USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=21 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 : amide:sc= 0 X(o=-0.079,f=-0.079) USER MOD Set 1.2: A 93 GLN : amide:sc= -0.0788 X(o=-0.079,f=-0.53) USER MOD Set 2.1: A 61 ASN :FLIP amide:sc= 0.0029 X(o=-1.8,f=-1.8) USER MOD Set 2.2: A 64 GLN :FLIP amide:sc= -1.82! C(o=-2.3!,f=-1.8!) USER MOD Set 3.1: A 31 HIS :FLIP no HD1:sc= -0.189 F(o=-1.1,f=-0.49) USER MOD Set 3.2: A 35 HIS :FLIP no HD1:sc= -0.251 F(o=-2.2,f=-0.49) USER MOD Set 3.3: A 55 HIS : no HD1:sc= -0.0501 K(o=-0.49,f=-6.1!) USER MOD Set 4.1: A 33 GLN :FLIP amide:sc= -0.959 F(o=-3.5!,f=-0.98) USER MOD Set 4.2: A 85 GLN : amide:sc= -0.0243 K(o=-0.98,f=-3.5) USER MOD Set 5.1: A 30 ASN : amide:sc= -0.0251 K(o=-0.28,f=-4.2) USER MOD Set 5.2: A 34 MET CE :methyl 146:sc= -0.257 (180deg=-0.666) USER MOD Set 6.1: A 28 GLN : amide:sc= -1.65 K(o=-2.3,f=-4.7!) USER MOD Set 6.2: A 62 GLN : amide:sc= -0.632 K(o=-2.3,f=-3.7) USER MOD Single : A 4 THR OG1 : rot 160:sc= 0.902 USER MOD Single : A 5 LYS NZ :NH3+ 160:sc= -0.0645 (180deg=-0.518) USER MOD Single : A 6 SER OG : rot -92:sc= 0.0782 USER MOD Single : A 23 GLN :FLIP amide:sc= 0 F(o=-0.7,f=0) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 37 THR OG1 : rot -78:sc= 0.992 USER MOD Single : A 38 SER OG : rot 86:sc= 0.548 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 71 GLN :FLIP amide:sc= -4.51! C(o=-6!,f=-4.5!) USER MOD Single : A 76 LYS NZ :NH3+ 137:sc= 1.2 (180deg=0.925) USER MOD Single : A 77 GLN :FLIP amide:sc= -3! C(o=-3.8!,f=-3!) USER MOD Single : A 81 GLN : amide:sc= -1.01 X(o=-1,f=-1.4) USER MOD Single : A 83 GLN : amide:sc= -1.17 K(o=-1.2,f=-4.2!) USER MOD Single : A 84 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0116) USER MOD Single : A 88 GLN : amide:sc= 0.928 K(o=0.93,f=0) USER MOD Single : A 90 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= -0.0754 K(o=-0.075,f=-0.67) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) 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+ -152:sc= 1.29 (180deg=0.974) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN :FLIP amide:sc= -0.0097 F(o=-1.1,f=-0.0097) USER MOD Single : A 105 MET CE :methyl 162:sc= -0.128 (180deg=-0.57) USER MOD Single : A 108 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 109 GLN : amide:sc= -0.184 K(o=-0.18,f=-1.8!) USER MOD Single : A 111 ASN : amide:sc=-0.000849 X(o=-0.00085,f=0) USER MOD Single : A 113 GLN : amide:sc= -0.0434 X(o=-0.043,f=0) USER MOD Single : A 115 SER OG : rot 33:sc=0.000864 USER MOD ----------------------------------------------------------------- ATOM 34 N CYS A 3 7.479 -24.640 -4.037 1.00 0.00 N ATOM 35 CA CYS A 3 7.977 -25.618 -3.117 1.00 0.00 C ATOM 36 C CYS A 3 7.206 -26.905 -3.271 1.00 0.00 C ATOM 37 O CYS A 3 6.043 -26.894 -3.665 1.00 0.00 O ATOM 38 CB CYS A 3 7.880 -25.103 -1.693 1.00 0.00 C ATOM 39 SG CYS A 3 8.751 -23.522 -1.408 1.00 0.00 S ATOM 0 HA CYS A 3 9.027 -25.810 -3.338 1.00 0.00 H new ATOM 0 HB2 CYS A 3 6.829 -24.977 -1.435 1.00 0.00 H new ATOM 0 HB3 CYS A 3 8.286 -25.856 -1.018 1.00 0.00 H new ATOM 44 N THR A 4 7.855 -27.998 -3.017 1.00 0.00 N ATOM 45 CA THR A 4 7.246 -29.295 -3.104 1.00 0.00 C ATOM 46 C THR A 4 6.524 -29.605 -1.789 1.00 0.00 C ATOM 47 O THR A 4 6.852 -29.011 -0.742 1.00 0.00 O ATOM 48 CB THR A 4 8.340 -30.369 -3.350 1.00 0.00 C ATOM 49 OG1 THR A 4 9.297 -30.354 -2.273 1.00 0.00 O ATOM 50 CG2 THR A 4 9.085 -30.109 -4.651 1.00 0.00 C ATOM 0 H THR A 4 8.836 -28.018 -2.739 1.00 0.00 H new ATOM 0 HA THR A 4 6.533 -29.305 -3.929 1.00 0.00 H new ATOM 0 HB THR A 4 7.842 -31.337 -3.406 1.00 0.00 H new ATOM 0 HG1 THR A 4 9.781 -31.206 -2.253 1.00 0.00 H new ATOM 0 HG21 THR A 4 9.844 -30.878 -4.795 1.00 0.00 H new ATOM 0 HG22 THR A 4 8.382 -30.132 -5.484 1.00 0.00 H new ATOM 0 HG23 THR A 4 9.563 -29.130 -4.607 1.00 0.00 H new ATOM 58 N LYS A 5 5.539 -30.489 -1.822 1.00 0.00 N ATOM 59 CA LYS A 5 4.892 -30.929 -0.598 1.00 0.00 C ATOM 60 C LYS A 5 5.746 -31.971 0.079 1.00 0.00 C ATOM 61 O LYS A 5 5.500 -33.176 -0.007 1.00 0.00 O ATOM 62 CB LYS A 5 3.449 -31.438 -0.800 1.00 0.00 C ATOM 63 CG LYS A 5 2.377 -30.351 -0.884 1.00 0.00 C ATOM 64 CD LYS A 5 2.526 -29.437 -2.086 1.00 0.00 C ATOM 65 CE LYS A 5 1.532 -28.291 -2.008 1.00 0.00 C ATOM 66 NZ LYS A 5 1.804 -27.406 -0.849 1.00 0.00 N ATOM 0 H LYS A 5 5.173 -30.912 -2.675 1.00 0.00 H new ATOM 0 HA LYS A 5 4.798 -30.052 0.043 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.415 -32.030 -1.715 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.199 -32.108 0.023 1.00 0.00 H new ATOM 0 HG2 LYS A 5 1.395 -30.823 -0.918 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.410 -29.750 0.025 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.542 -29.043 -2.128 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.366 -30.003 -3.003 1.00 0.00 H new ATOM 0 HE2 LYS A 5 1.575 -27.709 -2.928 1.00 0.00 H new ATOM 0 HE3 LYS A 5 0.521 -28.691 -1.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 1.353 -26.482 -1.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 1.419 -27.838 0.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 2.831 -27.277 -0.744 1.00 0.00 H new ATOM 80 N SER A 6 6.790 -31.497 0.661 1.00 0.00 N ATOM 81 CA SER A 6 7.743 -32.296 1.341 1.00 0.00 C ATOM 82 C SER A 6 8.087 -31.588 2.622 1.00 0.00 C ATOM 83 O SER A 6 7.854 -30.385 2.743 1.00 0.00 O ATOM 84 CB SER A 6 8.986 -32.455 0.446 1.00 0.00 C ATOM 85 OG SER A 6 10.008 -33.230 1.052 1.00 0.00 O ATOM 0 H SER A 6 7.011 -30.501 0.676 1.00 0.00 H new ATOM 0 HA SER A 6 7.355 -33.290 1.564 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.693 -32.921 -0.495 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.381 -31.469 0.203 1.00 0.00 H new ATOM 0 HG SER A 6 10.627 -32.639 1.529 1.00 0.00 H new ATOM 91 N ILE A 7 8.573 -32.315 3.576 1.00 0.00 N ATOM 92 CA ILE A 7 9.008 -31.750 4.828 1.00 0.00 C ATOM 93 C ILE A 7 10.425 -32.239 5.123 1.00 0.00 C ATOM 94 O ILE A 7 10.627 -33.433 5.356 1.00 0.00 O ATOM 95 CB ILE A 7 8.056 -32.133 6.008 1.00 0.00 C ATOM 96 CG1 ILE A 7 6.627 -31.591 5.768 1.00 0.00 C ATOM 97 CG2 ILE A 7 8.607 -31.623 7.348 1.00 0.00 C ATOM 98 CD1 ILE A 7 6.512 -30.071 5.765 1.00 0.00 C ATOM 0 H ILE A 7 8.683 -33.327 3.515 1.00 0.00 H new ATOM 0 HA ILE A 7 8.989 -30.664 4.739 1.00 0.00 H new ATOM 0 HB ILE A 7 8.005 -33.221 6.052 1.00 0.00 H new ATOM 0 HG12 ILE A 7 6.265 -31.971 4.812 1.00 0.00 H new ATOM 0 HG13 ILE A 7 5.968 -31.990 6.539 1.00 0.00 H new ATOM 0 HG21 ILE A 7 7.926 -31.903 8.152 1.00 0.00 H new ATOM 0 HG22 ILE A 7 9.586 -32.066 7.531 1.00 0.00 H new ATOM 0 HG23 ILE A 7 8.701 -30.538 7.313 1.00 0.00 H new ATOM 0 HD11 ILE A 7 5.475 -29.785 5.590 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.838 -29.680 6.728 1.00 0.00 H new ATOM 0 HD13 ILE A 7 7.140 -29.660 4.975 1.00 0.00 H new ATOM 110 N PRO A 8 11.440 -31.367 5.047 1.00 0.00 N ATOM 111 CA PRO A 8 11.295 -29.962 4.624 1.00 0.00 C ATOM 112 C PRO A 8 11.072 -29.855 3.104 1.00 0.00 C ATOM 113 O PRO A 8 11.518 -30.736 2.332 1.00 0.00 O ATOM 114 CB PRO A 8 12.641 -29.327 5.017 1.00 0.00 C ATOM 115 CG PRO A 8 13.294 -30.331 5.898 1.00 0.00 C ATOM 116 CD PRO A 8 12.821 -31.660 5.409 1.00 0.00 C ATOM 0 HA PRO A 8 10.437 -29.474 5.085 1.00 0.00 H new ATOM 0 HB2 PRO A 8 13.250 -29.117 4.138 1.00 0.00 H new ATOM 0 HB3 PRO A 8 12.495 -28.380 5.537 1.00 0.00 H new ATOM 0 HG2 PRO A 8 14.380 -30.256 5.841 1.00 0.00 H new ATOM 0 HG3 PRO A 8 13.018 -30.176 6.941 1.00 0.00 H new ATOM 0 HD2 PRO A 8 13.402 -32.013 4.557 1.00 0.00 H new ATOM 0 HD3 PRO A 8 12.888 -32.427 6.180 1.00 0.00 H new ATOM 124 N PRO A 9 10.360 -28.815 2.657 1.00 0.00 N ATOM 125 CA PRO A 9 10.004 -28.648 1.250 1.00 0.00 C ATOM 126 C PRO A 9 11.197 -28.308 0.366 1.00 0.00 C ATOM 127 O PRO A 9 12.175 -27.700 0.816 1.00 0.00 O ATOM 128 CB PRO A 9 9.026 -27.474 1.268 1.00 0.00 C ATOM 129 CG PRO A 9 9.401 -26.698 2.472 1.00 0.00 C ATOM 130 CD PRO A 9 9.832 -27.710 3.488 1.00 0.00 C ATOM 0 HA PRO A 9 9.597 -29.570 0.835 1.00 0.00 H new ATOM 0 HB2 PRO A 9 9.113 -26.871 0.364 1.00 0.00 H new ATOM 0 HB3 PRO A 9 7.993 -27.818 1.323 1.00 0.00 H new ATOM 0 HG2 PRO A 9 10.206 -25.997 2.251 1.00 0.00 H new ATOM 0 HG3 PRO A 9 8.559 -26.111 2.837 1.00 0.00 H new ATOM 0 HD2 PRO A 9 10.593 -27.310 4.158 1.00 0.00 H new ATOM 0 HD3 PRO A 9 8.999 -28.036 4.111 1.00 0.00 H new ATOM 138 N ILE A 10 11.122 -28.708 -0.874 1.00 0.00 N ATOM 139 CA ILE A 10 12.139 -28.382 -1.837 1.00 0.00 C ATOM 140 C ILE A 10 11.636 -27.185 -2.589 1.00 0.00 C ATOM 141 O ILE A 10 10.608 -27.269 -3.260 1.00 0.00 O ATOM 142 CB ILE A 10 12.382 -29.547 -2.841 1.00 0.00 C ATOM 143 CG1 ILE A 10 12.701 -30.856 -2.097 1.00 0.00 C ATOM 144 CG2 ILE A 10 13.495 -29.200 -3.833 1.00 0.00 C ATOM 145 CD1 ILE A 10 13.900 -30.774 -1.185 1.00 0.00 C ATOM 0 H ILE A 10 10.355 -29.269 -1.245 1.00 0.00 H new ATOM 0 HA ILE A 10 13.085 -28.193 -1.329 1.00 0.00 H new ATOM 0 HB ILE A 10 11.463 -29.694 -3.408 1.00 0.00 H new ATOM 0 HG12 ILE A 10 11.831 -31.148 -1.509 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.869 -31.645 -2.830 1.00 0.00 H new ATOM 0 HG21 ILE A 10 13.642 -30.033 -4.521 1.00 0.00 H new ATOM 0 HG22 ILE A 10 13.216 -28.309 -4.396 1.00 0.00 H new ATOM 0 HG23 ILE A 10 14.421 -29.011 -3.290 1.00 0.00 H new ATOM 0 HD11 ILE A 10 14.055 -31.738 -0.700 1.00 0.00 H new ATOM 0 HD12 ILE A 10 14.784 -30.515 -1.768 1.00 0.00 H new ATOM 0 HD13 ILE A 10 13.729 -30.010 -0.427 1.00 0.00 H new ATOM 157 N CYS A 11 12.288 -26.084 -2.446 1.00 0.00 N ATOM 158 CA CYS A 11 11.832 -24.890 -3.078 1.00 0.00 C ATOM 159 C CYS A 11 12.701 -24.520 -4.255 1.00 0.00 C ATOM 160 O CYS A 11 13.928 -24.493 -4.160 1.00 0.00 O ATOM 161 CB CYS A 11 11.731 -23.751 -2.072 1.00 0.00 C ATOM 162 SG CYS A 11 10.572 -24.077 -0.688 1.00 0.00 S ATOM 0 H CYS A 11 13.141 -25.983 -1.896 1.00 0.00 H new ATOM 0 HA CYS A 11 10.832 -25.078 -3.469 1.00 0.00 H new ATOM 0 HB2 CYS A 11 12.722 -23.552 -1.663 1.00 0.00 H new ATOM 0 HB3 CYS A 11 11.414 -22.847 -2.593 1.00 0.00 H new ATOM 310 N CYS A 22 2.985 -9.958 -1.973 1.00 0.00 N ATOM 311 CA CYS A 22 4.200 -9.265 -1.725 1.00 0.00 C ATOM 312 C CYS A 22 4.206 -8.667 -0.338 1.00 0.00 C ATOM 313 O CYS A 22 3.421 -7.775 -0.030 1.00 0.00 O ATOM 314 CB CYS A 22 4.406 -8.190 -2.750 1.00 0.00 C ATOM 315 SG CYS A 22 5.026 -8.782 -4.350 1.00 0.00 S ATOM 0 HA CYS A 22 5.019 -9.981 -1.794 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.460 -7.673 -2.910 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.107 -7.456 -2.352 1.00 0.00 H new ATOM 320 N GLN A 23 5.060 -9.163 0.498 1.00 0.00 N ATOM 321 CA GLN A 23 5.176 -8.645 1.818 1.00 0.00 C ATOM 322 C GLN A 23 6.449 -7.846 1.918 1.00 0.00 C ATOM 323 O GLN A 23 7.555 -8.374 1.821 1.00 0.00 O ATOM 324 CB GLN A 23 5.065 -9.753 2.880 1.00 0.00 C ATOM 325 CG GLN A 23 6.098 -10.861 2.775 1.00 0.00 C ATOM 326 CD GLN A 23 5.831 -12.020 3.718 1.00 0.00 C ATOM 327 OE1 GLN A 23 5.202 -11.762 4.825 1.00 0.00 O flip ATOM 328 NE2 GLN A 23 6.195 -13.156 3.441 1.00 0.00 N flip ATOM 0 H GLN A 23 5.692 -9.934 0.285 1.00 0.00 H new ATOM 0 HA GLN A 23 4.341 -7.976 2.025 1.00 0.00 H new ATOM 0 HB2 GLN A 23 5.145 -9.297 3.867 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.072 -10.198 2.814 1.00 0.00 H new ATOM 0 HG2 GLN A 23 6.120 -11.232 1.750 1.00 0.00 H new ATOM 0 HG3 GLN A 23 7.085 -10.450 2.986 1.00 0.00 H new ATOM 0 HE21 GLN A 23 6.687 -13.335 2.566 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.006 -13.924 4.086 1.00 0.00 H new ATOM 337 N ILE A 24 6.298 -6.572 2.027 1.00 0.00 N ATOM 338 CA ILE A 24 7.429 -5.695 2.070 1.00 0.00 C ATOM 339 C ILE A 24 7.454 -5.041 3.433 1.00 0.00 C ATOM 340 O ILE A 24 6.384 -4.742 4.002 1.00 0.00 O ATOM 341 CB ILE A 24 7.387 -4.561 0.975 1.00 0.00 C ATOM 342 CG1 ILE A 24 7.006 -5.066 -0.428 1.00 0.00 C ATOM 343 CG2 ILE A 24 8.715 -3.844 0.895 1.00 0.00 C ATOM 344 CD1 ILE A 24 5.524 -5.260 -0.639 1.00 0.00 C ATOM 0 H ILE A 24 5.394 -6.104 2.089 1.00 0.00 H new ATOM 0 HA ILE A 24 8.318 -6.294 1.873 1.00 0.00 H new ATOM 0 HB ILE A 24 6.602 -3.877 1.298 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.377 -4.358 -1.169 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.514 -6.013 -0.610 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.663 -3.066 0.133 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.943 -3.392 1.860 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.498 -4.556 0.634 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.345 -5.617 -1.653 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.148 -5.992 0.075 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.008 -4.311 -0.492 1.00 0.00 H new ATOM 356 N ARG A 25 8.624 -4.827 3.963 1.00 0.00 N ATOM 357 CA ARG A 25 8.772 -4.178 5.229 1.00 0.00 C ATOM 358 C ARG A 25 8.440 -2.698 5.097 1.00 0.00 C ATOM 359 O ARG A 25 9.045 -1.990 4.311 1.00 0.00 O ATOM 360 CB ARG A 25 10.179 -4.419 5.795 1.00 0.00 C ATOM 361 CG ARG A 25 11.340 -3.982 4.927 1.00 0.00 C ATOM 362 CD ARG A 25 12.645 -4.462 5.523 1.00 0.00 C ATOM 363 NE ARG A 25 13.789 -4.125 4.688 1.00 0.00 N ATOM 364 CZ ARG A 25 14.998 -3.782 5.147 1.00 0.00 C ATOM 365 NH1 ARG A 25 15.280 -3.865 6.446 1.00 0.00 N ATOM 366 NH2 ARG A 25 15.933 -3.422 4.303 1.00 0.00 N ATOM 0 H ARG A 25 9.504 -5.100 3.526 1.00 0.00 H new ATOM 0 HA ARG A 25 8.068 -4.606 5.943 1.00 0.00 H new ATOM 0 HB2 ARG A 25 10.255 -3.902 6.752 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.287 -5.484 5.998 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.222 -4.382 3.920 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.349 -2.896 4.839 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.776 -4.020 6.511 1.00 0.00 H new ATOM 0 HD3 ARG A 25 12.604 -5.542 5.661 1.00 0.00 H new ATOM 0 HE ARG A 25 13.659 -4.152 3.677 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.571 -4.193 7.102 1.00 0.00 H new ATOM 0 HH12 ARG A 25 16.205 -3.601 6.785 1.00 0.00 H new ATOM 0 HH21 ARG A 25 15.737 -3.404 3.302 1.00 0.00 H new ATOM 0 HH22 ARG A 25 16.857 -3.159 4.647 1.00 0.00 H new ATOM 380 N ILE A 26 7.478 -2.231 5.862 1.00 0.00 N ATOM 381 CA ILE A 26 7.025 -0.844 5.751 1.00 0.00 C ATOM 382 C ILE A 26 8.028 0.128 6.292 1.00 0.00 C ATOM 383 O ILE A 26 7.957 1.337 6.012 1.00 0.00 O ATOM 384 CB ILE A 26 5.609 -0.592 6.360 1.00 0.00 C ATOM 385 CG1 ILE A 26 5.486 -0.974 7.860 1.00 0.00 C ATOM 386 CG2 ILE A 26 4.564 -1.314 5.558 1.00 0.00 C ATOM 387 CD1 ILE A 26 6.075 0.028 8.843 1.00 0.00 C ATOM 0 H ILE A 26 6.990 -2.782 6.568 1.00 0.00 H new ATOM 0 HA ILE A 26 6.931 -0.666 4.680 1.00 0.00 H new ATOM 0 HB ILE A 26 5.449 0.485 6.309 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.431 -1.111 8.096 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.974 -1.936 8.013 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.581 -1.131 5.992 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.580 -0.952 4.530 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.772 -2.384 5.569 1.00 0.00 H new ATOM 0 HD11 ILE A 26 5.936 -0.336 9.861 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.140 0.150 8.644 1.00 0.00 H new ATOM 0 HD13 ILE A 26 5.572 0.988 8.729 1.00 0.00 H new ATOM 399 N GLN A 27 8.999 -0.396 7.012 1.00 0.00 N ATOM 400 CA GLN A 27 9.999 0.435 7.613 1.00 0.00 C ATOM 401 C GLN A 27 10.979 0.901 6.563 1.00 0.00 C ATOM 402 O GLN A 27 11.641 1.906 6.731 1.00 0.00 O ATOM 403 CB GLN A 27 10.709 -0.262 8.780 1.00 0.00 C ATOM 404 CG GLN A 27 11.541 -1.487 8.414 1.00 0.00 C ATOM 405 CD GLN A 27 12.286 -2.057 9.611 1.00 0.00 C ATOM 406 OE1 GLN A 27 12.663 -1.328 10.533 1.00 0.00 O ATOM 407 NE2 GLN A 27 12.491 -3.340 9.626 1.00 0.00 N ATOM 0 H GLN A 27 9.109 -1.394 7.190 1.00 0.00 H new ATOM 0 HA GLN A 27 9.502 1.307 8.038 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.360 0.463 9.270 1.00 0.00 H new ATOM 0 HB3 GLN A 27 9.958 -0.561 9.511 1.00 0.00 H new ATOM 0 HG2 GLN A 27 10.890 -2.254 7.995 1.00 0.00 H new ATOM 0 HG3 GLN A 27 12.257 -1.218 7.637 1.00 0.00 H new ATOM 0 HE21 GLN A 27 12.168 -3.917 8.850 1.00 0.00 H new ATOM 0 HE22 GLN A 27 12.975 -3.770 10.414 1.00 0.00 H new ATOM 416 N GLN A 28 11.011 0.204 5.429 1.00 0.00 N ATOM 417 CA GLN A 28 11.911 0.590 4.378 1.00 0.00 C ATOM 418 C GLN A 28 11.302 1.740 3.582 1.00 0.00 C ATOM 419 O GLN A 28 11.993 2.454 2.855 1.00 0.00 O ATOM 420 CB GLN A 28 12.247 -0.565 3.443 1.00 0.00 C ATOM 421 CG GLN A 28 11.158 -0.923 2.459 1.00 0.00 C ATOM 422 CD GLN A 28 11.666 -1.608 1.217 1.00 0.00 C ATOM 423 OE1 GLN A 28 11.069 -1.497 0.166 1.00 0.00 O ATOM 424 NE2 GLN A 28 12.781 -2.274 1.311 1.00 0.00 N ATOM 0 H GLN A 28 10.432 -0.612 5.229 1.00 0.00 H new ATOM 0 HA GLN A 28 12.843 0.906 4.846 1.00 0.00 H new ATOM 0 HB2 GLN A 28 13.150 -0.313 2.887 1.00 0.00 H new ATOM 0 HB3 GLN A 28 12.477 -1.445 4.044 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.435 -1.573 2.952 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.627 -0.015 2.172 1.00 0.00 H new ATOM 0 HE21 GLN A 28 13.257 -2.347 2.210 1.00 0.00 H new ATOM 0 HE22 GLN A 28 13.178 -2.722 0.485 1.00 0.00 H new ATOM 433 N LEU A 29 9.995 1.928 3.741 1.00 0.00 N ATOM 434 CA LEU A 29 9.295 2.992 3.041 1.00 0.00 C ATOM 435 C LEU A 29 9.152 4.188 3.896 1.00 0.00 C ATOM 436 O LEU A 29 8.532 5.171 3.494 1.00 0.00 O ATOM 437 CB LEU A 29 7.916 2.587 2.539 1.00 0.00 C ATOM 438 CG LEU A 29 7.857 1.538 1.450 1.00 0.00 C ATOM 439 CD1 LEU A 29 8.970 1.755 0.430 1.00 0.00 C ATOM 440 CD2 LEU A 29 7.839 0.141 2.026 1.00 0.00 C ATOM 0 H LEU A 29 9.404 1.358 4.347 1.00 0.00 H new ATOM 0 HA LEU A 29 9.914 3.216 2.172 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.340 2.223 3.390 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.413 3.482 2.173 1.00 0.00 H new ATOM 0 HG LEU A 29 6.915 1.649 0.912 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.909 0.990 -0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.860 2.740 -0.024 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.937 1.691 0.928 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.796 -0.586 1.215 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.743 -0.022 2.613 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.965 0.023 2.666 1.00 0.00 H new ATOM 452 N ASN A 30 9.709 4.100 5.071 1.00 0.00 N ATOM 453 CA ASN A 30 9.679 5.174 6.041 1.00 0.00 C ATOM 454 C ASN A 30 10.173 6.496 5.455 1.00 0.00 C ATOM 455 O ASN A 30 9.559 7.536 5.696 1.00 0.00 O ATOM 456 CB ASN A 30 10.481 4.792 7.289 1.00 0.00 C ATOM 457 CG ASN A 30 10.513 5.885 8.330 1.00 0.00 C ATOM 458 OD1 ASN A 30 11.421 6.699 8.360 1.00 0.00 O ATOM 459 ND2 ASN A 30 9.526 5.911 9.181 1.00 0.00 N ATOM 0 H ASN A 30 10.206 3.270 5.393 1.00 0.00 H new ATOM 0 HA ASN A 30 8.638 5.325 6.328 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.051 3.892 7.729 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.502 4.547 6.997 1.00 0.00 H new ATOM 0 HD21 ASN A 30 9.495 6.630 9.904 1.00 0.00 H new ATOM 0 HD22 ASN A 30 8.785 5.213 9.124 1.00 0.00 H new ATOM 466 N HIS A 31 11.214 6.442 4.621 1.00 0.00 N ATOM 467 CA HIS A 31 11.791 7.662 4.057 1.00 0.00 C ATOM 468 C HIS A 31 10.804 8.279 3.070 1.00 0.00 C ATOM 469 O HIS A 31 10.418 9.435 3.222 1.00 0.00 O ATOM 470 CB HIS A 31 13.122 7.382 3.350 1.00 0.00 C ATOM 471 CG HIS A 31 13.975 8.603 3.123 1.00 0.00 C ATOM 472 ND1 HIS A 31 13.694 9.767 2.482 1.00 0.00 N flip ATOM 473 CD2 HIS A 31 15.276 8.714 3.545 1.00 0.00 C flip ATOM 474 CE1 HIS A 31 14.811 10.587 2.516 1.00 0.00 C flip ATOM 475 NE2 HIS A 31 15.732 9.903 3.170 1.00 0.00 N flip ATOM 0 H HIS A 31 11.669 5.578 4.325 1.00 0.00 H new ATOM 0 HA HIS A 31 11.987 8.355 4.875 1.00 0.00 H new ATOM 0 HB2 HIS A 31 13.689 6.662 3.941 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.917 6.913 2.388 1.00 0.00 H new ATOM 0 HD2 HIS A 31 15.832 7.964 4.088 1.00 0.00 H new ATOM 0 HE1 HIS A 31 14.908 11.577 2.096 1.00 0.00 H new ATOM 0 HE2 HIS A 31 16.674 10.245 3.362 1.00 0.00 H new ATOM 483 N CYS A 32 10.375 7.484 2.091 1.00 0.00 N ATOM 484 CA CYS A 32 9.413 7.919 1.083 1.00 0.00 C ATOM 485 C CYS A 32 8.144 8.451 1.744 1.00 0.00 C ATOM 486 O CYS A 32 7.680 9.533 1.420 1.00 0.00 O ATOM 487 CB CYS A 32 9.100 6.776 0.087 1.00 0.00 C ATOM 488 SG CYS A 32 10.034 6.818 -1.475 1.00 0.00 S ATOM 0 H CYS A 32 10.686 6.519 1.975 1.00 0.00 H new ATOM 0 HA CYS A 32 9.857 8.735 0.513 1.00 0.00 H new ATOM 0 HB2 CYS A 32 9.295 5.824 0.581 1.00 0.00 H new ATOM 0 HB3 CYS A 32 8.035 6.802 -0.146 1.00 0.00 H new ATOM 493 N GLN A 33 7.633 7.702 2.704 1.00 0.00 N ATOM 494 CA GLN A 33 6.485 8.083 3.480 1.00 0.00 C ATOM 495 C GLN A 33 6.659 9.464 4.145 1.00 0.00 C ATOM 496 O GLN A 33 5.842 10.365 3.939 1.00 0.00 O ATOM 497 CB GLN A 33 6.242 7.022 4.536 1.00 0.00 C ATOM 498 CG GLN A 33 5.254 7.434 5.592 1.00 0.00 C ATOM 499 CD GLN A 33 5.146 6.464 6.755 1.00 0.00 C ATOM 500 OE1 GLN A 33 6.238 5.853 7.123 1.00 0.00 O flip ATOM 501 NE2 GLN A 33 4.090 6.303 7.348 1.00 0.00 N flip ATOM 0 H GLN A 33 8.018 6.794 2.965 1.00 0.00 H new ATOM 0 HA GLN A 33 5.629 8.162 2.810 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.884 6.114 4.050 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.190 6.775 5.015 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.537 8.414 5.976 1.00 0.00 H new ATOM 0 HG3 GLN A 33 4.272 7.543 5.132 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.251 6.794 7.038 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.047 5.678 8.153 1.00 0.00 H new ATOM 510 N MET A 34 7.728 9.633 4.917 1.00 0.00 N ATOM 511 CA MET A 34 7.921 10.887 5.648 1.00 0.00 C ATOM 512 C MET A 34 8.209 12.043 4.738 1.00 0.00 C ATOM 513 O MET A 34 7.653 13.115 4.909 1.00 0.00 O ATOM 514 CB MET A 34 8.997 10.815 6.748 1.00 0.00 C ATOM 515 CG MET A 34 10.413 10.482 6.291 1.00 0.00 C ATOM 516 SD MET A 34 11.640 10.690 7.605 1.00 0.00 S ATOM 517 CE MET A 34 10.908 9.703 8.905 1.00 0.00 C ATOM 0 H MET A 34 8.461 8.937 5.053 1.00 0.00 H new ATOM 0 HA MET A 34 6.964 11.053 6.143 1.00 0.00 H new ATOM 0 HB2 MET A 34 9.022 11.774 7.265 1.00 0.00 H new ATOM 0 HB3 MET A 34 8.689 10.067 7.479 1.00 0.00 H new ATOM 0 HG2 MET A 34 10.442 9.453 5.933 1.00 0.00 H new ATOM 0 HG3 MET A 34 10.678 11.121 5.448 1.00 0.00 H new ATOM 0 HE1 MET A 34 11.696 9.229 9.490 1.00 0.00 H new ATOM 0 HE2 MET A 34 10.309 10.342 9.554 1.00 0.00 H new ATOM 0 HE3 MET A 34 10.272 8.935 8.465 1.00 0.00 H new ATOM 527 N HIS A 35 9.027 11.810 3.750 1.00 0.00 N ATOM 528 CA HIS A 35 9.463 12.867 2.864 1.00 0.00 C ATOM 529 C HIS A 35 8.318 13.340 1.968 1.00 0.00 C ATOM 530 O HIS A 35 8.335 14.461 1.483 1.00 0.00 O ATOM 531 CB HIS A 35 10.634 12.402 2.011 1.00 0.00 C ATOM 532 CG HIS A 35 11.670 13.459 1.776 1.00 0.00 C ATOM 533 ND1 HIS A 35 13.007 13.402 1.966 1.00 0.00 N flip ATOM 534 CD2 HIS A 35 11.404 14.743 1.323 1.00 0.00 C flip ATOM 535 CE1 HIS A 35 13.573 14.635 1.635 1.00 0.00 C flip ATOM 536 NE2 HIS A 35 12.563 15.406 1.254 1.00 0.00 N flip ATOM 0 H HIS A 35 9.411 10.891 3.532 1.00 0.00 H new ATOM 0 HA HIS A 35 9.787 13.706 3.480 1.00 0.00 H new ATOM 0 HB2 HIS A 35 11.105 11.546 2.494 1.00 0.00 H new ATOM 0 HB3 HIS A 35 10.256 12.057 1.049 1.00 0.00 H new ATOM 0 HD2 HIS A 35 10.431 15.138 1.070 1.00 0.00 H new ATOM 0 HE1 HIS A 35 14.618 14.905 1.680 1.00 0.00 H new ATOM 0 HE2 HIS A 35 12.658 16.375 0.949 1.00 0.00 H new ATOM 544 N LEU A 36 7.349 12.472 1.730 1.00 0.00 N ATOM 545 CA LEU A 36 6.191 12.851 0.945 1.00 0.00 C ATOM 546 C LEU A 36 5.094 13.450 1.796 1.00 0.00 C ATOM 547 O LEU A 36 4.270 14.190 1.300 1.00 0.00 O ATOM 548 CB LEU A 36 5.640 11.694 0.124 1.00 0.00 C ATOM 549 CG LEU A 36 6.565 11.141 -0.969 1.00 0.00 C ATOM 550 CD1 LEU A 36 5.904 9.996 -1.704 1.00 0.00 C ATOM 551 CD2 LEU A 36 6.990 12.231 -1.946 1.00 0.00 C ATOM 0 H LEU A 36 7.342 11.509 2.066 1.00 0.00 H new ATOM 0 HA LEU A 36 6.544 13.616 0.254 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.388 10.880 0.804 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.711 12.018 -0.344 1.00 0.00 H new ATOM 0 HG LEU A 36 7.463 10.765 -0.479 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.578 9.620 -2.474 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.675 9.196 -1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.982 10.346 -2.168 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.644 11.804 -2.706 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.107 12.655 -2.424 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.523 13.015 -1.408 1.00 0.00 H new ATOM 563 N THR A 37 5.045 13.125 3.058 1.00 0.00 N ATOM 564 CA THR A 37 4.018 13.723 3.868 1.00 0.00 C ATOM 565 C THR A 37 4.474 15.054 4.446 1.00 0.00 C ATOM 566 O THR A 37 3.664 15.911 4.835 1.00 0.00 O ATOM 567 CB THR A 37 3.534 12.766 4.946 1.00 0.00 C ATOM 568 OG1 THR A 37 4.656 12.239 5.676 1.00 0.00 O ATOM 569 CG2 THR A 37 2.813 11.625 4.305 1.00 0.00 C ATOM 0 H THR A 37 5.674 12.478 3.534 1.00 0.00 H new ATOM 0 HA THR A 37 3.165 13.932 3.223 1.00 0.00 H new ATOM 0 HB THR A 37 2.872 13.304 5.624 1.00 0.00 H new ATOM 0 HG1 THR A 37 5.091 11.539 5.146 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.464 10.936 5.075 1.00 0.00 H new ATOM 0 HG22 THR A 37 1.959 12.004 3.743 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.489 11.101 3.629 1.00 0.00 H new ATOM 577 N SER A 38 5.757 15.212 4.502 1.00 0.00 N ATOM 578 CA SER A 38 6.371 16.430 4.914 1.00 0.00 C ATOM 579 C SER A 38 6.608 17.319 3.698 1.00 0.00 C ATOM 580 O SER A 38 6.921 16.821 2.618 1.00 0.00 O ATOM 581 CB SER A 38 7.673 16.120 5.631 1.00 0.00 C ATOM 582 OG SER A 38 7.440 15.274 6.754 1.00 0.00 O ATOM 0 H SER A 38 6.422 14.479 4.256 1.00 0.00 H new ATOM 0 HA SER A 38 5.718 16.964 5.604 1.00 0.00 H new ATOM 0 HB2 SER A 38 8.367 15.637 4.943 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.143 17.047 5.959 1.00 0.00 H new ATOM 0 HG SER A 38 7.443 14.338 6.464 1.00 0.00 H new ATOM 588 N PHE A 39 6.454 18.599 3.855 1.00 0.00 N ATOM 589 CA PHE A 39 6.735 19.510 2.789 1.00 0.00 C ATOM 590 C PHE A 39 8.002 20.236 3.065 1.00 0.00 C ATOM 591 O PHE A 39 8.208 20.740 4.173 1.00 0.00 O ATOM 592 CB PHE A 39 5.606 20.500 2.556 1.00 0.00 C ATOM 593 CG PHE A 39 4.435 19.916 1.855 1.00 0.00 C ATOM 594 CD1 PHE A 39 3.224 19.731 2.499 1.00 0.00 C ATOM 595 CD2 PHE A 39 4.550 19.546 0.530 1.00 0.00 C ATOM 596 CE1 PHE A 39 2.158 19.194 1.823 1.00 0.00 C ATOM 597 CE2 PHE A 39 3.492 19.009 -0.143 1.00 0.00 C ATOM 598 CZ PHE A 39 2.298 18.833 0.498 1.00 0.00 C ATOM 0 H PHE A 39 6.133 19.038 4.718 1.00 0.00 H new ATOM 0 HA PHE A 39 6.837 18.921 1.878 1.00 0.00 H new ATOM 0 HB2 PHE A 39 5.281 20.900 3.517 1.00 0.00 H new ATOM 0 HB3 PHE A 39 5.985 21.340 1.974 1.00 0.00 H new ATOM 0 HD1 PHE A 39 3.118 20.010 3.537 1.00 0.00 H new ATOM 0 HD2 PHE A 39 5.491 19.684 0.019 1.00 0.00 H new ATOM 0 HE1 PHE A 39 1.212 19.054 2.326 1.00 0.00 H new ATOM 0 HE2 PHE A 39 3.598 18.724 -1.179 1.00 0.00 H new ATOM 0 HZ PHE A 39 1.460 18.409 -0.035 1.00 0.00 H new ATOM 865 N HIS A 55 15.532 11.572 -2.138 1.00 0.00 N ATOM 866 CA HIS A 55 14.743 10.564 -1.486 1.00 0.00 C ATOM 867 C HIS A 55 14.496 9.389 -2.397 1.00 0.00 C ATOM 868 O HIS A 55 14.323 8.286 -1.940 1.00 0.00 O ATOM 869 CB HIS A 55 13.421 11.145 -0.903 1.00 0.00 C ATOM 870 CG HIS A 55 12.593 12.018 -1.834 1.00 0.00 C ATOM 871 ND1 HIS A 55 11.997 13.196 -1.439 1.00 0.00 N ATOM 872 CD2 HIS A 55 12.238 11.847 -3.127 1.00 0.00 C ATOM 873 CE1 HIS A 55 11.313 13.687 -2.470 1.00 0.00 C ATOM 874 NE2 HIS A 55 11.424 12.906 -3.525 1.00 0.00 N ATOM 0 HA HIS A 55 15.319 10.197 -0.636 1.00 0.00 H new ATOM 0 HB2 HIS A 55 12.799 10.313 -0.573 1.00 0.00 H new ATOM 0 HB3 HIS A 55 13.667 11.730 -0.017 1.00 0.00 H new ATOM 0 HD2 HIS A 55 12.538 11.020 -3.753 1.00 0.00 H new ATOM 0 HE1 HIS A 55 10.743 14.604 -2.445 1.00 0.00 H new ATOM 0 HE2 HIS A 55 11.002 13.047 -4.443 1.00 0.00 H new ATOM 882 N LEU A 56 14.593 9.623 -3.686 1.00 0.00 N ATOM 883 CA LEU A 56 14.351 8.597 -4.668 1.00 0.00 C ATOM 884 C LEU A 56 15.567 7.723 -4.743 1.00 0.00 C ATOM 885 O LEU A 56 15.447 6.518 -4.699 1.00 0.00 O ATOM 886 CB LEU A 56 13.969 9.214 -6.051 1.00 0.00 C ATOM 887 CG LEU A 56 13.646 8.252 -7.243 1.00 0.00 C ATOM 888 CD1 LEU A 56 14.884 7.600 -7.838 1.00 0.00 C ATOM 889 CD2 LEU A 56 12.642 7.190 -6.834 1.00 0.00 C ATOM 0 H LEU A 56 14.842 10.530 -4.080 1.00 0.00 H new ATOM 0 HA LEU A 56 13.497 7.987 -4.373 1.00 0.00 H new ATOM 0 HB2 LEU A 56 13.100 9.853 -5.898 1.00 0.00 H new ATOM 0 HB3 LEU A 56 14.790 9.861 -6.362 1.00 0.00 H new ATOM 0 HG LEU A 56 13.209 8.878 -8.021 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.592 6.946 -8.659 1.00 0.00 H new ATOM 0 HD12 LEU A 56 15.558 8.371 -8.211 1.00 0.00 H new ATOM 0 HD13 LEU A 56 15.391 7.015 -7.071 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.437 6.537 -7.682 1.00 0.00 H new ATOM 0 HD22 LEU A 56 13.050 6.601 -6.013 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.717 7.668 -6.513 1.00 0.00 H new ATOM 901 N SER A 57 16.740 8.341 -4.805 1.00 0.00 N ATOM 902 CA SER A 57 18.006 7.626 -4.841 1.00 0.00 C ATOM 903 C SER A 57 18.119 6.670 -3.643 1.00 0.00 C ATOM 904 O SER A 57 18.694 5.586 -3.738 1.00 0.00 O ATOM 905 CB SER A 57 19.140 8.639 -4.816 1.00 0.00 C ATOM 906 OG SER A 57 18.982 9.592 -5.863 1.00 0.00 O ATOM 0 H SER A 57 16.838 9.356 -4.832 1.00 0.00 H new ATOM 0 HA SER A 57 18.063 7.031 -5.753 1.00 0.00 H new ATOM 0 HB2 SER A 57 19.159 9.148 -3.853 1.00 0.00 H new ATOM 0 HB3 SER A 57 20.096 8.126 -4.924 1.00 0.00 H new ATOM 0 HG SER A 57 19.719 10.237 -5.832 1.00 0.00 H new ATOM 912 N LEU A 58 17.549 7.073 -2.534 1.00 0.00 N ATOM 913 CA LEU A 58 17.552 6.254 -1.343 1.00 0.00 C ATOM 914 C LEU A 58 16.417 5.216 -1.389 1.00 0.00 C ATOM 915 O LEU A 58 16.663 4.015 -1.333 1.00 0.00 O ATOM 916 CB LEU A 58 17.417 7.160 -0.129 1.00 0.00 C ATOM 917 CG LEU A 58 18.432 8.301 -0.079 1.00 0.00 C ATOM 918 CD1 LEU A 58 18.182 9.175 1.116 1.00 0.00 C ATOM 919 CD2 LEU A 58 19.864 7.772 -0.065 1.00 0.00 C ATOM 0 H LEU A 58 17.074 7.969 -2.430 1.00 0.00 H new ATOM 0 HA LEU A 58 18.490 5.702 -1.280 1.00 0.00 H new ATOM 0 HB2 LEU A 58 16.412 7.582 -0.116 1.00 0.00 H new ATOM 0 HB3 LEU A 58 17.521 6.557 0.773 1.00 0.00 H new ATOM 0 HG LEU A 58 18.307 8.899 -0.982 1.00 0.00 H new ATOM 0 HD11 LEU A 58 18.914 9.982 1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 58 17.179 9.596 1.055 1.00 0.00 H new ATOM 0 HD13 LEU A 58 18.272 8.582 2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 58 20.561 8.609 -0.029 1.00 0.00 H new ATOM 0 HD22 LEU A 58 20.010 7.141 0.811 1.00 0.00 H new ATOM 0 HD23 LEU A 58 20.045 7.188 -0.967 1.00 0.00 H new ATOM 931 N CYS A 59 15.197 5.697 -1.555 1.00 0.00 N ATOM 932 CA CYS A 59 13.978 4.875 -1.558 1.00 0.00 C ATOM 933 C CYS A 59 14.030 3.804 -2.653 1.00 0.00 C ATOM 934 O CYS A 59 13.817 2.634 -2.373 1.00 0.00 O ATOM 935 CB CYS A 59 12.784 5.797 -1.758 1.00 0.00 C ATOM 936 SG CYS A 59 11.135 5.111 -1.498 1.00 0.00 S ATOM 0 H CYS A 59 15.012 6.690 -1.695 1.00 0.00 H new ATOM 0 HA CYS A 59 13.890 4.350 -0.607 1.00 0.00 H new ATOM 0 HB2 CYS A 59 12.902 6.648 -1.087 1.00 0.00 H new ATOM 0 HB3 CYS A 59 12.828 6.185 -2.775 1.00 0.00 H new ATOM 941 N CYS A 60 14.365 4.207 -3.889 1.00 0.00 N ATOM 942 CA CYS A 60 14.492 3.286 -5.023 1.00 0.00 C ATOM 943 C CYS A 60 15.514 2.209 -4.730 1.00 0.00 C ATOM 944 O CYS A 60 15.299 1.055 -5.031 1.00 0.00 O ATOM 945 CB CYS A 60 14.857 4.048 -6.322 1.00 0.00 C ATOM 946 SG CYS A 60 15.191 3.012 -7.801 1.00 0.00 S ATOM 0 H CYS A 60 14.555 5.180 -4.127 1.00 0.00 H new ATOM 0 HA CYS A 60 13.525 2.807 -5.174 1.00 0.00 H new ATOM 0 HB2 CYS A 60 14.042 4.732 -6.559 1.00 0.00 H new ATOM 0 HB3 CYS A 60 15.738 4.659 -6.125 1.00 0.00 H new ATOM 951 N ASN A 61 16.580 2.576 -4.043 1.00 0.00 N ATOM 952 CA ASN A 61 17.653 1.623 -3.765 1.00 0.00 C ATOM 953 C ASN A 61 17.256 0.677 -2.665 1.00 0.00 C ATOM 954 O ASN A 61 17.739 -0.445 -2.571 1.00 0.00 O ATOM 955 CB ASN A 61 18.938 2.350 -3.419 1.00 0.00 C ATOM 956 CG ASN A 61 20.132 1.421 -3.213 1.00 0.00 C ATOM 957 OD1 ASN A 61 20.461 1.129 -1.983 1.00 0.00 O flip ATOM 958 ND2 ASN A 61 20.780 1.011 -4.168 1.00 0.00 N flip ATOM 0 H ASN A 61 16.731 3.513 -3.669 1.00 0.00 H new ATOM 0 HA ASN A 61 17.829 1.035 -4.666 1.00 0.00 H new ATOM 0 HB2 ASN A 61 19.171 3.056 -4.216 1.00 0.00 H new ATOM 0 HB3 ASN A 61 18.782 2.933 -2.512 1.00 0.00 H new ATOM 0 HD21 ASN A 61 20.499 1.255 -5.118 1.00 0.00 H new ATOM 0 HD22 ASN A 61 21.601 0.425 -4.014 1.00 0.00 H new ATOM 965 N GLN A 62 16.372 1.135 -1.856 1.00 0.00 N ATOM 966 CA GLN A 62 15.870 0.381 -0.758 1.00 0.00 C ATOM 967 C GLN A 62 14.816 -0.615 -1.235 1.00 0.00 C ATOM 968 O GLN A 62 14.899 -1.819 -0.948 1.00 0.00 O ATOM 969 CB GLN A 62 15.339 1.360 0.293 1.00 0.00 C ATOM 970 CG GLN A 62 14.686 0.750 1.499 1.00 0.00 C ATOM 971 CD GLN A 62 15.602 -0.136 2.302 1.00 0.00 C ATOM 972 OE1 GLN A 62 15.675 -1.331 2.077 1.00 0.00 O ATOM 973 NE2 GLN A 62 16.291 0.430 3.238 1.00 0.00 N ATOM 0 H GLN A 62 15.965 2.067 -1.938 1.00 0.00 H new ATOM 0 HA GLN A 62 16.659 -0.215 -0.300 1.00 0.00 H new ATOM 0 HB2 GLN A 62 16.168 1.982 0.631 1.00 0.00 H new ATOM 0 HB3 GLN A 62 14.619 2.022 -0.188 1.00 0.00 H new ATOM 0 HG2 GLN A 62 14.312 1.548 2.141 1.00 0.00 H new ATOM 0 HG3 GLN A 62 13.822 0.168 1.178 1.00 0.00 H new ATOM 0 HE21 GLN A 62 16.205 1.434 3.399 1.00 0.00 H new ATOM 0 HE22 GLN A 62 16.921 -0.127 3.816 1.00 0.00 H new ATOM 982 N LEU A 63 13.891 -0.128 -2.013 1.00 0.00 N ATOM 983 CA LEU A 63 12.800 -0.934 -2.509 1.00 0.00 C ATOM 984 C LEU A 63 13.302 -1.970 -3.516 1.00 0.00 C ATOM 985 O LEU A 63 12.764 -3.050 -3.619 1.00 0.00 O ATOM 986 CB LEU A 63 11.725 -0.011 -3.133 1.00 0.00 C ATOM 987 CG LEU A 63 12.084 0.692 -4.436 1.00 0.00 C ATOM 988 CD1 LEU A 63 11.797 -0.165 -5.626 1.00 0.00 C ATOM 989 CD2 LEU A 63 11.384 2.006 -4.544 1.00 0.00 C ATOM 0 H LEU A 63 13.868 0.843 -2.325 1.00 0.00 H new ATOM 0 HA LEU A 63 12.351 -1.484 -1.681 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.828 -0.606 -3.306 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.466 0.751 -2.398 1.00 0.00 H new ATOM 0 HG LEU A 63 13.158 0.877 -4.420 1.00 0.00 H new ATOM 0 HD11 LEU A 63 12.067 0.373 -6.535 1.00 0.00 H new ATOM 0 HD12 LEU A 63 12.379 -1.084 -5.561 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.735 -0.410 -5.651 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.657 2.488 -5.483 1.00 0.00 H new ATOM 0 HD22 LEU A 63 10.306 1.847 -4.518 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.677 2.644 -3.710 1.00 0.00 H new ATOM 1001 N GLN A 64 14.350 -1.624 -4.254 1.00 0.00 N ATOM 1002 CA GLN A 64 14.861 -2.496 -5.295 1.00 0.00 C ATOM 1003 C GLN A 64 15.576 -3.726 -4.744 1.00 0.00 C ATOM 1004 O GLN A 64 15.900 -4.645 -5.496 1.00 0.00 O ATOM 1005 CB GLN A 64 15.755 -1.749 -6.271 1.00 0.00 C ATOM 1006 CG GLN A 64 17.113 -1.383 -5.731 1.00 0.00 C ATOM 1007 CD GLN A 64 17.990 -0.764 -6.807 1.00 0.00 C ATOM 1008 OE1 GLN A 64 18.942 0.037 -6.429 1.00 0.00 O flip ATOM 1009 NE2 GLN A 64 17.834 -1.061 -7.992 1.00 0.00 N flip ATOM 0 H GLN A 64 14.859 -0.747 -4.148 1.00 0.00 H new ATOM 0 HA GLN A 64 13.985 -2.852 -5.837 1.00 0.00 H new ATOM 0 HB2 GLN A 64 15.887 -2.362 -7.163 1.00 0.00 H new ATOM 0 HB3 GLN A 64 15.246 -0.837 -6.583 1.00 0.00 H new ATOM 0 HG2 GLN A 64 17.000 -0.682 -4.904 1.00 0.00 H new ATOM 0 HG3 GLN A 64 17.599 -2.273 -5.331 1.00 0.00 H new ATOM 0 HE21 GLN A 64 17.080 -1.691 -8.265 1.00 0.00 H new ATOM 0 HE22 GLN A 64 18.459 -0.677 -8.701 1.00 0.00 H new ATOM 1018 N GLU A 65 15.848 -3.746 -3.446 1.00 0.00 N ATOM 1019 CA GLU A 65 16.447 -4.927 -2.856 1.00 0.00 C ATOM 1020 C GLU A 65 15.360 -5.938 -2.508 1.00 0.00 C ATOM 1021 O GLU A 65 15.630 -7.081 -2.117 1.00 0.00 O ATOM 1022 CB GLU A 65 17.305 -4.621 -1.642 1.00 0.00 C ATOM 1023 CG GLU A 65 18.519 -3.766 -1.937 1.00 0.00 C ATOM 1024 CD GLU A 65 19.463 -3.699 -0.767 1.00 0.00 C ATOM 1025 OE1 GLU A 65 20.546 -4.328 -0.818 1.00 0.00 O ATOM 1026 OE2 GLU A 65 19.148 -3.033 0.231 1.00 0.00 O ATOM 0 H GLU A 65 15.668 -2.978 -2.799 1.00 0.00 H new ATOM 0 HA GLU A 65 17.120 -5.351 -3.601 1.00 0.00 H new ATOM 0 HB2 GLU A 65 16.692 -4.115 -0.896 1.00 0.00 H new ATOM 0 HB3 GLU A 65 17.636 -5.560 -1.199 1.00 0.00 H new ATOM 0 HG2 GLU A 65 19.044 -4.169 -2.803 1.00 0.00 H new ATOM 0 HG3 GLU A 65 18.197 -2.759 -2.200 1.00 0.00 H new ATOM 1033 N VAL A 66 14.139 -5.485 -2.600 1.00 0.00 N ATOM 1034 CA VAL A 66 12.967 -6.342 -2.460 1.00 0.00 C ATOM 1035 C VAL A 66 12.735 -7.007 -3.836 1.00 0.00 C ATOM 1036 O VAL A 66 13.341 -6.573 -4.828 1.00 0.00 O ATOM 1037 CB VAL A 66 11.711 -5.487 -2.075 1.00 0.00 C ATOM 1038 CG1 VAL A 66 10.504 -6.335 -1.727 1.00 0.00 C ATOM 1039 CG2 VAL A 66 12.029 -4.552 -0.938 1.00 0.00 C ATOM 0 H VAL A 66 13.916 -4.505 -2.775 1.00 0.00 H new ATOM 0 HA VAL A 66 13.123 -7.085 -1.678 1.00 0.00 H new ATOM 0 HB VAL A 66 11.452 -4.907 -2.961 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.666 -5.687 -1.469 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.234 -6.953 -2.583 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.742 -6.976 -0.878 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.143 -3.969 -0.688 1.00 0.00 H new ATOM 0 HG22 VAL A 66 12.341 -5.130 -0.068 1.00 0.00 H new ATOM 0 HG23 VAL A 66 12.834 -3.880 -1.234 1.00 0.00 H new ATOM 1049 N GLU A 67 11.939 -8.076 -3.891 1.00 0.00 N ATOM 1050 CA GLU A 67 11.569 -8.708 -5.161 1.00 0.00 C ATOM 1051 C GLU A 67 11.057 -7.721 -6.146 1.00 0.00 C ATOM 1052 O GLU A 67 10.368 -6.785 -5.780 1.00 0.00 O ATOM 1053 CB GLU A 67 10.524 -9.759 -4.982 1.00 0.00 C ATOM 1054 CG GLU A 67 11.070 -11.071 -4.594 1.00 0.00 C ATOM 1055 CD GLU A 67 12.112 -11.559 -5.550 1.00 0.00 C ATOM 1056 OE1 GLU A 67 13.303 -11.527 -5.212 1.00 0.00 O ATOM 1057 OE2 GLU A 67 11.759 -11.963 -6.669 1.00 0.00 O ATOM 0 H GLU A 67 11.536 -8.525 -3.068 1.00 0.00 H new ATOM 0 HA GLU A 67 12.487 -9.162 -5.535 1.00 0.00 H new ATOM 0 HB2 GLU A 67 9.816 -9.430 -4.222 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.966 -9.867 -5.912 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.501 -11.001 -3.595 1.00 0.00 H new ATOM 0 HG3 GLU A 67 10.260 -11.798 -4.542 1.00 0.00 H new ATOM 1064 N LYS A 68 11.286 -8.007 -7.399 1.00 0.00 N ATOM 1065 CA LYS A 68 10.998 -7.053 -8.466 1.00 0.00 C ATOM 1066 C LYS A 68 9.523 -6.706 -8.562 1.00 0.00 C ATOM 1067 O LYS A 68 9.151 -5.544 -8.757 1.00 0.00 O ATOM 1068 CB LYS A 68 11.547 -7.505 -9.821 1.00 0.00 C ATOM 1069 CG LYS A 68 11.049 -8.833 -10.333 1.00 0.00 C ATOM 1070 CD LYS A 68 11.579 -9.093 -11.721 1.00 0.00 C ATOM 1071 CE LYS A 68 13.090 -9.292 -11.746 1.00 0.00 C ATOM 1072 NZ LYS A 68 13.581 -9.491 -13.117 1.00 0.00 N ATOM 0 H LYS A 68 11.673 -8.895 -7.720 1.00 0.00 H new ATOM 0 HA LYS A 68 11.525 -6.140 -8.190 1.00 0.00 H new ATOM 0 HB2 LYS A 68 11.306 -6.741 -10.560 1.00 0.00 H new ATOM 0 HB3 LYS A 68 12.634 -7.550 -9.752 1.00 0.00 H new ATOM 0 HG2 LYS A 68 11.365 -9.631 -9.661 1.00 0.00 H new ATOM 0 HG3 LYS A 68 9.959 -8.840 -10.346 1.00 0.00 H new ATOM 0 HD2 LYS A 68 11.093 -9.978 -12.131 1.00 0.00 H new ATOM 0 HD3 LYS A 68 11.316 -8.257 -12.368 1.00 0.00 H new ATOM 0 HE2 LYS A 68 13.580 -8.424 -11.304 1.00 0.00 H new ATOM 0 HE3 LYS A 68 13.355 -10.154 -11.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 14.612 -9.624 -13.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 13.130 -10.333 -13.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 13.348 -8.657 -13.694 1.00 0.00 H new ATOM 1086 N GLN A 69 8.694 -7.694 -8.359 1.00 0.00 N ATOM 1087 CA GLN A 69 7.250 -7.523 -8.432 1.00 0.00 C ATOM 1088 C GLN A 69 6.739 -6.827 -7.175 1.00 0.00 C ATOM 1089 O GLN A 69 5.677 -6.231 -7.164 1.00 0.00 O ATOM 1090 CB GLN A 69 6.604 -8.891 -8.579 1.00 0.00 C ATOM 1091 CG GLN A 69 6.872 -9.808 -7.398 1.00 0.00 C ATOM 1092 CD GLN A 69 6.518 -11.234 -7.666 1.00 0.00 C ATOM 1093 OE1 GLN A 69 5.616 -11.527 -8.432 1.00 0.00 O ATOM 1094 NE2 GLN A 69 7.237 -12.133 -7.052 1.00 0.00 N ATOM 0 H GLN A 69 8.991 -8.644 -8.138 1.00 0.00 H new ATOM 0 HA GLN A 69 6.994 -6.903 -9.291 1.00 0.00 H new ATOM 0 HB2 GLN A 69 5.528 -8.767 -8.698 1.00 0.00 H new ATOM 0 HB3 GLN A 69 6.972 -9.364 -9.489 1.00 0.00 H new ATOM 0 HG2 GLN A 69 7.927 -9.747 -7.131 1.00 0.00 H new ATOM 0 HG3 GLN A 69 6.304 -9.455 -6.537 1.00 0.00 H new ATOM 0 HE21 GLN A 69 7.983 -11.844 -6.419 1.00 0.00 H new ATOM 0 HE22 GLN A 69 7.053 -13.125 -7.205 1.00 0.00 H new ATOM 1103 N CYS A 70 7.533 -6.875 -6.149 1.00 0.00 N ATOM 1104 CA CYS A 70 7.182 -6.344 -4.873 1.00 0.00 C ATOM 1105 C CYS A 70 7.792 -4.967 -4.683 1.00 0.00 C ATOM 1106 O CYS A 70 7.435 -4.250 -3.765 1.00 0.00 O ATOM 1107 CB CYS A 70 7.638 -7.304 -3.785 1.00 0.00 C ATOM 1108 SG CYS A 70 7.018 -9.013 -4.007 1.00 0.00 S ATOM 0 H CYS A 70 8.462 -7.294 -6.179 1.00 0.00 H new ATOM 0 HA CYS A 70 6.099 -6.234 -4.811 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.728 -7.322 -3.762 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.304 -6.928 -2.818 1.00 0.00 H new ATOM 1113 N GLN A 71 8.707 -4.600 -5.578 1.00 0.00 N ATOM 1114 CA GLN A 71 9.328 -3.280 -5.573 1.00 0.00 C ATOM 1115 C GLN A 71 8.265 -2.224 -5.795 1.00 0.00 C ATOM 1116 O GLN A 71 8.270 -1.179 -5.173 1.00 0.00 O ATOM 1117 CB GLN A 71 10.399 -3.189 -6.660 1.00 0.00 C ATOM 1118 CG GLN A 71 11.604 -4.092 -6.438 1.00 0.00 C ATOM 1119 CD GLN A 71 12.662 -3.998 -7.540 1.00 0.00 C ATOM 1120 OE1 GLN A 71 12.865 -2.830 -8.070 1.00 0.00 O flip ATOM 1121 NE2 GLN A 71 13.332 -4.974 -7.861 1.00 0.00 N flip ATOM 0 H GLN A 71 9.038 -5.210 -6.326 1.00 0.00 H new ATOM 0 HA GLN A 71 9.806 -3.114 -4.608 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.946 -3.438 -7.620 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.742 -2.157 -6.728 1.00 0.00 H new ATOM 0 HG2 GLN A 71 12.065 -3.838 -5.483 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.263 -5.124 -6.363 1.00 0.00 H new ATOM 0 HE21 GLN A 71 13.152 -5.880 -7.429 1.00 0.00 H new ATOM 0 HE22 GLN A 71 14.069 -4.879 -8.560 1.00 0.00 H new ATOM 1130 N CYS A 72 7.322 -2.525 -6.663 1.00 0.00 N ATOM 1131 CA CYS A 72 6.231 -1.616 -6.897 1.00 0.00 C ATOM 1132 C CYS A 72 5.185 -1.738 -5.825 1.00 0.00 C ATOM 1133 O CYS A 72 4.474 -0.790 -5.525 1.00 0.00 O ATOM 1134 CB CYS A 72 5.647 -1.790 -8.278 1.00 0.00 C ATOM 1135 SG CYS A 72 5.302 -3.505 -8.783 1.00 0.00 S ATOM 0 H CYS A 72 7.292 -3.385 -7.211 1.00 0.00 H new ATOM 0 HA CYS A 72 6.629 -0.602 -6.849 1.00 0.00 H new ATOM 0 HB2 CYS A 72 4.719 -1.221 -8.334 1.00 0.00 H new ATOM 0 HB3 CYS A 72 6.334 -1.350 -9.001 1.00 0.00 H new ATOM 1140 N GLU A 73 5.139 -2.886 -5.206 1.00 0.00 N ATOM 1141 CA GLU A 73 4.208 -3.123 -4.131 1.00 0.00 C ATOM 1142 C GLU A 73 4.614 -2.346 -2.892 1.00 0.00 C ATOM 1143 O GLU A 73 3.770 -1.903 -2.107 1.00 0.00 O ATOM 1144 CB GLU A 73 4.076 -4.604 -3.837 1.00 0.00 C ATOM 1145 CG GLU A 73 3.412 -5.360 -4.958 1.00 0.00 C ATOM 1146 CD GLU A 73 2.024 -4.811 -5.226 1.00 0.00 C ATOM 1147 OE1 GLU A 73 1.097 -5.094 -4.437 1.00 0.00 O ATOM 1148 OE2 GLU A 73 1.832 -4.075 -6.221 1.00 0.00 O ATOM 0 H GLU A 73 5.740 -3.680 -5.428 1.00 0.00 H new ATOM 0 HA GLU A 73 3.227 -2.766 -4.445 1.00 0.00 H new ATOM 0 HB2 GLU A 73 5.065 -5.024 -3.656 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.500 -4.739 -2.921 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.018 -5.287 -5.861 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.347 -6.417 -4.702 1.00 0.00 H new ATOM 1155 N ALA A 74 5.909 -2.134 -2.749 1.00 0.00 N ATOM 1156 CA ALA A 74 6.451 -1.365 -1.670 1.00 0.00 C ATOM 1157 C ALA A 74 5.960 0.072 -1.776 1.00 0.00 C ATOM 1158 O ALA A 74 5.698 0.731 -0.771 1.00 0.00 O ATOM 1159 CB ALA A 74 7.968 -1.441 -1.705 1.00 0.00 C ATOM 0 H ALA A 74 6.612 -2.499 -3.391 1.00 0.00 H new ATOM 0 HA ALA A 74 6.115 -1.768 -0.714 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.381 -0.855 -0.883 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.283 -2.480 -1.604 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.331 -1.042 -2.653 1.00 0.00 H new ATOM 1165 N ILE A 75 5.728 0.498 -3.013 1.00 0.00 N ATOM 1166 CA ILE A 75 5.269 1.838 -3.310 1.00 0.00 C ATOM 1167 C ILE A 75 3.841 2.003 -2.829 1.00 0.00 C ATOM 1168 O ILE A 75 3.454 3.064 -2.340 1.00 0.00 O ATOM 1169 CB ILE A 75 5.290 2.119 -4.827 1.00 0.00 C ATOM 1170 CG1 ILE A 75 6.655 1.788 -5.439 1.00 0.00 C ATOM 1171 CG2 ILE A 75 4.901 3.553 -5.113 1.00 0.00 C ATOM 1172 CD1 ILE A 75 7.833 2.431 -4.760 1.00 0.00 C ATOM 0 H ILE A 75 5.856 -0.086 -3.839 1.00 0.00 H new ATOM 0 HA ILE A 75 5.939 2.534 -2.805 1.00 0.00 H new ATOM 0 HB ILE A 75 4.553 1.466 -5.296 1.00 0.00 H new ATOM 0 HG12 ILE A 75 6.791 0.707 -5.421 1.00 0.00 H new ATOM 0 HG13 ILE A 75 6.649 2.091 -6.486 1.00 0.00 H new ATOM 0 HG21 ILE A 75 4.923 3.728 -6.189 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.896 3.740 -4.735 1.00 0.00 H new ATOM 0 HG23 ILE A 75 5.604 4.226 -4.622 1.00 0.00 H new ATOM 0 HD11 ILE A 75 8.751 2.135 -5.267 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.729 3.515 -4.801 1.00 0.00 H new ATOM 0 HD13 ILE A 75 7.873 2.109 -3.719 1.00 0.00 H new ATOM 1184 N LYS A 76 3.083 0.921 -2.914 1.00 0.00 N ATOM 1185 CA LYS A 76 1.686 0.938 -2.551 1.00 0.00 C ATOM 1186 C LYS A 76 1.615 1.198 -1.065 1.00 0.00 C ATOM 1187 O LYS A 76 0.844 2.038 -0.585 1.00 0.00 O ATOM 1188 CB LYS A 76 1.041 -0.423 -2.871 1.00 0.00 C ATOM 1189 CG LYS A 76 1.291 -0.944 -4.291 1.00 0.00 C ATOM 1190 CD LYS A 76 0.676 -0.062 -5.356 1.00 0.00 C ATOM 1191 CE LYS A 76 0.920 -0.622 -6.763 1.00 0.00 C ATOM 1192 NZ LYS A 76 0.347 -1.984 -6.960 1.00 0.00 N ATOM 0 H LYS A 76 3.422 0.014 -3.235 1.00 0.00 H new ATOM 0 HA LYS A 76 1.152 1.707 -3.109 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.413 -1.160 -2.160 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.035 -0.344 -2.714 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.365 -1.018 -4.462 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.884 -1.951 -4.380 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.396 0.028 -5.180 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.096 0.941 -5.285 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.487 0.057 -7.498 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.993 -0.655 -6.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.119 -2.034 -7.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.109 -2.691 -6.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.349 -2.179 -6.213 1.00 0.00 H new ATOM 1206 N GLN A 77 2.527 0.545 -0.355 1.00 0.00 N ATOM 1207 CA GLN A 77 2.582 0.634 1.086 1.00 0.00 C ATOM 1208 C GLN A 77 2.933 2.029 1.520 1.00 0.00 C ATOM 1209 O GLN A 77 2.488 2.468 2.581 1.00 0.00 O ATOM 1210 CB GLN A 77 3.601 -0.291 1.689 1.00 0.00 C ATOM 1211 CG GLN A 77 3.656 -1.668 1.114 1.00 0.00 C ATOM 1212 CD GLN A 77 4.161 -2.630 2.143 1.00 0.00 C ATOM 1213 OE1 GLN A 77 5.438 -2.670 2.313 1.00 0.00 O flip ATOM 1214 NE2 GLN A 77 3.386 -3.266 2.857 1.00 0.00 N flip ATOM 0 H GLN A 77 3.242 -0.056 -0.765 1.00 0.00 H new ATOM 0 HA GLN A 77 1.590 0.349 1.435 1.00 0.00 H new ATOM 0 HB2 GLN A 77 4.585 0.165 1.582 1.00 0.00 H new ATOM 0 HB3 GLN A 77 3.401 -0.372 2.757 1.00 0.00 H new ATOM 0 HG2 GLN A 77 2.665 -1.970 0.776 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.308 -1.681 0.241 1.00 0.00 H new ATOM 0 HE21 GLN A 77 2.381 -3.211 2.694 1.00 0.00 H new ATOM 0 HE22 GLN A 77 3.749 -3.848 3.612 1.00 0.00 H new ATOM 1223 N VAL A 78 3.762 2.721 0.713 1.00 0.00 N ATOM 1224 CA VAL A 78 4.134 4.097 1.013 1.00 0.00 C ATOM 1225 C VAL A 78 2.888 4.926 1.083 1.00 0.00 C ATOM 1226 O VAL A 78 2.688 5.660 2.038 1.00 0.00 O ATOM 1227 CB VAL A 78 5.035 4.767 -0.054 1.00 0.00 C ATOM 1228 CG1 VAL A 78 5.504 6.107 0.447 1.00 0.00 C ATOM 1229 CG2 VAL A 78 6.202 3.911 -0.446 1.00 0.00 C ATOM 0 H VAL A 78 4.177 2.345 -0.140 1.00 0.00 H new ATOM 0 HA VAL A 78 4.691 4.052 1.949 1.00 0.00 H new ATOM 0 HB VAL A 78 4.434 4.901 -0.953 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.138 6.576 -0.306 1.00 0.00 H new ATOM 0 HG12 VAL A 78 4.642 6.744 0.643 1.00 0.00 H new ATOM 0 HG13 VAL A 78 6.073 5.973 1.367 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.799 4.430 -1.196 1.00 0.00 H new ATOM 0 HG22 VAL A 78 6.817 3.710 0.431 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.840 2.969 -0.859 1.00 0.00 H new ATOM 1239 N VAL A 79 2.024 4.744 0.089 1.00 0.00 N ATOM 1240 CA VAL A 79 0.814 5.520 -0.011 1.00 0.00 C ATOM 1241 C VAL A 79 -0.047 5.196 1.167 1.00 0.00 C ATOM 1242 O VAL A 79 -0.447 6.079 1.914 1.00 0.00 O ATOM 1243 CB VAL A 79 0.029 5.196 -1.297 1.00 0.00 C ATOM 1244 CG1 VAL A 79 -1.188 6.105 -1.425 1.00 0.00 C ATOM 1245 CG2 VAL A 79 0.930 5.291 -2.520 1.00 0.00 C ATOM 0 H VAL A 79 2.149 4.060 -0.657 1.00 0.00 H new ATOM 0 HA VAL A 79 1.083 6.576 -0.036 1.00 0.00 H new ATOM 0 HB VAL A 79 -0.329 4.168 -1.234 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.730 5.861 -2.339 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.843 5.960 -0.566 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -0.863 7.145 -1.462 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.354 5.058 -3.415 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.331 6.302 -2.599 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.752 4.581 -2.423 1.00 0.00 H new ATOM 1255 N GLU A 80 -0.226 3.905 1.361 1.00 0.00 N ATOM 1256 CA GLU A 80 -1.031 3.339 2.418 1.00 0.00 C ATOM 1257 C GLU A 80 -0.678 3.915 3.785 1.00 0.00 C ATOM 1258 O GLU A 80 -1.569 4.333 4.541 1.00 0.00 O ATOM 1259 CB GLU A 80 -0.855 1.823 2.422 1.00 0.00 C ATOM 1260 CG GLU A 80 -1.551 1.103 3.555 1.00 0.00 C ATOM 1261 CD GLU A 80 -1.300 -0.373 3.522 1.00 0.00 C ATOM 1262 OE1 GLU A 80 -0.269 -0.832 4.057 1.00 0.00 O ATOM 1263 OE2 GLU A 80 -2.136 -1.109 2.966 1.00 0.00 O ATOM 0 H GLU A 80 0.202 3.198 0.764 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.072 3.597 2.225 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.226 1.427 1.477 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.210 1.596 2.467 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.207 1.508 4.507 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.623 1.289 3.498 1.00 0.00 H new ATOM 1270 N GLN A 81 0.599 3.973 4.096 1.00 0.00 N ATOM 1271 CA GLN A 81 0.989 4.433 5.395 1.00 0.00 C ATOM 1272 C GLN A 81 1.048 5.937 5.502 1.00 0.00 C ATOM 1273 O GLN A 81 0.706 6.504 6.549 1.00 0.00 O ATOM 1274 CB GLN A 81 2.250 3.764 5.919 1.00 0.00 C ATOM 1275 CG GLN A 81 3.521 3.987 5.105 1.00 0.00 C ATOM 1276 CD GLN A 81 4.690 3.182 5.654 1.00 0.00 C ATOM 1277 OE1 GLN A 81 4.773 2.909 6.853 1.00 0.00 O ATOM 1278 NE2 GLN A 81 5.598 2.805 4.801 1.00 0.00 N ATOM 0 H GLN A 81 1.365 3.711 3.476 1.00 0.00 H new ATOM 0 HA GLN A 81 0.185 4.115 6.058 1.00 0.00 H new ATOM 0 HB2 GLN A 81 2.428 4.117 6.935 1.00 0.00 H new ATOM 0 HB3 GLN A 81 2.068 2.691 5.982 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.342 3.707 4.067 1.00 0.00 H new ATOM 0 HG3 GLN A 81 3.775 5.047 5.110 1.00 0.00 H new ATOM 0 HE21 GLN A 81 5.502 3.046 3.814 1.00 0.00 H new ATOM 0 HE22 GLN A 81 6.405 2.269 5.119 1.00 0.00 H new ATOM 1287 N ALA A 82 1.404 6.580 4.430 1.00 0.00 N ATOM 1288 CA ALA A 82 1.516 8.012 4.422 1.00 0.00 C ATOM 1289 C ALA A 82 0.135 8.656 4.489 1.00 0.00 C ATOM 1290 O ALA A 82 -0.043 9.718 5.089 1.00 0.00 O ATOM 1291 CB ALA A 82 2.268 8.465 3.189 1.00 0.00 C ATOM 0 H ALA A 82 1.624 6.132 3.540 1.00 0.00 H new ATOM 0 HA ALA A 82 2.076 8.329 5.302 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.348 9.552 3.191 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.266 8.027 3.190 1.00 0.00 H new ATOM 0 HB3 ALA A 82 1.732 8.142 2.297 1.00 0.00 H new ATOM 1297 N GLN A 83 -0.841 8.004 3.900 1.00 0.00 N ATOM 1298 CA GLN A 83 -2.177 8.517 3.917 1.00 0.00 C ATOM 1299 C GLN A 83 -2.814 8.343 5.285 1.00 0.00 C ATOM 1300 O GLN A 83 -3.388 9.291 5.814 1.00 0.00 O ATOM 1301 CB GLN A 83 -3.056 7.916 2.803 1.00 0.00 C ATOM 1302 CG GLN A 83 -3.277 6.411 2.895 1.00 0.00 C ATOM 1303 CD GLN A 83 -4.176 5.856 1.809 1.00 0.00 C ATOM 1304 OE1 GLN A 83 -4.016 4.706 1.379 1.00 0.00 O ATOM 1305 NE2 GLN A 83 -5.150 6.614 1.402 1.00 0.00 N ATOM 0 H GLN A 83 -0.728 7.119 3.406 1.00 0.00 H new ATOM 0 HA GLN A 83 -2.107 9.585 3.712 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -4.027 8.412 2.820 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.599 8.142 1.839 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -2.311 5.908 2.846 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -3.710 6.176 3.867 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -5.253 7.557 1.777 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -5.811 6.266 0.708 1.00 0.00 H new ATOM 1314 N LYS A 84 -2.635 7.166 5.922 1.00 0.00 N ATOM 1315 CA LYS A 84 -3.328 6.955 7.186 1.00 0.00 C ATOM 1316 C LYS A 84 -2.723 7.761 8.294 1.00 0.00 C ATOM 1317 O LYS A 84 -3.404 8.094 9.258 1.00 0.00 O ATOM 1318 CB LYS A 84 -3.518 5.481 7.619 1.00 0.00 C ATOM 1319 CG LYS A 84 -2.432 4.850 8.484 1.00 0.00 C ATOM 1320 CD LYS A 84 -1.293 4.400 7.690 1.00 0.00 C ATOM 1321 CE LYS A 84 -0.322 3.576 8.523 1.00 0.00 C ATOM 1322 NZ LYS A 84 0.282 4.337 9.636 1.00 0.00 N ATOM 0 H LYS A 84 -2.050 6.396 5.597 1.00 0.00 H new ATOM 0 HA LYS A 84 -4.337 7.314 6.984 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.461 5.410 8.160 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.621 4.877 6.717 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.094 5.573 9.226 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -2.850 4.004 9.031 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.647 3.805 6.848 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.775 5.264 7.274 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.845 2.709 8.926 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.471 3.199 7.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.971 3.737 10.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 0.764 5.178 9.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.463 4.632 10.299 1.00 0.00 H new ATOM 1336 N GLN A 85 -1.451 8.102 8.161 1.00 0.00 N ATOM 1337 CA GLN A 85 -0.807 8.865 9.190 1.00 0.00 C ATOM 1338 C GLN A 85 -1.349 10.308 9.189 1.00 0.00 C ATOM 1339 O GLN A 85 -1.488 10.928 10.239 1.00 0.00 O ATOM 1340 CB GLN A 85 0.724 8.830 9.068 1.00 0.00 C ATOM 1341 CG GLN A 85 1.294 9.622 7.919 1.00 0.00 C ATOM 1342 CD GLN A 85 2.765 9.906 8.079 1.00 0.00 C ATOM 1343 OE1 GLN A 85 3.607 9.149 7.652 1.00 0.00 O ATOM 1344 NE2 GLN A 85 3.083 11.010 8.698 1.00 0.00 N ATOM 0 H GLN A 85 -0.863 7.863 7.363 1.00 0.00 H new ATOM 0 HA GLN A 85 -1.043 8.406 10.150 1.00 0.00 H new ATOM 0 HB2 GLN A 85 1.155 9.205 9.996 1.00 0.00 H new ATOM 0 HB3 GLN A 85 1.041 7.792 8.966 1.00 0.00 H new ATOM 0 HG2 GLN A 85 1.133 9.074 6.991 1.00 0.00 H new ATOM 0 HG3 GLN A 85 0.754 10.565 7.830 1.00 0.00 H new ATOM 0 HE21 GLN A 85 2.351 11.628 9.047 1.00 0.00 H new ATOM 0 HE22 GLN A 85 4.064 11.255 8.833 1.00 0.00 H new ATOM 1353 N LEU A 86 -1.676 10.818 8.006 1.00 0.00 N ATOM 1354 CA LEU A 86 -2.244 12.159 7.887 1.00 0.00 C ATOM 1355 C LEU A 86 -3.757 12.157 8.111 1.00 0.00 C ATOM 1356 O LEU A 86 -4.315 13.118 8.645 1.00 0.00 O ATOM 1357 CB LEU A 86 -1.865 12.823 6.539 1.00 0.00 C ATOM 1358 CG LEU A 86 -0.575 13.668 6.516 1.00 0.00 C ATOM 1359 CD1 LEU A 86 -0.706 14.870 7.419 1.00 0.00 C ATOM 1360 CD2 LEU A 86 0.620 12.871 6.933 1.00 0.00 C ATOM 0 H LEU A 86 -1.559 10.327 7.120 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.805 12.765 8.680 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.770 12.038 5.789 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.694 13.460 6.230 1.00 0.00 H new ATOM 0 HG LEU A 86 -0.432 13.996 5.486 1.00 0.00 H new ATOM 0 HD11 LEU A 86 0.216 15.451 7.387 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.537 15.489 7.082 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -0.891 14.539 8.441 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.507 13.503 6.903 1.00 0.00 H new ATOM 0 HD22 LEU A 86 0.473 12.499 7.947 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.751 12.029 6.253 1.00 0.00 H new ATOM 1372 N GLN A 87 -4.400 11.065 7.739 1.00 0.00 N ATOM 1373 CA GLN A 87 -5.845 10.908 7.883 1.00 0.00 C ATOM 1374 C GLN A 87 -6.279 10.940 9.349 1.00 0.00 C ATOM 1375 O GLN A 87 -7.292 11.551 9.694 1.00 0.00 O ATOM 1376 CB GLN A 87 -6.301 9.593 7.232 1.00 0.00 C ATOM 1377 CG GLN A 87 -7.793 9.324 7.343 1.00 0.00 C ATOM 1378 CD GLN A 87 -8.210 8.030 6.681 1.00 0.00 C ATOM 1379 OE1 GLN A 87 -8.565 8.006 5.511 1.00 0.00 O ATOM 1380 NE2 GLN A 87 -8.169 6.953 7.415 1.00 0.00 N ATOM 0 H GLN A 87 -3.937 10.255 7.326 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.318 11.750 7.378 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -6.024 9.608 6.178 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -5.760 8.767 7.692 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -8.074 9.294 8.396 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -8.340 10.151 6.890 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -7.868 7.010 8.388 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -8.438 6.054 7.016 1.00 0.00 H new ATOM 1389 N GLN A 88 -5.478 10.340 10.208 1.00 0.00 N ATOM 1390 CA GLN A 88 -5.841 10.198 11.619 1.00 0.00 C ATOM 1391 C GLN A 88 -5.408 11.398 12.446 1.00 0.00 C ATOM 1392 O GLN A 88 -5.544 11.417 13.680 1.00 0.00 O ATOM 1393 CB GLN A 88 -5.249 8.927 12.184 1.00 0.00 C ATOM 1394 CG GLN A 88 -3.733 8.897 12.245 1.00 0.00 C ATOM 1395 CD GLN A 88 -3.212 7.545 12.659 1.00 0.00 C ATOM 1396 OE1 GLN A 88 -3.041 7.262 13.843 1.00 0.00 O ATOM 1397 NE2 GLN A 88 -2.966 6.703 11.697 1.00 0.00 N ATOM 0 H GLN A 88 -4.572 9.941 9.962 1.00 0.00 H new ATOM 0 HA GLN A 88 -6.928 10.144 11.673 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -5.641 8.777 13.190 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -5.590 8.086 11.581 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.326 9.159 11.269 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.383 9.652 12.949 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -3.121 6.977 10.727 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -2.618 5.769 11.913 1.00 0.00 H new ATOM 1406 N GLY A 89 -4.879 12.364 11.783 1.00 0.00 N ATOM 1407 CA GLY A 89 -4.464 13.564 12.443 1.00 0.00 C ATOM 1408 C GLY A 89 -5.465 14.678 12.244 1.00 0.00 C ATOM 1409 O GLY A 89 -6.665 14.478 12.406 1.00 0.00 O ATOM 0 H GLY A 89 -4.720 12.352 10.776 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.340 13.371 13.508 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.492 13.874 12.060 1.00 0.00 H new ATOM 1413 N GLN A 90 -4.980 15.821 11.852 1.00 0.00 N ATOM 1414 CA GLN A 90 -5.814 17.005 11.643 1.00 0.00 C ATOM 1415 C GLN A 90 -6.239 17.104 10.189 1.00 0.00 C ATOM 1416 O GLN A 90 -7.045 17.969 9.802 1.00 0.00 O ATOM 1417 CB GLN A 90 -5.026 18.255 12.011 1.00 0.00 C ATOM 1418 CG GLN A 90 -3.731 18.417 11.225 1.00 0.00 C ATOM 1419 CD GLN A 90 -3.004 19.695 11.536 1.00 0.00 C ATOM 1420 OE1 GLN A 90 -2.171 19.748 12.441 1.00 0.00 O ATOM 1421 NE2 GLN A 90 -3.294 20.721 10.792 1.00 0.00 N ATOM 0 H GLN A 90 -3.990 15.975 11.663 1.00 0.00 H new ATOM 0 HA GLN A 90 -6.700 16.921 12.272 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -5.653 19.131 11.845 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -4.793 18.227 13.075 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -3.076 17.573 11.439 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -3.955 18.384 10.159 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -3.991 20.634 10.052 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -2.825 21.613 10.948 1.00 0.00 H new ATOM 1430 N GLY A 91 -5.673 16.257 9.399 1.00 0.00 N ATOM 1431 CA GLY A 91 -5.909 16.272 7.997 1.00 0.00 C ATOM 1432 C GLY A 91 -4.613 16.480 7.297 1.00 0.00 C ATOM 1433 O GLY A 91 -3.562 16.126 7.835 1.00 0.00 O ATOM 0 H GLY A 91 -5.029 15.530 9.710 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.363 15.333 7.680 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.609 17.067 7.740 1.00 0.00 H new ATOM 1437 N GLY A 92 -4.637 17.085 6.150 1.00 0.00 N ATOM 1438 CA GLY A 92 -3.429 17.267 5.424 1.00 0.00 C ATOM 1439 C GLY A 92 -3.432 16.474 4.184 1.00 0.00 C ATOM 1440 O GLY A 92 -2.741 16.801 3.273 1.00 0.00 O ATOM 0 H GLY A 92 -5.475 17.457 5.703 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -3.301 18.323 5.184 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -2.581 16.976 6.044 1.00 0.00 H new ATOM 1444 N GLN A 93 -4.278 15.471 4.138 1.00 0.00 N ATOM 1445 CA GLN A 93 -4.390 14.539 3.007 1.00 0.00 C ATOM 1446 C GLN A 93 -4.546 15.287 1.688 1.00 0.00 C ATOM 1447 O GLN A 93 -3.977 14.908 0.689 1.00 0.00 O ATOM 1448 CB GLN A 93 -5.599 13.635 3.195 1.00 0.00 C ATOM 1449 CG GLN A 93 -5.624 12.863 4.491 1.00 0.00 C ATOM 1450 CD GLN A 93 -6.858 12.004 4.598 1.00 0.00 C ATOM 1451 OE1 GLN A 93 -6.858 10.849 4.197 1.00 0.00 O ATOM 1452 NE2 GLN A 93 -7.920 12.561 5.117 1.00 0.00 N ATOM 0 H GLN A 93 -4.928 15.264 4.896 1.00 0.00 H new ATOM 0 HA GLN A 93 -3.475 13.948 2.976 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -6.501 14.243 3.135 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.636 12.927 2.367 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.735 12.235 4.559 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -5.589 13.558 5.330 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -7.882 13.527 5.441 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -8.787 12.029 5.198 1.00 0.00 H new ATOM 1461 N GLN A 94 -5.284 16.376 1.726 1.00 0.00 N ATOM 1462 CA GLN A 94 -5.545 17.173 0.540 1.00 0.00 C ATOM 1463 C GLN A 94 -4.345 18.039 0.156 1.00 0.00 C ATOM 1464 O GLN A 94 -4.108 18.279 -1.018 1.00 0.00 O ATOM 1465 CB GLN A 94 -6.755 18.053 0.751 1.00 0.00 C ATOM 1466 CG GLN A 94 -6.610 18.987 1.925 1.00 0.00 C ATOM 1467 CD GLN A 94 -7.761 19.943 2.047 1.00 0.00 C ATOM 1468 OE1 GLN A 94 -7.728 21.046 1.492 1.00 0.00 O ATOM 1469 NE2 GLN A 94 -8.787 19.538 2.734 1.00 0.00 N ATOM 0 H GLN A 94 -5.720 16.735 2.575 1.00 0.00 H new ATOM 0 HA GLN A 94 -5.735 16.477 -0.277 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -6.933 18.638 -0.151 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -7.632 17.424 0.901 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -6.529 18.403 2.842 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -5.683 19.551 1.824 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -8.774 18.619 3.177 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -9.606 20.139 2.830 1.00 0.00 H new ATOM 1478 N GLN A 95 -3.589 18.505 1.139 1.00 0.00 N ATOM 1479 CA GLN A 95 -2.445 19.342 0.838 1.00 0.00 C ATOM 1480 C GLN A 95 -1.262 18.466 0.483 1.00 0.00 C ATOM 1481 O GLN A 95 -0.582 18.685 -0.503 1.00 0.00 O ATOM 1482 CB GLN A 95 -2.105 20.328 1.974 1.00 0.00 C ATOM 1483 CG GLN A 95 -1.614 19.728 3.262 1.00 0.00 C ATOM 1484 CD GLN A 95 -1.263 20.777 4.308 1.00 0.00 C ATOM 1485 OE1 GLN A 95 -0.871 21.904 3.983 1.00 0.00 O ATOM 1486 NE2 GLN A 95 -1.369 20.418 5.558 1.00 0.00 N ATOM 0 H GLN A 95 -3.744 18.321 2.130 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.701 19.966 -0.019 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.345 21.019 1.609 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -2.995 20.918 2.191 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -2.380 19.064 3.663 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.735 19.115 3.060 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -1.696 19.481 5.794 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.125 21.075 6.300 1.00 0.00 H new ATOM 1495 N VAL A 96 -1.095 17.438 1.283 1.00 0.00 N ATOM 1496 CA VAL A 96 -0.066 16.409 1.141 1.00 0.00 C ATOM 1497 C VAL A 96 -0.270 15.613 -0.157 1.00 0.00 C ATOM 1498 O VAL A 96 0.673 15.024 -0.693 1.00 0.00 O ATOM 1499 CB VAL A 96 -0.048 15.452 2.392 1.00 0.00 C ATOM 1500 CG1 VAL A 96 0.974 14.355 2.247 1.00 0.00 C ATOM 1501 CG2 VAL A 96 0.209 16.243 3.678 1.00 0.00 C ATOM 0 H VAL A 96 -1.697 17.280 2.092 1.00 0.00 H new ATOM 0 HA VAL A 96 0.903 16.905 1.086 1.00 0.00 H new ATOM 0 HB VAL A 96 -1.031 14.986 2.452 1.00 0.00 H new ATOM 0 HG11 VAL A 96 0.953 13.719 3.132 1.00 0.00 H new ATOM 0 HG12 VAL A 96 0.744 13.758 1.365 1.00 0.00 H new ATOM 0 HG13 VAL A 96 1.966 14.794 2.140 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.217 15.562 4.529 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.173 16.748 3.608 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -0.579 16.983 3.814 1.00 0.00 H new ATOM 1511 N GLN A 97 -1.504 15.633 -0.657 1.00 0.00 N ATOM 1512 CA GLN A 97 -1.913 14.948 -1.895 1.00 0.00 C ATOM 1513 C GLN A 97 -0.923 15.179 -3.041 1.00 0.00 C ATOM 1514 O GLN A 97 -0.505 14.235 -3.710 1.00 0.00 O ATOM 1515 CB GLN A 97 -3.282 15.453 -2.303 1.00 0.00 C ATOM 1516 CG GLN A 97 -3.861 14.816 -3.540 1.00 0.00 C ATOM 1517 CD GLN A 97 -5.220 15.400 -3.859 1.00 0.00 C ATOM 1518 OE1 GLN A 97 -6.255 14.925 -3.381 1.00 0.00 O ATOM 1519 NE2 GLN A 97 -5.236 16.418 -4.679 1.00 0.00 N ATOM 0 H GLN A 97 -2.269 16.136 -0.207 1.00 0.00 H new ATOM 0 HA GLN A 97 -1.936 13.877 -1.695 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -3.972 15.292 -1.475 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -3.221 16.529 -2.463 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -3.187 14.969 -4.383 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -3.948 13.739 -3.393 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -4.361 16.784 -5.055 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -6.123 16.846 -4.943 1.00 0.00 H new ATOM 1528 N GLN A 98 -0.505 16.424 -3.216 1.00 0.00 N ATOM 1529 CA GLN A 98 0.409 16.799 -4.292 1.00 0.00 C ATOM 1530 C GLN A 98 1.792 16.153 -4.128 1.00 0.00 C ATOM 1531 O GLN A 98 2.556 16.060 -5.084 1.00 0.00 O ATOM 1532 CB GLN A 98 0.569 18.311 -4.354 1.00 0.00 C ATOM 1533 CG GLN A 98 1.233 18.901 -3.130 1.00 0.00 C ATOM 1534 CD GLN A 98 1.334 20.391 -3.191 1.00 0.00 C ATOM 1535 OE1 GLN A 98 2.311 20.940 -3.703 1.00 0.00 O ATOM 1536 NE2 GLN A 98 0.358 21.054 -2.656 1.00 0.00 N ATOM 0 H GLN A 98 -0.787 17.202 -2.620 1.00 0.00 H new ATOM 0 HA GLN A 98 -0.031 16.434 -5.220 1.00 0.00 H new ATOM 0 HB2 GLN A 98 1.156 18.570 -5.235 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.413 18.767 -4.479 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.669 18.615 -2.242 1.00 0.00 H new ATOM 0 HG3 GLN A 98 2.232 18.477 -3.023 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -0.431 20.556 -2.244 1.00 0.00 H new ATOM 0 HE22 GLN A 98 0.379 22.074 -2.647 1.00 0.00 H new ATOM 1545 N MET A 99 2.104 15.704 -2.946 1.00 0.00 N ATOM 1546 CA MET A 99 3.397 15.139 -2.693 1.00 0.00 C ATOM 1547 C MET A 99 3.296 13.645 -2.752 1.00 0.00 C ATOM 1548 O MET A 99 4.095 12.993 -3.400 1.00 0.00 O ATOM 1549 CB MET A 99 3.904 15.582 -1.346 1.00 0.00 C ATOM 1550 CG MET A 99 5.398 15.822 -1.282 1.00 0.00 C ATOM 1551 SD MET A 99 5.953 17.107 -2.431 1.00 0.00 S ATOM 1552 CE MET A 99 7.701 17.174 -2.037 1.00 0.00 C ATOM 0 H MET A 99 1.478 15.719 -2.141 1.00 0.00 H new ATOM 0 HA MET A 99 4.102 15.483 -3.450 1.00 0.00 H new ATOM 0 HB2 MET A 99 3.389 16.500 -1.063 1.00 0.00 H new ATOM 0 HB3 MET A 99 3.639 14.827 -0.606 1.00 0.00 H new ATOM 0 HG2 MET A 99 5.672 16.106 -0.266 1.00 0.00 H new ATOM 0 HG3 MET A 99 5.921 14.892 -1.505 1.00 0.00 H new ATOM 0 HE1 MET A 99 8.187 17.922 -2.663 1.00 0.00 H new ATOM 0 HE2 MET A 99 7.828 17.441 -0.988 1.00 0.00 H new ATOM 0 HE3 MET A 99 8.153 16.199 -2.220 1.00 0.00 H new ATOM 1562 N VAL A 100 2.285 13.101 -2.111 1.00 0.00 N ATOM 1563 CA VAL A 100 2.065 11.664 -2.144 1.00 0.00 C ATOM 1564 C VAL A 100 1.726 11.181 -3.575 1.00 0.00 C ATOM 1565 O VAL A 100 1.978 10.037 -3.928 1.00 0.00 O ATOM 1566 CB VAL A 100 1.008 11.187 -1.095 1.00 0.00 C ATOM 1567 CG1 VAL A 100 -0.313 11.880 -1.282 1.00 0.00 C ATOM 1568 CG2 VAL A 100 0.831 9.679 -1.142 1.00 0.00 C ATOM 0 H VAL A 100 1.603 13.625 -1.562 1.00 0.00 H new ATOM 0 HA VAL A 100 3.005 11.195 -1.852 1.00 0.00 H new ATOM 0 HB VAL A 100 1.389 11.457 -0.110 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -1.021 11.522 -0.534 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -0.179 12.956 -1.169 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -0.698 11.666 -2.279 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.090 9.376 -0.402 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.493 9.383 -2.135 1.00 0.00 H new ATOM 0 HG23 VAL A 100 1.782 9.194 -0.923 1.00 0.00 H new ATOM 1578 N LYS A 101 1.189 12.061 -4.413 1.00 0.00 N ATOM 1579 CA LYS A 101 0.949 11.707 -5.810 1.00 0.00 C ATOM 1580 C LYS A 101 2.267 11.398 -6.560 1.00 0.00 C ATOM 1581 O LYS A 101 2.268 10.676 -7.551 1.00 0.00 O ATOM 1582 CB LYS A 101 0.085 12.768 -6.515 1.00 0.00 C ATOM 1583 CG LYS A 101 0.719 14.123 -6.820 1.00 0.00 C ATOM 1584 CD LYS A 101 1.460 14.126 -8.153 1.00 0.00 C ATOM 1585 CE LYS A 101 1.875 15.530 -8.578 1.00 0.00 C ATOM 1586 NZ LYS A 101 2.950 16.116 -7.748 1.00 0.00 N ATOM 0 H LYS A 101 0.915 13.010 -4.157 1.00 0.00 H new ATOM 0 HA LYS A 101 0.374 10.781 -5.827 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -0.263 12.343 -7.456 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.797 12.943 -5.899 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.056 14.889 -6.835 1.00 0.00 H new ATOM 0 HG3 LYS A 101 1.412 14.386 -6.021 1.00 0.00 H new ATOM 0 HD2 LYS A 101 2.345 13.495 -8.076 1.00 0.00 H new ATOM 0 HD3 LYS A 101 0.823 13.689 -8.922 1.00 0.00 H new ATOM 0 HE2 LYS A 101 2.206 15.501 -9.616 1.00 0.00 H new ATOM 0 HE3 LYS A 101 1.003 16.183 -8.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.864 17.152 -7.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 2.867 15.764 -6.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.876 15.844 -8.136 1.00 0.00 H new ATOM 1600 N LYS A 102 3.385 11.920 -6.049 1.00 0.00 N ATOM 1601 CA LYS A 102 4.707 11.633 -6.602 1.00 0.00 C ATOM 1602 C LYS A 102 5.063 10.166 -6.396 1.00 0.00 C ATOM 1603 O LYS A 102 5.827 9.597 -7.161 1.00 0.00 O ATOM 1604 CB LYS A 102 5.751 12.491 -5.924 1.00 0.00 C ATOM 1605 CG LYS A 102 5.658 13.973 -6.236 1.00 0.00 C ATOM 1606 CD LYS A 102 6.457 14.792 -5.235 1.00 0.00 C ATOM 1607 CE LYS A 102 7.906 14.345 -5.137 1.00 0.00 C ATOM 1608 NZ LYS A 102 8.677 14.617 -6.366 1.00 0.00 N ATOM 0 H LYS A 102 3.398 12.549 -5.246 1.00 0.00 H new ATOM 0 HA LYS A 102 4.685 11.854 -7.669 1.00 0.00 H new ATOM 0 HB2 LYS A 102 5.668 12.355 -4.846 1.00 0.00 H new ATOM 0 HB3 LYS A 102 6.739 12.134 -6.215 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.030 14.160 -7.243 1.00 0.00 H new ATOM 0 HG3 LYS A 102 4.614 14.287 -6.218 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.424 15.843 -5.522 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.990 14.715 -4.253 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.381 14.852 -4.297 1.00 0.00 H new ATOM 0 HE3 LYS A 102 7.937 13.277 -4.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 9.657 14.291 -6.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.244 14.113 -7.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 8.674 15.639 -6.559 1.00 0.00 H new ATOM 1622 N ALA A 103 4.473 9.554 -5.363 1.00 0.00 N ATOM 1623 CA ALA A 103 4.702 8.134 -5.065 1.00 0.00 C ATOM 1624 C ALA A 103 4.252 7.267 -6.229 1.00 0.00 C ATOM 1625 O ALA A 103 4.837 6.248 -6.524 1.00 0.00 O ATOM 1626 CB ALA A 103 3.976 7.708 -3.794 1.00 0.00 C ATOM 0 H ALA A 103 3.833 10.019 -4.719 1.00 0.00 H new ATOM 0 HA ALA A 103 5.772 7.999 -4.909 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.167 6.652 -3.603 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.337 8.300 -2.953 1.00 0.00 H new ATOM 0 HB3 ALA A 103 2.905 7.867 -3.916 1.00 0.00 H new ATOM 1632 N GLN A 104 3.260 7.744 -6.933 1.00 0.00 N ATOM 1633 CA GLN A 104 2.676 7.033 -8.054 1.00 0.00 C ATOM 1634 C GLN A 104 3.659 7.010 -9.239 1.00 0.00 C ATOM 1635 O GLN A 104 3.571 6.172 -10.126 1.00 0.00 O ATOM 1636 CB GLN A 104 1.390 7.742 -8.441 1.00 0.00 C ATOM 1637 CG GLN A 104 0.431 7.934 -7.260 1.00 0.00 C ATOM 1638 CD GLN A 104 -0.786 8.765 -7.605 1.00 0.00 C ATOM 1639 OE1 GLN A 104 -0.626 9.726 -8.479 1.00 0.00 O flip ATOM 1640 NE2 GLN A 104 -1.859 8.569 -7.055 1.00 0.00 N flip ATOM 0 H GLN A 104 2.825 8.648 -6.747 1.00 0.00 H new ATOM 0 HA GLN A 104 2.463 6.000 -7.778 1.00 0.00 H new ATOM 0 HB2 GLN A 104 1.633 8.716 -8.866 1.00 0.00 H new ATOM 0 HB3 GLN A 104 0.887 7.170 -9.221 1.00 0.00 H new ATOM 0 HG2 GLN A 104 0.106 6.957 -6.903 1.00 0.00 H new ATOM 0 HG3 GLN A 104 0.967 8.411 -6.440 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -1.954 7.812 -6.378 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -2.660 9.162 -7.273 1.00 0.00 H new ATOM 1649 N MET A 105 4.610 7.924 -9.213 1.00 0.00 N ATOM 1650 CA MET A 105 5.604 8.057 -10.273 1.00 0.00 C ATOM 1651 C MET A 105 6.839 7.250 -9.950 1.00 0.00 C ATOM 1652 O MET A 105 7.672 7.004 -10.816 1.00 0.00 O ATOM 1653 CB MET A 105 6.007 9.499 -10.436 1.00 0.00 C ATOM 1654 CG MET A 105 4.836 10.445 -10.538 1.00 0.00 C ATOM 1655 SD MET A 105 5.323 12.169 -10.775 1.00 0.00 S ATOM 1656 CE MET A 105 6.169 12.082 -12.353 1.00 0.00 C ATOM 0 H MET A 105 4.719 8.599 -8.456 1.00 0.00 H new ATOM 0 HA MET A 105 5.156 7.689 -11.196 1.00 0.00 H new ATOM 0 HB2 MET A 105 6.628 9.792 -9.589 1.00 0.00 H new ATOM 0 HB3 MET A 105 6.622 9.597 -11.331 1.00 0.00 H new ATOM 0 HG2 MET A 105 4.201 10.137 -11.369 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.235 10.366 -9.632 1.00 0.00 H new ATOM 0 HE1 MET A 105 6.243 13.081 -12.782 1.00 0.00 H new ATOM 0 HE2 MET A 105 7.169 11.675 -12.207 1.00 0.00 H new ATOM 0 HE3 MET A 105 5.610 11.437 -13.031 1.00 0.00 H new ATOM 1666 N LEU A 106 6.955 6.842 -8.703 1.00 0.00 N ATOM 1667 CA LEU A 106 8.119 6.081 -8.223 1.00 0.00 C ATOM 1668 C LEU A 106 8.358 4.801 -9.046 1.00 0.00 C ATOM 1669 O LEU A 106 9.502 4.527 -9.427 1.00 0.00 O ATOM 1670 CB LEU A 106 8.013 5.758 -6.727 1.00 0.00 C ATOM 1671 CG LEU A 106 7.986 6.951 -5.772 1.00 0.00 C ATOM 1672 CD1 LEU A 106 7.777 6.481 -4.343 1.00 0.00 C ATOM 1673 CD2 LEU A 106 9.261 7.761 -5.864 1.00 0.00 C ATOM 0 H LEU A 106 6.253 7.022 -7.985 1.00 0.00 H new ATOM 0 HA LEU A 106 8.986 6.726 -8.364 1.00 0.00 H new ATOM 0 HB2 LEU A 106 7.107 5.173 -6.568 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.855 5.122 -6.455 1.00 0.00 H new ATOM 0 HG LEU A 106 7.154 7.590 -6.066 1.00 0.00 H new ATOM 0 HD11 LEU A 106 7.760 7.342 -3.675 1.00 0.00 H new ATOM 0 HD12 LEU A 106 6.829 5.947 -4.270 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.591 5.816 -4.056 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.209 8.602 -5.172 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.112 7.131 -5.606 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.382 8.135 -6.881 1.00 0.00 H new ATOM 1685 N PRO A 107 7.298 3.983 -9.346 1.00 0.00 N ATOM 1686 CA PRO A 107 7.435 2.822 -10.211 1.00 0.00 C ATOM 1687 C PRO A 107 7.956 3.168 -11.604 1.00 0.00 C ATOM 1688 O PRO A 107 8.573 2.333 -12.249 1.00 0.00 O ATOM 1689 CB PRO A 107 6.024 2.223 -10.279 1.00 0.00 C ATOM 1690 CG PRO A 107 5.124 3.293 -9.788 1.00 0.00 C ATOM 1691 CD PRO A 107 5.929 4.064 -8.800 1.00 0.00 C ATOM 0 HA PRO A 107 8.173 2.125 -9.814 1.00 0.00 H new ATOM 0 HB2 PRO A 107 5.769 1.930 -11.298 1.00 0.00 H new ATOM 0 HB3 PRO A 107 5.946 1.328 -9.661 1.00 0.00 H new ATOM 0 HG2 PRO A 107 4.790 3.931 -10.606 1.00 0.00 H new ATOM 0 HG3 PRO A 107 4.231 2.874 -9.325 1.00 0.00 H new ATOM 0 HD2 PRO A 107 5.588 5.096 -8.720 1.00 0.00 H new ATOM 0 HD3 PRO A 107 5.867 3.629 -7.802 1.00 0.00 H new ATOM 1699 N ASN A 108 7.746 4.388 -12.043 1.00 0.00 N ATOM 1700 CA ASN A 108 8.212 4.808 -13.316 1.00 0.00 C ATOM 1701 C ASN A 108 9.686 5.173 -13.206 1.00 0.00 C ATOM 1702 O ASN A 108 10.520 4.697 -13.972 1.00 0.00 O ATOM 1703 CB ASN A 108 7.407 6.022 -13.762 1.00 0.00 C ATOM 1704 CG ASN A 108 5.930 5.743 -13.974 1.00 0.00 C ATOM 1705 OD1 ASN A 108 5.127 5.844 -13.045 1.00 0.00 O ATOM 1706 ND2 ASN A 108 5.554 5.407 -15.183 1.00 0.00 N ATOM 0 H ASN A 108 7.247 5.106 -11.518 1.00 0.00 H new ATOM 0 HA ASN A 108 8.092 4.008 -14.047 1.00 0.00 H new ATOM 0 HB2 ASN A 108 7.513 6.809 -13.016 1.00 0.00 H new ATOM 0 HB3 ASN A 108 7.831 6.404 -14.691 1.00 0.00 H new ATOM 0 HD21 ASN A 108 4.570 5.220 -15.378 1.00 0.00 H new ATOM 0 HD22 ASN A 108 6.245 5.332 -15.930 1.00 0.00 H new ATOM 1713 N GLN A 109 9.999 5.959 -12.185 1.00 0.00 N ATOM 1714 CA GLN A 109 11.352 6.479 -11.950 1.00 0.00 C ATOM 1715 C GLN A 109 12.341 5.387 -11.582 1.00 0.00 C ATOM 1716 O GLN A 109 13.481 5.409 -12.011 1.00 0.00 O ATOM 1717 CB GLN A 109 11.325 7.524 -10.844 1.00 0.00 C ATOM 1718 CG GLN A 109 10.455 8.713 -11.161 1.00 0.00 C ATOM 1719 CD GLN A 109 10.360 9.692 -10.023 1.00 0.00 C ATOM 1720 OE1 GLN A 109 11.286 9.841 -9.229 1.00 0.00 O ATOM 1721 NE2 GLN A 109 9.259 10.374 -9.949 1.00 0.00 N ATOM 0 H GLN A 109 9.319 6.260 -11.486 1.00 0.00 H new ATOM 0 HA GLN A 109 11.685 6.926 -12.886 1.00 0.00 H new ATOM 0 HB2 GLN A 109 10.970 7.059 -9.924 1.00 0.00 H new ATOM 0 HB3 GLN A 109 12.342 7.868 -10.655 1.00 0.00 H new ATOM 0 HG2 GLN A 109 10.852 9.223 -12.039 1.00 0.00 H new ATOM 0 HG3 GLN A 109 9.454 8.366 -11.419 1.00 0.00 H new ATOM 0 HE21 GLN A 109 8.516 10.218 -10.630 1.00 0.00 H new ATOM 0 HE22 GLN A 109 9.137 11.066 -9.210 1.00 0.00 H new ATOM 1730 N CYS A 110 11.904 4.436 -10.806 1.00 0.00 N ATOM 1731 CA CYS A 110 12.788 3.372 -10.348 1.00 0.00 C ATOM 1732 C CYS A 110 12.760 2.196 -11.331 1.00 0.00 C ATOM 1733 O CYS A 110 13.507 1.226 -11.178 1.00 0.00 O ATOM 1734 CB CYS A 110 12.350 2.928 -8.951 1.00 0.00 C ATOM 1735 SG CYS A 110 13.535 1.865 -8.038 1.00 0.00 S ATOM 0 H CYS A 110 10.943 4.365 -10.471 1.00 0.00 H new ATOM 0 HA CYS A 110 13.813 3.740 -10.300 1.00 0.00 H new ATOM 0 HB2 CYS A 110 12.155 3.818 -8.353 1.00 0.00 H new ATOM 0 HB3 CYS A 110 11.406 2.391 -9.041 1.00 0.00 H new ATOM 1740 N ASN A 111 11.896 2.314 -12.347 1.00 0.00 N ATOM 1741 CA ASN A 111 11.691 1.285 -13.387 1.00 0.00 C ATOM 1742 C ASN A 111 11.217 -0.011 -12.740 1.00 0.00 C ATOM 1743 O ASN A 111 11.896 -1.044 -12.735 1.00 0.00 O ATOM 1744 CB ASN A 111 12.948 1.055 -14.255 1.00 0.00 C ATOM 1745 CG ASN A 111 12.675 0.210 -15.496 1.00 0.00 C ATOM 1746 OD1 ASN A 111 12.357 0.735 -16.553 1.00 0.00 O ATOM 1747 ND2 ASN A 111 12.793 -1.086 -15.384 1.00 0.00 N ATOM 0 H ASN A 111 11.308 3.138 -12.476 1.00 0.00 H new ATOM 0 HA ASN A 111 10.921 1.648 -14.067 1.00 0.00 H new ATOM 0 HB2 ASN A 111 13.351 2.020 -14.562 1.00 0.00 H new ATOM 0 HB3 ASN A 111 13.714 0.567 -13.652 1.00 0.00 H new ATOM 0 HD21 ASN A 111 12.618 -1.686 -16.190 1.00 0.00 H new ATOM 0 HD22 ASN A 111 13.060 -1.498 -14.490 1.00 0.00 H new ATOM 1754 N LEU A 112 10.103 0.094 -12.107 1.00 0.00 N ATOM 1755 CA LEU A 112 9.491 -1.006 -11.405 1.00 0.00 C ATOM 1756 C LEU A 112 8.530 -1.756 -12.299 1.00 0.00 C ATOM 1757 O LEU A 112 8.094 -1.232 -13.324 1.00 0.00 O ATOM 1758 CB LEU A 112 8.823 -0.511 -10.119 1.00 0.00 C ATOM 1759 CG LEU A 112 9.756 0.310 -9.223 1.00 0.00 C ATOM 1760 CD1 LEU A 112 9.126 0.682 -7.889 1.00 0.00 C ATOM 1761 CD2 LEU A 112 11.058 -0.418 -9.025 1.00 0.00 C ATOM 0 H LEU A 112 9.570 0.962 -12.054 1.00 0.00 H new ATOM 0 HA LEU A 112 10.268 -1.715 -11.118 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.956 0.096 -10.380 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.454 -1.369 -9.557 1.00 0.00 H new ATOM 0 HG LEU A 112 9.948 1.252 -9.738 1.00 0.00 H new ATOM 0 HD11 LEU A 112 9.836 1.262 -7.300 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.229 1.276 -8.063 1.00 0.00 H new ATOM 0 HD13 LEU A 112 8.861 -0.225 -7.346 1.00 0.00 H new ATOM 0 HD21 LEU A 112 11.713 0.175 -8.387 1.00 0.00 H new ATOM 0 HD22 LEU A 112 10.868 -1.382 -8.554 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.538 -0.575 -9.991 1.00 0.00 H new ATOM 1773 N GLN A 113 8.224 -2.993 -11.925 1.00 0.00 N ATOM 1774 CA GLN A 113 7.338 -3.915 -12.697 1.00 0.00 C ATOM 1775 C GLN A 113 5.857 -3.475 -12.679 1.00 0.00 C ATOM 1776 O GLN A 113 4.942 -4.280 -12.895 1.00 0.00 O ATOM 1777 CB GLN A 113 7.444 -5.318 -12.109 1.00 0.00 C ATOM 1778 CG GLN A 113 8.860 -5.862 -11.983 1.00 0.00 C ATOM 1779 CD GLN A 113 9.573 -6.048 -13.302 1.00 0.00 C ATOM 1780 OE1 GLN A 113 10.274 -5.152 -13.786 1.00 0.00 O ATOM 1781 NE2 GLN A 113 9.415 -7.199 -13.888 1.00 0.00 N ATOM 0 H GLN A 113 8.581 -3.409 -11.065 1.00 0.00 H new ATOM 0 HA GLN A 113 7.674 -3.895 -13.734 1.00 0.00 H new ATOM 0 HB2 GLN A 113 6.983 -5.317 -11.121 1.00 0.00 H new ATOM 0 HB3 GLN A 113 6.864 -6.000 -12.730 1.00 0.00 H new ATOM 0 HG2 GLN A 113 9.443 -5.184 -11.360 1.00 0.00 H new ATOM 0 HG3 GLN A 113 8.824 -6.820 -11.464 1.00 0.00 H new ATOM 0 HE21 GLN A 113 8.829 -7.914 -13.458 1.00 0.00 H new ATOM 0 HE22 GLN A 113 9.878 -7.386 -14.778 1.00 0.00 H new ATOM 1790 N CYS A 114 5.653 -2.217 -12.522 1.00 0.00 N ATOM 1791 CA CYS A 114 4.374 -1.617 -12.341 1.00 0.00 C ATOM 1792 C CYS A 114 4.518 -0.161 -12.753 1.00 0.00 C ATOM 1793 O CYS A 114 5.639 0.353 -12.777 1.00 0.00 O ATOM 1794 CB CYS A 114 4.051 -1.660 -10.859 1.00 0.00 C ATOM 1795 SG CYS A 114 3.753 -3.301 -10.087 1.00 0.00 S ATOM 0 H CYS A 114 6.414 -1.538 -12.516 1.00 0.00 H new ATOM 0 HA CYS A 114 3.598 -2.123 -12.916 1.00 0.00 H new ATOM 0 HB2 CYS A 114 4.873 -1.184 -10.324 1.00 0.00 H new ATOM 0 HB3 CYS A 114 3.165 -1.047 -10.693 1.00 0.00 H new ATOM 1800 N SER A 115 3.439 0.485 -13.079 1.00 0.00 N ATOM 1801 CA SER A 115 3.453 1.885 -13.429 1.00 0.00 C ATOM 1802 C SER A 115 2.114 2.505 -13.062 1.00 0.00 C ATOM 1803 O SER A 115 1.068 1.939 -13.383 1.00 0.00 O ATOM 1804 CB SER A 115 3.769 2.032 -14.921 1.00 0.00 C ATOM 1805 OG SER A 115 3.015 1.095 -15.685 1.00 0.00 O ATOM 0 H SER A 115 2.514 0.057 -13.112 1.00 0.00 H new ATOM 0 HA SER A 115 4.228 2.413 -12.874 1.00 0.00 H new ATOM 0 HB2 SER A 115 3.540 3.046 -15.249 1.00 0.00 H new ATOM 0 HB3 SER A 115 4.834 1.875 -15.090 1.00 0.00 H new ATOM 0 HG SER A 115 2.146 0.947 -15.256 1.00 0.00 H new ATOM 1811 N ILE A 116 2.127 3.616 -12.369 1.00 0.00 N ATOM 1812 CA ILE A 116 0.891 4.227 -11.958 1.00 0.00 C ATOM 1813 C ILE A 116 0.707 5.526 -12.735 1.00 0.00 C ATOM 1814 O ILE A 116 1.059 6.604 -12.241 1.00 0.00 O ATOM 1815 CB ILE A 116 0.849 4.479 -10.416 1.00 0.00 C ATOM 1816 CG1 ILE A 116 1.198 3.182 -9.658 1.00 0.00 C ATOM 1817 CG2 ILE A 116 -0.547 4.950 -10.006 1.00 0.00 C ATOM 1818 CD1 ILE A 116 1.299 3.332 -8.150 1.00 0.00 C ATOM 1819 OXT ILE A 116 0.270 5.464 -13.899 1.00 0.00 O ATOM 0 H ILE A 116 2.971 4.111 -12.081 1.00 0.00 H new ATOM 0 HA ILE A 116 0.069 3.547 -12.179 1.00 0.00 H new ATOM 0 HB ILE A 116 1.580 5.248 -10.165 1.00 0.00 H new ATOM 0 HG12 ILE A 116 0.441 2.431 -9.884 1.00 0.00 H new ATOM 0 HG13 ILE A 116 2.147 2.802 -10.035 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -0.571 5.124 -8.930 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -0.787 5.876 -10.529 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -1.280 4.186 -10.266 1.00 0.00 H new ATOM 0 HD11 ILE A 116 1.548 2.369 -7.704 1.00 0.00 H new ATOM 0 HD12 ILE A 116 2.077 4.056 -7.908 1.00 0.00 H new ATOM 0 HD13 ILE A 116 0.345 3.679 -7.754 1.00 0.00 H new