USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=23 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 87 GLN :FLIP amide:sc=-1.74e-05 F(o=-2.6,f=-1.6) USER MOD Set 1.2: A 93 GLN :FLIP amide:sc= -1.56 X(o=-1.6,f=-1.6) USER MOD Set 2.1: A 37 THR OG1 : rot -76:sc= 1.15 USER MOD Set 2.2: A 85 GLN : amide:sc= -0.044 K(o=1.1,f=0.23) USER MOD Set 3.1: A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 88 GLN : amide:sc= -0.0992 K(o=-0.099,f=-0.66) USER MOD Set 4.1: A 68 LYS NZ :NH3+ -172:sc= 1.28 (180deg=-0.0288) USER MOD Set 4.2: A 113 GLN : amide:sc= 0.196 K(o=1.5,f=-11!) USER MOD Set 5.1: A 31 HIS :FLIP no HD1:sc= -0.0541 F(o=-6.2,f=-5.6) USER MOD Set 5.2: A 35 HIS :FLIP no HD1:sc= -5.56! C(o=-6!,f=-5.6!) USER MOD Set 6.1: A 33 GLN :FLIP amide:sc= -0.213 F(o=-1.7!,f=-0.1) USER MOD Set 6.2: A 81 GLN : amide:sc= 0.112 K(o=-0.1,f=-0.86) USER MOD Single : A 4 THR OG1 : rot 150:sc= 1.01 USER MOD Single : A 5 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0685) USER MOD Single : A 6 SER OG : rot -5:sc= 0.994 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= -2.05! C(o=-2!,f=-11!) USER MOD Single : A 28 GLN :FLIP amide:sc= -0.406 F(o=-2.5,f=-0.41) USER MOD Single : A 30 ASN : amide:sc=-0.00767 X(o=-0.0077,f=0) USER MOD Single : A 34 MET CE :methyl -166:sc= -0.0523 (180deg=-0.312) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= -2.14 X(o=-2.1,f=-2.2!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 62 GLN : amide:sc= -0.0748 X(o=-0.075,f=-0.045) USER MOD Single : A 64 GLN :FLIP amide:sc= -1.13 F(o=-2.6!,f=-1.1) USER MOD Single : A 69 GLN : amide:sc= -0.479 X(o=-0.48,f=0) USER MOD Single : A 71 GLN : amide:sc= -2.81 K(o=-2.8,f=-4.8!) USER MOD Single : A 76 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0309) USER MOD Single : A 77 GLN : amide:sc= 0.00489 X(o=0.0049,f=0) USER MOD Single : A 83 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 90 GLN :FLIP amide:sc= 0 F(o=-0.62,f=0) USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 GLN : amide:sc= 0.00714 X(o=0.0071,f=0) USER MOD Single : A 97 GLN : amide:sc= 0 K(o=0,f=-0.71) 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+ -164:sc= -0.0247 (180deg=-0.282) USER MOD Single : A 102 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00814) USER MOD Single : A 104 GLN :FLIP amide:sc= 0 F(o=-0.9,f=0) USER MOD Single : A 105 MET CE :methyl 171:sc= -0.656 (180deg=-0.806) USER MOD Single : A 108 ASN : amide:sc= -0.0136 K(o=-0.014,f=-0.59) USER MOD Single : A 109 GLN :FLIP amide:sc= 0 F(o=-0.82,f=0) USER MOD Single : A 111 ASN : amide:sc= 0.0162 X(o=0.016,f=0) USER MOD Single : A 115 SER OG : rot -3:sc= 0.318 USER MOD ----------------------------------------------------------------- ATOM 34 N CYS A 3 1.456 -19.989 -7.448 1.00 0.00 N ATOM 35 CA CYS A 3 0.342 -20.694 -7.994 1.00 0.00 C ATOM 36 C CYS A 3 0.154 -20.268 -9.422 1.00 0.00 C ATOM 37 O CYS A 3 0.418 -19.117 -9.775 1.00 0.00 O ATOM 38 CB CYS A 3 -0.932 -20.452 -7.189 1.00 0.00 C ATOM 39 SG CYS A 3 -0.829 -20.912 -5.409 1.00 0.00 S ATOM 0 HA CYS A 3 0.547 -21.764 -7.948 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -1.194 -19.396 -7.261 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -1.745 -21.014 -7.647 1.00 0.00 H new ATOM 44 N THR A 4 -0.247 -21.180 -10.236 1.00 0.00 N ATOM 45 CA THR A 4 -0.439 -20.928 -11.631 1.00 0.00 C ATOM 46 C THR A 4 -1.813 -20.308 -11.888 1.00 0.00 C ATOM 47 O THR A 4 -2.756 -20.498 -11.096 1.00 0.00 O ATOM 48 CB THR A 4 -0.304 -22.236 -12.414 1.00 0.00 C ATOM 49 OG1 THR A 4 -1.231 -23.204 -11.890 1.00 0.00 O ATOM 50 CG2 THR A 4 1.110 -22.786 -12.299 1.00 0.00 C ATOM 0 H THR A 4 -0.455 -22.138 -9.953 1.00 0.00 H new ATOM 0 HA THR A 4 0.323 -20.223 -11.964 1.00 0.00 H new ATOM 0 HB THR A 4 -0.521 -22.038 -13.464 1.00 0.00 H new ATOM 0 HG1 THR A 4 -1.508 -23.813 -12.606 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.186 -23.716 -12.862 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.817 -22.060 -12.701 1.00 0.00 H new ATOM 0 HG23 THR A 4 1.342 -22.977 -11.251 1.00 0.00 H new ATOM 58 N LYS A 5 -1.935 -19.575 -12.971 1.00 0.00 N ATOM 59 CA LYS A 5 -3.187 -18.955 -13.330 1.00 0.00 C ATOM 60 C LYS A 5 -4.042 -19.934 -14.120 1.00 0.00 C ATOM 61 O LYS A 5 -4.177 -19.810 -15.350 1.00 0.00 O ATOM 62 CB LYS A 5 -2.972 -17.696 -14.175 1.00 0.00 C ATOM 63 CG LYS A 5 -2.080 -16.617 -13.566 1.00 0.00 C ATOM 64 CD LYS A 5 -2.570 -16.168 -12.201 1.00 0.00 C ATOM 65 CE LYS A 5 -1.837 -14.921 -11.723 1.00 0.00 C ATOM 66 NZ LYS A 5 -0.369 -15.090 -11.703 1.00 0.00 N ATOM 0 H LYS A 5 -1.173 -19.393 -13.624 1.00 0.00 H new ATOM 0 HA LYS A 5 -3.689 -18.672 -12.405 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -2.543 -17.995 -15.131 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -3.946 -17.255 -14.386 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -1.062 -16.997 -13.477 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -2.042 -15.759 -14.237 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.640 -15.966 -12.246 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.428 -16.973 -11.480 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -2.093 -14.084 -12.373 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.182 -14.664 -10.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.070 -14.258 -11.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -0.125 -15.942 -11.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.018 -15.189 -12.677 1.00 0.00 H new ATOM 80 N SER A 6 -4.523 -20.957 -13.450 1.00 0.00 N ATOM 81 CA SER A 6 -5.377 -21.947 -14.039 1.00 0.00 C ATOM 82 C SER A 6 -6.143 -22.630 -12.936 1.00 0.00 C ATOM 83 O SER A 6 -5.844 -22.420 -11.756 1.00 0.00 O ATOM 84 CB SER A 6 -4.551 -22.979 -14.819 1.00 0.00 C ATOM 85 OG SER A 6 -3.885 -22.384 -15.918 1.00 0.00 O ATOM 0 H SER A 6 -4.324 -21.121 -12.463 1.00 0.00 H new ATOM 0 HA SER A 6 -6.064 -21.468 -14.737 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.820 -23.439 -14.154 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.204 -23.776 -15.175 1.00 0.00 H new ATOM 0 HG SER A 6 -4.156 -21.445 -15.995 1.00 0.00 H new ATOM 91 N ILE A 7 -7.140 -23.394 -13.303 1.00 0.00 N ATOM 92 CA ILE A 7 -7.923 -24.159 -12.367 1.00 0.00 C ATOM 93 C ILE A 7 -7.974 -25.608 -12.837 1.00 0.00 C ATOM 94 O ILE A 7 -8.408 -25.875 -13.957 1.00 0.00 O ATOM 95 CB ILE A 7 -9.357 -23.591 -12.238 1.00 0.00 C ATOM 96 CG1 ILE A 7 -9.299 -22.157 -11.719 1.00 0.00 C ATOM 97 CG2 ILE A 7 -10.209 -24.463 -11.316 1.00 0.00 C ATOM 98 CD1 ILE A 7 -10.630 -21.474 -11.648 1.00 0.00 C ATOM 0 H ILE A 7 -7.435 -23.504 -14.273 1.00 0.00 H new ATOM 0 HA ILE A 7 -7.455 -24.100 -11.384 1.00 0.00 H new ATOM 0 HB ILE A 7 -9.823 -23.593 -13.223 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -8.852 -22.160 -10.725 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -8.639 -21.576 -12.363 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -11.212 -24.043 -11.242 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -10.268 -25.473 -11.722 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -9.756 -24.496 -10.325 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -10.499 -20.460 -11.269 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -11.073 -21.435 -12.643 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -11.288 -22.029 -10.979 1.00 0.00 H new ATOM 110 N PRO A 8 -7.544 -26.563 -12.004 1.00 0.00 N ATOM 111 CA PRO A 8 -7.043 -26.296 -10.649 1.00 0.00 C ATOM 112 C PRO A 8 -5.670 -25.615 -10.652 1.00 0.00 C ATOM 113 O PRO A 8 -4.823 -25.902 -11.517 1.00 0.00 O ATOM 114 CB PRO A 8 -6.939 -27.688 -10.020 1.00 0.00 C ATOM 115 CG PRO A 8 -7.664 -28.601 -10.956 1.00 0.00 C ATOM 116 CD PRO A 8 -7.513 -27.993 -12.310 1.00 0.00 C ATOM 0 HA PRO A 8 -7.699 -25.615 -10.108 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -5.898 -27.990 -9.904 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.389 -27.705 -9.027 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.242 -29.606 -10.929 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.715 -28.689 -10.681 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.579 -28.288 -12.788 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -8.321 -28.285 -12.981 1.00 0.00 H new ATOM 124 N PRO A 9 -5.445 -24.686 -9.714 1.00 0.00 N ATOM 125 CA PRO A 9 -4.190 -23.965 -9.621 1.00 0.00 C ATOM 126 C PRO A 9 -3.093 -24.862 -9.114 1.00 0.00 C ATOM 127 O PRO A 9 -3.322 -25.734 -8.265 1.00 0.00 O ATOM 128 CB PRO A 9 -4.469 -22.844 -8.620 1.00 0.00 C ATOM 129 CG PRO A 9 -5.600 -23.338 -7.794 1.00 0.00 C ATOM 130 CD PRO A 9 -6.395 -24.273 -8.666 1.00 0.00 C ATOM 0 HA PRO A 9 -3.857 -23.590 -10.589 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.593 -22.637 -8.006 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.728 -21.916 -9.129 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -5.235 -23.854 -6.906 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -6.219 -22.509 -7.450 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -6.761 -25.130 -8.101 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -7.266 -23.776 -9.092 1.00 0.00 H new ATOM 138 N ILE A 10 -1.937 -24.682 -9.643 1.00 0.00 N ATOM 139 CA ILE A 10 -0.814 -25.470 -9.262 1.00 0.00 C ATOM 140 C ILE A 10 0.020 -24.638 -8.326 1.00 0.00 C ATOM 141 O ILE A 10 0.626 -23.657 -8.743 1.00 0.00 O ATOM 142 CB ILE A 10 0.007 -25.868 -10.521 1.00 0.00 C ATOM 143 CG1 ILE A 10 -0.905 -26.563 -11.552 1.00 0.00 C ATOM 144 CG2 ILE A 10 1.202 -26.748 -10.169 1.00 0.00 C ATOM 145 CD1 ILE A 10 -1.570 -27.843 -11.054 1.00 0.00 C ATOM 0 H ILE A 10 -1.739 -23.981 -10.357 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.131 -26.389 -8.770 1.00 0.00 H new ATOM 0 HB ILE A 10 0.405 -24.954 -10.962 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -1.681 -25.863 -11.861 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.316 -26.797 -12.439 1.00 0.00 H new ATOM 0 HG21 ILE A 10 1.747 -27.002 -11.078 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.862 -26.210 -9.489 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.852 -27.662 -9.688 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.192 -28.262 -11.845 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -0.804 -28.566 -10.774 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.190 -27.617 -10.187 1.00 0.00 H new ATOM 157 N CYS A 11 -0.001 -24.984 -7.072 1.00 0.00 N ATOM 158 CA CYS A 11 0.730 -24.242 -6.091 1.00 0.00 C ATOM 159 C CYS A 11 1.990 -24.967 -5.668 1.00 0.00 C ATOM 160 O CYS A 11 1.991 -26.184 -5.400 1.00 0.00 O ATOM 161 CB CYS A 11 -0.145 -23.865 -4.894 1.00 0.00 C ATOM 162 SG CYS A 11 -1.585 -22.805 -5.319 1.00 0.00 S ATOM 0 H CYS A 11 -0.521 -25.781 -6.704 1.00 0.00 H new ATOM 0 HA CYS A 11 1.042 -23.308 -6.559 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -0.507 -24.778 -4.421 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.469 -23.346 -4.158 1.00 0.00 H new ATOM 310 N CYS A 22 3.048 -9.663 -1.873 1.00 0.00 N ATOM 311 CA CYS A 22 4.363 -9.131 -1.683 1.00 0.00 C ATOM 312 C CYS A 22 4.482 -8.479 -0.330 1.00 0.00 C ATOM 313 O CYS A 22 3.723 -7.551 0.002 1.00 0.00 O ATOM 314 CB CYS A 22 4.686 -8.114 -2.759 1.00 0.00 C ATOM 315 SG CYS A 22 5.156 -8.813 -4.368 1.00 0.00 S ATOM 0 HA CYS A 22 5.071 -9.958 -1.745 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.818 -7.470 -2.900 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.499 -7.480 -2.405 1.00 0.00 H new ATOM 320 N GLN A 23 5.399 -8.964 0.459 1.00 0.00 N ATOM 321 CA GLN A 23 5.601 -8.419 1.759 1.00 0.00 C ATOM 322 C GLN A 23 6.802 -7.518 1.757 1.00 0.00 C ATOM 323 O GLN A 23 7.946 -7.944 1.529 1.00 0.00 O ATOM 324 CB GLN A 23 5.681 -9.503 2.847 1.00 0.00 C ATOM 325 CG GLN A 23 6.797 -10.513 2.685 1.00 0.00 C ATOM 326 CD GLN A 23 6.697 -11.635 3.690 1.00 0.00 C ATOM 327 OE1 GLN A 23 6.061 -12.648 3.428 1.00 0.00 O ATOM 328 NE2 GLN A 23 7.307 -11.476 4.837 1.00 0.00 N ATOM 0 H GLN A 23 6.017 -9.739 0.218 1.00 0.00 H new ATOM 0 HA GLN A 23 4.727 -7.819 2.013 1.00 0.00 H new ATOM 0 HB2 GLN A 23 5.796 -9.014 3.814 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.732 -10.038 2.872 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.768 -10.926 1.677 1.00 0.00 H new ATOM 0 HG3 GLN A 23 7.758 -10.012 2.796 1.00 0.00 H new ATOM 0 HE21 GLN A 23 7.828 -10.619 5.023 1.00 0.00 H new ATOM 0 HE22 GLN A 23 7.261 -12.209 5.545 1.00 0.00 H new ATOM 337 N ILE A 24 6.537 -6.275 1.936 1.00 0.00 N ATOM 338 CA ILE A 24 7.561 -5.289 1.991 1.00 0.00 C ATOM 339 C ILE A 24 7.439 -4.654 3.346 1.00 0.00 C ATOM 340 O ILE A 24 6.318 -4.318 3.765 1.00 0.00 O ATOM 341 CB ILE A 24 7.421 -4.178 0.891 1.00 0.00 C ATOM 342 CG1 ILE A 24 7.124 -4.750 -0.510 1.00 0.00 C ATOM 343 CG2 ILE A 24 8.690 -3.369 0.817 1.00 0.00 C ATOM 344 CD1 ILE A 24 5.669 -5.069 -0.768 1.00 0.00 C ATOM 0 H ILE A 24 5.593 -5.906 2.050 1.00 0.00 H new ATOM 0 HA ILE A 24 8.526 -5.763 1.814 1.00 0.00 H new ATOM 0 HB ILE A 24 6.575 -3.557 1.185 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.463 -4.034 -1.259 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.711 -5.658 -0.648 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.587 -2.600 0.052 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.878 -2.898 1.782 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.524 -4.023 0.564 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.557 -5.465 -1.777 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.326 -5.810 -0.047 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.074 -4.161 -0.667 1.00 0.00 H new ATOM 356 N ARG A 25 8.530 -4.534 4.047 1.00 0.00 N ATOM 357 CA ARG A 25 8.510 -4.018 5.381 1.00 0.00 C ATOM 358 C ARG A 25 8.263 -2.521 5.348 1.00 0.00 C ATOM 359 O ARG A 25 8.995 -1.770 4.704 1.00 0.00 O ATOM 360 CB ARG A 25 9.806 -4.395 6.111 1.00 0.00 C ATOM 361 CG ARG A 25 11.071 -3.803 5.530 1.00 0.00 C ATOM 362 CD ARG A 25 12.302 -4.455 6.104 1.00 0.00 C ATOM 363 NE ARG A 25 13.518 -3.874 5.546 1.00 0.00 N ATOM 364 CZ ARG A 25 14.317 -4.457 4.642 1.00 0.00 C ATOM 365 NH1 ARG A 25 14.016 -5.657 4.137 1.00 0.00 N ATOM 366 NH2 ARG A 25 15.403 -3.830 4.240 1.00 0.00 N ATOM 0 H ARG A 25 9.457 -4.792 3.708 1.00 0.00 H new ATOM 0 HA ARG A 25 7.691 -4.465 5.944 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.722 -4.081 7.151 1.00 0.00 H new ATOM 0 HB3 ARG A 25 9.900 -5.481 6.112 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.066 -3.924 4.447 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.098 -2.732 5.731 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.305 -4.340 7.188 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.279 -5.525 5.897 1.00 0.00 H new ATOM 0 HE ARG A 25 13.783 -2.944 5.872 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.170 -6.140 4.439 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.632 -6.090 3.449 1.00 0.00 H new ATOM 0 HH21 ARG A 25 15.629 -2.909 4.616 1.00 0.00 H new ATOM 0 HH22 ARG A 25 16.018 -4.265 3.552 1.00 0.00 H new ATOM 380 N ILE A 26 7.232 -2.084 6.029 1.00 0.00 N ATOM 381 CA ILE A 26 6.831 -0.688 5.986 1.00 0.00 C ATOM 382 C ILE A 26 7.822 0.245 6.608 1.00 0.00 C ATOM 383 O ILE A 26 7.815 1.441 6.338 1.00 0.00 O ATOM 384 CB ILE A 26 5.383 -0.431 6.496 1.00 0.00 C ATOM 385 CG1 ILE A 26 5.108 -0.997 7.920 1.00 0.00 C ATOM 386 CG2 ILE A 26 4.402 -1.001 5.512 1.00 0.00 C ATOM 387 CD1 ILE A 26 5.758 -0.249 9.074 1.00 0.00 C ATOM 0 H ILE A 26 6.649 -2.673 6.624 1.00 0.00 H new ATOM 0 HA ILE A 26 6.820 -0.451 4.922 1.00 0.00 H new ATOM 0 HB ILE A 26 5.264 0.649 6.577 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.030 -1.009 8.082 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.446 -2.033 7.949 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.387 -0.823 5.866 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.538 -0.521 4.543 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.568 -2.074 5.412 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.496 -0.733 10.015 1.00 0.00 H new ATOM 0 HD12 ILE A 26 6.841 -0.258 8.950 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.403 0.782 9.086 1.00 0.00 H new ATOM 399 N GLN A 27 8.707 -0.297 7.378 1.00 0.00 N ATOM 400 CA GLN A 27 9.677 0.489 8.056 1.00 0.00 C ATOM 401 C GLN A 27 10.765 0.949 7.104 1.00 0.00 C ATOM 402 O GLN A 27 11.458 1.938 7.370 1.00 0.00 O ATOM 403 CB GLN A 27 10.243 -0.216 9.296 1.00 0.00 C ATOM 404 CG GLN A 27 10.917 -1.563 9.056 1.00 0.00 C ATOM 405 CD GLN A 27 9.964 -2.749 9.054 1.00 0.00 C ATOM 406 OE1 GLN A 27 8.801 -2.639 8.683 1.00 0.00 O ATOM 407 NE2 GLN A 27 10.448 -3.888 9.453 1.00 0.00 N ATOM 0 H GLN A 27 8.776 -1.299 7.553 1.00 0.00 H new ATOM 0 HA GLN A 27 9.171 1.380 8.428 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.966 0.449 9.768 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.431 -0.361 10.008 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.439 -1.530 8.100 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.672 -1.720 9.826 1.00 0.00 H new ATOM 0 HE21 GLN A 27 11.420 -3.951 9.756 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.856 -4.719 9.462 1.00 0.00 H new ATOM 416 N GLN A 28 10.872 0.280 5.955 1.00 0.00 N ATOM 417 CA GLN A 28 11.838 0.684 4.964 1.00 0.00 C ATOM 418 C GLN A 28 11.216 1.812 4.129 1.00 0.00 C ATOM 419 O GLN A 28 11.909 2.599 3.493 1.00 0.00 O ATOM 420 CB GLN A 28 12.254 -0.491 4.057 1.00 0.00 C ATOM 421 CG GLN A 28 11.318 -0.762 2.899 1.00 0.00 C ATOM 422 CD GLN A 28 11.840 -1.785 1.931 1.00 0.00 C ATOM 423 OE1 GLN A 28 11.545 -1.580 0.681 1.00 0.00 O flip ATOM 424 NE2 GLN A 28 12.539 -2.725 2.295 1.00 0.00 N flip ATOM 0 H GLN A 28 10.306 -0.530 5.701 1.00 0.00 H new ATOM 0 HA GLN A 28 12.743 1.030 5.464 1.00 0.00 H new ATOM 0 HB2 GLN A 28 13.250 -0.291 3.662 1.00 0.00 H new ATOM 0 HB3 GLN A 28 12.327 -1.393 4.665 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.358 -1.100 3.290 1.00 0.00 H new ATOM 0 HG3 GLN A 28 11.134 0.170 2.365 1.00 0.00 H new ATOM 0 HE21 GLN A 28 12.748 -2.852 3.285 1.00 0.00 H new ATOM 0 HE22 GLN A 28 12.911 -3.380 1.607 1.00 0.00 H new ATOM 433 N LEU A 29 9.883 1.896 4.182 1.00 0.00 N ATOM 434 CA LEU A 29 9.145 2.918 3.457 1.00 0.00 C ATOM 435 C LEU A 29 8.928 4.126 4.286 1.00 0.00 C ATOM 436 O LEU A 29 8.289 5.068 3.828 1.00 0.00 O ATOM 437 CB LEU A 29 7.780 2.449 2.930 1.00 0.00 C ATOM 438 CG LEU A 29 7.771 1.466 1.772 1.00 0.00 C ATOM 439 CD1 LEU A 29 8.829 1.827 0.740 1.00 0.00 C ATOM 440 CD2 LEU A 29 7.881 0.045 2.247 1.00 0.00 C ATOM 0 H LEU A 29 9.296 1.262 4.724 1.00 0.00 H new ATOM 0 HA LEU A 29 9.777 3.149 2.600 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.238 1.995 3.760 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.217 3.331 2.626 1.00 0.00 H new ATOM 0 HG LEU A 29 6.805 1.543 1.273 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.800 1.107 -0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.632 2.826 0.351 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.814 1.807 1.206 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.871 -0.627 1.389 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.813 -0.083 2.798 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.039 -0.187 2.899 1.00 0.00 H new ATOM 452 N ASN A 30 9.475 4.125 5.491 1.00 0.00 N ATOM 453 CA ASN A 30 9.327 5.264 6.394 1.00 0.00 C ATOM 454 C ASN A 30 9.895 6.501 5.736 1.00 0.00 C ATOM 455 O ASN A 30 9.350 7.587 5.876 1.00 0.00 O ATOM 456 CB ASN A 30 10.025 5.023 7.747 1.00 0.00 C ATOM 457 CG ASN A 30 9.775 6.153 8.761 1.00 0.00 C ATOM 458 OD1 ASN A 30 8.809 6.110 9.528 1.00 0.00 O ATOM 459 ND2 ASN A 30 10.643 7.142 8.794 1.00 0.00 N ATOM 0 H ASN A 30 10.024 3.353 5.869 1.00 0.00 H new ATOM 0 HA ASN A 30 8.264 5.399 6.595 1.00 0.00 H new ATOM 0 HB2 ASN A 30 9.675 4.080 8.168 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.098 4.920 7.583 1.00 0.00 H new ATOM 0 HD21 ASN A 30 10.527 7.900 9.466 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.432 7.150 8.147 1.00 0.00 H new ATOM 466 N HIS A 31 10.960 6.314 4.952 1.00 0.00 N ATOM 467 CA HIS A 31 11.575 7.429 4.282 1.00 0.00 C ATOM 468 C HIS A 31 10.650 7.955 3.180 1.00 0.00 C ATOM 469 O HIS A 31 10.377 9.136 3.135 1.00 0.00 O ATOM 470 CB HIS A 31 12.947 7.081 3.704 1.00 0.00 C ATOM 471 CG HIS A 31 13.802 8.305 3.482 1.00 0.00 C ATOM 472 ND1 HIS A 31 13.564 9.437 2.765 1.00 0.00 N flip ATOM 473 CD2 HIS A 31 15.036 8.481 4.052 1.00 0.00 C flip ATOM 474 CE1 HIS A 31 14.644 10.296 2.902 1.00 0.00 C flip ATOM 475 NE2 HIS A 31 15.498 9.668 3.689 1.00 0.00 N flip ATOM 0 H HIS A 31 11.398 5.410 4.776 1.00 0.00 H new ATOM 0 HA HIS A 31 11.733 8.208 5.028 1.00 0.00 H new ATOM 0 HB2 HIS A 31 13.462 6.399 4.381 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.818 6.554 2.758 1.00 0.00 H new ATOM 0 HD2 HIS A 31 15.545 7.772 4.689 1.00 0.00 H new ATOM 0 HE1 HIS A 31 14.762 11.273 2.458 1.00 0.00 H new ATOM 0 HE2 HIS A 31 16.399 10.048 3.980 1.00 0.00 H new ATOM 483 N CYS A 32 10.156 7.064 2.319 1.00 0.00 N ATOM 484 CA CYS A 32 9.227 7.460 1.240 1.00 0.00 C ATOM 485 C CYS A 32 7.994 8.123 1.823 1.00 0.00 C ATOM 486 O CYS A 32 7.609 9.211 1.405 1.00 0.00 O ATOM 487 CB CYS A 32 8.836 6.263 0.356 1.00 0.00 C ATOM 488 SG CYS A 32 9.545 6.249 -1.321 1.00 0.00 S ATOM 0 H CYS A 32 10.377 6.068 2.340 1.00 0.00 H new ATOM 0 HA CYS A 32 9.744 8.178 0.603 1.00 0.00 H new ATOM 0 HB2 CYS A 32 9.137 5.347 0.864 1.00 0.00 H new ATOM 0 HB3 CYS A 32 7.750 6.238 0.271 1.00 0.00 H new ATOM 493 N GLN A 33 7.417 7.481 2.818 1.00 0.00 N ATOM 494 CA GLN A 33 6.293 7.992 3.539 1.00 0.00 C ATOM 495 C GLN A 33 6.553 9.415 4.061 1.00 0.00 C ATOM 496 O GLN A 33 5.767 10.326 3.795 1.00 0.00 O ATOM 497 CB GLN A 33 5.972 7.044 4.688 1.00 0.00 C ATOM 498 CG GLN A 33 5.140 7.680 5.765 1.00 0.00 C ATOM 499 CD GLN A 33 4.956 6.801 6.960 1.00 0.00 C ATOM 500 OE1 GLN A 33 3.855 6.130 7.022 1.00 0.00 O flip ATOM 501 NE2 GLN A 33 5.782 6.795 7.874 1.00 0.00 N flip ATOM 0 H GLN A 33 7.732 6.569 3.148 1.00 0.00 H new ATOM 0 HA GLN A 33 5.440 8.054 2.864 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.445 6.174 4.296 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.904 6.682 5.123 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.611 8.613 6.076 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.163 7.937 5.357 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.641 7.338 7.789 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.607 6.247 8.716 1.00 0.00 H new ATOM 510 N MET A 34 7.661 9.613 4.761 1.00 0.00 N ATOM 511 CA MET A 34 7.949 10.915 5.342 1.00 0.00 C ATOM 512 C MET A 34 8.295 11.920 4.274 1.00 0.00 C ATOM 513 O MET A 34 7.863 13.043 4.330 1.00 0.00 O ATOM 514 CB MET A 34 9.066 10.863 6.406 1.00 0.00 C ATOM 515 CG MET A 34 10.456 10.537 5.878 1.00 0.00 C ATOM 516 SD MET A 34 11.710 10.373 7.167 1.00 0.00 S ATOM 517 CE MET A 34 11.728 12.032 7.852 1.00 0.00 C ATOM 0 H MET A 34 8.367 8.898 4.939 1.00 0.00 H new ATOM 0 HA MET A 34 7.037 11.231 5.848 1.00 0.00 H new ATOM 0 HB2 MET A 34 9.106 11.827 6.914 1.00 0.00 H new ATOM 0 HB3 MET A 34 8.797 10.118 7.155 1.00 0.00 H new ATOM 0 HG2 MET A 34 10.409 9.608 5.310 1.00 0.00 H new ATOM 0 HG3 MET A 34 10.763 11.320 5.184 1.00 0.00 H new ATOM 0 HE1 MET A 34 12.612 12.158 8.478 1.00 0.00 H new ATOM 0 HE2 MET A 34 11.751 12.760 7.041 1.00 0.00 H new ATOM 0 HE3 MET A 34 10.832 12.187 8.454 1.00 0.00 H new ATOM 527 N HIS A 35 9.018 11.494 3.269 1.00 0.00 N ATOM 528 CA HIS A 35 9.464 12.418 2.242 1.00 0.00 C ATOM 529 C HIS A 35 8.315 12.888 1.363 1.00 0.00 C ATOM 530 O HIS A 35 8.402 13.928 0.707 1.00 0.00 O ATOM 531 CB HIS A 35 10.680 11.890 1.425 1.00 0.00 C ATOM 532 CG HIS A 35 10.461 10.962 0.243 1.00 0.00 C ATOM 533 ND1 HIS A 35 10.984 9.747 -0.009 1.00 0.00 N flip ATOM 534 CD2 HIS A 35 9.758 11.305 -0.896 1.00 0.00 C flip ATOM 535 CE1 HIS A 35 10.623 9.343 -1.282 1.00 0.00 C flip ATOM 536 NE2 HIS A 35 9.888 10.307 -1.773 1.00 0.00 N flip ATOM 0 H HIS A 35 9.311 10.526 3.135 1.00 0.00 H new ATOM 0 HA HIS A 35 9.836 13.299 2.764 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.224 12.760 1.057 1.00 0.00 H new ATOM 0 HB3 HIS A 35 11.339 11.374 2.123 1.00 0.00 H new ATOM 0 HD2 HIS A 35 9.202 12.218 -1.049 1.00 0.00 H new ATOM 0 HE1 HIS A 35 10.893 8.419 -1.771 1.00 0.00 H new ATOM 0 HE2 HIS A 35 9.469 10.297 -2.703 1.00 0.00 H new ATOM 544 N LEU A 36 7.272 12.104 1.313 1.00 0.00 N ATOM 545 CA LEU A 36 6.077 12.500 0.609 1.00 0.00 C ATOM 546 C LEU A 36 5.116 13.269 1.497 1.00 0.00 C ATOM 547 O LEU A 36 4.499 14.214 1.057 1.00 0.00 O ATOM 548 CB LEU A 36 5.360 11.312 0.003 1.00 0.00 C ATOM 549 CG LEU A 36 6.147 10.516 -1.030 1.00 0.00 C ATOM 550 CD1 LEU A 36 5.369 9.299 -1.460 1.00 0.00 C ATOM 551 CD2 LEU A 36 6.495 11.379 -2.231 1.00 0.00 C ATOM 0 H LEU A 36 7.223 11.185 1.752 1.00 0.00 H new ATOM 0 HA LEU A 36 6.409 13.159 -0.193 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.070 10.638 0.809 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.441 11.666 -0.463 1.00 0.00 H new ATOM 0 HG LEU A 36 7.079 10.188 -0.569 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.945 8.741 -2.198 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.178 8.665 -0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.421 9.610 -1.899 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.057 10.787 -2.954 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.578 11.744 -2.695 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.100 12.226 -1.907 1.00 0.00 H new ATOM 563 N THR A 37 4.976 12.876 2.738 1.00 0.00 N ATOM 564 CA THR A 37 3.985 13.538 3.557 1.00 0.00 C ATOM 565 C THR A 37 4.508 14.826 4.166 1.00 0.00 C ATOM 566 O THR A 37 3.737 15.714 4.526 1.00 0.00 O ATOM 567 CB THR A 37 3.461 12.609 4.672 1.00 0.00 C ATOM 568 OG1 THR A 37 4.555 12.086 5.446 1.00 0.00 O ATOM 569 CG2 THR A 37 2.677 11.449 4.100 1.00 0.00 C ATOM 0 H THR A 37 5.509 12.134 3.191 1.00 0.00 H new ATOM 0 HA THR A 37 3.160 13.790 2.891 1.00 0.00 H new ATOM 0 HB THR A 37 2.805 13.205 5.307 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.002 11.374 4.942 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.322 10.814 4.912 1.00 0.00 H new ATOM 0 HG22 THR A 37 1.824 11.829 3.537 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.319 10.867 3.438 1.00 0.00 H new ATOM 577 N SER A 38 5.791 14.922 4.274 1.00 0.00 N ATOM 578 CA SER A 38 6.413 16.074 4.843 1.00 0.00 C ATOM 579 C SER A 38 6.777 17.099 3.788 1.00 0.00 C ATOM 580 O SER A 38 7.538 16.798 2.849 1.00 0.00 O ATOM 581 CB SER A 38 7.628 15.679 5.685 1.00 0.00 C ATOM 582 OG SER A 38 8.209 16.783 6.361 1.00 0.00 O ATOM 0 H SER A 38 6.443 14.200 3.968 1.00 0.00 H new ATOM 0 HA SER A 38 5.686 16.546 5.504 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.329 14.927 6.416 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.377 15.218 5.041 1.00 0.00 H new ATOM 0 HG SER A 38 8.979 16.478 6.885 1.00 0.00 H new ATOM 588 N PHE A 39 6.263 18.282 3.919 1.00 0.00 N ATOM 589 CA PHE A 39 6.725 19.359 3.103 1.00 0.00 C ATOM 590 C PHE A 39 7.900 19.955 3.812 1.00 0.00 C ATOM 591 O PHE A 39 7.756 20.768 4.740 1.00 0.00 O ATOM 592 CB PHE A 39 5.638 20.378 2.797 1.00 0.00 C ATOM 593 CG PHE A 39 4.604 19.834 1.869 1.00 0.00 C ATOM 594 CD1 PHE A 39 3.379 19.413 2.337 1.00 0.00 C ATOM 595 CD2 PHE A 39 4.877 19.722 0.515 1.00 0.00 C ATOM 596 CE1 PHE A 39 2.445 18.893 1.476 1.00 0.00 C ATOM 597 CE2 PHE A 39 3.946 19.204 -0.352 1.00 0.00 C ATOM 598 CZ PHE A 39 2.729 18.790 0.128 1.00 0.00 C ATOM 0 H PHE A 39 5.526 18.525 4.581 1.00 0.00 H new ATOM 0 HA PHE A 39 7.020 18.993 2.119 1.00 0.00 H new ATOM 0 HB2 PHE A 39 5.162 20.690 3.727 1.00 0.00 H new ATOM 0 HB3 PHE A 39 6.089 21.267 2.356 1.00 0.00 H new ATOM 0 HD1 PHE A 39 3.151 19.493 3.390 1.00 0.00 H new ATOM 0 HD2 PHE A 39 5.835 20.046 0.136 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.488 18.564 1.853 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.171 19.123 -1.405 1.00 0.00 H new ATOM 0 HZ PHE A 39 1.992 18.383 -0.549 1.00 0.00 H new ATOM 865 N HIS A 55 16.057 11.802 -1.349 1.00 0.00 N ATOM 866 CA HIS A 55 15.073 10.973 -0.689 1.00 0.00 C ATOM 867 C HIS A 55 14.596 9.838 -1.603 1.00 0.00 C ATOM 868 O HIS A 55 14.260 8.743 -1.145 1.00 0.00 O ATOM 869 CB HIS A 55 13.904 11.837 -0.130 1.00 0.00 C ATOM 870 CG HIS A 55 13.192 12.765 -1.112 1.00 0.00 C ATOM 871 ND1 HIS A 55 12.405 13.832 -0.723 1.00 0.00 N ATOM 872 CD2 HIS A 55 13.124 12.741 -2.458 1.00 0.00 C ATOM 873 CE1 HIS A 55 11.894 14.395 -1.817 1.00 0.00 C ATOM 874 NE2 HIS A 55 12.298 13.767 -2.905 1.00 0.00 N ATOM 0 HA HIS A 55 15.544 10.493 0.169 1.00 0.00 H new ATOM 0 HB2 HIS A 55 13.161 11.164 0.298 1.00 0.00 H new ATOM 0 HB3 HIS A 55 14.293 12.444 0.687 1.00 0.00 H new ATOM 0 HD2 HIS A 55 13.634 12.032 -3.093 1.00 0.00 H new ATOM 0 HE1 HIS A 55 11.236 15.252 -1.814 1.00 0.00 H new ATOM 0 HE2 HIS A 55 12.056 13.988 -3.871 1.00 0.00 H new ATOM 882 N LEU A 56 14.679 10.082 -2.892 1.00 0.00 N ATOM 883 CA LEU A 56 14.275 9.129 -3.886 1.00 0.00 C ATOM 884 C LEU A 56 15.413 8.178 -4.097 1.00 0.00 C ATOM 885 O LEU A 56 15.201 6.974 -4.185 1.00 0.00 O ATOM 886 CB LEU A 56 13.842 9.852 -5.196 1.00 0.00 C ATOM 887 CG LEU A 56 13.351 8.992 -6.397 1.00 0.00 C ATOM 888 CD1 LEU A 56 14.495 8.323 -7.146 1.00 0.00 C ATOM 889 CD2 LEU A 56 12.354 7.950 -5.932 1.00 0.00 C ATOM 0 H LEU A 56 15.033 10.958 -3.277 1.00 0.00 H new ATOM 0 HA LEU A 56 13.403 8.565 -3.555 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.044 10.549 -4.941 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.688 10.448 -5.540 1.00 0.00 H new ATOM 0 HG LEU A 56 12.865 9.675 -7.094 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.095 7.736 -7.973 1.00 0.00 H new ATOM 0 HD12 LEU A 56 15.170 9.085 -7.535 1.00 0.00 H new ATOM 0 HD13 LEU A 56 15.040 7.668 -6.467 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.022 7.358 -6.785 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.826 7.296 -5.199 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.496 8.445 -5.477 1.00 0.00 H new ATOM 901 N SER A 57 16.626 8.718 -4.139 1.00 0.00 N ATOM 902 CA SER A 57 17.827 7.920 -4.262 1.00 0.00 C ATOM 903 C SER A 57 17.900 6.901 -3.125 1.00 0.00 C ATOM 904 O SER A 57 18.409 5.814 -3.295 1.00 0.00 O ATOM 905 CB SER A 57 19.060 8.827 -4.239 1.00 0.00 C ATOM 906 OG SER A 57 18.966 9.833 -5.237 1.00 0.00 O ATOM 0 H SER A 57 16.798 9.722 -4.088 1.00 0.00 H new ATOM 0 HA SER A 57 17.801 7.384 -5.210 1.00 0.00 H new ATOM 0 HB2 SER A 57 19.157 9.291 -3.257 1.00 0.00 H new ATOM 0 HB3 SER A 57 19.958 8.231 -4.401 1.00 0.00 H new ATOM 0 HG SER A 57 19.763 10.402 -5.204 1.00 0.00 H new ATOM 912 N LEU A 58 17.364 7.266 -1.983 1.00 0.00 N ATOM 913 CA LEU A 58 17.349 6.399 -0.832 1.00 0.00 C ATOM 914 C LEU A 58 16.183 5.415 -0.896 1.00 0.00 C ATOM 915 O LEU A 58 16.364 4.217 -0.698 1.00 0.00 O ATOM 916 CB LEU A 58 17.272 7.243 0.426 1.00 0.00 C ATOM 917 CG LEU A 58 18.376 8.288 0.548 1.00 0.00 C ATOM 918 CD1 LEU A 58 18.160 9.157 1.754 1.00 0.00 C ATOM 919 CD2 LEU A 58 19.737 7.632 0.605 1.00 0.00 C ATOM 0 H LEU A 58 16.926 8.174 -1.828 1.00 0.00 H new ATOM 0 HA LEU A 58 18.267 5.812 -0.819 1.00 0.00 H new ATOM 0 HB2 LEU A 58 16.306 7.747 0.453 1.00 0.00 H new ATOM 0 HB3 LEU A 58 17.313 6.585 1.294 1.00 0.00 H new ATOM 0 HG LEU A 58 18.338 8.919 -0.340 1.00 0.00 H new ATOM 0 HD11 LEU A 58 18.960 9.894 1.819 1.00 0.00 H new ATOM 0 HD12 LEU A 58 17.201 9.669 1.667 1.00 0.00 H new ATOM 0 HD13 LEU A 58 18.161 8.540 2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 58 20.507 8.399 0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 58 19.786 6.969 1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 58 19.901 7.055 -0.305 1.00 0.00 H new ATOM 931 N CYS A 59 14.993 5.913 -1.183 1.00 0.00 N ATOM 932 CA CYS A 59 13.810 5.058 -1.237 1.00 0.00 C ATOM 933 C CYS A 59 13.888 4.044 -2.390 1.00 0.00 C ATOM 934 O CYS A 59 13.727 2.841 -2.169 1.00 0.00 O ATOM 935 CB CYS A 59 12.536 5.880 -1.325 1.00 0.00 C ATOM 936 SG CYS A 59 11.021 4.878 -1.220 1.00 0.00 S ATOM 0 H CYS A 59 14.816 6.898 -1.382 1.00 0.00 H new ATOM 0 HA CYS A 59 13.784 4.493 -0.305 1.00 0.00 H new ATOM 0 HB2 CYS A 59 12.532 6.617 -0.522 1.00 0.00 H new ATOM 0 HB3 CYS A 59 12.533 6.432 -2.265 1.00 0.00 H new ATOM 941 N CYS A 60 14.194 4.523 -3.602 1.00 0.00 N ATOM 942 CA CYS A 60 14.331 3.668 -4.794 1.00 0.00 C ATOM 943 C CYS A 60 15.423 2.624 -4.574 1.00 0.00 C ATOM 944 O CYS A 60 15.318 1.501 -5.028 1.00 0.00 O ATOM 945 CB CYS A 60 14.597 4.537 -6.060 1.00 0.00 C ATOM 946 SG CYS A 60 14.919 3.653 -7.655 1.00 0.00 S ATOM 0 H CYS A 60 14.354 5.513 -3.787 1.00 0.00 H new ATOM 0 HA CYS A 60 13.396 3.133 -4.960 1.00 0.00 H new ATOM 0 HB2 CYS A 60 13.737 5.190 -6.206 1.00 0.00 H new ATOM 0 HB3 CYS A 60 15.453 5.179 -5.853 1.00 0.00 H new ATOM 951 N ASN A 61 16.417 2.977 -3.789 1.00 0.00 N ATOM 952 CA ASN A 61 17.533 2.067 -3.498 1.00 0.00 C ATOM 953 C ASN A 61 17.151 1.037 -2.456 1.00 0.00 C ATOM 954 O ASN A 61 17.705 -0.053 -2.403 1.00 0.00 O ATOM 955 CB ASN A 61 18.731 2.862 -3.037 1.00 0.00 C ATOM 956 CG ASN A 61 19.973 2.028 -2.735 1.00 0.00 C ATOM 957 OD1 ASN A 61 20.172 1.572 -1.604 1.00 0.00 O ATOM 958 ND2 ASN A 61 20.827 1.864 -3.711 1.00 0.00 N ATOM 0 H ASN A 61 16.487 3.887 -3.334 1.00 0.00 H new ATOM 0 HA ASN A 61 17.784 1.531 -4.413 1.00 0.00 H new ATOM 0 HB2 ASN A 61 18.980 3.595 -3.804 1.00 0.00 H new ATOM 0 HB3 ASN A 61 18.457 3.419 -2.141 1.00 0.00 H new ATOM 0 HD21 ASN A 61 21.691 1.345 -3.551 1.00 0.00 H new ATOM 0 HD22 ASN A 61 20.630 2.255 -4.632 1.00 0.00 H new ATOM 965 N GLN A 62 16.198 1.373 -1.649 1.00 0.00 N ATOM 966 CA GLN A 62 15.762 0.489 -0.608 1.00 0.00 C ATOM 967 C GLN A 62 14.735 -0.495 -1.150 1.00 0.00 C ATOM 968 O GLN A 62 14.792 -1.698 -0.871 1.00 0.00 O ATOM 969 CB GLN A 62 15.186 1.293 0.558 1.00 0.00 C ATOM 970 CG GLN A 62 14.789 0.466 1.762 1.00 0.00 C ATOM 971 CD GLN A 62 15.972 -0.175 2.452 1.00 0.00 C ATOM 972 OE1 GLN A 62 16.560 0.414 3.363 1.00 0.00 O ATOM 973 NE2 GLN A 62 16.313 -1.378 2.057 1.00 0.00 N ATOM 0 H GLN A 62 15.700 2.262 -1.689 1.00 0.00 H new ATOM 0 HA GLN A 62 16.617 -0.079 -0.242 1.00 0.00 H new ATOM 0 HB2 GLN A 62 15.923 2.033 0.870 1.00 0.00 H new ATOM 0 HB3 GLN A 62 14.312 1.841 0.207 1.00 0.00 H new ATOM 0 HG2 GLN A 62 14.260 1.100 2.473 1.00 0.00 H new ATOM 0 HG3 GLN A 62 14.093 -0.312 1.449 1.00 0.00 H new ATOM 0 HE21 GLN A 62 15.801 -1.830 1.300 1.00 0.00 H new ATOM 0 HE22 GLN A 62 17.090 -1.861 2.507 1.00 0.00 H new ATOM 982 N LEU A 63 13.825 0.015 -1.949 1.00 0.00 N ATOM 983 CA LEU A 63 12.755 -0.779 -2.509 1.00 0.00 C ATOM 984 C LEU A 63 13.302 -1.783 -3.519 1.00 0.00 C ATOM 985 O LEU A 63 12.774 -2.869 -3.667 1.00 0.00 O ATOM 986 CB LEU A 63 11.691 0.147 -3.143 1.00 0.00 C ATOM 987 CG LEU A 63 12.066 0.873 -4.433 1.00 0.00 C ATOM 988 CD1 LEU A 63 11.839 0.011 -5.645 1.00 0.00 C ATOM 989 CD2 LEU A 63 11.317 2.157 -4.552 1.00 0.00 C ATOM 0 H LEU A 63 13.806 0.995 -2.230 1.00 0.00 H new ATOM 0 HA LEU A 63 12.277 -1.349 -1.712 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.800 -0.450 -3.340 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.415 0.898 -2.403 1.00 0.00 H new ATOM 0 HG LEU A 63 13.132 1.095 -4.385 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.118 0.564 -6.542 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.448 -0.890 -5.570 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.786 -0.266 -5.702 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.599 2.658 -5.478 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.246 1.954 -4.561 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.558 2.799 -3.704 1.00 0.00 H new ATOM 1001 N GLN A 64 14.374 -1.401 -4.201 1.00 0.00 N ATOM 1002 CA GLN A 64 14.972 -2.233 -5.238 1.00 0.00 C ATOM 1003 C GLN A 64 15.681 -3.459 -4.663 1.00 0.00 C ATOM 1004 O GLN A 64 16.101 -4.350 -5.409 1.00 0.00 O ATOM 1005 CB GLN A 64 15.937 -1.427 -6.088 1.00 0.00 C ATOM 1006 CG GLN A 64 17.172 -0.997 -5.355 1.00 0.00 C ATOM 1007 CD GLN A 64 18.196 -0.373 -6.266 1.00 0.00 C ATOM 1008 OE1 GLN A 64 18.058 0.895 -6.525 1.00 0.00 O flip ATOM 1009 NE2 GLN A 64 19.083 -1.052 -6.774 1.00 0.00 N flip ATOM 0 H GLN A 64 14.851 -0.512 -4.053 1.00 0.00 H new ATOM 0 HA GLN A 64 14.154 -2.589 -5.864 1.00 0.00 H new ATOM 0 HB2 GLN A 64 16.228 -2.021 -6.954 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.423 -0.543 -6.466 1.00 0.00 H new ATOM 0 HG2 GLN A 64 16.899 -0.283 -4.578 1.00 0.00 H new ATOM 0 HG3 GLN A 64 17.613 -1.860 -4.855 1.00 0.00 H new ATOM 0 HE21 GLN A 64 19.160 -2.043 -6.547 1.00 0.00 H new ATOM 0 HE22 GLN A 64 19.743 -0.625 -7.423 1.00 0.00 H new ATOM 1018 N GLU A 65 15.848 -3.499 -3.348 1.00 0.00 N ATOM 1019 CA GLU A 65 16.451 -4.656 -2.731 1.00 0.00 C ATOM 1020 C GLU A 65 15.378 -5.700 -2.456 1.00 0.00 C ATOM 1021 O GLU A 65 15.666 -6.867 -2.123 1.00 0.00 O ATOM 1022 CB GLU A 65 17.199 -4.305 -1.459 1.00 0.00 C ATOM 1023 CG GLU A 65 18.282 -3.270 -1.658 1.00 0.00 C ATOM 1024 CD GLU A 65 19.198 -3.174 -0.479 1.00 0.00 C ATOM 1025 OE1 GLU A 65 20.395 -3.511 -0.625 1.00 0.00 O ATOM 1026 OE2 GLU A 65 18.749 -2.805 0.628 1.00 0.00 O ATOM 0 H GLU A 65 15.578 -2.755 -2.704 1.00 0.00 H new ATOM 0 HA GLU A 65 17.188 -5.062 -3.424 1.00 0.00 H new ATOM 0 HB2 GLU A 65 16.488 -3.937 -0.720 1.00 0.00 H new ATOM 0 HB3 GLU A 65 17.645 -5.211 -1.048 1.00 0.00 H new ATOM 0 HG2 GLU A 65 18.862 -3.520 -2.547 1.00 0.00 H new ATOM 0 HG3 GLU A 65 17.824 -2.298 -1.840 1.00 0.00 H new ATOM 1033 N VAL A 66 14.150 -5.268 -2.578 1.00 0.00 N ATOM 1034 CA VAL A 66 12.994 -6.130 -2.463 1.00 0.00 C ATOM 1035 C VAL A 66 12.797 -6.777 -3.825 1.00 0.00 C ATOM 1036 O VAL A 66 13.402 -6.338 -4.810 1.00 0.00 O ATOM 1037 CB VAL A 66 11.721 -5.310 -2.075 1.00 0.00 C ATOM 1038 CG1 VAL A 66 10.547 -6.203 -1.701 1.00 0.00 C ATOM 1039 CG2 VAL A 66 12.026 -4.351 -0.953 1.00 0.00 C ATOM 0 H VAL A 66 13.917 -4.292 -2.763 1.00 0.00 H new ATOM 0 HA VAL A 66 13.149 -6.876 -1.683 1.00 0.00 H new ATOM 0 HB VAL A 66 11.429 -4.744 -2.959 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.688 -5.585 -1.440 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.291 -6.841 -2.547 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.820 -6.824 -0.848 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.126 -3.790 -0.699 1.00 0.00 H new ATOM 0 HG22 VAL A 66 12.365 -4.909 -0.080 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.808 -3.659 -1.268 1.00 0.00 H new ATOM 1049 N GLU A 67 12.028 -7.836 -3.859 1.00 0.00 N ATOM 1050 CA GLU A 67 11.710 -8.570 -5.062 1.00 0.00 C ATOM 1051 C GLU A 67 11.276 -7.651 -6.180 1.00 0.00 C ATOM 1052 O GLU A 67 10.540 -6.696 -5.955 1.00 0.00 O ATOM 1053 CB GLU A 67 10.628 -9.609 -4.797 1.00 0.00 C ATOM 1054 CG GLU A 67 11.037 -10.731 -3.866 1.00 0.00 C ATOM 1055 CD GLU A 67 11.187 -10.308 -2.419 1.00 0.00 C ATOM 1056 OE1 GLU A 67 12.298 -9.939 -2.009 1.00 0.00 O ATOM 1057 OE2 GLU A 67 10.193 -10.331 -1.673 1.00 0.00 O ATOM 0 H GLU A 67 11.591 -8.225 -3.024 1.00 0.00 H new ATOM 0 HA GLU A 67 12.622 -9.079 -5.375 1.00 0.00 H new ATOM 0 HB2 GLU A 67 9.757 -9.106 -4.376 1.00 0.00 H new ATOM 0 HB3 GLU A 67 10.318 -10.041 -5.749 1.00 0.00 H new ATOM 0 HG2 GLU A 67 10.295 -11.527 -3.926 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.982 -11.149 -4.211 1.00 0.00 H new ATOM 1064 N LYS A 68 11.691 -7.993 -7.371 1.00 0.00 N ATOM 1065 CA LYS A 68 11.502 -7.192 -8.584 1.00 0.00 C ATOM 1066 C LYS A 68 10.029 -6.806 -8.825 1.00 0.00 C ATOM 1067 O LYS A 68 9.712 -5.675 -9.232 1.00 0.00 O ATOM 1068 CB LYS A 68 12.107 -7.959 -9.776 1.00 0.00 C ATOM 1069 CG LYS A 68 11.509 -9.348 -9.994 1.00 0.00 C ATOM 1070 CD LYS A 68 12.371 -10.222 -10.901 1.00 0.00 C ATOM 1071 CE LYS A 68 12.484 -9.689 -12.324 1.00 0.00 C ATOM 1072 NZ LYS A 68 11.186 -9.649 -13.015 1.00 0.00 N ATOM 0 H LYS A 68 12.190 -8.866 -7.545 1.00 0.00 H new ATOM 0 HA LYS A 68 12.022 -6.242 -8.462 1.00 0.00 H new ATOM 0 HB2 LYS A 68 11.968 -7.369 -10.682 1.00 0.00 H new ATOM 0 HB3 LYS A 68 13.182 -8.058 -9.622 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.386 -9.842 -9.030 1.00 0.00 H new ATOM 0 HG3 LYS A 68 10.515 -9.247 -10.430 1.00 0.00 H new ATOM 0 HD2 LYS A 68 13.369 -10.305 -10.471 1.00 0.00 H new ATOM 0 HD3 LYS A 68 11.952 -11.228 -10.930 1.00 0.00 H new ATOM 0 HE2 LYS A 68 12.910 -8.686 -12.300 1.00 0.00 H new ATOM 0 HE3 LYS A 68 13.174 -10.315 -12.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 11.333 -9.410 -14.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 10.727 -10.579 -12.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 10.579 -8.929 -12.573 1.00 0.00 H new ATOM 1086 N GLN A 69 9.145 -7.706 -8.480 1.00 0.00 N ATOM 1087 CA GLN A 69 7.724 -7.511 -8.678 1.00 0.00 C ATOM 1088 C GLN A 69 7.116 -6.786 -7.473 1.00 0.00 C ATOM 1089 O GLN A 69 6.083 -6.140 -7.572 1.00 0.00 O ATOM 1090 CB GLN A 69 7.073 -8.873 -8.865 1.00 0.00 C ATOM 1091 CG GLN A 69 7.164 -9.759 -7.628 1.00 0.00 C ATOM 1092 CD GLN A 69 6.985 -11.220 -7.918 1.00 0.00 C ATOM 1093 OE1 GLN A 69 7.514 -12.060 -7.201 1.00 0.00 O ATOM 1094 NE2 GLN A 69 6.285 -11.542 -8.970 1.00 0.00 N ATOM 0 H GLN A 69 9.387 -8.600 -8.052 1.00 0.00 H new ATOM 0 HA GLN A 69 7.551 -6.896 -9.561 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.024 -8.734 -9.128 1.00 0.00 H new ATOM 0 HB3 GLN A 69 7.547 -9.382 -9.704 1.00 0.00 H new ATOM 0 HG2 GLN A 69 8.134 -9.608 -7.154 1.00 0.00 H new ATOM 0 HG3 GLN A 69 6.406 -9.445 -6.910 1.00 0.00 H new ATOM 0 HE21 GLN A 69 5.860 -10.813 -9.542 1.00 0.00 H new ATOM 0 HE22 GLN A 69 6.163 -12.523 -9.220 1.00 0.00 H new ATOM 1103 N CYS A 70 7.806 -6.853 -6.366 1.00 0.00 N ATOM 1104 CA CYS A 70 7.329 -6.313 -5.117 1.00 0.00 C ATOM 1105 C CYS A 70 7.867 -4.911 -4.899 1.00 0.00 C ATOM 1106 O CYS A 70 7.452 -4.211 -3.985 1.00 0.00 O ATOM 1107 CB CYS A 70 7.737 -7.233 -3.978 1.00 0.00 C ATOM 1108 SG CYS A 70 7.178 -8.963 -4.207 1.00 0.00 S ATOM 0 H CYS A 70 8.726 -7.289 -6.303 1.00 0.00 H new ATOM 0 HA CYS A 70 6.241 -6.249 -5.148 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.823 -7.219 -3.880 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.328 -6.847 -3.044 1.00 0.00 H new ATOM 1113 N GLN A 71 8.789 -4.514 -5.757 1.00 0.00 N ATOM 1114 CA GLN A 71 9.367 -3.176 -5.752 1.00 0.00 C ATOM 1115 C GLN A 71 8.285 -2.118 -5.899 1.00 0.00 C ATOM 1116 O GLN A 71 8.286 -1.122 -5.204 1.00 0.00 O ATOM 1117 CB GLN A 71 10.361 -3.049 -6.883 1.00 0.00 C ATOM 1118 CG GLN A 71 11.668 -3.791 -6.673 1.00 0.00 C ATOM 1119 CD GLN A 71 12.579 -3.749 -7.893 1.00 0.00 C ATOM 1120 OE1 GLN A 71 13.798 -3.722 -7.769 1.00 0.00 O ATOM 1121 NE2 GLN A 71 12.013 -3.839 -9.069 1.00 0.00 N ATOM 0 H GLN A 71 9.165 -5.118 -6.488 1.00 0.00 H new ATOM 0 HA GLN A 71 9.873 -3.021 -4.799 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.896 -3.415 -7.799 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.581 -1.993 -7.037 1.00 0.00 H new ATOM 0 HG2 GLN A 71 12.192 -3.359 -5.820 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.453 -4.830 -6.422 1.00 0.00 H new ATOM 0 HE21 GLN A 71 10.996 -3.860 -9.145 1.00 0.00 H new ATOM 0 HE22 GLN A 71 12.589 -3.889 -9.910 1.00 0.00 H new ATOM 1130 N CYS A 72 7.351 -2.359 -6.790 1.00 0.00 N ATOM 1131 CA CYS A 72 6.264 -1.425 -6.995 1.00 0.00 C ATOM 1132 C CYS A 72 5.195 -1.600 -5.955 1.00 0.00 C ATOM 1133 O CYS A 72 4.461 -0.673 -5.639 1.00 0.00 O ATOM 1134 CB CYS A 72 5.701 -1.549 -8.387 1.00 0.00 C ATOM 1135 SG CYS A 72 5.325 -3.244 -8.923 1.00 0.00 S ATOM 0 H CYS A 72 7.320 -3.189 -7.382 1.00 0.00 H new ATOM 0 HA CYS A 72 6.664 -0.417 -6.888 1.00 0.00 H new ATOM 0 HB2 CYS A 72 4.789 -0.956 -8.447 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.411 -1.112 -9.089 1.00 0.00 H new ATOM 1140 N GLU A 73 5.141 -2.781 -5.397 1.00 0.00 N ATOM 1141 CA GLU A 73 4.193 -3.089 -4.359 1.00 0.00 C ATOM 1142 C GLU A 73 4.541 -2.302 -3.104 1.00 0.00 C ATOM 1143 O GLU A 73 3.663 -1.862 -2.362 1.00 0.00 O ATOM 1144 CB GLU A 73 4.191 -4.583 -4.075 1.00 0.00 C ATOM 1145 CG GLU A 73 3.711 -5.417 -5.247 1.00 0.00 C ATOM 1146 CD GLU A 73 2.264 -5.144 -5.581 1.00 0.00 C ATOM 1147 OE1 GLU A 73 1.970 -4.210 -6.355 1.00 0.00 O ATOM 1148 OE2 GLU A 73 1.392 -5.854 -5.074 1.00 0.00 O ATOM 0 H GLU A 73 5.753 -3.557 -5.650 1.00 0.00 H new ATOM 0 HA GLU A 73 3.193 -2.805 -4.687 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.200 -4.896 -3.805 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.554 -4.781 -3.213 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.330 -5.207 -6.119 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.836 -6.475 -5.015 1.00 0.00 H new ATOM 1155 N ALA A 74 5.842 -2.092 -2.912 1.00 0.00 N ATOM 1156 CA ALA A 74 6.383 -1.323 -1.808 1.00 0.00 C ATOM 1157 C ALA A 74 5.835 0.087 -1.827 1.00 0.00 C ATOM 1158 O ALA A 74 5.608 0.698 -0.789 1.00 0.00 O ATOM 1159 CB ALA A 74 7.899 -1.280 -1.911 1.00 0.00 C ATOM 0 H ALA A 74 6.559 -2.462 -3.536 1.00 0.00 H new ATOM 0 HA ALA A 74 6.092 -1.801 -0.873 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.304 -0.702 -1.081 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.295 -2.295 -1.874 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.187 -0.813 -2.853 1.00 0.00 H new ATOM 1165 N ILE A 75 5.564 0.562 -3.018 1.00 0.00 N ATOM 1166 CA ILE A 75 5.096 1.902 -3.224 1.00 0.00 C ATOM 1167 C ILE A 75 3.649 2.022 -2.769 1.00 0.00 C ATOM 1168 O ILE A 75 3.214 3.074 -2.306 1.00 0.00 O ATOM 1169 CB ILE A 75 5.167 2.304 -4.710 1.00 0.00 C ATOM 1170 CG1 ILE A 75 6.512 1.915 -5.347 1.00 0.00 C ATOM 1171 CG2 ILE A 75 4.935 3.786 -4.847 1.00 0.00 C ATOM 1172 CD1 ILE A 75 7.732 2.474 -4.665 1.00 0.00 C ATOM 0 H ILE A 75 5.665 0.021 -3.877 1.00 0.00 H new ATOM 0 HA ILE A 75 5.740 2.563 -2.644 1.00 0.00 H new ATOM 0 HB ILE A 75 4.386 1.760 -5.242 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.589 0.828 -5.359 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.513 2.246 -6.386 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.986 4.067 -5.899 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.951 4.038 -4.451 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.700 4.327 -4.290 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.627 2.141 -5.191 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.688 3.563 -4.676 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.765 2.123 -3.634 1.00 0.00 H new ATOM 1184 N LYS A 76 2.921 0.916 -2.822 1.00 0.00 N ATOM 1185 CA LYS A 76 1.505 0.946 -2.493 1.00 0.00 C ATOM 1186 C LYS A 76 1.400 1.067 -1.018 1.00 0.00 C ATOM 1187 O LYS A 76 0.618 1.851 -0.483 1.00 0.00 O ATOM 1188 CB LYS A 76 0.803 -0.327 -2.957 1.00 0.00 C ATOM 1189 CG LYS A 76 0.945 -0.626 -4.443 1.00 0.00 C ATOM 1190 CD LYS A 76 0.403 0.509 -5.324 1.00 0.00 C ATOM 1191 CE LYS A 76 -1.091 0.776 -5.102 1.00 0.00 C ATOM 1192 NZ LYS A 76 -1.937 -0.404 -5.391 1.00 0.00 N ATOM 0 H LYS A 76 3.282 -0.001 -3.086 1.00 0.00 H new ATOM 0 HA LYS A 76 1.024 1.785 -2.996 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.198 -1.171 -2.391 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.257 -0.250 -2.715 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.996 -0.794 -4.678 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.414 -1.549 -4.677 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.964 1.421 -5.119 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.571 0.260 -6.372 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.250 1.086 -4.069 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.405 1.605 -5.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.940 -0.141 -5.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.747 -0.739 -6.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.719 -1.162 -4.713 1.00 0.00 H new ATOM 1206 N GLN A 77 2.288 0.341 -0.389 1.00 0.00 N ATOM 1207 CA GLN A 77 2.457 0.295 1.041 1.00 0.00 C ATOM 1208 C GLN A 77 2.698 1.690 1.557 1.00 0.00 C ATOM 1209 O GLN A 77 2.183 2.063 2.601 1.00 0.00 O ATOM 1210 CB GLN A 77 3.671 -0.548 1.343 1.00 0.00 C ATOM 1211 CG GLN A 77 3.590 -1.944 0.758 1.00 0.00 C ATOM 1212 CD GLN A 77 2.785 -2.902 1.602 1.00 0.00 C ATOM 1213 OE1 GLN A 77 1.581 -3.042 1.421 1.00 0.00 O ATOM 1214 NE2 GLN A 77 3.425 -3.544 2.552 1.00 0.00 N ATOM 0 H GLN A 77 2.944 -0.263 -0.884 1.00 0.00 H new ATOM 0 HA GLN A 77 1.568 -0.123 1.513 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.558 -0.049 0.953 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.795 -0.621 2.423 1.00 0.00 H new ATOM 0 HG2 GLN A 77 3.148 -1.888 -0.237 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.599 -2.338 0.637 1.00 0.00 H new ATOM 0 HE21 GLN A 77 4.428 -3.405 2.676 1.00 0.00 H new ATOM 0 HE22 GLN A 77 2.919 -4.182 3.166 1.00 0.00 H new ATOM 1223 N VAL A 78 3.499 2.462 0.808 1.00 0.00 N ATOM 1224 CA VAL A 78 3.793 3.837 1.175 1.00 0.00 C ATOM 1225 C VAL A 78 2.514 4.644 1.218 1.00 0.00 C ATOM 1226 O VAL A 78 2.249 5.328 2.188 1.00 0.00 O ATOM 1227 CB VAL A 78 4.740 4.561 0.186 1.00 0.00 C ATOM 1228 CG1 VAL A 78 5.119 5.920 0.725 1.00 0.00 C ATOM 1229 CG2 VAL A 78 5.965 3.759 -0.111 1.00 0.00 C ATOM 0 H VAL A 78 3.949 2.150 -0.052 1.00 0.00 H new ATOM 0 HA VAL A 78 4.284 3.775 2.146 1.00 0.00 H new ATOM 0 HB VAL A 78 4.199 4.684 -0.752 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.785 6.418 0.020 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.220 6.521 0.862 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.626 5.803 1.683 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.598 4.307 -0.809 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.514 3.578 0.813 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.677 2.806 -0.554 1.00 0.00 H new ATOM 1239 N VAL A 79 1.707 4.513 0.178 1.00 0.00 N ATOM 1240 CA VAL A 79 0.501 5.313 0.038 1.00 0.00 C ATOM 1241 C VAL A 79 -0.443 5.038 1.184 1.00 0.00 C ATOM 1242 O VAL A 79 -0.900 5.964 1.871 1.00 0.00 O ATOM 1243 CB VAL A 79 -0.243 5.023 -1.290 1.00 0.00 C ATOM 1244 CG1 VAL A 79 -1.443 5.955 -1.451 1.00 0.00 C ATOM 1245 CG2 VAL A 79 0.697 5.132 -2.482 1.00 0.00 C ATOM 0 H VAL A 79 1.867 3.856 -0.586 1.00 0.00 H new ATOM 0 HA VAL A 79 0.814 6.357 0.040 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.612 3.998 -1.253 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.951 5.735 -2.390 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -2.133 5.806 -0.621 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.101 6.990 -1.458 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.147 4.923 -3.400 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.111 6.139 -2.528 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.508 4.411 -2.373 1.00 0.00 H new ATOM 1255 N GLU A 80 -0.659 3.763 1.435 1.00 0.00 N ATOM 1256 CA GLU A 80 -1.605 3.316 2.436 1.00 0.00 C ATOM 1257 C GLU A 80 -1.217 3.798 3.834 1.00 0.00 C ATOM 1258 O GLU A 80 -2.067 4.273 4.590 1.00 0.00 O ATOM 1259 CB GLU A 80 -1.766 1.793 2.395 1.00 0.00 C ATOM 1260 CG GLU A 80 -2.177 1.266 1.023 1.00 0.00 C ATOM 1261 CD GLU A 80 -2.479 -0.211 1.013 1.00 0.00 C ATOM 1262 OE1 GLU A 80 -1.554 -1.037 1.140 1.00 0.00 O ATOM 1263 OE2 GLU A 80 -3.661 -0.582 0.853 1.00 0.00 O ATOM 0 H GLU A 80 -0.181 3.005 0.948 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.571 3.762 2.199 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -0.825 1.327 2.689 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.513 1.494 3.130 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -3.057 1.811 0.682 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.379 1.471 0.310 1.00 0.00 H new ATOM 1270 N GLN A 81 0.066 3.740 4.152 1.00 0.00 N ATOM 1271 CA GLN A 81 0.544 4.155 5.469 1.00 0.00 C ATOM 1272 C GLN A 81 0.670 5.684 5.557 1.00 0.00 C ATOM 1273 O GLN A 81 0.533 6.261 6.629 1.00 0.00 O ATOM 1274 CB GLN A 81 1.892 3.487 5.792 1.00 0.00 C ATOM 1275 CG GLN A 81 3.021 3.919 4.867 1.00 0.00 C ATOM 1276 CD GLN A 81 4.309 3.184 5.093 1.00 0.00 C ATOM 1277 OE1 GLN A 81 5.140 3.589 5.885 1.00 0.00 O ATOM 1278 NE2 GLN A 81 4.486 2.118 4.385 1.00 0.00 N ATOM 0 H GLN A 81 0.797 3.411 3.521 1.00 0.00 H new ATOM 0 HA GLN A 81 -0.190 3.833 6.207 1.00 0.00 H new ATOM 0 HB2 GLN A 81 2.167 3.720 6.821 1.00 0.00 H new ATOM 0 HB3 GLN A 81 1.776 2.405 5.730 1.00 0.00 H new ATOM 0 HG2 GLN A 81 2.707 3.772 3.834 1.00 0.00 H new ATOM 0 HG3 GLN A 81 3.196 4.987 4.998 1.00 0.00 H new ATOM 0 HE21 GLN A 81 3.764 1.813 3.733 1.00 0.00 H new ATOM 0 HE22 GLN A 81 5.348 1.581 4.478 1.00 0.00 H new ATOM 1287 N ALA A 82 0.924 6.329 4.444 1.00 0.00 N ATOM 1288 CA ALA A 82 1.103 7.767 4.427 1.00 0.00 C ATOM 1289 C ALA A 82 -0.224 8.490 4.572 1.00 0.00 C ATOM 1290 O ALA A 82 -0.332 9.464 5.323 1.00 0.00 O ATOM 1291 CB ALA A 82 1.819 8.203 3.162 1.00 0.00 C ATOM 0 H ALA A 82 1.012 5.881 3.532 1.00 0.00 H new ATOM 0 HA ALA A 82 1.722 8.036 5.283 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.943 9.286 3.169 1.00 0.00 H new ATOM 0 HB2 ALA A 82 2.798 7.726 3.115 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.231 7.911 2.292 1.00 0.00 H new ATOM 1297 N GLN A 83 -1.241 7.985 3.898 1.00 0.00 N ATOM 1298 CA GLN A 83 -2.550 8.609 3.935 1.00 0.00 C ATOM 1299 C GLN A 83 -3.171 8.438 5.308 1.00 0.00 C ATOM 1300 O GLN A 83 -3.813 9.349 5.827 1.00 0.00 O ATOM 1301 CB GLN A 83 -3.482 8.060 2.829 1.00 0.00 C ATOM 1302 CG GLN A 83 -3.827 6.578 2.942 1.00 0.00 C ATOM 1303 CD GLN A 83 -4.724 6.095 1.821 1.00 0.00 C ATOM 1304 OE1 GLN A 83 -4.684 6.613 0.711 1.00 0.00 O ATOM 1305 NE2 GLN A 83 -5.529 5.104 2.095 1.00 0.00 N ATOM 0 H GLN A 83 -1.186 7.147 3.320 1.00 0.00 H new ATOM 0 HA GLN A 83 -2.420 9.673 3.739 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -4.409 8.634 2.840 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -3.011 8.234 1.861 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -2.906 5.995 2.941 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.318 6.396 3.898 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -5.536 4.696 3.030 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -6.151 4.738 1.374 1.00 0.00 H new ATOM 1314 N LYS A 84 -2.911 7.291 5.920 1.00 0.00 N ATOM 1315 CA LYS A 84 -3.473 6.998 7.214 1.00 0.00 C ATOM 1316 C LYS A 84 -2.821 7.828 8.292 1.00 0.00 C ATOM 1317 O LYS A 84 -3.496 8.314 9.191 1.00 0.00 O ATOM 1318 CB LYS A 84 -3.455 5.464 7.530 1.00 0.00 C ATOM 1319 CG LYS A 84 -2.093 4.770 7.672 1.00 0.00 C ATOM 1320 CD LYS A 84 -1.457 4.982 9.023 1.00 0.00 C ATOM 1321 CE LYS A 84 -0.212 4.133 9.199 1.00 0.00 C ATOM 1322 NZ LYS A 84 0.418 4.348 10.514 1.00 0.00 N ATOM 0 H LYS A 84 -2.316 6.556 5.536 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.525 7.283 7.191 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.007 5.308 8.457 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.008 4.955 6.741 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.217 3.701 7.500 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.421 5.141 6.899 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.199 6.034 9.142 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.176 4.739 9.805 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.472 3.080 9.089 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.503 4.369 8.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.265 3.750 10.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.689 5.347 10.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.255 4.098 11.266 1.00 0.00 H new ATOM 1336 N GLN A 85 -1.519 8.067 8.155 1.00 0.00 N ATOM 1337 CA GLN A 85 -0.800 8.754 9.193 1.00 0.00 C ATOM 1338 C GLN A 85 -1.153 10.225 9.227 1.00 0.00 C ATOM 1339 O GLN A 85 -1.219 10.838 10.292 1.00 0.00 O ATOM 1340 CB GLN A 85 0.709 8.552 9.095 1.00 0.00 C ATOM 1341 CG GLN A 85 1.439 9.310 8.013 1.00 0.00 C ATOM 1342 CD GLN A 85 2.912 9.417 8.335 1.00 0.00 C ATOM 1343 OE1 GLN A 85 3.470 8.562 9.026 1.00 0.00 O ATOM 1344 NE2 GLN A 85 3.553 10.439 7.844 1.00 0.00 N ATOM 0 H GLN A 85 -0.960 7.796 7.346 1.00 0.00 H new ATOM 0 HA GLN A 85 -1.116 8.307 10.136 1.00 0.00 H new ATOM 0 HB2 GLN A 85 1.149 8.825 10.054 1.00 0.00 H new ATOM 0 HB3 GLN A 85 0.898 7.489 8.949 1.00 0.00 H new ATOM 0 HG2 GLN A 85 1.307 8.805 7.056 1.00 0.00 H new ATOM 0 HG3 GLN A 85 1.011 10.307 7.909 1.00 0.00 H new ATOM 0 HE21 GLN A 85 3.058 11.127 7.276 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.550 10.552 8.027 1.00 0.00 H new ATOM 1353 N LEU A 86 -1.402 10.790 8.080 1.00 0.00 N ATOM 1354 CA LEU A 86 -1.750 12.179 8.029 1.00 0.00 C ATOM 1355 C LEU A 86 -3.179 12.410 8.454 1.00 0.00 C ATOM 1356 O LEU A 86 -3.474 13.379 9.180 1.00 0.00 O ATOM 1357 CB LEU A 86 -1.406 12.799 6.670 1.00 0.00 C ATOM 1358 CG LEU A 86 -0.125 13.638 6.646 1.00 0.00 C ATOM 1359 CD1 LEU A 86 -0.313 14.881 7.491 1.00 0.00 C ATOM 1360 CD2 LEU A 86 1.061 12.841 7.165 1.00 0.00 C ATOM 0 H LEU A 86 -1.371 10.316 7.177 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.135 12.707 8.758 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.312 11.999 5.936 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.239 13.426 6.353 1.00 0.00 H new ATOM 0 HG LEU A 86 0.079 13.922 5.613 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.600 15.476 7.472 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.138 15.471 7.092 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.536 14.592 8.518 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.957 13.461 7.137 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.868 12.529 8.191 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.209 11.961 6.540 1.00 0.00 H new ATOM 1372 N GLN A 87 -4.042 11.484 8.087 1.00 0.00 N ATOM 1373 CA GLN A 87 -5.448 11.547 8.429 1.00 0.00 C ATOM 1374 C GLN A 87 -5.642 11.403 9.939 1.00 0.00 C ATOM 1375 O GLN A 87 -6.432 12.129 10.541 1.00 0.00 O ATOM 1376 CB GLN A 87 -6.201 10.452 7.689 1.00 0.00 C ATOM 1377 CG GLN A 87 -7.707 10.456 7.896 1.00 0.00 C ATOM 1378 CD GLN A 87 -8.394 9.326 7.152 1.00 0.00 C ATOM 1379 OE1 GLN A 87 -7.854 8.943 6.024 1.00 0.00 O flip ATOM 1380 NE2 GLN A 87 -9.426 8.812 7.587 1.00 0.00 N flip ATOM 0 H GLN A 87 -3.786 10.662 7.540 1.00 0.00 H new ATOM 0 HA GLN A 87 -5.843 12.518 8.129 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.996 10.547 6.623 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -5.809 9.485 8.004 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -7.925 10.373 8.961 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -8.115 11.410 7.561 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -9.823 9.133 8.470 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -9.884 8.066 7.064 1.00 0.00 H new ATOM 1389 N GLN A 88 -4.873 10.508 10.553 1.00 0.00 N ATOM 1390 CA GLN A 88 -4.995 10.264 11.994 1.00 0.00 C ATOM 1391 C GLN A 88 -4.362 11.407 12.775 1.00 0.00 C ATOM 1392 O GLN A 88 -4.608 11.581 13.972 1.00 0.00 O ATOM 1393 CB GLN A 88 -4.362 8.919 12.401 1.00 0.00 C ATOM 1394 CG GLN A 88 -2.851 8.865 12.257 1.00 0.00 C ATOM 1395 CD GLN A 88 -2.277 7.504 12.569 1.00 0.00 C ATOM 1396 OE1 GLN A 88 -2.136 6.657 11.693 1.00 0.00 O ATOM 1397 NE2 GLN A 88 -1.957 7.272 13.803 1.00 0.00 N ATOM 0 H GLN A 88 -4.165 9.943 10.084 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.057 10.212 12.234 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -4.623 8.708 13.438 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -4.801 8.127 11.794 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -2.578 9.144 11.239 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.402 9.604 12.921 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -2.086 7.997 14.508 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.576 6.364 14.069 1.00 0.00 H new ATOM 1406 N GLY A 89 -3.543 12.173 12.095 1.00 0.00 N ATOM 1407 CA GLY A 89 -2.910 13.289 12.705 1.00 0.00 C ATOM 1408 C GLY A 89 -3.816 14.490 12.709 1.00 0.00 C ATOM 1409 O GLY A 89 -4.271 14.932 13.767 1.00 0.00 O ATOM 0 H GLY A 89 -3.306 12.032 11.113 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.630 13.038 13.728 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.990 13.526 12.171 1.00 0.00 H new ATOM 1413 N GLN A 90 -4.123 14.995 11.525 1.00 0.00 N ATOM 1414 CA GLN A 90 -4.915 16.207 11.401 1.00 0.00 C ATOM 1415 C GLN A 90 -5.603 16.352 10.032 1.00 0.00 C ATOM 1416 O GLN A 90 -6.637 17.001 9.924 1.00 0.00 O ATOM 1417 CB GLN A 90 -4.016 17.403 11.653 1.00 0.00 C ATOM 1418 CG GLN A 90 -2.817 17.486 10.712 1.00 0.00 C ATOM 1419 CD GLN A 90 -1.903 18.662 10.987 1.00 0.00 C ATOM 1420 OE1 GLN A 90 -2.451 19.772 11.426 1.00 0.00 O flip ATOM 1421 NE2 GLN A 90 -0.698 18.571 10.768 1.00 0.00 N flip ATOM 0 H GLN A 90 -3.836 14.584 10.637 1.00 0.00 H new ATOM 0 HA GLN A 90 -5.714 16.151 12.140 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -4.605 18.315 11.556 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -3.656 17.364 12.681 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -2.241 16.564 10.791 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -3.177 17.550 9.685 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -0.306 17.693 10.427 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -0.089 19.374 10.927 1.00 0.00 H new ATOM 1430 N GLY A 91 -5.042 15.752 9.013 1.00 0.00 N ATOM 1431 CA GLY A 91 -5.548 15.916 7.675 1.00 0.00 C ATOM 1432 C GLY A 91 -4.398 15.872 6.726 1.00 0.00 C ATOM 1433 O GLY A 91 -3.769 14.841 6.595 1.00 0.00 O ATOM 0 H GLY A 91 -4.228 15.141 9.086 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.263 15.127 7.441 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.078 16.864 7.584 1.00 0.00 H new ATOM 1437 N GLY A 92 -4.120 16.965 6.042 1.00 0.00 N ATOM 1438 CA GLY A 92 -2.938 17.039 5.226 1.00 0.00 C ATOM 1439 C GLY A 92 -3.064 16.378 3.892 1.00 0.00 C ATOM 1440 O GLY A 92 -2.481 16.845 2.958 1.00 0.00 O ATOM 0 H GLY A 92 -4.697 17.806 6.039 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -2.681 18.087 5.075 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.109 16.582 5.767 1.00 0.00 H new ATOM 1444 N GLN A 93 -3.845 15.314 3.800 1.00 0.00 N ATOM 1445 CA GLN A 93 -4.024 14.530 2.566 1.00 0.00 C ATOM 1446 C GLN A 93 -4.309 15.391 1.336 1.00 0.00 C ATOM 1447 O GLN A 93 -3.893 15.055 0.238 1.00 0.00 O ATOM 1448 CB GLN A 93 -5.127 13.500 2.731 1.00 0.00 C ATOM 1449 CG GLN A 93 -4.801 12.368 3.682 1.00 0.00 C ATOM 1450 CD GLN A 93 -5.938 11.379 3.777 1.00 0.00 C ATOM 1451 OE1 GLN A 93 -5.956 10.418 2.894 1.00 0.00 O flip ATOM 1452 NE2 GLN A 93 -6.814 11.502 4.628 1.00 0.00 N flip ATOM 0 H GLN A 93 -4.386 14.956 4.588 1.00 0.00 H new ATOM 0 HA GLN A 93 -3.072 14.028 2.396 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -6.026 14.005 3.084 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.361 13.079 1.753 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -3.900 11.856 3.344 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -4.586 12.773 4.671 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -6.766 12.266 5.302 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -7.589 10.840 4.661 1.00 0.00 H new ATOM 1461 N GLN A 94 -4.989 16.496 1.536 1.00 0.00 N ATOM 1462 CA GLN A 94 -5.312 17.413 0.451 1.00 0.00 C ATOM 1463 C GLN A 94 -4.065 18.195 -0.017 1.00 0.00 C ATOM 1464 O GLN A 94 -3.864 18.409 -1.210 1.00 0.00 O ATOM 1465 CB GLN A 94 -6.412 18.369 0.893 1.00 0.00 C ATOM 1466 CG GLN A 94 -6.042 19.188 2.114 1.00 0.00 C ATOM 1467 CD GLN A 94 -7.170 20.074 2.579 1.00 0.00 C ATOM 1468 OE1 GLN A 94 -7.997 19.669 3.397 1.00 0.00 O ATOM 1469 NE2 GLN A 94 -7.219 21.266 2.079 1.00 0.00 N ATOM 0 H GLN A 94 -5.336 16.790 2.449 1.00 0.00 H new ATOM 0 HA GLN A 94 -5.668 16.828 -0.397 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.649 19.044 0.070 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -7.315 17.798 1.108 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -5.754 18.517 2.924 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.172 19.803 1.885 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -6.516 21.565 1.404 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -7.961 21.907 2.360 1.00 0.00 H new ATOM 1478 N GLN A 95 -3.215 18.576 0.923 1.00 0.00 N ATOM 1479 CA GLN A 95 -2.035 19.340 0.595 1.00 0.00 C ATOM 1480 C GLN A 95 -0.913 18.400 0.195 1.00 0.00 C ATOM 1481 O GLN A 95 -0.239 18.603 -0.791 1.00 0.00 O ATOM 1482 CB GLN A 95 -1.618 20.275 1.742 1.00 0.00 C ATOM 1483 CG GLN A 95 -1.179 19.620 3.014 1.00 0.00 C ATOM 1484 CD GLN A 95 -0.741 20.625 4.049 1.00 0.00 C ATOM 1485 OE1 GLN A 95 -1.537 21.098 4.858 1.00 0.00 O ATOM 1486 NE2 GLN A 95 0.515 20.979 4.025 1.00 0.00 N ATOM 0 H GLN A 95 -3.325 18.367 1.915 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.266 19.986 -0.252 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.805 20.909 1.387 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -2.458 20.931 1.969 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -1.998 19.022 3.414 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.357 18.936 2.804 1.00 0.00 H new ATOM 0 HE21 GLN A 95 1.148 20.566 3.340 1.00 0.00 H new ATOM 0 HE22 GLN A 95 0.863 21.668 4.691 1.00 0.00 H new ATOM 1495 N VAL A 96 -0.778 17.349 0.970 1.00 0.00 N ATOM 1496 CA VAL A 96 0.171 16.259 0.760 1.00 0.00 C ATOM 1497 C VAL A 96 -0.097 15.548 -0.573 1.00 0.00 C ATOM 1498 O VAL A 96 0.799 14.921 -1.133 1.00 0.00 O ATOM 1499 CB VAL A 96 0.115 15.241 1.957 1.00 0.00 C ATOM 1500 CG1 VAL A 96 1.002 14.037 1.733 1.00 0.00 C ATOM 1501 CG2 VAL A 96 0.492 15.927 3.265 1.00 0.00 C ATOM 0 H VAL A 96 -1.349 17.216 1.805 1.00 0.00 H new ATOM 0 HA VAL A 96 1.174 16.684 0.718 1.00 0.00 H new ATOM 0 HB VAL A 96 -0.913 14.885 2.018 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.927 13.366 2.588 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.684 13.513 0.832 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.036 14.363 1.617 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.447 15.205 4.081 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.504 16.325 3.188 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.205 16.742 3.463 1.00 0.00 H new ATOM 1511 N GLN A 97 -1.330 15.671 -1.074 1.00 0.00 N ATOM 1512 CA GLN A 97 -1.756 15.047 -2.343 1.00 0.00 C ATOM 1513 C GLN A 97 -0.742 15.258 -3.481 1.00 0.00 C ATOM 1514 O GLN A 97 -0.366 14.306 -4.171 1.00 0.00 O ATOM 1515 CB GLN A 97 -3.111 15.581 -2.768 1.00 0.00 C ATOM 1516 CG GLN A 97 -3.604 15.013 -4.077 1.00 0.00 C ATOM 1517 CD GLN A 97 -4.946 15.553 -4.477 1.00 0.00 C ATOM 1518 OE1 GLN A 97 -5.776 15.898 -3.632 1.00 0.00 O ATOM 1519 NE2 GLN A 97 -5.179 15.640 -5.747 1.00 0.00 N ATOM 0 H GLN A 97 -2.067 16.206 -0.614 1.00 0.00 H new ATOM 0 HA GLN A 97 -1.820 13.975 -2.154 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.840 15.359 -1.988 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.054 16.666 -2.852 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -2.880 15.236 -4.860 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -3.663 13.928 -3.997 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -4.469 15.345 -6.417 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -6.073 16.003 -6.078 1.00 0.00 H new ATOM 1528 N GLN A 98 -0.268 16.486 -3.631 1.00 0.00 N ATOM 1529 CA GLN A 98 0.686 16.834 -4.686 1.00 0.00 C ATOM 1530 C GLN A 98 2.026 16.098 -4.532 1.00 0.00 C ATOM 1531 O GLN A 98 2.794 15.989 -5.486 1.00 0.00 O ATOM 1532 CB GLN A 98 0.913 18.348 -4.743 1.00 0.00 C ATOM 1533 CG GLN A 98 1.444 18.947 -3.459 1.00 0.00 C ATOM 1534 CD GLN A 98 1.618 20.440 -3.550 1.00 0.00 C ATOM 1535 OE1 GLN A 98 0.705 21.206 -3.250 1.00 0.00 O ATOM 1536 NE2 GLN A 98 2.777 20.870 -3.955 1.00 0.00 N ATOM 0 H GLN A 98 -0.529 17.269 -3.031 1.00 0.00 H new ATOM 0 HA GLN A 98 0.243 16.508 -5.627 1.00 0.00 H new ATOM 0 HB2 GLN A 98 1.612 18.569 -5.549 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.029 18.836 -4.995 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.761 18.713 -2.643 1.00 0.00 H new ATOM 0 HG3 GLN A 98 2.402 18.487 -3.215 1.00 0.00 H new ATOM 0 HE21 GLN A 98 3.512 20.205 -4.196 1.00 0.00 H new ATOM 0 HE22 GLN A 98 2.951 21.872 -4.032 1.00 0.00 H new ATOM 1545 N MET A 99 2.292 15.586 -3.351 1.00 0.00 N ATOM 1546 CA MET A 99 3.539 14.917 -3.098 1.00 0.00 C ATOM 1547 C MET A 99 3.333 13.432 -3.164 1.00 0.00 C ATOM 1548 O MET A 99 4.084 12.732 -3.809 1.00 0.00 O ATOM 1549 CB MET A 99 4.077 15.301 -1.740 1.00 0.00 C ATOM 1550 CG MET A 99 5.589 15.333 -1.644 1.00 0.00 C ATOM 1551 SD MET A 99 6.348 16.567 -2.720 1.00 0.00 S ATOM 1552 CE MET A 99 8.078 16.373 -2.277 1.00 0.00 C ATOM 0 H MET A 99 1.658 15.623 -2.553 1.00 0.00 H new ATOM 0 HA MET A 99 4.262 15.218 -3.856 1.00 0.00 H new ATOM 0 HB2 MET A 99 3.689 16.285 -1.475 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.694 14.598 -1.000 1.00 0.00 H new ATOM 0 HG2 MET A 99 5.876 15.535 -0.612 1.00 0.00 H new ATOM 0 HG3 MET A 99 5.983 14.349 -1.897 1.00 0.00 H new ATOM 0 HE1 MET A 99 8.683 17.069 -2.858 1.00 0.00 H new ATOM 0 HE2 MET A 99 8.207 16.580 -1.215 1.00 0.00 H new ATOM 0 HE3 MET A 99 8.396 15.352 -2.489 1.00 0.00 H new ATOM 1562 N VAL A 100 2.300 12.956 -2.516 1.00 0.00 N ATOM 1563 CA VAL A 100 2.003 11.526 -2.512 1.00 0.00 C ATOM 1564 C VAL A 100 1.706 10.997 -3.937 1.00 0.00 C ATOM 1565 O VAL A 100 1.961 9.841 -4.242 1.00 0.00 O ATOM 1566 CB VAL A 100 0.871 11.149 -1.505 1.00 0.00 C ATOM 1567 CG1 VAL A 100 -0.413 11.867 -1.821 1.00 0.00 C ATOM 1568 CG2 VAL A 100 0.646 9.649 -1.462 1.00 0.00 C ATOM 0 H VAL A 100 1.645 13.528 -1.982 1.00 0.00 H new ATOM 0 HA VAL A 100 2.905 11.025 -2.161 1.00 0.00 H new ATOM 0 HB VAL A 100 1.201 11.471 -0.518 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.178 11.580 -1.099 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -0.250 12.944 -1.768 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -0.742 11.599 -2.825 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.148 9.420 -0.751 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.360 9.296 -2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 100 1.565 9.152 -1.151 1.00 0.00 H new ATOM 1578 N LYS A 101 1.234 11.868 -4.824 1.00 0.00 N ATOM 1579 CA LYS A 101 0.973 11.477 -6.211 1.00 0.00 C ATOM 1580 C LYS A 101 2.269 11.070 -6.931 1.00 0.00 C ATOM 1581 O LYS A 101 2.250 10.309 -7.894 1.00 0.00 O ATOM 1582 CB LYS A 101 0.212 12.589 -6.964 1.00 0.00 C ATOM 1583 CG LYS A 101 0.967 13.895 -7.249 1.00 0.00 C ATOM 1584 CD LYS A 101 1.892 13.801 -8.468 1.00 0.00 C ATOM 1585 CE LYS A 101 2.519 15.139 -8.810 1.00 0.00 C ATOM 1586 NZ LYS A 101 1.507 16.138 -9.212 1.00 0.00 N ATOM 0 H LYS A 101 1.025 12.844 -4.612 1.00 0.00 H new ATOM 0 HA LYS A 101 0.330 10.597 -6.200 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -0.125 12.180 -7.917 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.681 12.835 -6.389 1.00 0.00 H new ATOM 0 HG2 LYS A 101 0.246 14.697 -7.408 1.00 0.00 H new ATOM 0 HG3 LYS A 101 1.557 14.166 -6.373 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.678 13.072 -8.271 1.00 0.00 H new ATOM 0 HD3 LYS A 101 1.326 13.436 -9.325 1.00 0.00 H new ATOM 0 HE2 LYS A 101 3.073 15.511 -7.948 1.00 0.00 H new ATOM 0 HE3 LYS A 101 3.238 15.006 -9.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 1.976 16.934 -9.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 0.824 15.698 -9.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 1.008 16.486 -8.368 1.00 0.00 H new ATOM 1600 N LYS A 102 3.396 11.566 -6.429 1.00 0.00 N ATOM 1601 CA LYS A 102 4.704 11.248 -6.974 1.00 0.00 C ATOM 1602 C LYS A 102 5.010 9.782 -6.764 1.00 0.00 C ATOM 1603 O LYS A 102 5.770 9.184 -7.518 1.00 0.00 O ATOM 1604 CB LYS A 102 5.743 12.102 -6.295 1.00 0.00 C ATOM 1605 CG LYS A 102 5.554 13.587 -6.549 1.00 0.00 C ATOM 1606 CD LYS A 102 6.307 14.428 -5.537 1.00 0.00 C ATOM 1607 CE LYS A 102 7.802 14.210 -5.574 1.00 0.00 C ATOM 1608 NZ LYS A 102 8.417 14.710 -6.816 1.00 0.00 N ATOM 0 H LYS A 102 3.424 12.201 -5.631 1.00 0.00 H new ATOM 0 HA LYS A 102 4.714 11.452 -8.045 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.712 11.917 -5.221 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.732 11.804 -6.641 1.00 0.00 H new ATOM 0 HG2 LYS A 102 5.899 13.831 -7.554 1.00 0.00 H new ATOM 0 HG3 LYS A 102 4.493 13.831 -6.508 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.096 15.481 -5.721 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.938 14.199 -4.537 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.259 14.709 -4.720 1.00 0.00 H new ATOM 0 HE3 LYS A 102 8.013 13.146 -5.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 9.448 14.582 -6.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.039 14.181 -7.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 8.198 15.720 -6.929 1.00 0.00 H new ATOM 1622 N ALA A 103 4.390 9.208 -5.746 1.00 0.00 N ATOM 1623 CA ALA A 103 4.519 7.783 -5.460 1.00 0.00 C ATOM 1624 C ALA A 103 3.888 6.961 -6.574 1.00 0.00 C ATOM 1625 O ALA A 103 4.331 5.885 -6.878 1.00 0.00 O ATOM 1626 CB ALA A 103 3.888 7.421 -4.127 1.00 0.00 C ATOM 0 H ALA A 103 3.786 9.711 -5.096 1.00 0.00 H new ATOM 0 HA ALA A 103 5.583 7.554 -5.402 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.004 6.352 -3.948 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.379 7.978 -3.329 1.00 0.00 H new ATOM 0 HB3 ALA A 103 2.828 7.673 -4.146 1.00 0.00 H new ATOM 1632 N GLN A 104 2.895 7.510 -7.229 1.00 0.00 N ATOM 1633 CA GLN A 104 2.228 6.800 -8.314 1.00 0.00 C ATOM 1634 C GLN A 104 3.171 6.727 -9.519 1.00 0.00 C ATOM 1635 O GLN A 104 3.096 5.831 -10.358 1.00 0.00 O ATOM 1636 CB GLN A 104 0.937 7.516 -8.684 1.00 0.00 C ATOM 1637 CG GLN A 104 0.000 7.740 -7.503 1.00 0.00 C ATOM 1638 CD GLN A 104 -1.287 8.450 -7.881 1.00 0.00 C ATOM 1639 OE1 GLN A 104 -1.241 9.285 -8.889 1.00 0.00 O flip ATOM 1640 NE2 GLN A 104 -2.327 8.237 -7.263 1.00 0.00 N flip ATOM 0 H GLN A 104 2.526 8.441 -7.038 1.00 0.00 H new ATOM 0 HA GLN A 104 1.978 5.788 -7.996 1.00 0.00 H new ATOM 0 HB2 GLN A 104 1.182 8.480 -9.130 1.00 0.00 H new ATOM 0 HB3 GLN A 104 0.415 6.936 -9.445 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -0.243 6.777 -7.054 1.00 0.00 H new ATOM 0 HG3 GLN A 104 0.519 8.324 -6.743 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -2.331 7.581 -6.482 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -3.187 8.716 -7.531 1.00 0.00 H new ATOM 1649 N MET A 105 4.081 7.670 -9.558 1.00 0.00 N ATOM 1650 CA MET A 105 5.079 7.755 -10.595 1.00 0.00 C ATOM 1651 C MET A 105 6.336 7.028 -10.181 1.00 0.00 C ATOM 1652 O MET A 105 7.231 6.840 -10.976 1.00 0.00 O ATOM 1653 CB MET A 105 5.419 9.188 -10.917 1.00 0.00 C ATOM 1654 CG MET A 105 4.208 10.037 -11.229 1.00 0.00 C ATOM 1655 SD MET A 105 4.629 11.629 -11.979 1.00 0.00 S ATOM 1656 CE MET A 105 5.599 12.390 -10.684 1.00 0.00 C ATOM 0 H MET A 105 4.150 8.410 -8.860 1.00 0.00 H new ATOM 0 HA MET A 105 4.661 7.286 -11.486 1.00 0.00 H new ATOM 0 HB2 MET A 105 5.952 9.625 -10.073 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.098 9.210 -11.769 1.00 0.00 H new ATOM 0 HG2 MET A 105 3.551 9.488 -11.903 1.00 0.00 H new ATOM 0 HG3 MET A 105 3.648 10.212 -10.310 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.058 13.303 -11.062 1.00 0.00 H new ATOM 0 HE2 MET A 105 4.953 12.631 -9.840 1.00 0.00 H new ATOM 0 HE3 MET A 105 6.378 11.700 -10.359 1.00 0.00 H new ATOM 1666 N LEU A 106 6.430 6.687 -8.906 1.00 0.00 N ATOM 1667 CA LEU A 106 7.604 6.016 -8.338 1.00 0.00 C ATOM 1668 C LEU A 106 7.945 4.733 -9.126 1.00 0.00 C ATOM 1669 O LEU A 106 9.111 4.531 -9.474 1.00 0.00 O ATOM 1670 CB LEU A 106 7.393 5.698 -6.848 1.00 0.00 C ATOM 1671 CG LEU A 106 8.518 6.078 -5.875 1.00 0.00 C ATOM 1672 CD1 LEU A 106 9.826 5.387 -6.229 1.00 0.00 C ATOM 1673 CD2 LEU A 106 8.689 7.592 -5.819 1.00 0.00 C ATOM 0 H LEU A 106 5.692 6.866 -8.225 1.00 0.00 H new ATOM 0 HA LEU A 106 8.449 6.700 -8.422 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.483 6.201 -6.522 1.00 0.00 H new ATOM 0 HB3 LEU A 106 7.216 4.627 -6.755 1.00 0.00 H new ATOM 0 HG LEU A 106 8.232 5.730 -4.883 1.00 0.00 H new ATOM 0 HD11 LEU A 106 10.597 5.682 -5.517 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.689 4.306 -6.189 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.130 5.677 -7.235 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.491 7.842 -5.124 1.00 0.00 H new ATOM 0 HD22 LEU A 106 8.939 7.967 -6.812 1.00 0.00 H new ATOM 0 HD23 LEU A 106 7.760 8.051 -5.481 1.00 0.00 H new ATOM 1685 N PRO A 107 6.945 3.844 -9.449 1.00 0.00 N ATOM 1686 CA PRO A 107 7.207 2.679 -10.272 1.00 0.00 C ATOM 1687 C PRO A 107 7.720 3.045 -11.665 1.00 0.00 C ATOM 1688 O PRO A 107 8.465 2.299 -12.257 1.00 0.00 O ATOM 1689 CB PRO A 107 5.863 1.949 -10.339 1.00 0.00 C ATOM 1690 CG PRO A 107 4.850 2.962 -9.966 1.00 0.00 C ATOM 1691 CD PRO A 107 5.529 3.859 -8.991 1.00 0.00 C ATOM 0 HA PRO A 107 7.998 2.060 -9.848 1.00 0.00 H new ATOM 0 HB2 PRO A 107 5.678 1.557 -11.339 1.00 0.00 H new ATOM 0 HB3 PRO A 107 5.842 1.101 -9.655 1.00 0.00 H new ATOM 0 HG2 PRO A 107 4.509 3.517 -10.840 1.00 0.00 H new ATOM 0 HG3 PRO A 107 3.971 2.494 -9.523 1.00 0.00 H new ATOM 0 HD2 PRO A 107 5.110 4.865 -9.009 1.00 0.00 H new ATOM 0 HD3 PRO A 107 5.432 3.492 -7.969 1.00 0.00 H new ATOM 1699 N ASN A 108 7.370 4.209 -12.148 1.00 0.00 N ATOM 1700 CA ASN A 108 7.819 4.659 -13.425 1.00 0.00 C ATOM 1701 C ASN A 108 9.263 5.154 -13.309 1.00 0.00 C ATOM 1702 O ASN A 108 10.141 4.750 -14.081 1.00 0.00 O ATOM 1703 CB ASN A 108 6.903 5.781 -13.891 1.00 0.00 C ATOM 1704 CG ASN A 108 5.478 5.342 -14.163 1.00 0.00 C ATOM 1705 OD1 ASN A 108 4.637 5.330 -13.258 1.00 0.00 O ATOM 1706 ND2 ASN A 108 5.184 5.008 -15.392 1.00 0.00 N ATOM 0 H ASN A 108 6.764 4.868 -11.660 1.00 0.00 H new ATOM 0 HA ASN A 108 7.790 3.846 -14.150 1.00 0.00 H new ATOM 0 HB2 ASN A 108 6.892 6.565 -13.134 1.00 0.00 H new ATOM 0 HB3 ASN A 108 7.316 6.220 -14.799 1.00 0.00 H new ATOM 0 HD21 ASN A 108 4.233 4.725 -15.630 1.00 0.00 H new ATOM 0 HD22 ASN A 108 5.905 5.030 -16.113 1.00 0.00 H new ATOM 1713 N GLN A 109 9.505 5.965 -12.284 1.00 0.00 N ATOM 1714 CA GLN A 109 10.813 6.583 -12.020 1.00 0.00 C ATOM 1715 C GLN A 109 11.886 5.554 -11.689 1.00 0.00 C ATOM 1716 O GLN A 109 12.981 5.585 -12.234 1.00 0.00 O ATOM 1717 CB GLN A 109 10.716 7.556 -10.847 1.00 0.00 C ATOM 1718 CG GLN A 109 9.816 8.747 -11.067 1.00 0.00 C ATOM 1719 CD GLN A 109 9.694 9.588 -9.821 1.00 0.00 C ATOM 1720 OE1 GLN A 109 8.716 9.291 -9.002 1.00 0.00 O flip ATOM 1721 NE2 GLN A 109 10.480 10.502 -9.589 1.00 0.00 N flip ATOM 0 H GLN A 109 8.792 6.219 -11.600 1.00 0.00 H new ATOM 0 HA GLN A 109 11.095 7.104 -12.935 1.00 0.00 H new ATOM 0 HB2 GLN A 109 10.361 7.010 -9.973 1.00 0.00 H new ATOM 0 HB3 GLN A 109 11.717 7.917 -10.613 1.00 0.00 H new ATOM 0 HG2 GLN A 109 10.210 9.356 -11.881 1.00 0.00 H new ATOM 0 HG3 GLN A 109 8.828 8.405 -11.374 1.00 0.00 H new ATOM 0 HE21 GLN A 109 11.231 10.708 -10.247 1.00 0.00 H new ATOM 0 HE22 GLN A 109 10.382 11.055 -8.738 1.00 0.00 H new ATOM 1730 N CYS A 110 11.561 4.649 -10.797 1.00 0.00 N ATOM 1731 CA CYS A 110 12.525 3.661 -10.316 1.00 0.00 C ATOM 1732 C CYS A 110 12.577 2.480 -11.282 1.00 0.00 C ATOM 1733 O CYS A 110 13.382 1.567 -11.127 1.00 0.00 O ATOM 1734 CB CYS A 110 12.114 3.210 -8.902 1.00 0.00 C ATOM 1735 SG CYS A 110 13.391 2.326 -7.909 1.00 0.00 S ATOM 0 H CYS A 110 10.633 4.568 -10.381 1.00 0.00 H new ATOM 0 HA CYS A 110 13.523 4.098 -10.267 1.00 0.00 H new ATOM 0 HB2 CYS A 110 11.798 4.091 -8.343 1.00 0.00 H new ATOM 0 HB3 CYS A 110 11.243 2.560 -8.992 1.00 0.00 H new ATOM 1740 N ASN A 111 11.714 2.546 -12.297 1.00 0.00 N ATOM 1741 CA ASN A 111 11.559 1.531 -13.338 1.00 0.00 C ATOM 1742 C ASN A 111 11.207 0.185 -12.728 1.00 0.00 C ATOM 1743 O ASN A 111 12.002 -0.775 -12.693 1.00 0.00 O ATOM 1744 CB ASN A 111 12.759 1.447 -14.292 1.00 0.00 C ATOM 1745 CG ASN A 111 12.430 0.655 -15.548 1.00 0.00 C ATOM 1746 OD1 ASN A 111 11.947 1.224 -16.531 1.00 0.00 O ATOM 1747 ND2 ASN A 111 12.711 -0.617 -15.551 1.00 0.00 N ATOM 0 H ASN A 111 11.081 3.337 -12.420 1.00 0.00 H new ATOM 0 HA ASN A 111 10.724 1.845 -13.964 1.00 0.00 H new ATOM 0 HB2 ASN A 111 13.074 2.453 -14.569 1.00 0.00 H new ATOM 0 HB3 ASN A 111 13.599 0.980 -13.778 1.00 0.00 H new ATOM 0 HD21 ASN A 111 12.533 -1.177 -16.385 1.00 0.00 H new ATOM 0 HD22 ASN A 111 13.110 -1.053 -14.720 1.00 0.00 H new ATOM 1754 N LEU A 112 10.064 0.186 -12.131 1.00 0.00 N ATOM 1755 CA LEU A 112 9.492 -0.959 -11.482 1.00 0.00 C ATOM 1756 C LEU A 112 8.430 -1.567 -12.392 1.00 0.00 C ATOM 1757 O LEU A 112 7.914 -0.887 -13.275 1.00 0.00 O ATOM 1758 CB LEU A 112 8.886 -0.519 -10.142 1.00 0.00 C ATOM 1759 CG LEU A 112 9.820 0.347 -9.277 1.00 0.00 C ATOM 1760 CD1 LEU A 112 9.198 0.737 -7.934 1.00 0.00 C ATOM 1761 CD2 LEU A 112 11.171 -0.331 -9.101 1.00 0.00 C ATOM 0 H LEU A 112 9.473 1.016 -12.076 1.00 0.00 H new ATOM 0 HA LEU A 112 10.254 -1.714 -11.288 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.970 0.039 -10.337 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.605 -1.406 -9.575 1.00 0.00 H new ATOM 0 HG LEU A 112 9.976 1.283 -9.813 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.904 1.346 -7.369 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.285 1.306 -8.108 1.00 0.00 H new ATOM 0 HD13 LEU A 112 8.962 -0.164 -7.367 1.00 0.00 H new ATOM 0 HD21 LEU A 112 11.816 0.297 -8.487 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.033 -1.296 -8.613 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.633 -0.481 -10.077 1.00 0.00 H new ATOM 1773 N GLN A 113 8.115 -2.834 -12.178 1.00 0.00 N ATOM 1774 CA GLN A 113 7.148 -3.614 -13.007 1.00 0.00 C ATOM 1775 C GLN A 113 5.691 -3.207 -12.768 1.00 0.00 C ATOM 1776 O GLN A 113 4.788 -4.063 -12.694 1.00 0.00 O ATOM 1777 CB GLN A 113 7.304 -5.078 -12.679 1.00 0.00 C ATOM 1778 CG GLN A 113 8.690 -5.583 -12.888 1.00 0.00 C ATOM 1779 CD GLN A 113 8.879 -7.031 -12.469 1.00 0.00 C ATOM 1780 OE1 GLN A 113 9.963 -7.426 -12.081 1.00 0.00 O ATOM 1781 NE2 GLN A 113 7.839 -7.829 -12.524 1.00 0.00 N ATOM 0 H GLN A 113 8.519 -3.378 -11.416 1.00 0.00 H new ATOM 0 HA GLN A 113 7.374 -3.408 -14.053 1.00 0.00 H new ATOM 0 HB2 GLN A 113 7.017 -5.243 -11.641 1.00 0.00 H new ATOM 0 HB3 GLN A 113 6.617 -5.657 -13.296 1.00 0.00 H new ATOM 0 HG2 GLN A 113 8.950 -5.481 -13.942 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.384 -4.957 -12.327 1.00 0.00 H new ATOM 0 HE21 GLN A 113 6.941 -7.474 -12.853 1.00 0.00 H new ATOM 0 HE22 GLN A 113 7.929 -8.804 -12.238 1.00 0.00 H new ATOM 1790 N CYS A 114 5.462 -1.941 -12.721 1.00 0.00 N ATOM 1791 CA CYS A 114 4.183 -1.382 -12.418 1.00 0.00 C ATOM 1792 C CYS A 114 4.150 0.046 -12.911 1.00 0.00 C ATOM 1793 O CYS A 114 5.198 0.678 -13.036 1.00 0.00 O ATOM 1794 CB CYS A 114 3.990 -1.382 -10.911 1.00 0.00 C ATOM 1795 SG CYS A 114 3.689 -2.996 -10.095 1.00 0.00 S ATOM 0 H CYS A 114 6.181 -1.240 -12.898 1.00 0.00 H new ATOM 0 HA CYS A 114 3.396 -1.966 -12.896 1.00 0.00 H new ATOM 0 HB2 CYS A 114 4.876 -0.937 -10.459 1.00 0.00 H new ATOM 0 HB3 CYS A 114 3.150 -0.727 -10.680 1.00 0.00 H new ATOM 1800 N SER A 115 2.993 0.529 -13.239 1.00 0.00 N ATOM 1801 CA SER A 115 2.792 1.903 -13.636 1.00 0.00 C ATOM 1802 C SER A 115 1.374 2.301 -13.260 1.00 0.00 C ATOM 1803 O SER A 115 0.420 1.719 -13.763 1.00 0.00 O ATOM 1804 CB SER A 115 3.030 2.056 -15.143 1.00 0.00 C ATOM 1805 OG SER A 115 4.355 1.643 -15.480 1.00 0.00 O ATOM 0 H SER A 115 2.138 -0.027 -13.241 1.00 0.00 H new ATOM 0 HA SER A 115 3.500 2.556 -13.126 1.00 0.00 H new ATOM 0 HB2 SER A 115 2.304 1.459 -15.695 1.00 0.00 H new ATOM 0 HB3 SER A 115 2.879 3.094 -15.438 1.00 0.00 H new ATOM 0 HG SER A 115 4.841 1.404 -14.663 1.00 0.00 H new ATOM 1811 N ILE A 116 1.226 3.230 -12.348 1.00 0.00 N ATOM 1812 CA ILE A 116 -0.074 3.619 -11.903 1.00 0.00 C ATOM 1813 C ILE A 116 -0.385 5.067 -12.215 1.00 0.00 C ATOM 1814 O ILE A 116 -1.037 5.324 -13.237 1.00 0.00 O ATOM 1815 CB ILE A 116 -0.323 3.279 -10.429 1.00 0.00 C ATOM 1816 CG1 ILE A 116 0.879 3.627 -9.557 1.00 0.00 C ATOM 1817 CG2 ILE A 116 -0.724 1.810 -10.276 1.00 0.00 C ATOM 1818 CD1 ILE A 116 0.656 3.324 -8.113 1.00 0.00 C ATOM 1819 OXT ILE A 116 0.038 5.968 -11.479 1.00 0.00 O ATOM 0 H ILE A 116 1.997 3.728 -11.903 1.00 0.00 H new ATOM 0 HA ILE A 116 -0.778 3.019 -12.479 1.00 0.00 H new ATOM 0 HB ILE A 116 -1.153 3.894 -10.080 1.00 0.00 H new ATOM 0 HG12 ILE A 116 1.749 3.073 -9.909 1.00 0.00 H new ATOM 0 HG13 ILE A 116 1.108 4.687 -9.669 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -0.896 1.588 -9.223 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -1.637 1.621 -10.841 1.00 0.00 H new ATOM 0 HG23 ILE A 116 0.075 1.173 -10.655 1.00 0.00 H new ATOM 0 HD11 ILE A 116 1.546 3.593 -7.543 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -0.196 3.898 -7.748 1.00 0.00 H new ATOM 0 HD13 ILE A 116 0.455 2.260 -7.991 1.00 0.00 H new