 -21.784 1.00 0.00 O ATOM 95 CB ILE A 7 0.004 -25.379 -22.239 1.00 0.00 C ATOM 96 CG1 ILE A 7 -1.336 -24.800 -22.759 1.00 0.00 C ATOM 97 CG2 ILE A 7 -0.267 -26.632 -21.412 1.00 0.00 C ATOM 98 CD1 ILE A 7 -1.227 -23.955 -24.018 1.00 0.00 C ATOM 0 H ILE A 7 1.824 -23.250 -22.895 1.00 0.00 H new ATOM 0 HA ILE A 7 0.212 -24.044 -20.564 1.00 0.00 H new ATOM 0 HB ILE A 7 0.613 -25.640 -23.104 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.020 -25.626 -22.952 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.783 -24.194 -21.971 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.842 -27.342 -22.006 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.679 -27.087 -21.119 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.832 -26.364 -20.519 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.216 -23.596 -24.302 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.572 -23.104 -23.830 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.814 -24.558 -24.826 1.00 0.00 H new ATOM 110 N PRO A 8 2.420 -25.017 -19.635 1.00 0.00 N ATOM 111 CA PRO A 8 1.515 -24.532 -18.593 1.00 0.00 C ATOM 112 C PRO A 8 1.525 -23.009 -18.497 1.00 0.00 C ATOM 113 O PRO A 8 2.546 -22.365 -18.765 1.00 0.00 O ATOM 114 CB PRO A 8 2.087 -25.133 -17.296 1.00 0.00 C ATOM 115 CG PRO A 8 3.163 -26.067 -17.728 1.00 0.00 C ATOM 116 CD PRO A 8 3.639 -25.566 -19.054 1.00 0.00 C ATOM 0 HA PRO A 8 0.482 -24.818 -18.793 1.00 0.00 H new ATOM 0 HB2 PRO A 8 2.483 -24.354 -16.644 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.315 -25.658 -16.733 1.00 0.00 H new ATOM 0 HG2 PRO A 8 3.977 -26.086 -17.003 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.785 -27.086 -17.809 1.00 0.00 H new ATOM 0 HD2 PRO A 8 4.416 -24.809 -18.948 1.00 0.00 H new ATOM 0 HD3 PRO A 8 4.056 -26.366 -19.665 1.00 0.00 H new ATOM 124 N PRO A 9 0.396 -22.412 -18.153 1.00 0.00 N ATOM 125 CA PRO A 9 0.293 -20.975 -18.029 1.00 0.00 C ATOM 126 C PRO A 9 1.004 -20.460 -16.790 1.00 0.00 C ATOM 127 O PRO A 9 0.988 -21.101 -15.722 1.00 0.00 O ATOM 128 CB PRO A 9 -1.205 -20.733 -17.918 1.00 0.00 C ATOM 129 CG PRO A 9 -1.743 -21.981 -17.340 1.00 0.00 C ATOM 130 CD PRO A 9 -0.886 -23.088 -17.869 1.00 0.00 C ATOM 0 HA PRO A 9 0.758 -20.457 -18.868 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.422 -19.876 -17.281 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.646 -20.525 -18.893 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.712 -21.951 -16.251 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.785 -22.125 -17.625 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.766 -23.889 -17.140 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.313 -23.535 -18.766 1.00 0.00 H new ATOM 138 N ILE A 10 1.635 -19.341 -16.936 1.00 0.00 N ATOM 139 CA ILE A 10 2.310 -18.702 -15.857 1.00 0.00 C ATOM 140 C ILE A 10 1.318 -17.757 -15.248 1.00 0.00 C ATOM 141 O ILE A 10 0.878 -16.815 -15.901 1.00 0.00 O ATOM 142 CB ILE A 10 3.549 -17.927 -16.368 1.00 0.00 C ATOM 143 CG1 ILE A 10 4.457 -18.857 -17.198 1.00 0.00 C ATOM 144 CG2 ILE A 10 4.319 -17.287 -15.218 1.00 0.00 C ATOM 145 CD1 ILE A 10 4.935 -20.097 -16.461 1.00 0.00 C ATOM 0 H ILE A 10 1.696 -18.839 -17.822 1.00 0.00 H new ATOM 0 HA ILE A 10 2.668 -19.430 -15.129 1.00 0.00 H new ATOM 0 HB ILE A 10 3.202 -17.119 -17.013 1.00 0.00 H new ATOM 0 HG12 ILE A 10 3.916 -19.168 -18.092 1.00 0.00 H new ATOM 0 HG13 ILE A 10 5.327 -18.291 -17.532 1.00 0.00 H new ATOM 0 HG21 ILE A 10 5.182 -16.751 -15.612 1.00 0.00 H new ATOM 0 HG22 ILE A 10 3.670 -16.590 -14.689 1.00 0.00 H new ATOM 0 HG23 ILE A 10 4.656 -18.062 -14.530 1.00 0.00 H new ATOM 0 HD11 ILE A 10 5.567 -20.692 -17.121 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.507 -19.800 -15.582 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.075 -20.690 -16.151 1.00 0.00 H new ATOM 157 N CYS A 11 0.922 -18.030 -14.057 1.00 0.00 N ATOM 158 CA CYS A 11 -0.105 -17.270 -13.433 1.00 0.00 C ATOM 159 C CYS A 11 0.440 -16.337 -12.418 1.00 0.00 C ATOM 160 O CYS A 11 1.296 -16.695 -11.616 1.00 0.00 O ATOM 161 CB CYS A 11 -1.157 -18.179 -12.838 1.00 0.00 C ATOM 162 SG CYS A 11 -2.045 -19.148 -14.095 1.00 0.00 S ATOM 0 H CYS A 11 1.299 -18.786 -13.486 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.579 -16.661 -14.202 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -0.684 -18.859 -12.129 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -1.873 -17.579 -12.276 1.00 0.00 H new ATOM 310 N CYS A 22 3.006 -9.763 -1.471 1.00 0.00 N ATOM 311 CA CYS A 22 4.270 -9.179 -1.273 1.00 0.00 C ATOM 312 C CYS A 22 4.339 -8.501 0.073 1.00 0.00 C ATOM 313 O CYS A 22 3.637 -7.523 0.334 1.00 0.00 O ATOM 314 CB CYS A 22 4.605 -8.221 -2.389 1.00 0.00 C ATOM 315 SG CYS A 22 5.085 -9.017 -3.952 1.00 0.00 S ATOM 0 HA CYS A 22 5.018 -9.972 -1.287 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.742 -7.581 -2.572 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.418 -7.573 -2.062 1.00 0.00 H new ATOM 320 N GLN A 23 5.156 -9.035 0.938 1.00 0.00 N ATOM 321 CA GLN A 23 5.347 -8.461 2.239 1.00 0.00 C ATOM 322 C GLN A 23 6.582 -7.578 2.236 1.00 0.00 C ATOM 323 O GLN A 23 7.726 -8.051 2.208 1.00 0.00 O ATOM 324 CB GLN A 23 5.407 -9.540 3.335 1.00 0.00 C ATOM 325 CG GLN A 23 6.473 -10.593 3.115 1.00 0.00 C ATOM 326 CD GLN A 23 6.483 -11.670 4.178 1.00 0.00 C ATOM 327 OE1 GLN A 23 6.132 -11.430 5.334 1.00 0.00 O ATOM 328 NE2 GLN A 23 6.888 -12.848 3.807 1.00 0.00 N ATOM 0 H GLN A 23 5.705 -9.876 0.762 1.00 0.00 H new ATOM 0 HA GLN A 23 4.484 -7.838 2.475 1.00 0.00 H new ATOM 0 HB2 GLN A 23 5.584 -9.056 4.296 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.436 -10.031 3.399 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.320 -11.056 2.140 1.00 0.00 H new ATOM 0 HG3 GLN A 23 7.450 -10.110 3.088 1.00 0.00 H new ATOM 0 HE21 GLN A 23 7.171 -13.009 2.840 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.923 -13.611 4.483 1.00 0.00 H new ATOM 337 N ILE A 24 6.353 -6.316 2.177 1.00 0.00 N ATOM 338 CA ILE A 24 7.420 -5.349 2.200 1.00 0.00 C ATOM 339 C ILE A 24 7.327 -4.652 3.533 1.00 0.00 C ATOM 340 O ILE A 24 6.213 -4.371 4.001 1.00 0.00 O ATOM 341 CB ILE A 24 7.320 -4.272 1.056 1.00 0.00 C ATOM 342 CG1 ILE A 24 7.030 -4.884 -0.324 1.00 0.00 C ATOM 343 CG2 ILE A 24 8.605 -3.483 0.967 1.00 0.00 C ATOM 344 CD1 ILE A 24 5.569 -5.152 -0.592 1.00 0.00 C ATOM 0 H ILE A 24 5.420 -5.910 2.111 1.00 0.00 H new ATOM 0 HA ILE A 24 8.366 -5.868 2.045 1.00 0.00 H new ATOM 0 HB ILE A 24 6.483 -3.626 1.321 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.411 -4.212 -1.093 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.582 -5.820 -0.416 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.523 -2.742 0.172 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.789 -2.979 1.916 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.432 -4.158 0.749 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.455 -5.583 -1.587 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.185 -5.850 0.152 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.011 -4.217 -0.535 1.00 0.00 H new ATOM 356 N ARG A 25 8.440 -4.406 4.166 1.00 0.00 N ATOM 357 CA ARG A 25 8.406 -3.791 5.459 1.00 0.00 C ATOM 358 C ARG A 25 8.186 -2.297 5.358 1.00 0.00 C ATOM 359 O ARG A 25 8.974 -1.582 4.742 1.00 0.00 O ATOM 360 CB ARG A 25 9.623 -4.162 6.322 1.00 0.00 C ATOM 361 CG ARG A 25 10.999 -3.772 5.814 1.00 0.00 C ATOM 362 CD ARG A 25 12.045 -4.358 6.745 1.00 0.00 C ATOM 363 NE ARG A 25 13.418 -4.004 6.393 1.00 0.00 N ATOM 364 CZ ARG A 25 14.496 -4.319 7.128 1.00 0.00 C ATOM 365 NH1 ARG A 25 14.362 -4.998 8.261 1.00 0.00 N ATOM 366 NH2 ARG A 25 15.700 -3.961 6.724 1.00 0.00 N ATOM 0 H ARG A 25 9.372 -4.620 3.811 1.00 0.00 H new ATOM 0 HA ARG A 25 7.543 -4.199 5.985 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.488 -3.708 7.304 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.614 -5.242 6.467 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.146 -4.142 4.799 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.094 -2.687 5.774 1.00 0.00 H new ATOM 0 HD2 ARG A 25 11.843 -4.020 7.761 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.949 -5.444 6.745 1.00 0.00 H new ATOM 0 HE ARG A 25 13.568 -3.482 5.530 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.435 -5.284 8.578 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.186 -5.234 8.815 1.00 0.00 H new ATOM 0 HH21 ARG A 25 15.813 -3.444 5.852 1.00 0.00 H new ATOM 0 HH22 ARG A 25 16.518 -4.201 7.284 1.00 0.00 H new ATOM 380 N ILE A 26 7.125 -1.828 5.995 1.00 0.00 N ATOM 381 CA ILE A 26 6.717 -0.423 5.936 1.00 0.00 C ATOM 382 C ILE A 26 7.749 0.519 6.518 1.00 0.00 C ATOM 383 O ILE A 26 7.726 1.721 6.259 1.00 0.00 O ATOM 384 CB ILE A 26 5.295 -0.169 6.553 1.00 0.00 C ATOM 385 CG1 ILE A 26 5.118 -0.705 8.008 1.00 0.00 C ATOM 386 CG2 ILE A 26 4.234 -0.755 5.659 1.00 0.00 C ATOM 387 CD1 ILE A 26 5.865 0.047 9.097 1.00 0.00 C ATOM 0 H ILE A 26 6.516 -2.409 6.571 1.00 0.00 H new ATOM 0 HA ILE A 26 6.645 -0.195 4.873 1.00 0.00 H new ATOM 0 HB ILE A 26 5.189 0.914 6.618 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.055 -0.692 8.251 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.438 -1.747 8.030 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.251 -0.574 6.094 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.287 -0.287 4.676 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.395 -1.828 5.559 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.665 -0.417 10.063 1.00 0.00 H new ATOM 0 HD12 ILE A 26 6.935 0.014 8.893 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.531 1.085 9.117 1.00 0.00 H new ATOM 399 N GLN A 27 8.678 -0.034 7.265 1.00 0.00 N ATOM 400 CA GLN A 27 9.690 0.754 7.884 1.00 0.00 C ATOM 401 C GLN A 27 10.780 1.114 6.891 1.00 0.00 C ATOM 402 O GLN A 27 11.557 2.025 7.129 1.00 0.00 O ATOM 403 CB GLN A 27 10.273 0.066 9.115 1.00 0.00 C ATOM 404 CG GLN A 27 10.964 -1.264 8.853 1.00 0.00 C ATOM 405 CD GLN A 27 11.795 -1.728 10.037 1.00 0.00 C ATOM 406 OE1 GLN A 27 12.343 -0.919 10.786 1.00 0.00 O ATOM 407 NE2 GLN A 27 11.873 -3.013 10.239 1.00 0.00 N ATOM 0 H GLN A 27 8.743 -1.035 7.452 1.00 0.00 H new ATOM 0 HA GLN A 27 9.221 1.677 8.224 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.988 0.742 9.583 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.470 -0.096 9.834 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.214 -2.020 8.620 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.605 -1.171 7.977 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.408 -3.659 9.601 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.399 -3.373 11.035 1.00 0.00 H new ATOM 416 N GLN A 28 10.831 0.422 5.756 1.00 0.00 N ATOM 417 CA GLN A 28 11.839 0.750 4.773 1.00 0.00 C ATOM 418 C GLN A 28 11.318 1.893 3.907 1.00 0.00 C ATOM 419 O GLN A 28 12.077 2.720 3.412 1.00 0.00 O ATOM 420 CB GLN A 28 12.229 -0.457 3.905 1.00 0.00 C ATOM 421 CG GLN A 28 11.256 -0.770 2.786 1.00 0.00 C ATOM 422 CD GLN A 28 11.759 -1.779 1.787 1.00 0.00 C ATOM 423 OE1 GLN A 28 11.412 -1.714 0.630 1.00 0.00 O ATOM 424 NE2 GLN A 28 12.571 -2.704 2.217 1.00 0.00 N ATOM 0 H GLN A 28 10.205 -0.344 5.506 1.00 0.00 H new ATOM 0 HA GLN A 28 12.746 1.054 5.296 1.00 0.00 H new ATOM 0 HB2 GLN A 28 13.213 -0.274 3.473 1.00 0.00 H new ATOM 0 HB3 GLN A 28 12.320 -1.334 4.546 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.328 -1.140 3.221 1.00 0.00 H new ATOM 0 HG3 GLN A 28 11.016 0.154 2.261 1.00 0.00 H new ATOM 0 HE21 GLN A 28 12.842 -2.728 3.200 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.935 -3.404 1.570 1.00 0.00 H new ATOM 433 N LEU A 29 9.990 1.962 3.785 1.00 0.00 N ATOM 434 CA LEU A 29 9.348 3.010 3.003 1.00 0.00 C ATOM 435 C LEU A 29 9.117 4.210 3.839 1.00 0.00 C ATOM 436 O LEU A 29 8.573 5.205 3.361 1.00 0.00 O ATOM 437 CB LEU A 29 8.007 2.599 2.403 1.00 0.00 C ATOM 438 CG LEU A 29 7.990 1.533 1.333 1.00 0.00 C ATOM 439 CD1 LEU A 29 9.115 1.750 0.333 1.00 0.00 C ATOM 440 CD2 LEU A 29 7.985 0.148 1.933 1.00 0.00 C ATOM 0 H LEU A 29 9.343 1.303 4.219 1.00 0.00 H new ATOM 0 HA LEU A 29 10.036 3.217 2.183 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.370 2.259 3.219 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.543 3.493 1.987 1.00 0.00 H new ATOM 0 HG LEU A 29 7.058 1.619 0.774 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.082 0.970 -0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.997 2.724 -0.141 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.074 1.712 0.850 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.973 -0.594 1.135 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.879 0.012 2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.100 0.025 2.557 1.00 0.00 H new ATOM 452 N ASN A 30 9.553 4.128 5.086 1.00 0.00 N ATOM 453 CA ASN A 30 9.406 5.199 6.049 1.00 0.00 C ATOM 454 C ASN A 30 9.964 6.494 5.495 1.00 0.00 C ATOM 455 O ASN A 30 9.381 7.544 5.701 1.00 0.00 O ATOM 456 CB ASN A 30 10.084 4.846 7.384 1.00 0.00 C ATOM 457 CG ASN A 30 9.875 5.900 8.471 1.00 0.00 C ATOM 458 OD1 ASN A 30 10.662 6.839 8.609 1.00 0.00 O ATOM 459 ND2 ASN A 30 8.831 5.743 9.253 1.00 0.00 N ATOM 0 H ASN A 30 10.024 3.304 5.459 1.00 0.00 H new ATOM 0 HA ASN A 30 8.341 5.333 6.240 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.698 3.890 7.737 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.153 4.715 7.216 1.00 0.00 H new ATOM 0 HD21 ASN A 30 8.651 6.410 10.003 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.201 4.954 9.110 1.00 0.00 H new ATOM 466 N HIS A 31 11.042 6.392 4.701 1.00 0.00 N ATOM 467 CA HIS A 31 11.662 7.578 4.134 1.00 0.00 C ATOM 468 C HIS A 31 10.732 8.186 3.088 1.00 0.00 C ATOM 469 O HIS A 31 10.398 9.350 3.180 1.00 0.00 O ATOM 470 CB HIS A 31 13.026 7.277 3.504 1.00 0.00 C ATOM 471 CG HIS A 31 13.890 8.513 3.305 1.00 0.00 C ATOM 472 ND1 HIS A 31 15.182 8.614 3.747 1.00 0.00 N ATOM 473 CD2 HIS A 31 13.621 9.706 2.707 1.00 0.00 C ATOM 474 CE1 HIS A 31 15.645 9.812 3.425 1.00 0.00 C ATOM 475 NE2 HIS A 31 14.742 10.522 2.790 1.00 0.00 N ATOM 0 H HIS A 31 11.489 5.511 4.446 1.00 0.00 H new ATOM 0 HA HIS A 31 11.830 8.284 4.947 1.00 0.00 H new ATOM 0 HB2 HIS A 31 13.561 6.568 4.136 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.873 6.792 2.540 1.00 0.00 H new ATOM 0 HD1 HIS A 31 15.701 7.888 4.241 1.00 0.00 H new ATOM 0 HD2 HIS A 31 12.684 9.975 2.242 1.00 0.00 H new ATOM 0 HE1 HIS A 31 16.641 10.161 3.656 1.00 0.00 H new ATOM 483 N CYS A 32 10.297 7.373 2.115 1.00 0.00 N ATOM 484 CA CYS A 32 9.369 7.839 1.070 1.00 0.00 C ATOM 485 C CYS A 32 8.126 8.410 1.693 1.00 0.00 C ATOM 486 O CYS A 32 7.762 9.535 1.418 1.00 0.00 O ATOM 487 CB CYS A 32 9.018 6.726 0.066 1.00 0.00 C ATOM 488 SG CYS A 32 9.851 6.817 -1.549 1.00 0.00 S ATOM 0 H CYS A 32 10.570 6.394 2.028 1.00 0.00 H new ATOM 0 HA CYS A 32 9.875 8.624 0.508 1.00 0.00 H new ATOM 0 HB2 CYS A 32 9.256 5.765 0.522 1.00 0.00 H new ATOM 0 HB3 CYS A 32 7.941 6.742 -0.102 1.00 0.00 H new ATOM 493 N GLN A 33 7.527 7.641 2.575 1.00 0.00 N ATOM 494 CA GLN A 33 6.375 8.037 3.316 1.00 0.00 C ATOM 495 C GLN A 33 6.565 9.423 3.970 1.00 0.00 C ATOM 496 O GLN A 33 5.801 10.343 3.705 1.00 0.00 O ATOM 497 CB GLN A 33 6.119 6.990 4.380 1.00 0.00 C ATOM 498 CG GLN A 33 5.100 7.418 5.385 1.00 0.00 C ATOM 499 CD GLN A 33 4.980 6.489 6.572 1.00 0.00 C ATOM 500 OE1 GLN A 33 6.070 5.924 6.991 1.00 0.00 O flip ATOM 501 NE2 GLN A 33 3.905 6.339 7.149 1.00 0.00 N flip ATOM 0 H GLN A 33 7.846 6.697 2.795 1.00 0.00 H new ATOM 0 HA GLN A 33 5.524 8.117 2.639 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.786 6.068 3.903 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.054 6.764 4.892 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.353 8.416 5.742 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.129 7.492 4.895 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.067 6.798 6.793 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.851 5.756 7.984 1.00 0.00 H new ATOM 510 N MET A 34 7.621 9.572 4.765 1.00 0.00 N ATOM 511 CA MET A 34 7.843 10.813 5.497 1.00 0.00 C ATOM 512 C MET A 34 8.193 11.951 4.565 1.00 0.00 C ATOM 513 O MET A 34 7.729 13.053 4.747 1.00 0.00 O ATOM 514 CB MET A 34 8.920 10.672 6.592 1.00 0.00 C ATOM 515 CG MET A 34 10.357 10.501 6.098 1.00 0.00 C ATOM 516 SD MET A 34 11.554 10.246 7.430 1.00 0.00 S ATOM 517 CE MET A 34 11.334 11.756 8.372 1.00 0.00 C ATOM 0 H MET A 34 8.330 8.855 4.917 1.00 0.00 H new ATOM 0 HA MET A 34 6.900 11.044 5.993 1.00 0.00 H new ATOM 0 HB2 MET A 34 8.879 11.554 7.231 1.00 0.00 H new ATOM 0 HB3 MET A 34 8.666 9.815 7.216 1.00 0.00 H new ATOM 0 HG2 MET A 34 10.399 9.652 5.415 1.00 0.00 H new ATOM 0 HG3 MET A 34 10.644 11.384 5.527 1.00 0.00 H new ATOM 0 HE1 MET A 34 12.178 11.889 9.049 1.00 0.00 H new ATOM 0 HE2 MET A 34 11.278 12.605 7.691 1.00 0.00 H new ATOM 0 HE3 MET A 34 10.412 11.693 8.950 1.00 0.00 H new ATOM 527 N HIS A 35 8.967 11.665 3.538 1.00 0.00 N ATOM 528 CA HIS A 35 9.404 12.704 2.616 1.00 0.00 C ATOM 529 C HIS A 35 8.246 13.198 1.754 1.00 0.00 C ATOM 530 O HIS A 35 8.324 14.261 1.134 1.00 0.00 O ATOM 531 CB HIS A 35 10.648 12.281 1.764 1.00 0.00 C ATOM 532 CG HIS A 35 10.445 11.513 0.473 1.00 0.00 C ATOM 533 ND1 HIS A 35 9.763 12.001 -0.624 1.00 0.00 N ATOM 534 CD2 HIS A 35 10.952 10.330 0.083 1.00 0.00 C ATOM 535 CE1 HIS A 35 9.885 11.114 -1.612 1.00 0.00 C ATOM 536 NE2 HIS A 35 10.597 10.084 -1.234 1.00 0.00 N ATOM 0 H HIS A 35 9.307 10.729 3.318 1.00 0.00 H new ATOM 0 HA HIS A 35 9.741 13.545 3.222 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.200 13.189 1.520 1.00 0.00 H new ATOM 0 HB3 HIS A 35 11.292 11.678 2.404 1.00 0.00 H new ATOM 0 HD2 HIS A 35 11.545 9.672 0.701 1.00 0.00 H new ATOM 0 HE1 HIS A 35 9.453 11.231 -2.595 1.00 0.00 H new ATOM 0 HE2 HIS A 35 10.841 9.267 -1.794 1.00 0.00 H new ATOM 544 N LEU A 36 7.215 12.398 1.676 1.00 0.00 N ATOM 545 CA LEU A 36 6.017 12.775 0.968 1.00 0.00 C ATOM 546 C LEU A 36 5.035 13.517 1.867 1.00 0.00 C ATOM 547 O LEU A 36 4.326 14.399 1.413 1.00 0.00 O ATOM 548 CB LEU A 36 5.329 11.571 0.345 1.00 0.00 C ATOM 549 CG LEU A 36 6.141 10.783 -0.683 1.00 0.00 C ATOM 550 CD1 LEU A 36 5.410 9.526 -1.086 1.00 0.00 C ATOM 551 CD2 LEU A 36 6.450 11.626 -1.904 1.00 0.00 C ATOM 0 H LEU A 36 7.180 11.470 2.099 1.00 0.00 H new ATOM 0 HA LEU A 36 6.333 13.448 0.171 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.039 10.891 1.146 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.410 11.911 -0.133 1.00 0.00 H new ATOM 0 HG LEU A 36 7.086 10.505 -0.217 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.004 8.979 -1.818 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.250 8.901 -0.208 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.447 9.790 -1.524 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.028 11.037 -2.616 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.518 11.946 -2.370 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.026 12.502 -1.605 1.00 0.00 H new ATOM 563 N THR A 37 4.978 13.167 3.125 1.00 0.00 N ATOM 564 CA THR A 37 4.031 13.818 3.998 1.00 0.00 C ATOM 565 C THR A 37 4.609 15.113 4.575 1.00 0.00 C ATOM 566 O THR A 37 3.868 16.015 5.009 1.00 0.00 O ATOM 567 CB THR A 37 3.592 12.867 5.126 1.00 0.00 C ATOM 568 OG1 THR A 37 4.732 12.472 5.916 1.00 0.00 O ATOM 569 CG2 THR A 37 2.960 11.614 4.540 1.00 0.00 C ATOM 0 H THR A 37 5.560 12.453 3.563 1.00 0.00 H new ATOM 0 HA THR A 37 3.154 14.079 3.406 1.00 0.00 H new ATOM 0 HB THR A 37 2.869 13.392 5.750 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.441 11.868 6.631 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.654 10.949 5.348 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.088 11.890 3.946 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.685 11.104 3.905 1.00 0.00 H new ATOM 577 N SER A 38 5.914 15.197 4.561 1.00 0.00 N ATOM 578 CA SER A 38 6.622 16.322 5.087 1.00 0.00 C ATOM 579 C SER A 38 6.825 17.388 4.030 1.00 0.00 C ATOM 580 O SER A 38 7.320 17.114 2.924 1.00 0.00 O ATOM 581 CB SER A 38 7.977 15.879 5.677 1.00 0.00 C ATOM 582 OG SER A 38 8.721 16.969 6.203 1.00 0.00 O ATOM 0 H SER A 38 6.519 14.471 4.177 1.00 0.00 H new ATOM 0 HA SER A 38 6.018 16.755 5.885 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.805 15.146 6.465 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.562 15.383 4.903 1.00 0.00 H new ATOM 0 HG SER A 38 9.570 16.641 6.567 1.00 0.00 H new ATOM 588 N PHE A 39 6.427 18.581 4.356 1.00 0.00 N ATOM 589 CA PHE A 39 6.711 19.722 3.543 1.00 0.00 C ATOM 590 C PHE A 39 7.839 20.461 4.208 1.00 0.00 C ATOM 591 O PHE A 39 7.655 21.029 5.298 1.00 0.00 O ATOM 592 CB PHE A 39 5.482 20.611 3.383 1.00 0.00 C ATOM 593 CG PHE A 39 4.405 19.978 2.568 1.00 0.00 C ATOM 594 CD1 PHE A 39 3.367 19.291 3.167 1.00 0.00 C ATOM 595 CD2 PHE A 39 4.440 20.061 1.190 1.00 0.00 C ATOM 596 CE1 PHE A 39 2.389 18.703 2.402 1.00 0.00 C ATOM 597 CE2 PHE A 39 3.467 19.477 0.423 1.00 0.00 C ATOM 598 CZ PHE A 39 2.442 18.799 1.027 1.00 0.00 C ATOM 0 H PHE A 39 5.893 18.790 5.199 1.00 0.00 H new ATOM 0 HA PHE A 39 6.994 19.415 2.536 1.00 0.00 H new ATOM 0 HB2 PHE A 39 5.087 20.856 4.369 1.00 0.00 H new ATOM 0 HB3 PHE A 39 5.778 21.550 2.916 1.00 0.00 H new ATOM 0 HD1 PHE A 39 3.324 19.216 4.244 1.00 0.00 H new ATOM 0 HD2 PHE A 39 5.247 20.595 0.710 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.580 18.167 2.876 1.00 0.00 H new ATOM 0 HE2 PHE A 39 3.508 19.551 -0.654 1.00 0.00 H new ATOM 0 HZ PHE A 39 1.673 18.338 0.425 1.00 0.00 H new ATOM 865 N HIS A 55 16.275 11.717 -1.623 1.00 0.00 N ATOM 866 CA HIS A 55 15.366 10.765 -1.058 1.00 0.00 C ATOM 867 C HIS A 55 14.887 9.724 -2.063 1.00 0.00 C ATOM 868 O HIS A 55 14.555 8.609 -1.685 1.00 0.00 O ATOM 869 CB HIS A 55 14.209 11.468 -0.311 1.00 0.00 C ATOM 870 CG HIS A 55 13.514 12.588 -1.052 1.00 0.00 C ATOM 871 ND1 HIS A 55 12.984 13.702 -0.433 1.00 0.00 N ATOM 872 CD2 HIS A 55 13.229 12.725 -2.361 1.00 0.00 C ATOM 873 CE1 HIS A 55 12.403 14.453 -1.364 1.00 0.00 C ATOM 874 NE2 HIS A 55 12.522 13.901 -2.558 1.00 0.00 N ATOM 0 HA HIS A 55 15.924 10.196 -0.314 1.00 0.00 H new ATOM 0 HB2 HIS A 55 13.464 10.716 -0.050 1.00 0.00 H new ATOM 0 HB3 HIS A 55 14.599 11.868 0.625 1.00 0.00 H new ATOM 0 HD2 HIS A 55 13.508 12.027 -3.137 1.00 0.00 H new ATOM 0 HE1 HIS A 55 11.901 15.389 -1.170 1.00 0.00 H new ATOM 0 HE2 HIS A 55 12.167 14.265 -3.442 1.00 0.00 H new ATOM 882 N LEU A 56 14.931 10.055 -3.341 1.00 0.00 N ATOM 883 CA LEU A 56 14.530 9.113 -4.365 1.00 0.00 C ATOM 884 C LEU A 56 15.620 8.096 -4.518 1.00 0.00 C ATOM 885 O LEU A 56 15.350 6.899 -4.570 1.00 0.00 O ATOM 886 CB LEU A 56 14.203 9.830 -5.705 1.00 0.00 C ATOM 887 CG LEU A 56 13.707 8.964 -6.909 1.00 0.00 C ATOM 888 CD1 LEU A 56 14.823 8.161 -7.581 1.00 0.00 C ATOM 889 CD2 LEU A 56 12.580 8.043 -6.481 1.00 0.00 C ATOM 0 H LEU A 56 15.238 10.963 -3.691 1.00 0.00 H new ATOM 0 HA LEU A 56 13.610 8.611 -4.067 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.442 10.583 -5.502 1.00 0.00 H new ATOM 0 HB3 LEU A 56 15.099 10.361 -6.025 1.00 0.00 H new ATOM 0 HG LEU A 56 13.338 9.668 -7.655 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.409 7.583 -8.407 1.00 0.00 H new ATOM 0 HD12 LEU A 56 15.584 8.843 -7.960 1.00 0.00 H new ATOM 0 HD13 LEU A 56 15.272 7.484 -6.854 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.251 7.450 -7.334 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.933 7.379 -5.692 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.746 8.638 -6.109 1.00 0.00 H new ATOM 901 N SER A 57 16.849 8.568 -4.530 1.00 0.00 N ATOM 902 CA SER A 57 18.002 7.713 -4.653 1.00 0.00 C ATOM 903 C SER A 57 18.096 6.764 -3.458 1.00 0.00 C ATOM 904 O SER A 57 18.624 5.678 -3.562 1.00 0.00 O ATOM 905 CB SER A 57 19.245 8.577 -4.792 1.00 0.00 C ATOM 906 OG SER A 57 19.063 9.501 -5.862 1.00 0.00 O ATOM 0 H SER A 57 17.073 9.560 -4.454 1.00 0.00 H new ATOM 0 HA SER A 57 17.911 7.091 -5.544 1.00 0.00 H new ATOM 0 HB2 SER A 57 19.434 9.113 -3.862 1.00 0.00 H new ATOM 0 HB3 SER A 57 20.117 7.951 -4.982 1.00 0.00 H new ATOM 0 HG SER A 57 19.863 10.060 -5.951 1.00 0.00 H new ATOM 912 N LEU A 58 17.530 7.178 -2.349 1.00 0.00 N ATOM 913 CA LEU A 58 17.500 6.362 -1.161 1.00 0.00 C ATOM 914 C LEU A 58 16.316 5.400 -1.202 1.00 0.00 C ATOM 915 O LEU A 58 16.465 4.212 -0.938 1.00 0.00 O ATOM 916 CB LEU A 58 17.400 7.257 0.061 1.00 0.00 C ATOM 917 CG LEU A 58 18.482 8.317 0.172 1.00 0.00 C ATOM 918 CD1 LEU A 58 18.210 9.226 1.353 1.00 0.00 C ATOM 919 CD2 LEU A 58 19.854 7.670 0.298 1.00 0.00 C ATOM 0 H LEU A 58 17.079 8.087 -2.246 1.00 0.00 H new ATOM 0 HA LEU A 58 18.417 5.775 -1.110 1.00 0.00 H new ATOM 0 HB2 LEU A 58 16.428 7.751 0.052 1.00 0.00 H new ATOM 0 HB3 LEU A 58 17.432 6.632 0.954 1.00 0.00 H new ATOM 0 HG LEU A 58 18.471 8.919 -0.737 1.00 0.00 H new ATOM 0 HD11 LEU A 58 18.994 9.980 1.420 1.00 0.00 H new ATOM 0 HD12 LEU A 58 17.245 9.716 1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 58 18.195 8.637 2.270 1.00 0.00 H new ATOM 0 HD21 LEU A 58 20.616 8.445 0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 58 19.880 7.044 1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 58 20.049 7.057 -0.582 1.00 0.00 H new ATOM 931 N CYS A 59 15.152 5.918 -1.542 1.00 0.00 N ATOM 932 CA CYS A 59 13.926 5.134 -1.559 1.00 0.00 C ATOM 933 C CYS A 59 13.928 4.086 -2.677 1.00 0.00 C ATOM 934 O CYS A 59 13.712 2.908 -2.409 1.00 0.00 O ATOM 935 CB CYS A 59 12.726 6.058 -1.681 1.00 0.00 C ATOM 936 SG CYS A 59 11.115 5.246 -1.553 1.00 0.00 S ATOM 0 H CYS A 59 15.026 6.893 -1.814 1.00 0.00 H new ATOM 0 HA CYS A 59 13.862 4.588 -0.618 1.00 0.00 H new ATOM 0 HB2 CYS A 59 12.794 6.820 -0.905 1.00 0.00 H new ATOM 0 HB3 CYS A 59 12.780 6.574 -2.640 1.00 0.00 H new ATOM 941 N CYS A 60 14.234 4.506 -3.916 1.00 0.00 N ATOM 942 CA CYS A 60 14.310 3.594 -5.066 1.00 0.00 C ATOM 943 C CYS A 60 15.338 2.502 -4.803 1.00 0.00 C ATOM 944 O CYS A 60 15.128 1.353 -5.138 1.00 0.00 O ATOM 945 CB CYS A 60 14.625 4.385 -6.369 1.00 0.00 C ATOM 946 SG CYS A 60 14.857 3.405 -7.920 1.00 0.00 S ATOM 0 H CYS A 60 14.434 5.479 -4.146 1.00 0.00 H new ATOM 0 HA CYS A 60 13.342 3.112 -5.204 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.815 5.095 -6.537 1.00 0.00 H new ATOM 0 HB3 CYS A 60 15.530 4.968 -6.199 1.00 0.00 H new ATOM 951 N ASN A 61 16.395 2.859 -4.095 1.00 0.00 N ATOM 952 CA ASN A 61 17.473 1.909 -3.790 1.00 0.00 C ATOM 953 C ASN A 61 17.069 0.943 -2.691 1.00 0.00 C ATOM 954 O ASN A 61 17.536 -0.194 -2.636 1.00 0.00 O ATOM 955 CB ASN A 61 18.737 2.657 -3.402 1.00 0.00 C ATOM 956 CG ASN A 61 19.929 1.757 -3.064 1.00 0.00 C ATOM 957 OD1 ASN A 61 20.683 1.338 -3.942 1.00 0.00 O ATOM 958 ND2 ASN A 61 20.147 1.508 -1.796 1.00 0.00 N ATOM 0 H ASN A 61 16.538 3.796 -3.717 1.00 0.00 H new ATOM 0 HA ASN A 61 17.669 1.324 -4.688 1.00 0.00 H new ATOM 0 HB2 ASN A 61 19.018 3.319 -4.221 1.00 0.00 H new ATOM 0 HB3 ASN A 61 18.520 3.290 -2.541 1.00 0.00 H new ATOM 0 HD21 ASN A 61 20.957 0.955 -1.517 1.00 0.00 H new ATOM 0 HD22 ASN A 61 19.506 1.867 -1.088 1.00 0.00 H new ATOM 965 N GLN A 62 16.182 1.382 -1.849 1.00 0.00 N ATOM 966 CA GLN A 62 15.747 0.586 -0.728 1.00 0.00 C ATOM 967 C GLN A 62 14.669 -0.389 -1.176 1.00 0.00 C ATOM 968 O GLN A 62 14.696 -1.575 -0.818 1.00 0.00 O ATOM 969 CB GLN A 62 15.249 1.511 0.402 1.00 0.00 C ATOM 970 CG GLN A 62 14.875 0.843 1.731 1.00 0.00 C ATOM 971 CD GLN A 62 16.048 0.178 2.445 1.00 0.00 C ATOM 972 OE1 GLN A 62 16.980 -0.326 1.820 1.00 0.00 O ATOM 973 NE2 GLN A 62 16.034 0.198 3.751 1.00 0.00 N ATOM 0 H GLN A 62 15.738 2.298 -1.914 1.00 0.00 H new ATOM 0 HA GLN A 62 16.582 0.002 -0.340 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.024 2.251 0.601 1.00 0.00 H new ATOM 0 HB3 GLN A 62 14.376 2.053 0.037 1.00 0.00 H new ATOM 0 HG2 GLN A 62 14.439 1.592 2.392 1.00 0.00 H new ATOM 0 HG3 GLN A 62 14.105 0.094 1.545 1.00 0.00 H new ATOM 0 HE21 GLN A 62 15.249 0.622 4.246 1.00 0.00 H new ATOM 0 HE22 GLN A 62 16.808 -0.210 4.276 1.00 0.00 H new ATOM 982 N LEU A 63 13.766 0.101 -2.004 1.00 0.00 N ATOM 983 CA LEU A 63 12.663 -0.697 -2.500 1.00 0.00 C ATOM 984 C LEU A 63 13.177 -1.746 -3.482 1.00 0.00 C ATOM 985 O LEU A 63 12.663 -2.841 -3.558 1.00 0.00 O ATOM 986 CB LEU A 63 11.595 0.221 -3.164 1.00 0.00 C ATOM 987 CG LEU A 63 11.941 0.867 -4.506 1.00 0.00 C ATOM 988 CD1 LEU A 63 11.626 -0.041 -5.667 1.00 0.00 C ATOM 989 CD2 LEU A 63 11.244 2.185 -4.648 1.00 0.00 C ATOM 0 H LEU A 63 13.777 1.060 -2.350 1.00 0.00 H new ATOM 0 HA LEU A 63 12.191 -1.216 -1.666 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.687 -0.367 -3.300 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.356 1.019 -2.461 1.00 0.00 H new ATOM 0 HG LEU A 63 13.017 1.040 -4.521 1.00 0.00 H new ATOM 0 HD11 LEU A 63 11.887 0.458 -6.600 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.201 -0.962 -5.575 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.562 -0.276 -5.667 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.501 2.631 -5.609 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.166 2.034 -4.595 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.557 2.851 -3.844 1.00 0.00 H new ATOM 1001 N GLN A 64 14.214 -1.393 -4.226 1.00 0.00 N ATOM 1002 CA GLN A 64 14.747 -2.275 -5.248 1.00 0.00 C ATOM 1003 C GLN A 64 15.454 -3.493 -4.668 1.00 0.00 C ATOM 1004 O GLN A 64 15.709 -4.456 -5.385 1.00 0.00 O ATOM 1005 CB GLN A 64 15.661 -1.537 -6.216 1.00 0.00 C ATOM 1006 CG GLN A 64 16.984 -1.125 -5.636 1.00 0.00 C ATOM 1007 CD GLN A 64 17.896 -0.456 -6.653 1.00 0.00 C ATOM 1008 OE1 GLN A 64 18.713 0.393 -6.310 1.00 0.00 O ATOM 1009 NE2 GLN A 64 17.774 -0.830 -7.900 1.00 0.00 N ATOM 0 H GLN A 64 14.702 -0.501 -4.140 1.00 0.00 H new ATOM 0 HA GLN A 64 13.883 -2.638 -5.804 1.00 0.00 H new ATOM 0 HB2 GLN A 64 15.841 -2.174 -7.082 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.144 -0.648 -6.576 1.00 0.00 H new ATOM 0 HG2 GLN A 64 16.813 -0.441 -4.804 1.00 0.00 H new ATOM 0 HG3 GLN A 64 17.485 -2.003 -5.229 1.00 0.00 H new ATOM 0 HE21 GLN A 64 17.086 -1.538 -8.155 1.00 0.00 H new ATOM 0 HE22 GLN A 64 18.367 -0.414 -8.618 1.00 0.00 H new ATOM 1018 N GLU A 65 15.772 -3.468 -3.381 1.00 0.00 N ATOM 1019 CA GLU A 65 16.402 -4.626 -2.783 1.00 0.00 C ATOM 1020 C GLU A 65 15.369 -5.688 -2.466 1.00 0.00 C ATOM 1021 O GLU A 65 15.703 -6.838 -2.150 1.00 0.00 O ATOM 1022 CB GLU A 65 17.227 -4.289 -1.554 1.00 0.00 C ATOM 1023 CG GLU A 65 18.372 -3.347 -1.831 1.00 0.00 C ATOM 1024 CD GLU A 65 19.417 -3.404 -0.762 1.00 0.00 C ATOM 1025 OE1 GLU A 65 19.257 -2.778 0.299 1.00 0.00 O ATOM 1026 OE2 GLU A 65 20.429 -4.097 -0.962 1.00 0.00 O ATOM 0 H GLU A 65 15.609 -2.682 -2.751 1.00 0.00 H new ATOM 0 HA GLU A 65 17.101 -5.017 -3.522 1.00 0.00 H new ATOM 0 HB2 GLU A 65 16.576 -3.844 -0.801 1.00 0.00 H new ATOM 0 HB3 GLU A 65 17.622 -5.211 -1.128 1.00 0.00 H new ATOM 0 HG2 GLU A 65 18.822 -3.597 -2.792 1.00 0.00 H new ATOM 0 HG3 GLU A 65 17.992 -2.329 -1.912 1.00 0.00 H new ATOM 1033 N VAL A 66 14.123 -5.288 -2.524 1.00 0.00 N ATOM 1034 CA VAL A 66 12.996 -6.189 -2.361 1.00 0.00 C ATOM 1035 C VAL A 66 12.822 -6.968 -3.687 1.00 0.00 C ATOM 1036 O VAL A 66 13.416 -6.584 -4.723 1.00 0.00 O ATOM 1037 CB VAL A 66 11.686 -5.381 -2.051 1.00 0.00 C ATOM 1038 CG1 VAL A 66 10.532 -6.280 -1.652 1.00 0.00 C ATOM 1039 CG2 VAL A 66 11.929 -4.351 -0.975 1.00 0.00 C ATOM 0 H VAL A 66 13.854 -4.318 -2.687 1.00 0.00 H new ATOM 0 HA VAL A 66 13.180 -6.870 -1.530 1.00 0.00 H new ATOM 0 HB VAL A 66 11.408 -4.876 -2.976 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.651 -5.672 -1.448 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.314 -6.974 -2.464 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.800 -6.841 -0.757 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.006 -3.805 -0.779 1.00 0.00 H new ATOM 0 HG22 VAL A 66 12.257 -4.849 -0.062 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.699 -3.654 -1.305 1.00 0.00 H new ATOM 1049 N GLU A 67 12.071 -8.070 -3.644 1.00 0.00 N ATOM 1050 CA GLU A 67 11.741 -8.873 -4.826 1.00 0.00 C ATOM 1051 C GLU A 67 11.249 -7.995 -5.949 1.00 0.00 C ATOM 1052 O GLU A 67 10.501 -7.052 -5.709 1.00 0.00 O ATOM 1053 CB GLU A 67 10.672 -9.884 -4.472 1.00 0.00 C ATOM 1054 CG GLU A 67 11.174 -10.987 -3.599 1.00 0.00 C ATOM 1055 CD GLU A 67 10.086 -11.929 -3.163 1.00 0.00 C ATOM 1056 OE1 GLU A 67 9.568 -11.786 -2.039 1.00 0.00 O ATOM 1057 OE2 GLU A 67 9.735 -12.838 -3.929 1.00 0.00 O ATOM 0 H GLU A 67 11.670 -8.435 -2.780 1.00 0.00 H new ATOM 0 HA GLU A 67 12.643 -9.389 -5.156 1.00 0.00 H new ATOM 0 HB2 GLU A 67 9.851 -9.374 -3.967 1.00 0.00 H new ATOM 0 HB3 GLU A 67 10.266 -10.311 -5.389 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.940 -11.548 -4.135 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.651 -10.558 -2.718 1.00 0.00 H new ATOM 1064 N LYS A 68 11.620 -8.330 -7.168 1.00 0.00 N ATOM 1065 CA LYS A 68 11.325 -7.484 -8.320 1.00 0.00 C ATOM 1066 C LYS A 68 9.834 -7.290 -8.540 1.00 0.00 C ATOM 1067 O LYS A 68 9.406 -6.249 -9.001 1.00 0.00 O ATOM 1068 CB LYS A 68 12.016 -7.984 -9.585 1.00 0.00 C ATOM 1069 CG LYS A 68 11.546 -9.328 -10.117 1.00 0.00 C ATOM 1070 CD LYS A 68 12.461 -9.815 -11.224 1.00 0.00 C ATOM 1071 CE LYS A 68 12.496 -8.867 -12.417 1.00 0.00 C ATOM 1072 NZ LYS A 68 13.473 -9.297 -13.436 1.00 0.00 N ATOM 0 H LYS A 68 12.129 -9.185 -7.393 1.00 0.00 H new ATOM 0 HA LYS A 68 11.736 -6.502 -8.087 1.00 0.00 H new ATOM 0 HB2 LYS A 68 11.879 -7.238 -10.368 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.086 -8.048 -9.389 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.525 -10.058 -9.308 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.527 -9.240 -10.493 1.00 0.00 H new ATOM 0 HD2 LYS A 68 13.470 -9.934 -10.830 1.00 0.00 H new ATOM 0 HD3 LYS A 68 12.131 -10.799 -11.557 1.00 0.00 H new ATOM 0 HE2 LYS A 68 11.504 -8.812 -12.866 1.00 0.00 H new ATOM 0 HE3 LYS A 68 12.747 -7.863 -12.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 13.465 -8.625 -14.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 14.424 -9.325 -13.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 13.220 -10.245 -13.782 1.00 0.00 H new ATOM 1086 N GLN A 69 9.045 -8.261 -8.149 1.00 0.00 N ATOM 1087 CA GLN A 69 7.600 -8.146 -8.296 1.00 0.00 C ATOM 1088 C GLN A 69 7.023 -7.295 -7.155 1.00 0.00 C ATOM 1089 O GLN A 69 5.985 -6.670 -7.289 1.00 0.00 O ATOM 1090 CB GLN A 69 6.933 -9.532 -8.306 1.00 0.00 C ATOM 1091 CG GLN A 69 7.126 -10.321 -7.018 1.00 0.00 C ATOM 1092 CD GLN A 69 6.370 -11.627 -6.992 1.00 0.00 C ATOM 1093 OE1 GLN A 69 6.162 -12.269 -8.018 1.00 0.00 O ATOM 1094 NE2 GLN A 69 5.922 -12.008 -5.828 1.00 0.00 N ATOM 0 H GLN A 69 9.366 -9.134 -7.730 1.00 0.00 H new ATOM 0 HA GLN A 69 7.392 -7.661 -9.250 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.865 -9.409 -8.488 1.00 0.00 H new ATOM 0 HB3 GLN A 69 7.334 -10.111 -9.138 1.00 0.00 H new ATOM 0 HG2 GLN A 69 8.188 -10.523 -6.881 1.00 0.00 H new ATOM 0 HG3 GLN A 69 6.806 -9.709 -6.175 1.00 0.00 H new ATOM 0 HE21 GLN A 69 6.116 -11.447 -4.998 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.378 -12.867 -5.747 1.00 0.00 H new ATOM 1103 N CYS A 70 7.764 -7.220 -6.072 1.00 0.00 N ATOM 1104 CA CYS A 70 7.297 -6.588 -4.862 1.00 0.00 C ATOM 1105 C CYS A 70 7.837 -5.167 -4.712 1.00 0.00 C ATOM 1106 O CYS A 70 7.418 -4.435 -3.831 1.00 0.00 O ATOM 1107 CB CYS A 70 7.690 -7.441 -3.668 1.00 0.00 C ATOM 1108 SG CYS A 70 7.105 -9.175 -3.776 1.00 0.00 S ATOM 0 H CYS A 70 8.710 -7.597 -6.007 1.00 0.00 H new ATOM 0 HA CYS A 70 6.211 -6.508 -4.915 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.776 -7.439 -3.573 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.289 -6.988 -2.761 1.00 0.00 H new ATOM 1113 N GLN A 71 8.760 -4.786 -5.582 1.00 0.00 N ATOM 1114 CA GLN A 71 9.328 -3.428 -5.592 1.00 0.00 C ATOM 1115 C GLN A 71 8.252 -2.396 -5.843 1.00 0.00 C ATOM 1116 O GLN A 71 8.205 -1.362 -5.197 1.00 0.00 O ATOM 1117 CB GLN A 71 10.411 -3.333 -6.643 1.00 0.00 C ATOM 1118 CG GLN A 71 11.667 -4.078 -6.279 1.00 0.00 C ATOM 1119 CD GLN A 71 12.703 -4.067 -7.377 1.00 0.00 C ATOM 1120 OE1 GLN A 71 12.786 -3.131 -8.183 1.00 0.00 O ATOM 1121 NE2 GLN A 71 13.522 -5.071 -7.396 1.00 0.00 N ATOM 0 H GLN A 71 9.141 -5.400 -6.302 1.00 0.00 H new ATOM 0 HA GLN A 71 9.765 -3.225 -4.614 1.00 0.00 H new ATOM 0 HB2 GLN A 71 10.027 -3.723 -7.586 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.655 -2.284 -6.808 1.00 0.00 H new ATOM 0 HG2 GLN A 71 12.096 -3.637 -5.379 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.413 -5.110 -6.038 1.00 0.00 H new ATOM 0 HE21 GLN A 71 13.422 -5.824 -6.715 1.00 0.00 H new ATOM 0 HE22 GLN A 71 14.267 -5.108 -8.092 1.00 0.00 H new ATOM 1130 N CYS A 72 7.359 -2.689 -6.755 1.00 0.00 N ATOM 1131 CA CYS A 72 6.256 -1.799 -7.004 1.00 0.00 C ATOM 1132 C CYS A 72 5.188 -1.939 -5.964 1.00 0.00 C ATOM 1133 O CYS A 72 4.413 -1.018 -5.724 1.00 0.00 O ATOM 1134 CB CYS A 72 5.700 -1.964 -8.383 1.00 0.00 C ATOM 1135 SG CYS A 72 5.398 -3.672 -8.921 1.00 0.00 S ATOM 0 H CYS A 72 7.374 -3.530 -7.332 1.00 0.00 H new ATOM 0 HA CYS A 72 6.649 -0.784 -6.937 1.00 0.00 H new ATOM 0 HB2 CYS A 72 4.761 -1.414 -8.443 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.388 -1.498 -9.089 1.00 0.00 H new ATOM 1140 N GLU A 73 5.156 -3.078 -5.338 1.00 0.00 N ATOM 1141 CA GLU A 73 4.216 -3.324 -4.280 1.00 0.00 C ATOM 1142 C GLU A 73 4.580 -2.490 -3.057 1.00 0.00 C ATOM 1143 O GLU A 73 3.709 -2.040 -2.298 1.00 0.00 O ATOM 1144 CB GLU A 73 4.156 -4.800 -3.932 1.00 0.00 C ATOM 1145 CG GLU A 73 3.722 -5.689 -5.092 1.00 0.00 C ATOM 1146 CD GLU A 73 2.341 -5.371 -5.642 1.00 0.00 C ATOM 1147 OE1 GLU A 73 1.874 -6.098 -6.522 1.00 0.00 O ATOM 1148 OE2 GLU A 73 1.687 -4.403 -5.189 1.00 0.00 O ATOM 0 H GLU A 73 5.777 -3.861 -5.543 1.00 0.00 H new ATOM 0 HA GLU A 73 3.224 -3.029 -4.623 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.138 -5.123 -3.587 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.465 -4.940 -3.101 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.451 -5.597 -5.897 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.739 -6.728 -4.764 1.00 0.00 H new ATOM 1155 N ALA A 74 5.874 -2.244 -2.900 1.00 0.00 N ATOM 1156 CA ALA A 74 6.390 -1.416 -1.840 1.00 0.00 C ATOM 1157 C ALA A 74 5.861 0.002 -1.989 1.00 0.00 C ATOM 1158 O ALA A 74 5.661 0.707 -1.019 1.00 0.00 O ATOM 1159 CB ALA A 74 7.909 -1.419 -1.869 1.00 0.00 C ATOM 0 H ALA A 74 6.594 -2.621 -3.516 1.00 0.00 H new ATOM 0 HA ALA A 74 6.060 -1.816 -0.881 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.290 -0.790 -1.064 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.273 -2.438 -1.737 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.255 -1.031 -2.827 1.00 0.00 H new ATOM 1165 N ILE A 75 5.560 0.367 -3.222 1.00 0.00 N ATOM 1166 CA ILE A 75 5.059 1.684 -3.540 1.00 0.00 C ATOM 1167 C ILE A 75 3.614 1.819 -3.077 1.00 0.00 C ATOM 1168 O ILE A 75 3.158 2.910 -2.753 1.00 0.00 O ATOM 1169 CB ILE A 75 5.123 1.959 -5.065 1.00 0.00 C ATOM 1170 CG1 ILE A 75 6.509 1.639 -5.631 1.00 0.00 C ATOM 1171 CG2 ILE A 75 4.730 3.384 -5.382 1.00 0.00 C ATOM 1172 CD1 ILE A 75 7.662 2.304 -4.928 1.00 0.00 C ATOM 0 H ILE A 75 5.658 -0.247 -4.031 1.00 0.00 H new ATOM 0 HA ILE A 75 5.688 2.409 -3.024 1.00 0.00 H new ATOM 0 HB ILE A 75 4.403 1.296 -5.546 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.657 0.560 -5.595 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.530 1.929 -6.682 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.785 3.546 -6.459 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.711 3.565 -5.039 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.410 4.070 -4.877 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.597 2.012 -5.406 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.548 3.386 -4.986 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.677 1.996 -3.883 1.00 0.00 H new ATOM 1184 N LYS A 76 2.919 0.690 -2.963 1.00 0.00 N ATOM 1185 CA LYS A 76 1.505 0.728 -2.605 1.00 0.00 C ATOM 1186 C LYS A 76 1.475 1.051 -1.143 1.00 0.00 C ATOM 1187 O LYS A 76 0.738 1.923 -0.667 1.00 0.00 O ATOM 1188 CB LYS A 76 0.850 -0.650 -2.817 1.00 0.00 C ATOM 1189 CG LYS A 76 1.164 -1.332 -4.148 1.00 0.00 C ATOM 1190 CD LYS A 76 0.661 -0.571 -5.353 1.00 0.00 C ATOM 1191 CE LYS A 76 1.023 -1.295 -6.656 1.00 0.00 C ATOM 1192 NZ LYS A 76 0.468 -2.666 -6.718 1.00 0.00 N ATOM 0 H LYS A 76 3.302 -0.244 -3.110 1.00 0.00 H new ATOM 0 HA LYS A 76 0.966 1.453 -3.215 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.164 -1.310 -2.008 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.231 -0.535 -2.734 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.243 -1.461 -4.235 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.723 -2.329 -4.149 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.421 -0.454 -5.287 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.090 0.431 -5.359 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.652 -0.718 -7.503 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.108 -1.341 -6.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 0.344 -2.946 -7.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.122 -3.327 -6.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.452 -2.690 -6.234 1.00 0.00 H new ATOM 1206 N GLN A 77 2.395 0.390 -0.478 1.00 0.00 N ATOM 1207 CA GLN A 77 2.617 0.470 0.945 1.00 0.00 C ATOM 1208 C GLN A 77 2.861 1.900 1.350 1.00 0.00 C ATOM 1209 O GLN A 77 2.247 2.380 2.294 1.00 0.00 O ATOM 1210 CB GLN A 77 3.835 -0.355 1.281 1.00 0.00 C ATOM 1211 CG GLN A 77 3.726 -1.792 0.813 1.00 0.00 C ATOM 1212 CD GLN A 77 2.832 -2.643 1.682 1.00 0.00 C ATOM 1213 OE1 GLN A 77 2.694 -2.406 2.884 1.00 0.00 O ATOM 1214 NE2 GLN A 77 2.244 -3.645 1.105 1.00 0.00 N ATOM 0 H GLN A 77 3.041 -0.250 -0.940 1.00 0.00 H new ATOM 0 HA GLN A 77 1.741 0.097 1.477 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.714 0.103 0.827 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.990 -0.341 2.360 1.00 0.00 H new ATOM 0 HG2 GLN A 77 3.346 -1.805 -0.208 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.722 -2.234 0.788 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.381 -3.811 0.108 1.00 0.00 H new ATOM 0 HE22 GLN A 77 1.645 -4.267 1.648 1.00 0.00 H new ATOM 1223 N VAL A 78 3.731 2.588 0.583 1.00 0.00 N ATOM 1224 CA VAL A 78 4.084 3.980 0.860 1.00 0.00 C ATOM 1225 C VAL A 78 2.834 4.831 0.930 1.00 0.00 C ATOM 1226 O VAL A 78 2.653 5.606 1.863 1.00 0.00 O ATOM 1227 CB VAL A 78 4.979 4.629 -0.229 1.00 0.00 C ATOM 1228 CG1 VAL A 78 5.441 5.996 0.219 1.00 0.00 C ATOM 1229 CG2 VAL A 78 6.153 3.772 -0.600 1.00 0.00 C ATOM 0 H VAL A 78 4.199 2.194 -0.233 1.00 0.00 H new ATOM 0 HA VAL A 78 4.631 3.948 1.802 1.00 0.00 H new ATOM 0 HB VAL A 78 4.368 4.730 -1.126 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.068 6.440 -0.554 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.574 6.634 0.394 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.014 5.902 1.141 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.744 4.276 -1.365 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.771 3.601 0.281 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.798 2.816 -0.986 1.00 0.00 H new ATOM 1239 N VAL A 79 1.953 4.640 -0.038 1.00 0.00 N ATOM 1240 CA VAL A 79 0.768 5.459 -0.146 1.00 0.00 C ATOM 1241 C VAL A 79 -0.135 5.160 1.021 1.00 0.00 C ATOM 1242 O VAL A 79 -0.568 6.061 1.740 1.00 0.00 O ATOM 1243 CB VAL A 79 -0.005 5.178 -1.457 1.00 0.00 C ATOM 1244 CG1 VAL A 79 -1.153 6.161 -1.624 1.00 0.00 C ATOM 1245 CG2 VAL A 79 0.925 5.208 -2.660 1.00 0.00 C ATOM 0 H VAL A 79 2.041 3.923 -0.758 1.00 0.00 H new ATOM 0 HA VAL A 79 1.076 6.505 -0.149 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.426 4.175 -1.393 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.684 5.946 -2.552 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.839 6.065 -0.783 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.760 7.177 -1.658 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.354 5.007 -3.566 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.391 6.190 -2.735 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.697 4.448 -2.542 1.00 0.00 H new ATOM 1255 N GLU A 80 -0.322 3.882 1.239 1.00 0.00 N ATOM 1256 CA GLU A 80 -1.193 3.355 2.251 1.00 0.00 C ATOM 1257 C GLU A 80 -0.811 3.851 3.651 1.00 0.00 C ATOM 1258 O GLU A 80 -1.676 4.309 4.406 1.00 0.00 O ATOM 1259 CB GLU A 80 -1.177 1.833 2.163 1.00 0.00 C ATOM 1260 CG GLU A 80 -2.066 1.128 3.149 1.00 0.00 C ATOM 1261 CD GLU A 80 -2.147 -0.340 2.868 1.00 0.00 C ATOM 1262 OE1 GLU A 80 -3.106 -0.769 2.180 1.00 0.00 O ATOM 1263 OE2 GLU A 80 -1.272 -1.093 3.302 1.00 0.00 O ATOM 0 H GLU A 80 0.146 3.157 0.695 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.207 3.715 2.075 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.473 1.540 1.156 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -0.154 1.487 2.308 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.687 1.285 4.159 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.065 1.561 3.113 1.00 0.00 H new ATOM 1270 N GLN A 81 0.469 3.812 3.972 1.00 0.00 N ATOM 1271 CA GLN A 81 0.940 4.231 5.286 1.00 0.00 C ATOM 1272 C GLN A 81 0.984 5.761 5.405 1.00 0.00 C ATOM 1273 O GLN A 81 0.670 6.312 6.461 1.00 0.00 O ATOM 1274 CB GLN A 81 2.316 3.611 5.595 1.00 0.00 C ATOM 1275 CG GLN A 81 3.408 4.021 4.613 1.00 0.00 C ATOM 1276 CD GLN A 81 4.747 3.359 4.842 1.00 0.00 C ATOM 1277 OE1 GLN A 81 5.488 3.143 3.913 1.00 0.00 O ATOM 1278 NE2 GLN A 81 5.077 3.058 6.065 1.00 0.00 N ATOM 0 H GLN A 81 1.205 3.494 3.342 1.00 0.00 H new ATOM 0 HA GLN A 81 0.229 3.867 6.027 1.00 0.00 H new ATOM 0 HB2 GLN A 81 2.617 3.901 6.602 1.00 0.00 H new ATOM 0 HB3 GLN A 81 2.225 2.525 5.590 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.073 3.791 3.602 1.00 0.00 H new ATOM 0 HG3 GLN A 81 3.539 5.102 4.667 1.00 0.00 H new ATOM 0 HE21 GLN A 81 4.431 3.252 6.830 1.00 0.00 H new ATOM 0 HE22 GLN A 81 5.982 2.628 6.258 1.00 0.00 H new ATOM 1287 N ALA A 82 1.318 6.441 4.320 1.00 0.00 N ATOM 1288 CA ALA A 82 1.441 7.890 4.340 1.00 0.00 C ATOM 1289 C ALA A 82 0.086 8.561 4.466 1.00 0.00 C ATOM 1290 O ALA A 82 -0.069 9.543 5.197 1.00 0.00 O ATOM 1291 CB ALA A 82 2.175 8.392 3.106 1.00 0.00 C ATOM 0 H ALA A 82 1.509 6.013 3.414 1.00 0.00 H new ATOM 0 HA ALA A 82 2.028 8.156 5.219 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.253 9.478 3.146 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.174 7.957 3.075 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.624 8.101 2.212 1.00 0.00 H new ATOM 1297 N GLN A 83 -0.903 8.012 3.794 1.00 0.00 N ATOM 1298 CA GLN A 83 -2.224 8.585 3.828 1.00 0.00 C ATOM 1299 C GLN A 83 -2.864 8.336 5.179 1.00 0.00 C ATOM 1300 O GLN A 83 -3.517 9.212 5.728 1.00 0.00 O ATOM 1301 CB GLN A 83 -3.113 8.059 2.680 1.00 0.00 C ATOM 1302 CG GLN A 83 -3.461 6.578 2.750 1.00 0.00 C ATOM 1303 CD GLN A 83 -4.240 6.103 1.547 1.00 0.00 C ATOM 1304 OE1 GLN A 83 -3.669 5.653 0.560 1.00 0.00 O ATOM 1305 NE2 GLN A 83 -5.531 6.220 1.606 1.00 0.00 N ATOM 0 H GLN A 83 -0.815 7.173 3.221 1.00 0.00 H new ATOM 0 HA GLN A 83 -2.128 9.661 3.680 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -4.040 8.633 2.669 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.607 8.252 1.734 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -2.543 5.997 2.835 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.043 6.388 3.652 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -5.971 6.599 2.445 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -6.106 5.933 0.814 1.00 0.00 H new ATOM 1314 N LYS A 84 -2.601 7.164 5.752 1.00 0.00 N ATOM 1315 CA LYS A 84 -3.214 6.802 7.010 1.00 0.00 C ATOM 1316 C LYS A 84 -2.607 7.581 8.161 1.00 0.00 C ATOM 1317 O LYS A 84 -3.301 7.937 9.120 1.00 0.00 O ATOM 1318 CB LYS A 84 -3.190 5.256 7.246 1.00 0.00 C ATOM 1319 CG LYS A 84 -1.832 4.575 7.503 1.00 0.00 C ATOM 1320 CD LYS A 84 -1.324 4.791 8.907 1.00 0.00 C ATOM 1321 CE LYS A 84 -0.184 3.865 9.248 1.00 0.00 C ATOM 1322 NZ LYS A 84 0.333 4.105 10.613 1.00 0.00 N ATOM 0 H LYS A 84 -1.973 6.461 5.363 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.266 7.083 6.960 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.836 5.040 8.097 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.640 4.780 6.375 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.927 3.505 7.317 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.099 4.959 6.794 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -0.996 5.825 9.018 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.139 4.637 9.614 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.519 2.831 9.163 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.621 4.000 8.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.115 3.448 10.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.676 5.084 10.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.428 3.952 11.305 1.00 0.00 H new ATOM 1336 N GLN A 85 -1.319 7.895 8.047 1.00 0.00 N ATOM 1337 CA GLN A 85 -0.639 8.576 9.115 1.00 0.00 C ATOM 1338 C GLN A 85 -1.096 10.024 9.208 1.00 0.00 C ATOM 1339 O GLN A 85 -1.070 10.615 10.276 1.00 0.00 O ATOM 1340 CB GLN A 85 0.881 8.475 9.009 1.00 0.00 C ATOM 1341 CG GLN A 85 1.516 9.310 7.924 1.00 0.00 C ATOM 1342 CD GLN A 85 2.895 9.792 8.308 1.00 0.00 C ATOM 1343 OE1 GLN A 85 3.884 9.002 8.064 1.00 0.00 O flip ATOM 1344 NE2 GLN A 85 3.050 10.877 8.868 1.00 0.00 N flip ATOM 0 H GLN A 85 -0.742 7.687 7.232 1.00 0.00 H new ATOM 0 HA GLN A 85 -0.912 8.069 10.040 1.00 0.00 H new ATOM 0 HB2 GLN A 85 1.314 8.765 9.966 1.00 0.00 H new ATOM 0 HB3 GLN A 85 1.147 7.431 8.842 1.00 0.00 H new ATOM 0 HG2 GLN A 85 1.580 8.724 7.007 1.00 0.00 H new ATOM 0 HG3 GLN A 85 0.880 10.169 7.709 1.00 0.00 H new ATOM 0 HE21 GLN A 85 2.246 11.478 9.046 1.00 0.00 H new ATOM 0 HE22 GLN A 85 3.983 11.175 9.154 1.00 0.00 H new ATOM 1353 N LEU A 86 -1.497 10.586 8.089 1.00 0.00 N ATOM 1354 CA LEU A 86 -2.064 11.927 8.081 1.00 0.00 C ATOM 1355 C LEU A 86 -3.555 11.896 8.383 1.00 0.00 C ATOM 1356 O LEU A 86 -4.077 12.785 9.060 1.00 0.00 O ATOM 1357 CB LEU A 86 -1.758 12.658 6.758 1.00 0.00 C ATOM 1358 CG LEU A 86 -0.471 13.498 6.728 1.00 0.00 C ATOM 1359 CD1 LEU A 86 -0.589 14.691 7.645 1.00 0.00 C ATOM 1360 CD2 LEU A 86 0.732 12.688 7.123 1.00 0.00 C ATOM 0 H LEU A 86 -1.444 10.141 7.173 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.586 12.497 8.878 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.701 11.916 5.962 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.599 13.311 6.525 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.338 13.838 5.701 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.333 15.271 7.608 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.423 15.315 7.325 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.762 14.350 8.666 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.621 13.317 7.089 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.597 12.305 8.134 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.852 11.854 6.432 1.00 0.00 H new ATOM 1372 N GLN A 87 -4.216 10.841 7.934 1.00 0.00 N ATOM 1373 CA GLN A 87 -5.654 10.643 8.130 1.00 0.00 C ATOM 1374 C GLN A 87 -6.011 10.601 9.620 1.00 0.00 C ATOM 1375 O GLN A 87 -7.065 11.101 10.036 1.00 0.00 O ATOM 1376 CB GLN A 87 -6.083 9.330 7.476 1.00 0.00 C ATOM 1377 CG GLN A 87 -7.570 9.069 7.512 1.00 0.00 C ATOM 1378 CD GLN A 87 -7.938 7.698 6.990 1.00 0.00 C ATOM 1379 OE1 GLN A 87 -7.256 7.132 6.134 1.00 0.00 O ATOM 1380 NE2 GLN A 87 -9.007 7.155 7.494 1.00 0.00 N ATOM 0 H GLN A 87 -3.768 10.085 7.416 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.177 11.482 7.672 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.752 9.331 6.437 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -5.570 8.507 7.973 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -7.927 9.170 8.537 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -8.082 9.828 6.920 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -9.547 7.653 8.201 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -9.305 6.231 7.182 1.00 0.00 H new ATOM 1389 N GLN A 88 -5.122 10.027 10.415 1.00 0.00 N ATOM 1390 CA GLN A 88 -5.340 9.874 11.856 1.00 0.00 C ATOM 1391 C GLN A 88 -5.202 11.216 12.581 1.00 0.00 C ATOM 1392 O GLN A 88 -5.536 11.337 13.765 1.00 0.00 O ATOM 1393 CB GLN A 88 -4.330 8.893 12.447 1.00 0.00 C ATOM 1394 CG GLN A 88 -2.915 9.434 12.454 1.00 0.00 C ATOM 1395 CD GLN A 88 -1.900 8.469 12.978 1.00 0.00 C ATOM 1396 OE1 GLN A 88 -2.191 7.615 13.818 1.00 0.00 O ATOM 1397 NE2 GLN A 88 -0.699 8.604 12.517 1.00 0.00 N ATOM 0 H GLN A 88 -4.231 9.654 10.088 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.352 9.494 11.994 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -4.624 8.647 13.467 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -4.356 7.965 11.876 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.640 9.719 11.438 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.886 10.341 13.058 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -0.497 9.323 11.822 1.00 0.00 H new ATOM 0 HE22 GLN A 88 0.046 7.992 12.848 1.00 0.00 H new ATOM 1406 N GLY A 89 -4.694 12.201 11.886 1.00 0.00 N ATOM 1407 CA GLY A 89 -4.482 13.482 12.477 1.00 0.00 C ATOM 1408 C GLY A 89 -5.651 14.398 12.268 1.00 0.00 C ATOM 1409 O GLY A 89 -6.797 14.047 12.571 1.00 0.00 O ATOM 0 H GLY A 89 -4.421 12.132 10.906 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.301 13.363 13.545 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.586 13.934 12.051 1.00 0.00 H new ATOM 1413 N GLN A 90 -5.381 15.555 11.741 1.00 0.00 N ATOM 1414 CA GLN A 90 -6.405 16.551 11.518 1.00 0.00 C ATOM 1415 C GLN A 90 -6.716 16.675 10.036 1.00 0.00 C ATOM 1416 O GLN A 90 -7.800 17.110 9.652 1.00 0.00 O ATOM 1417 CB GLN A 90 -5.948 17.893 12.074 1.00 0.00 C ATOM 1418 CG GLN A 90 -5.644 17.865 13.566 1.00 0.00 C ATOM 1419 CD GLN A 90 -5.040 19.156 14.087 1.00 0.00 C ATOM 1420 OE1 GLN A 90 -5.381 20.268 13.490 1.00 0.00 O flip ATOM 1421 NE2 GLN A 90 -4.255 19.143 15.035 1.00 0.00 N flip ATOM 0 H GLN A 90 -4.446 15.842 11.451 1.00 0.00 H new ATOM 0 HA GLN A 90 -7.314 16.241 12.034 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -5.056 18.214 11.536 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -6.721 18.638 11.883 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -6.564 17.658 14.112 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -4.959 17.043 13.773 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -4.008 18.259 15.481 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -3.852 20.016 15.375 1.00 0.00 H new ATOM 1430 N GLY A 91 -5.782 16.272 9.215 1.00 0.00 N ATOM 1431 CA GLY A 91 -5.950 16.371 7.794 1.00 0.00 C ATOM 1432 C GLY A 91 -4.642 16.173 7.086 1.00 0.00 C ATOM 1433 O GLY A 91 -3.950 15.189 7.332 1.00 0.00 O ATOM 0 H GLY A 91 -4.893 15.870 9.511 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.668 15.624 7.456 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.362 17.348 7.539 1.00 0.00 H new ATOM 1437 N GLY A 92 -4.299 17.083 6.203 1.00 0.00 N ATOM 1438 CA GLY A 92 -3.051 17.014 5.492 1.00 0.00 C ATOM 1439 C GLY A 92 -3.169 16.276 4.207 1.00 0.00 C ATOM 1440 O GLY A 92 -2.479 16.594 3.275 1.00 0.00 O ATOM 0 H GLY A 92 -4.877 17.887 5.961 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -2.692 18.024 5.296 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.305 16.527 6.120 1.00 0.00 H new ATOM 1444 N GLN A 93 -4.089 15.342 4.145 1.00 0.00 N ATOM 1445 CA GLN A 93 -4.297 14.470 2.980 1.00 0.00 C ATOM 1446 C GLN A 93 -4.464 15.280 1.687 1.00 0.00 C ATOM 1447 O GLN A 93 -4.001 14.872 0.622 1.00 0.00 O ATOM 1448 CB GLN A 93 -5.531 13.590 3.191 1.00 0.00 C ATOM 1449 CG GLN A 93 -5.511 12.775 4.476 1.00 0.00 C ATOM 1450 CD GLN A 93 -6.749 11.918 4.628 1.00 0.00 C ATOM 1451 OE1 GLN A 93 -6.783 10.769 4.201 1.00 0.00 O ATOM 1452 NE2 GLN A 93 -7.780 12.467 5.201 1.00 0.00 N ATOM 0 H GLN A 93 -4.734 15.152 4.912 1.00 0.00 H new ATOM 0 HA GLN A 93 -3.410 13.844 2.879 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -6.418 14.223 3.191 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.625 12.909 2.345 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.627 12.138 4.487 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -5.430 13.448 5.330 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -7.721 13.425 5.546 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -8.647 11.939 5.305 1.00 0.00 H new ATOM 1461 N GLN A 94 -5.081 16.441 1.798 1.00 0.00 N ATOM 1462 CA GLN A 94 -5.307 17.291 0.640 1.00 0.00 C ATOM 1463 C GLN A 94 -4.020 18.005 0.204 1.00 0.00 C ATOM 1464 O GLN A 94 -3.771 18.174 -0.988 1.00 0.00 O ATOM 1465 CB GLN A 94 -6.385 18.330 0.915 1.00 0.00 C ATOM 1466 CG GLN A 94 -6.036 19.268 2.044 1.00 0.00 C ATOM 1467 CD GLN A 94 -6.936 20.475 2.108 1.00 0.00 C ATOM 1468 OE1 GLN A 94 -6.644 21.511 1.505 1.00 0.00 O ATOM 1469 NE2 GLN A 94 -8.027 20.369 2.811 1.00 0.00 N ATOM 0 H GLN A 94 -5.435 16.819 2.677 1.00 0.00 H new ATOM 0 HA GLN A 94 -5.639 16.636 -0.166 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.559 18.911 0.010 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -7.319 17.820 1.151 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -6.095 18.728 2.989 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.003 19.598 1.929 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -8.238 19.497 3.297 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -8.671 21.158 2.875 1.00 0.00 H new ATOM 1478 N GLN A 95 -3.200 18.415 1.167 1.00 0.00 N ATOM 1479 CA GLN A 95 -1.993 19.138 0.844 1.00 0.00 C ATOM 1480 C GLN A 95 -0.905 18.179 0.470 1.00 0.00 C ATOM 1481 O GLN A 95 -0.253 18.344 -0.545 1.00 0.00 O ATOM 1482 CB GLN A 95 -1.547 20.096 1.960 1.00 0.00 C ATOM 1483 CG GLN A 95 -1.244 19.470 3.294 1.00 0.00 C ATOM 1484 CD GLN A 95 -0.764 20.479 4.321 1.00 0.00 C ATOM 1485 OE1 GLN A 95 -1.142 21.653 4.286 1.00 0.00 O ATOM 1486 NE2 GLN A 95 0.076 20.046 5.224 1.00 0.00 N ATOM 0 H GLN A 95 -3.354 18.257 2.163 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.214 19.773 -0.014 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.657 20.626 1.621 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -2.328 20.843 2.102 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.139 18.974 3.669 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.483 18.700 3.165 1.00 0.00 H new ATOM 0 HE21 GLN A 95 0.367 19.068 5.223 1.00 0.00 H new ATOM 0 HE22 GLN A 95 0.441 20.686 5.930 1.00 0.00 H new ATOM 1495 N VAL A 96 -0.773 17.133 1.274 1.00 0.00 N ATOM 1496 CA VAL A 96 0.186 16.048 1.067 1.00 0.00 C ATOM 1497 C VAL A 96 -0.030 15.388 -0.293 1.00 0.00 C ATOM 1498 O VAL A 96 0.902 14.830 -0.861 1.00 0.00 O ATOM 1499 CB VAL A 96 0.099 14.984 2.222 1.00 0.00 C ATOM 1500 CG1 VAL A 96 1.008 13.796 1.995 1.00 0.00 C ATOM 1501 CG2 VAL A 96 0.409 15.621 3.563 1.00 0.00 C ATOM 0 H VAL A 96 -1.343 17.009 2.111 1.00 0.00 H new ATOM 0 HA VAL A 96 1.187 16.479 1.084 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.926 14.613 2.222 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.905 13.096 2.824 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.733 13.300 1.064 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.042 14.136 1.933 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.343 14.867 4.348 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.416 16.038 3.544 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.309 16.416 3.763 1.00 0.00 H new ATOM 1511 N GLN A 97 -1.254 15.519 -0.836 1.00 0.00 N ATOM 1512 CA GLN A 97 -1.616 14.934 -2.139 1.00 0.00 C ATOM 1513 C GLN A 97 -0.600 15.298 -3.228 1.00 0.00 C ATOM 1514 O GLN A 97 -0.191 14.447 -4.013 1.00 0.00 O ATOM 1515 CB GLN A 97 -2.989 15.403 -2.579 1.00 0.00 C ATOM 1516 CG GLN A 97 -3.474 14.731 -3.857 1.00 0.00 C ATOM 1517 CD GLN A 97 -4.826 15.232 -4.299 1.00 0.00 C ATOM 1518 OE1 GLN A 97 -5.641 15.661 -3.483 1.00 0.00 O ATOM 1519 NE2 GLN A 97 -5.090 15.179 -5.575 1.00 0.00 N ATOM 0 H GLN A 97 -2.015 16.030 -0.387 1.00 0.00 H new ATOM 0 HA GLN A 97 -1.619 13.852 -2.006 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.705 15.209 -1.780 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -2.965 16.482 -2.731 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -2.749 14.904 -4.652 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -3.523 13.653 -3.700 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -4.392 14.818 -6.226 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -5.994 15.499 -5.922 1.00 0.00 H new ATOM 1528 N GLN A 98 -0.141 16.543 -3.206 1.00 0.00 N ATOM 1529 CA GLN A 98 0.778 17.051 -4.220 1.00 0.00 C ATOM 1530 C GLN A 98 2.151 16.399 -4.111 1.00 0.00 C ATOM 1531 O GLN A 98 2.940 16.435 -5.046 1.00 0.00 O ATOM 1532 CB GLN A 98 0.922 18.566 -4.115 1.00 0.00 C ATOM 1533 CG GLN A 98 1.605 19.035 -2.851 1.00 0.00 C ATOM 1534 CD GLN A 98 1.646 20.531 -2.731 1.00 0.00 C ATOM 1535 OE1 GLN A 98 2.586 21.183 -3.187 1.00 0.00 O ATOM 1536 NE2 GLN A 98 0.640 21.087 -2.122 1.00 0.00 N ATOM 0 H GLN A 98 -0.392 17.226 -2.491 1.00 0.00 H new ATOM 0 HA GLN A 98 0.353 16.798 -5.191 1.00 0.00 H new ATOM 0 HB2 GLN A 98 1.486 18.927 -4.975 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.068 19.019 -4.170 1.00 0.00 H new ATOM 0 HG2 GLN A 98 1.085 18.620 -1.987 1.00 0.00 H new ATOM 0 HG3 GLN A 98 2.623 18.645 -2.828 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -0.119 20.510 -1.759 1.00 0.00 H new ATOM 0 HE22 GLN A 98 0.610 22.100 -2.008 1.00 0.00 H new ATOM 1545 N MET A 99 2.434 15.812 -2.984 1.00 0.00 N ATOM 1546 CA MET A 99 3.720 15.214 -2.771 1.00 0.00 C ATOM 1547 C MET A 99 3.588 13.743 -2.924 1.00 0.00 C ATOM 1548 O MET A 99 4.335 13.128 -3.658 1.00 0.00 O ATOM 1549 CB MET A 99 4.220 15.550 -1.395 1.00 0.00 C ATOM 1550 CG MET A 99 5.724 15.479 -1.238 1.00 0.00 C ATOM 1551 SD MET A 99 6.614 16.659 -2.273 1.00 0.00 S ATOM 1552 CE MET A 99 8.301 16.329 -1.755 1.00 0.00 C ATOM 0 H MET A 99 1.790 15.735 -2.197 1.00 0.00 H new ATOM 0 HA MET A 99 4.435 15.597 -3.499 1.00 0.00 H new ATOM 0 HB2 MET A 99 3.888 16.556 -1.137 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.760 14.869 -0.679 1.00 0.00 H new ATOM 0 HG2 MET A 99 5.981 15.658 -0.194 1.00 0.00 H new ATOM 0 HG3 MET A 99 6.059 14.471 -1.480 1.00 0.00 H new ATOM 0 HE1 MET A 99 8.983 16.979 -2.302 1.00 0.00 H new ATOM 0 HE2 MET A 99 8.397 16.520 -0.686 1.00 0.00 H new ATOM 0 HE3 MET A 99 8.548 15.288 -1.961 1.00 0.00 H new ATOM 1562 N VAL A 100 2.598 13.187 -2.269 1.00 0.00 N ATOM 1563 CA VAL A 100 2.347 11.752 -2.330 1.00 0.00 C ATOM 1564 C VAL A 100 2.055 11.282 -3.775 1.00 0.00 C ATOM 1565 O VAL A 100 2.285 10.132 -4.112 1.00 0.00 O ATOM 1566 CB VAL A 100 1.242 11.277 -1.331 1.00 0.00 C ATOM 1567 CG1 VAL A 100 -0.106 11.860 -1.660 1.00 0.00 C ATOM 1568 CG2 VAL A 100 1.171 9.768 -1.270 1.00 0.00 C ATOM 0 H VAL A 100 1.944 13.704 -1.681 1.00 0.00 H new ATOM 0 HA VAL A 100 3.270 11.271 -2.007 1.00 0.00 H new ATOM 0 HB VAL A 100 1.526 11.647 -0.346 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.842 11.503 -0.940 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -0.053 12.948 -1.615 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -0.400 11.552 -2.663 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.394 9.468 -0.567 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.937 9.374 -2.259 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.131 9.372 -0.940 1.00 0.00 H new ATOM 1578 N LYS A 101 1.582 12.188 -4.636 1.00 0.00 N ATOM 1579 CA LYS A 101 1.396 11.858 -6.050 1.00 0.00 C ATOM 1580 C LYS A 101 2.725 11.437 -6.718 1.00 0.00 C ATOM 1581 O LYS A 101 2.725 10.705 -7.694 1.00 0.00 O ATOM 1582 CB LYS A 101 0.695 13.009 -6.816 1.00 0.00 C ATOM 1583 CG LYS A 101 1.446 14.343 -6.901 1.00 0.00 C ATOM 1584 CD LYS A 101 2.557 14.330 -7.955 1.00 0.00 C ATOM 1585 CE LYS A 101 3.298 15.656 -8.055 1.00 0.00 C ATOM 1586 NZ LYS A 101 2.427 16.760 -8.486 1.00 0.00 N ATOM 0 H LYS A 101 1.324 13.142 -4.383 1.00 0.00 H new ATOM 0 HA LYS A 101 0.732 10.995 -6.099 1.00 0.00 H new ATOM 0 HB2 LYS A 101 0.494 12.668 -7.831 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.270 13.192 -6.344 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.739 15.139 -7.134 1.00 0.00 H new ATOM 0 HG3 LYS A 101 1.877 14.575 -5.927 1.00 0.00 H new ATOM 0 HD2 LYS A 101 3.268 13.540 -7.715 1.00 0.00 H new ATOM 0 HD3 LYS A 101 2.126 14.087 -8.926 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.733 15.899 -7.086 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.124 15.554 -8.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 3.004 17.606 -8.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 1.926 16.488 -9.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 1.734 16.968 -7.739 1.00 0.00 H new ATOM 1600 N LYS A 102 3.856 11.896 -6.163 1.00 0.00 N ATOM 1601 CA LYS A 102 5.175 11.519 -6.660 1.00 0.00 C ATOM 1602 C LYS A 102 5.400 10.035 -6.470 1.00 0.00 C ATOM 1603 O LYS A 102 6.084 9.399 -7.261 1.00 0.00 O ATOM 1604 CB LYS A 102 6.248 12.284 -5.927 1.00 0.00 C ATOM 1605 CG LYS A 102 6.277 13.773 -6.223 1.00 0.00 C ATOM 1606 CD LYS A 102 7.102 14.507 -5.182 1.00 0.00 C ATOM 1607 CE LYS A 102 8.507 13.942 -5.047 1.00 0.00 C ATOM 1608 NZ LYS A 102 9.340 14.198 -6.236 1.00 0.00 N ATOM 0 H LYS A 102 3.877 12.532 -5.366 1.00 0.00 H new ATOM 0 HA LYS A 102 5.224 11.759 -7.722 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.109 12.143 -4.855 1.00 0.00 H new ATOM 0 HB3 LYS A 102 7.218 11.857 -6.181 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.696 13.944 -7.214 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.261 14.167 -6.234 1.00 0.00 H new ATOM 0 HD2 LYS A 102 7.162 15.562 -5.449 1.00 0.00 H new ATOM 0 HD3 LYS A 102 6.597 14.451 -4.218 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.987 14.379 -4.171 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.447 12.867 -4.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 10.286 13.792 -6.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.899 13.759 -7.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 9.423 15.224 -6.388 1.00 0.00 H new ATOM 1622 N ALA A 103 4.787 9.479 -5.429 1.00 0.00 N ATOM 1623 CA ALA A 103 4.875 8.033 -5.168 1.00 0.00 C ATOM 1624 C ALA A 103 4.249 7.260 -6.314 1.00 0.00 C ATOM 1625 O ALA A 103 4.672 6.178 -6.650 1.00 0.00 O ATOM 1626 CB ALA A 103 4.189 7.657 -3.866 1.00 0.00 C ATOM 0 H ALA A 103 4.226 9.997 -4.753 1.00 0.00 H new ATOM 0 HA ALA A 103 5.931 7.775 -5.082 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.274 6.582 -3.707 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.664 8.185 -3.039 1.00 0.00 H new ATOM 0 HB3 ALA A 103 3.136 7.934 -3.916 1.00 0.00 H new ATOM 1632 N GLN A 104 3.290 7.874 -6.961 1.00 0.00 N ATOM 1633 CA GLN A 104 2.588 7.250 -8.054 1.00 0.00 C ATOM 1634 C GLN A 104 3.479 7.199 -9.290 1.00 0.00 C ATOM 1635 O GLN A 104 3.253 6.421 -10.190 1.00 0.00 O ATOM 1636 CB GLN A 104 1.308 8.014 -8.349 1.00 0.00 C ATOM 1637 CG GLN A 104 0.410 8.172 -7.134 1.00 0.00 C ATOM 1638 CD GLN A 104 -0.853 8.953 -7.415 1.00 0.00 C ATOM 1639 OE1 GLN A 104 -0.790 9.889 -8.332 1.00 0.00 O flip ATOM 1640 NE2 GLN A 104 -1.884 8.719 -6.784 1.00 0.00 N flip ATOM 0 H GLN A 104 2.974 8.820 -6.745 1.00 0.00 H new ATOM 0 HA GLN A 104 2.329 6.229 -7.775 1.00 0.00 H new ATOM 0 HB2 GLN A 104 1.563 9.001 -8.735 1.00 0.00 H new ATOM 0 HB3 GLN A 104 0.757 7.497 -9.135 1.00 0.00 H new ATOM 0 HG2 GLN A 104 0.141 7.184 -6.760 1.00 0.00 H new ATOM 0 HG3 GLN A 104 0.968 8.672 -6.342 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -1.894 7.983 -6.078 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -2.728 9.261 -6.967 1.00 0.00 H new ATOM 1649 N MET A 105 4.510 8.020 -9.297 1.00 0.00 N ATOM 1650 CA MET A 105 5.454 8.089 -10.407 1.00 0.00 C ATOM 1651 C MET A 105 6.610 7.153 -10.154 1.00 0.00 C ATOM 1652 O MET A 105 7.346 6.795 -11.074 1.00 0.00 O ATOM 1653 CB MET A 105 6.020 9.471 -10.517 1.00 0.00 C ATOM 1654 CG MET A 105 4.976 10.563 -10.560 1.00 0.00 C ATOM 1655 SD MET A 105 5.684 12.219 -10.730 1.00 0.00 S ATOM 1656 CE MET A 105 4.193 13.180 -10.980 1.00 0.00 C ATOM 0 H MET A 105 4.722 8.662 -8.533 1.00 0.00 H new ATOM 0 HA MET A 105 4.924 7.817 -11.319 1.00 0.00 H new ATOM 0 HB2 MET A 105 6.682 9.649 -9.670 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.631 9.531 -11.418 1.00 0.00 H new ATOM 0 HG2 MET A 105 4.299 10.377 -11.394 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.379 10.522 -9.649 1.00 0.00 H new ATOM 0 HE1 MET A 105 4.367 14.210 -10.667 1.00 0.00 H new ATOM 0 HE2 MET A 105 3.921 13.162 -12.035 1.00 0.00 H new ATOM 0 HE3 MET A 105 3.382 12.754 -10.390 1.00 0.00 H new ATOM 1666 N LEU A 106 6.764 6.763 -8.891 1.00 0.00 N ATOM 1667 CA LEU A 106 7.849 5.882 -8.431 1.00 0.00 C ATOM 1668 C LEU A 106 8.024 4.637 -9.305 1.00 0.00 C ATOM 1669 O LEU A 106 9.143 4.348 -9.709 1.00 0.00 O ATOM 1670 CB LEU A 106 7.687 5.488 -6.949 1.00 0.00 C ATOM 1671 CG LEU A 106 8.703 6.075 -5.952 1.00 0.00 C ATOM 1672 CD1 LEU A 106 10.087 5.507 -6.212 1.00 0.00 C ATOM 1673 CD2 LEU A 106 8.735 7.599 -6.021 1.00 0.00 C ATOM 0 H LEU A 106 6.133 7.051 -8.143 1.00 0.00 H new ATOM 0 HA LEU A 106 8.761 6.471 -8.528 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.688 5.784 -6.628 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.735 4.401 -6.881 1.00 0.00 H new ATOM 0 HG LEU A 106 8.386 5.792 -4.948 1.00 0.00 H new ATOM 0 HD11 LEU A 106 10.794 5.931 -5.499 1.00 0.00 H new ATOM 0 HD12 LEU A 106 10.063 4.423 -6.098 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.399 5.758 -7.226 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.462 7.980 -5.305 1.00 0.00 H new ATOM 0 HD22 LEU A 106 9.017 7.912 -7.026 1.00 0.00 H new ATOM 0 HD23 LEU A 106 7.748 7.995 -5.782 1.00 0.00 H new ATOM 1685 N PRO A 107 6.943 3.886 -9.643 1.00 0.00 N ATOM 1686 CA PRO A 107 7.066 2.722 -10.498 1.00 0.00 C ATOM 1687 C PRO A 107 7.597 3.048 -11.891 1.00 0.00 C ATOM 1688 O PRO A 107 8.218 2.217 -12.515 1.00 0.00 O ATOM 1689 CB PRO A 107 5.669 2.134 -10.571 1.00 0.00 C ATOM 1690 CG PRO A 107 4.912 2.744 -9.459 1.00 0.00 C ATOM 1691 CD PRO A 107 5.553 4.065 -9.179 1.00 0.00 C ATOM 0 HA PRO A 107 7.795 2.024 -10.086 1.00 0.00 H new ATOM 0 HB2 PRO A 107 5.201 2.357 -11.530 1.00 0.00 H new ATOM 0 HB3 PRO A 107 5.697 1.049 -10.475 1.00 0.00 H new ATOM 0 HG2 PRO A 107 3.864 2.872 -9.728 1.00 0.00 H new ATOM 0 HG3 PRO A 107 4.939 2.106 -8.576 1.00 0.00 H new ATOM 0 HD2 PRO A 107 5.054 4.873 -9.713 1.00 0.00 H new ATOM 0 HD3 PRO A 107 5.514 4.312 -8.118 1.00 0.00 H new ATOM 1699 N ASN A 108 7.397 4.249 -12.359 1.00 0.00 N ATOM 1700 CA ASN A 108 7.920 4.613 -13.639 1.00 0.00 C ATOM 1701 C ASN A 108 9.322 5.173 -13.535 1.00 0.00 C ATOM 1702 O ASN A 108 10.173 4.875 -14.356 1.00 0.00 O ATOM 1703 CB ASN A 108 6.980 5.549 -14.375 1.00 0.00 C ATOM 1704 CG ASN A 108 5.987 4.823 -15.274 1.00 0.00 C ATOM 1705 OD1 ASN A 108 6.268 4.570 -16.460 1.00 0.00 O ATOM 1706 ND2 ASN A 108 4.846 4.489 -14.756 1.00 0.00 N ATOM 0 H ASN A 108 6.880 4.984 -11.876 1.00 0.00 H new ATOM 0 HA ASN A 108 7.993 3.703 -14.234 1.00 0.00 H new ATOM 0 HB2 ASN A 108 6.431 6.147 -13.648 1.00 0.00 H new ATOM 0 HB3 ASN A 108 7.567 6.241 -14.979 1.00 0.00 H new ATOM 0 HD21 ASN A 108 4.150 4.005 -15.324 1.00 0.00 H new ATOM 0 HD22 ASN A 108 4.644 4.710 -13.781 1.00 0.00 H new ATOM 1713 N GLN A 109 9.574 5.930 -12.491 1.00 0.00 N ATOM 1714 CA GLN A 109 10.879 6.554 -12.276 1.00 0.00 C ATOM 1715 C GLN A 109 11.930 5.552 -11.811 1.00 0.00 C ATOM 1716 O GLN A 109 13.092 5.669 -12.153 1.00 0.00 O ATOM 1717 CB GLN A 109 10.761 7.692 -11.276 1.00 0.00 C ATOM 1718 CG GLN A 109 9.872 8.825 -11.751 1.00 0.00 C ATOM 1719 CD GLN A 109 9.691 9.915 -10.718 1.00 0.00 C ATOM 1720 OE1 GLN A 109 9.701 9.554 -9.455 1.00 0.00 O flip ATOM 1721 NE2 GLN A 109 9.517 11.083 -11.065 1.00 0.00 N flip ATOM 0 H GLN A 109 8.889 6.136 -11.764 1.00 0.00 H new ATOM 0 HA GLN A 109 11.210 6.948 -13.237 1.00 0.00 H new ATOM 0 HB2 GLN A 109 10.368 7.301 -10.338 1.00 0.00 H new ATOM 0 HB3 GLN A 109 11.756 8.085 -11.066 1.00 0.00 H new ATOM 0 HG2 GLN A 109 10.299 9.258 -12.656 1.00 0.00 H new ATOM 0 HG3 GLN A 109 8.895 8.423 -12.020 1.00 0.00 H new ATOM 0 HE21 GLN A 109 9.516 11.326 -12.056 1.00 0.00 H new ATOM 0 HE22 GLN A 109 9.374 11.808 -10.362 1.00 0.00 H new ATOM 1730 N CYS A 110 11.517 4.573 -11.035 1.00 0.00 N ATOM 1731 CA CYS A 110 12.442 3.556 -10.519 1.00 0.00 C ATOM 1732 C CYS A 110 12.436 2.349 -11.463 1.00 0.00 C ATOM 1733 O CYS A 110 13.181 1.386 -11.277 1.00 0.00 O ATOM 1734 CB CYS A 110 12.004 3.147 -9.098 1.00 0.00 C ATOM 1735 SG CYS A 110 13.223 2.196 -8.095 1.00 0.00 S ATOM 0 H CYS A 110 10.548 4.450 -10.741 1.00 0.00 H new ATOM 0 HA CYS A 110 13.456 3.954 -10.468 1.00 0.00 H new ATOM 0 HB2 CYS A 110 11.744 4.052 -8.549 1.00 0.00 H new ATOM 0 HB3 CYS A 110 11.094 2.552 -9.181 1.00 0.00 H new ATOM 1740 N ASN A 111 11.582 2.443 -12.486 1.00 0.00 N ATOM 1741 CA ASN A 111 11.384 1.409 -13.512 1.00 0.00 C ATOM 1742 C ASN A 111 10.982 0.088 -12.879 1.00 0.00 C ATOM 1743 O ASN A 111 11.733 -0.903 -12.844 1.00 0.00 O ATOM 1744 CB ASN A 111 12.581 1.256 -14.473 1.00 0.00 C ATOM 1745 CG ASN A 111 12.266 0.344 -15.659 1.00 0.00 C ATOM 1746 OD1 ASN A 111 11.115 0.250 -16.104 1.00 0.00 O ATOM 1747 ND2 ASN A 111 13.265 -0.306 -16.190 1.00 0.00 N ATOM 0 H ASN A 111 10.992 3.262 -12.630 1.00 0.00 H new ATOM 0 HA ASN A 111 10.560 1.748 -14.139 1.00 0.00 H new ATOM 0 HB2 ASN A 111 12.874 2.239 -14.842 1.00 0.00 H new ATOM 0 HB3 ASN A 111 13.433 0.854 -13.926 1.00 0.00 H new ATOM 0 HD21 ASN A 111 13.109 -0.913 -16.995 1.00 0.00 H new ATOM 0 HD22 ASN A 111 14.202 -0.208 -15.800 1.00 0.00 H new ATOM 1754 N LEU A 112 9.847 0.145 -12.270 1.00 0.00 N ATOM 1755 CA LEU A 112 9.230 -0.970 -11.616 1.00 0.00 C ATOM 1756 C LEU A 112 8.143 -1.557 -12.526 1.00 0.00 C ATOM 1757 O LEU A 112 7.599 -0.853 -13.389 1.00 0.00 O ATOM 1758 CB LEU A 112 8.651 -0.514 -10.265 1.00 0.00 C ATOM 1759 CG LEU A 112 9.637 0.268 -9.368 1.00 0.00 C ATOM 1760 CD1 LEU A 112 9.018 0.683 -8.036 1.00 0.00 C ATOM 1761 CD2 LEU A 112 10.908 -0.522 -9.147 1.00 0.00 C ATOM 0 H LEU A 112 9.297 1.002 -12.209 1.00 0.00 H new ATOM 0 HA LEU A 112 9.967 -1.750 -11.422 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.778 0.111 -10.452 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.304 -1.392 -9.720 1.00 0.00 H new ATOM 0 HG LEU A 112 9.884 1.187 -9.900 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.755 1.229 -7.447 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.155 1.322 -8.220 1.00 0.00 H new ATOM 0 HD13 LEU A 112 8.702 -0.205 -7.489 1.00 0.00 H new ATOM 0 HD21 LEU A 112 11.586 0.049 -8.513 1.00 0.00 H new ATOM 0 HD22 LEU A 112 10.669 -1.468 -8.662 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.387 -0.717 -10.107 1.00 0.00 H new ATOM 1773 N GLN A 113 7.801 -2.816 -12.295 1.00 0.00 N ATOM 1774 CA GLN A 113 6.874 -3.611 -13.142 1.00 0.00 C ATOM 1775 C GLN A 113 5.417 -3.278 -12.896 1.00 0.00 C ATOM 1776 O GLN A 113 4.529 -4.100 -13.114 1.00 0.00 O ATOM 1777 CB GLN A 113 7.093 -5.087 -12.864 1.00 0.00 C ATOM 1778 CG GLN A 113 8.510 -5.527 -13.084 1.00 0.00 C ATOM 1779 CD GLN A 113 8.737 -7.002 -12.815 1.00 0.00 C ATOM 1780 OE1 GLN A 113 9.591 -7.633 -13.445 1.00 0.00 O ATOM 1781 NE2 GLN A 113 7.994 -7.566 -11.895 1.00 0.00 N ATOM 0 H GLN A 113 8.160 -3.341 -11.498 1.00 0.00 H new ATOM 0 HA GLN A 113 7.094 -3.364 -14.181 1.00 0.00 H new ATOM 0 HB2 GLN A 113 6.809 -5.302 -11.834 1.00 0.00 H new ATOM 0 HB3 GLN A 113 6.434 -5.672 -13.505 1.00 0.00 H new ATOM 0 HG2 GLN A 113 8.795 -5.306 -14.113 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.167 -4.943 -12.439 1.00 0.00 H new ATOM 0 HE21 GLN A 113 7.298 -7.015 -11.393 1.00 0.00 H new ATOM 0 HE22 GLN A 113 8.112 -8.556 -11.680 1.00 0.00 H new ATOM 1790 N CYS A 114 5.172 -2.081 -12.554 1.00 0.00 N ATOM 1791 CA CYS A 114 3.878 -1.651 -12.172 1.00 0.00 C ATOM 1792 C CYS A 114 3.737 -0.195 -12.535 1.00 0.00 C ATOM 1793 O CYS A 114 4.724 0.444 -12.888 1.00 0.00 O ATOM 1794 CB CYS A 114 3.758 -1.803 -10.671 1.00 0.00 C ATOM 1795 SG CYS A 114 3.680 -3.507 -9.996 1.00 0.00 S ATOM 0 H CYS A 114 5.879 -1.346 -12.528 1.00 0.00 H new ATOM 0 HA CYS A 114 3.107 -2.236 -12.673 1.00 0.00 H new ATOM 0 HB2 CYS A 114 4.608 -1.298 -10.213 1.00 0.00 H new ATOM 0 HB3 CYS A 114 2.862 -1.273 -10.350 1.00 0.00 H new ATOM 1800 N SER A 115 2.543 0.316 -12.486 1.00 0.00 N ATOM 1801 CA SER A 115 2.283 1.715 -12.707 1.00 0.00 C ATOM 1802 C SER A 115 1.051 2.093 -11.910 1.00 0.00 C ATOM 1803 O SER A 115 0.074 1.338 -11.897 1.00 0.00 O ATOM 1804 CB SER A 115 2.103 2.008 -14.204 1.00 0.00 C ATOM 1805 OG SER A 115 3.298 1.701 -14.925 1.00 0.00 O ATOM 0 H SER A 115 1.706 -0.233 -12.289 1.00 0.00 H new ATOM 0 HA SER A 115 3.130 2.315 -12.374 1.00 0.00 H new ATOM 0 HB2 SER A 115 1.274 1.421 -14.598 1.00 0.00 H new ATOM 0 HB3 SER A 115 1.846 3.058 -14.346 1.00 0.00 H new ATOM 0 HG SER A 115 3.981 1.373 -14.303 1.00 0.00 H new ATOM 1811 N ILE A 116 1.107 3.195 -11.201 1.00 0.00 N ATOM 1812 CA ILE A 116 -0.009 3.602 -10.374 1.00 0.00 C ATOM 1813 C ILE A 116 -0.985 4.412 -11.211 1.00 0.00 C ATOM 1814 O ILE A 116 -0.723 5.620 -11.468 1.00 0.00 O ATOM 1815 CB ILE A 116 0.426 4.411 -9.109 1.00 0.00 C ATOM 1816 CG1 ILE A 116 1.456 3.632 -8.271 1.00 0.00 C ATOM 1817 CG2 ILE A 116 -0.788 4.753 -8.245 1.00 0.00 C ATOM 1818 CD1 ILE A 116 0.969 2.295 -7.747 1.00 0.00 C ATOM 1819 OXT ILE A 116 -2.006 3.851 -11.642 1.00 0.00 O ATOM 0 H ILE A 116 1.909 3.825 -11.178 1.00 0.00 H new ATOM 0 HA ILE A 116 -0.489 2.695 -10.005 1.00 0.00 H new ATOM 0 HB ILE A 116 0.891 5.334 -9.455 1.00 0.00 H new ATOM 0 HG12 ILE A 116 2.346 3.466 -8.878 1.00 0.00 H new ATOM 0 HG13 ILE A 116 1.757 4.250 -7.425 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -0.465 5.316 -7.370 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -1.489 5.354 -8.824 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -1.277 3.833 -7.924 1.00 0.00 H new ATOM 0 HD11 ILE A 116 1.762 1.820 -7.169 1.00 0.00 H new ATOM 0 HD12 ILE A 116 0.098 2.449 -7.110 1.00 0.00 H new ATOM 0 HD13 ILE A 116 0.696 1.653 -8.585 1.00 0.00 H new