USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 0 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 71 SER OG : rot -159:sc= 0 USER MOD Set 1.2: A 82 GLN : amide:sc= -0.131 K(o=-0.13,f=-1.1) USER MOD Set 2.1: A 58 THR OG1 : rot -81:sc= 0.0611 USER MOD Set 2.2: A 60 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 39 GLN : amide:sc= -0.701 K(o=-0.7,f=-2.4) USER MOD Set 3.2: A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 7 SER OG : rot 180:sc= -0.0862 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= -0.196 USER MOD Single : A 21 SER OG : rot 8:sc= 0.777 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot -74:sc= -4.24! USER MOD Single : A 30 SER OG : rot -150:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl -175:sc= -19.1! (180deg=-19.5!) USER MOD Single : A 35 SER OG : rot 180:sc= -0.403 USER MOD Single : A 43 LYS NZ :NH3+ 142:sc= -0.427 (180deg=-2.05!) USER MOD Single : A 49 SER OG : rot -48:sc= 0.717 USER MOD Single : A 52 SER OG : rot -140:sc= -5.47! USER MOD Single : A 54 SER OG : rot 32:sc= -0.135 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -3.15! C(o=-3.1!,f=-10!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0422) USER MOD Single : A 77 ASN : amide:sc= -0.211 K(o=-0.21,f=-3.1!) USER MOD Single : A 78 THR OG1 : rot 180:sc= -0.732 USER MOD Single : A 80 TYR OH : rot 158:sc= -0.58! USER MOD Single : A 83 MET CE :methyl -122:sc= -24.5! (180deg=-31.5!) USER MOD Single : A 84 ASN : amide:sc= -2.21! C(o=-2.2!,f=-8.4!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -30:sc= -1.1 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 TYR OH : rot -150:sc= 0.359 USER MOD Single : A 109 GLN :FLIP amide:sc= -0.0464 F(o=-1.9,f=-0.046) USER MOD Single : A 111 THR OG1 : rot 105:sc= 1.05 USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 10 N VAL A 2 -12.276 10.832 -13.110 1.00 0.00 N ATOM 11 CA VAL A 2 -11.365 9.773 -12.596 1.00 0.00 C ATOM 12 C VAL A 2 -12.154 8.468 -12.440 1.00 0.00 C ATOM 13 O VAL A 2 -13.364 8.472 -12.335 1.00 0.00 O ATOM 14 CB VAL A 2 -10.789 10.207 -11.244 1.00 0.00 C ATOM 15 CG1 VAL A 2 -9.464 9.485 -10.992 1.00 0.00 C ATOM 16 CG2 VAL A 2 -10.545 11.717 -11.260 1.00 0.00 C ATOM 0 HA VAL A 2 -10.543 9.616 -13.295 1.00 0.00 H new ATOM 0 HB VAL A 2 -11.495 9.955 -10.453 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -9.057 9.796 -10.030 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -9.632 8.408 -10.984 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -8.757 9.736 -11.783 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.135 12.030 -10.300 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -9.839 11.963 -12.053 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -11.487 12.236 -11.439 1.00 0.00 H new ATOM 17 N GLN A 3 -11.480 7.351 -12.434 1.00 0.00 N ATOM 18 CA GLN A 3 -12.190 6.041 -12.296 1.00 0.00 C ATOM 19 C GLN A 3 -11.124 4.958 -12.292 1.00 0.00 C ATOM 20 O GLN A 3 -10.453 4.747 -13.278 1.00 0.00 O ATOM 21 CB GLN A 3 -13.138 5.839 -13.480 1.00 0.00 C ATOM 22 CG GLN A 3 -13.930 4.543 -13.291 1.00 0.00 C ATOM 23 CD GLN A 3 -14.703 4.228 -14.572 1.00 0.00 C ATOM 24 OE1 GLN A 3 -14.135 4.195 -15.645 1.00 0.00 O ATOM 25 NE2 GLN A 3 -15.985 3.994 -14.507 1.00 0.00 N ATOM 0 H GLN A 3 -10.466 7.286 -12.519 1.00 0.00 H new ATOM 0 HA GLN A 3 -12.780 6.008 -11.380 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -13.820 6.685 -13.560 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -12.571 5.798 -14.410 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -13.254 3.723 -13.050 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -14.619 4.644 -12.453 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -16.463 4.021 -13.607 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -16.509 3.784 -15.357 1.00 0.00 H new ATOM 26 N LEU A 4 -10.907 4.320 -11.180 1.00 0.00 N ATOM 27 CA LEU A 4 -9.811 3.320 -11.124 1.00 0.00 C ATOM 28 C LEU A 4 -10.144 2.174 -10.165 1.00 0.00 C ATOM 29 O LEU A 4 -11.190 2.166 -9.549 1.00 0.00 O ATOM 30 CB LEU A 4 -8.548 4.035 -10.656 1.00 0.00 C ATOM 31 CG LEU A 4 -8.870 5.243 -9.764 1.00 0.00 C ATOM 32 CD1 LEU A 4 -9.488 6.390 -10.568 1.00 0.00 C ATOM 33 CD2 LEU A 4 -9.792 4.844 -8.611 1.00 0.00 C ATOM 0 H LEU A 4 -11.435 4.445 -10.316 1.00 0.00 H new ATOM 0 HA LEU A 4 -9.670 2.885 -12.113 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -7.918 3.336 -10.106 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -7.976 4.366 -11.523 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.927 5.596 -9.347 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -9.702 7.227 -9.903 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -8.789 6.710 -11.341 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -10.413 6.051 -11.034 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -10.004 5.718 -7.995 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -10.725 4.448 -9.012 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.305 4.081 -8.003 1.00 0.00 H new ATOM 34 N VAL A 5 -9.264 1.196 -10.024 1.00 0.00 N ATOM 35 CA VAL A 5 -9.583 0.064 -9.081 1.00 0.00 C ATOM 36 C VAL A 5 -8.503 -1.043 -9.067 1.00 0.00 C ATOM 37 O VAL A 5 -8.819 -2.199 -9.250 1.00 0.00 O ATOM 38 CB VAL A 5 -10.917 -0.582 -9.480 1.00 0.00 C ATOM 39 CG1 VAL A 5 -12.039 -0.041 -8.593 1.00 0.00 C ATOM 40 CG2 VAL A 5 -11.235 -0.279 -10.948 1.00 0.00 C ATOM 0 H VAL A 5 -8.367 1.133 -10.505 1.00 0.00 H new ATOM 0 HA VAL A 5 -9.629 0.503 -8.084 1.00 0.00 H new ATOM 0 HB VAL A 5 -10.837 -1.661 -9.349 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -12.984 -0.502 -8.880 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -11.823 -0.274 -7.550 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -12.111 1.040 -8.716 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.184 -0.743 -11.218 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -11.305 0.799 -11.090 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -10.443 -0.678 -11.582 1.00 0.00 H new ATOM 41 N GLU A 6 -7.261 -0.715 -8.796 1.00 0.00 N ATOM 42 CA GLU A 6 -6.171 -1.764 -8.717 1.00 0.00 C ATOM 43 C GLU A 6 -6.300 -2.822 -9.821 1.00 0.00 C ATOM 44 O GLU A 6 -7.199 -2.784 -10.636 1.00 0.00 O ATOM 45 CB GLU A 6 -6.201 -2.449 -7.340 1.00 0.00 C ATOM 46 CG GLU A 6 -7.585 -3.049 -7.045 1.00 0.00 C ATOM 47 CD GLU A 6 -7.865 -4.217 -7.995 1.00 0.00 C ATOM 48 OE1 GLU A 6 -6.925 -4.906 -8.352 1.00 0.00 O ATOM 49 OE2 GLU A 6 -9.018 -4.401 -8.349 1.00 0.00 O ATOM 0 H GLU A 6 -6.945 0.239 -8.624 1.00 0.00 H new ATOM 0 HA GLU A 6 -5.219 -1.253 -8.860 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -5.447 -3.235 -7.306 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.943 -1.726 -6.566 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -7.628 -3.392 -6.011 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -8.353 -2.284 -7.160 1.00 0.00 H new ATOM 50 N SER A 7 -5.387 -3.775 -9.855 1.00 0.00 N ATOM 51 CA SER A 7 -5.451 -4.844 -10.904 1.00 0.00 C ATOM 52 C SER A 7 -4.070 -5.473 -11.101 1.00 0.00 C ATOM 53 O SER A 7 -3.055 -4.878 -10.792 1.00 0.00 O ATOM 54 CB SER A 7 -5.913 -4.243 -12.233 1.00 0.00 C ATOM 55 OG SER A 7 -5.268 -4.920 -13.305 1.00 0.00 O ATOM 0 H SER A 7 -4.606 -3.855 -9.203 1.00 0.00 H new ATOM 0 HA SER A 7 -6.157 -5.607 -10.577 1.00 0.00 H new ATOM 0 HB2 SER A 7 -6.995 -4.333 -12.329 1.00 0.00 H new ATOM 0 HB3 SER A 7 -5.678 -3.179 -12.266 1.00 0.00 H new ATOM 0 HG SER A 7 -5.563 -4.538 -14.158 1.00 0.00 H new ATOM 56 N GLY A 8 -4.022 -6.668 -11.632 1.00 0.00 N ATOM 57 CA GLY A 8 -2.706 -7.324 -11.866 1.00 0.00 C ATOM 58 C GLY A 8 -2.738 -8.780 -11.397 1.00 0.00 C ATOM 59 O GLY A 8 -3.335 -9.634 -12.022 1.00 0.00 O ATOM 0 H GLY A 8 -4.836 -7.215 -11.912 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -2.457 -7.283 -12.926 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.924 -6.782 -11.334 1.00 0.00 H new ATOM 60 N GLY A 9 -2.083 -9.068 -10.306 1.00 0.00 N ATOM 61 CA GLY A 9 -2.048 -10.468 -9.792 1.00 0.00 C ATOM 62 C GLY A 9 -0.656 -11.055 -10.047 1.00 0.00 C ATOM 63 O GLY A 9 -0.295 -11.346 -11.171 1.00 0.00 O ATOM 0 H GLY A 9 -1.567 -8.390 -9.745 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -2.274 -10.484 -8.726 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -2.808 -11.071 -10.288 1.00 0.00 H new ATOM 64 N GLY A 10 0.137 -11.219 -9.022 1.00 0.00 N ATOM 65 CA GLY A 10 1.509 -11.772 -9.229 1.00 0.00 C ATOM 66 C GLY A 10 1.990 -12.498 -7.965 1.00 0.00 C ATOM 67 O GLY A 10 1.350 -12.467 -6.930 1.00 0.00 O ATOM 0 H GLY A 10 -0.103 -10.996 -8.056 1.00 0.00 H new ATOM 0 HA2 GLY A 10 1.506 -12.461 -10.073 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.199 -10.966 -9.478 1.00 0.00 H new ATOM 68 N LEU A 11 3.127 -13.142 -8.048 1.00 0.00 N ATOM 69 CA LEU A 11 3.680 -13.866 -6.865 1.00 0.00 C ATOM 70 C LEU A 11 5.052 -13.272 -6.523 1.00 0.00 C ATOM 71 O LEU A 11 5.787 -12.856 -7.396 1.00 0.00 O ATOM 72 CB LEU A 11 3.828 -15.355 -7.193 1.00 0.00 C ATOM 73 CG LEU A 11 2.602 -15.830 -7.979 1.00 0.00 C ATOM 74 CD1 LEU A 11 3.049 -16.404 -9.325 1.00 0.00 C ATOM 75 CD2 LEU A 11 1.874 -16.915 -7.180 1.00 0.00 C ATOM 0 H LEU A 11 3.699 -13.197 -8.891 1.00 0.00 H new ATOM 0 HA LEU A 11 3.006 -13.758 -6.015 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.734 -15.521 -7.776 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.930 -15.932 -6.274 1.00 0.00 H new ATOM 0 HG LEU A 11 1.930 -14.988 -8.148 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.177 -16.742 -9.884 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.569 -15.634 -9.894 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.720 -17.246 -9.157 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.001 -17.254 -7.738 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.547 -17.756 -7.012 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.555 -16.508 -6.220 1.00 0.00 H new ATOM 76 N VAL A 12 5.401 -13.214 -5.263 1.00 0.00 N ATOM 77 CA VAL A 12 6.723 -12.631 -4.884 1.00 0.00 C ATOM 78 C VAL A 12 7.444 -13.542 -3.908 1.00 0.00 C ATOM 79 O VAL A 12 7.760 -13.143 -2.806 1.00 0.00 O ATOM 80 CB VAL A 12 6.567 -11.263 -4.207 1.00 0.00 C ATOM 81 CG1 VAL A 12 6.543 -10.151 -5.257 1.00 0.00 C ATOM 82 CG2 VAL A 12 5.285 -11.224 -3.366 1.00 0.00 C ATOM 0 H VAL A 12 4.831 -13.543 -4.484 1.00 0.00 H new ATOM 0 HA VAL A 12 7.292 -12.521 -5.807 1.00 0.00 H new ATOM 0 HB VAL A 12 7.420 -11.105 -3.548 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.432 -9.186 -4.763 1.00 0.00 H new ATOM 0 HG12 VAL A 12 7.475 -10.164 -5.822 1.00 0.00 H new ATOM 0 HG13 VAL A 12 5.705 -10.310 -5.936 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.190 -10.247 -2.893 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.423 -11.401 -4.009 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.330 -11.996 -2.598 1.00 0.00 H new ATOM 83 N GLN A 13 7.728 -14.746 -4.296 1.00 0.00 N ATOM 84 CA GLN A 13 8.465 -15.658 -3.379 1.00 0.00 C ATOM 85 C GLN A 13 9.689 -14.890 -2.846 1.00 0.00 C ATOM 86 O GLN A 13 9.896 -13.752 -3.213 1.00 0.00 O ATOM 87 CB GLN A 13 8.884 -16.912 -4.168 1.00 0.00 C ATOM 88 CG GLN A 13 10.277 -16.725 -4.784 1.00 0.00 C ATOM 89 CD GLN A 13 10.614 -17.930 -5.664 1.00 0.00 C ATOM 90 OE1 GLN A 13 11.271 -18.853 -5.223 1.00 0.00 O ATOM 91 NE2 GLN A 13 10.189 -17.964 -6.898 1.00 0.00 N ATOM 0 H GLN A 13 7.485 -15.141 -5.204 1.00 0.00 H new ATOM 0 HA GLN A 13 7.850 -15.977 -2.538 1.00 0.00 H new ATOM 0 HB2 GLN A 13 8.886 -17.779 -3.508 1.00 0.00 H new ATOM 0 HB3 GLN A 13 8.157 -17.112 -4.955 1.00 0.00 H new ATOM 0 HG2 GLN A 13 10.304 -15.810 -5.376 1.00 0.00 H new ATOM 0 HG3 GLN A 13 11.023 -16.617 -3.996 1.00 0.00 H new ATOM 0 HE21 GLN A 13 9.638 -17.190 -7.269 1.00 0.00 H new ATOM 0 HE22 GLN A 13 10.408 -18.764 -7.491 1.00 0.00 H new ATOM 92 N PRO A 14 10.479 -15.510 -2.010 1.00 0.00 N ATOM 93 CA PRO A 14 11.665 -14.843 -1.460 1.00 0.00 C ATOM 94 C PRO A 14 12.684 -14.611 -2.570 1.00 0.00 C ATOM 95 O PRO A 14 13.322 -15.523 -3.057 1.00 0.00 O ATOM 96 CB PRO A 14 12.165 -15.805 -0.379 1.00 0.00 C ATOM 97 CG PRO A 14 11.561 -17.184 -0.721 1.00 0.00 C ATOM 98 CD PRO A 14 10.300 -16.904 -1.561 1.00 0.00 C ATOM 0 HA PRO A 14 11.467 -13.857 -1.040 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.254 -15.848 -0.369 1.00 0.00 H new ATOM 0 HB3 PRO A 14 11.850 -15.476 0.611 1.00 0.00 H new ATOM 0 HG2 PRO A 14 12.273 -17.793 -1.278 1.00 0.00 H new ATOM 0 HG3 PRO A 14 11.311 -17.735 0.185 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.221 -17.589 -2.405 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.392 -17.020 -0.970 1.00 0.00 H new ATOM 99 N GLY A 15 12.799 -13.385 -3.002 1.00 0.00 N ATOM 100 CA GLY A 15 13.727 -13.064 -4.118 1.00 0.00 C ATOM 101 C GLY A 15 12.914 -13.136 -5.407 1.00 0.00 C ATOM 102 O GLY A 15 13.426 -13.404 -6.476 1.00 0.00 O ATOM 0 H GLY A 15 12.285 -12.588 -2.626 1.00 0.00 H new ATOM 0 HA2 GLY A 15 14.158 -12.071 -3.988 1.00 0.00 H new ATOM 0 HA3 GLY A 15 14.557 -13.770 -4.145 1.00 0.00 H new ATOM 103 N GLY A 16 11.629 -12.917 -5.292 1.00 0.00 N ATOM 104 CA GLY A 16 10.734 -12.987 -6.476 1.00 0.00 C ATOM 105 C GLY A 16 10.432 -11.579 -6.998 1.00 0.00 C ATOM 106 O GLY A 16 11.320 -10.774 -7.202 1.00 0.00 O ATOM 0 H GLY A 16 11.160 -12.690 -4.415 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.204 -13.580 -7.261 1.00 0.00 H new ATOM 0 HA3 GLY A 16 9.805 -13.490 -6.209 1.00 0.00 H new ATOM 107 N SER A 17 9.181 -11.287 -7.220 1.00 0.00 N ATOM 108 CA SER A 17 8.792 -9.946 -7.734 1.00 0.00 C ATOM 109 C SER A 17 7.338 -10.017 -8.193 1.00 0.00 C ATOM 110 O SER A 17 6.926 -10.975 -8.818 1.00 0.00 O ATOM 111 CB SER A 17 9.685 -9.565 -8.915 1.00 0.00 C ATOM 112 OG SER A 17 9.936 -10.719 -9.708 1.00 0.00 O ATOM 0 H SER A 17 8.403 -11.928 -7.065 1.00 0.00 H new ATOM 0 HA SER A 17 8.907 -9.195 -6.952 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.203 -8.795 -9.516 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.625 -9.146 -8.555 1.00 0.00 H new ATOM 0 HG SER A 17 10.507 -10.477 -10.467 1.00 0.00 H new ATOM 113 N LEU A 18 6.550 -9.028 -7.884 1.00 0.00 N ATOM 114 CA LEU A 18 5.126 -9.079 -8.306 1.00 0.00 C ATOM 115 C LEU A 18 4.845 -8.013 -9.345 1.00 0.00 C ATOM 116 O LEU A 18 5.562 -7.038 -9.473 1.00 0.00 O ATOM 117 CB LEU A 18 4.212 -8.831 -7.116 1.00 0.00 C ATOM 118 CG LEU A 18 3.325 -10.052 -6.905 1.00 0.00 C ATOM 119 CD1 LEU A 18 3.659 -10.697 -5.567 1.00 0.00 C ATOM 120 CD2 LEU A 18 1.862 -9.622 -6.905 1.00 0.00 C ATOM 0 H LEU A 18 6.826 -8.195 -7.363 1.00 0.00 H new ATOM 0 HA LEU A 18 4.937 -10.068 -8.724 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.804 -8.637 -6.221 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.599 -7.947 -7.291 1.00 0.00 H new ATOM 0 HG LEU A 18 3.496 -10.768 -7.709 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.025 -11.570 -5.416 1.00 0.00 H new ATOM 0 HD12 LEU A 18 4.705 -11.003 -5.562 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.487 -9.980 -4.764 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.226 -10.495 -6.754 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.693 -8.906 -6.100 1.00 0.00 H new ATOM 0 HD23 LEU A 18 1.619 -9.157 -7.861 1.00 0.00 H new ATOM 121 N ARG A 19 3.786 -8.191 -10.076 1.00 0.00 N ATOM 122 CA ARG A 19 3.418 -7.198 -11.107 1.00 0.00 C ATOM 123 C ARG A 19 1.934 -6.865 -10.963 1.00 0.00 C ATOM 124 O ARG A 19 1.082 -7.536 -11.510 1.00 0.00 O ATOM 125 CB ARG A 19 3.683 -7.790 -12.488 1.00 0.00 C ATOM 126 CG ARG A 19 3.153 -6.841 -13.566 1.00 0.00 C ATOM 127 CD ARG A 19 2.306 -7.625 -14.570 1.00 0.00 C ATOM 128 NE ARG A 19 3.194 -8.486 -15.402 1.00 0.00 N ATOM 129 CZ ARG A 19 2.674 -9.324 -16.257 1.00 0.00 C ATOM 130 NH1 ARG A 19 1.490 -9.828 -16.038 1.00 0.00 N ATOM 131 NH2 ARG A 19 3.334 -9.656 -17.333 1.00 0.00 N ATOM 0 H ARG A 19 3.156 -8.990 -10.000 1.00 0.00 H new ATOM 0 HA ARG A 19 4.009 -6.291 -10.985 1.00 0.00 H new ATOM 0 HB2 ARG A 19 4.752 -7.952 -12.626 1.00 0.00 H new ATOM 0 HB3 ARG A 19 3.199 -8.763 -12.576 1.00 0.00 H new ATOM 0 HG2 ARG A 19 2.555 -6.053 -13.108 1.00 0.00 H new ATOM 0 HG3 ARG A 19 3.984 -6.355 -14.077 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.575 -8.239 -14.044 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.747 -6.938 -15.206 1.00 0.00 H new ATOM 0 HE ARG A 19 4.207 -8.420 -15.303 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.972 -9.567 -15.199 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.083 -10.483 -16.706 1.00 0.00 H new ATOM 0 HH21 ARG A 19 4.258 -9.260 -17.507 1.00 0.00 H new ATOM 0 HH22 ARG A 19 2.926 -10.311 -18.000 1.00 0.00 H new ATOM 132 N LEU A 20 1.616 -5.833 -10.235 1.00 0.00 N ATOM 133 CA LEU A 20 0.183 -5.461 -10.063 1.00 0.00 C ATOM 134 C LEU A 20 -0.040 -4.096 -10.699 1.00 0.00 C ATOM 135 O LEU A 20 0.661 -3.723 -11.618 1.00 0.00 O ATOM 136 CB LEU A 20 -0.187 -5.427 -8.575 1.00 0.00 C ATOM 137 CG LEU A 20 0.605 -6.491 -7.813 1.00 0.00 C ATOM 138 CD1 LEU A 20 0.584 -7.812 -8.589 1.00 0.00 C ATOM 139 CD2 LEU A 20 2.049 -6.020 -7.642 1.00 0.00 C ATOM 0 H LEU A 20 2.283 -5.231 -9.752 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.453 -6.202 -10.547 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.024 -4.440 -8.162 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.256 -5.602 -8.454 1.00 0.00 H new ATOM 0 HG LEU A 20 0.152 -6.646 -6.834 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.150 -8.565 -8.041 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.446 -8.148 -8.708 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.033 -7.664 -9.571 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.616 -6.776 -7.099 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.499 -5.863 -8.622 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.063 -5.085 -7.082 1.00 0.00 H new ATOM 140 N SER A 21 -1.003 -3.343 -10.247 1.00 0.00 N ATOM 141 CA SER A 21 -1.221 -2.022 -10.884 1.00 0.00 C ATOM 142 C SER A 21 -2.425 -1.296 -10.279 1.00 0.00 C ATOM 143 O SER A 21 -2.953 -1.675 -9.253 1.00 0.00 O ATOM 144 CB SER A 21 -1.465 -2.250 -12.372 1.00 0.00 C ATOM 145 OG SER A 21 -2.441 -3.270 -12.536 1.00 0.00 O ATOM 0 H SER A 21 -1.634 -3.580 -9.481 1.00 0.00 H new ATOM 0 HA SER A 21 -0.342 -1.399 -10.718 1.00 0.00 H new ATOM 0 HB2 SER A 21 -1.804 -1.327 -12.842 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.536 -2.537 -12.865 1.00 0.00 H new ATOM 0 HG SER A 21 -2.817 -3.507 -11.662 1.00 0.00 H new ATOM 146 N CYS A 22 -2.854 -0.247 -10.931 1.00 0.00 N ATOM 147 CA CYS A 22 -4.015 0.540 -10.453 1.00 0.00 C ATOM 148 C CYS A 22 -4.880 0.883 -11.648 1.00 0.00 C ATOM 149 O CYS A 22 -4.530 1.737 -12.447 1.00 0.00 O ATOM 150 CB CYS A 22 -3.532 1.830 -9.793 1.00 0.00 C ATOM 151 SG CYS A 22 -3.235 1.507 -8.047 1.00 0.00 S ATOM 0 H CYS A 22 -2.434 0.100 -11.794 1.00 0.00 H new ATOM 0 HA CYS A 22 -4.582 -0.039 -9.724 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -2.619 2.181 -10.273 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -4.277 2.617 -9.911 1.00 0.00 H new ATOM 152 N ALA A 23 -6.006 0.236 -11.787 1.00 0.00 N ATOM 153 CA ALA A 23 -6.885 0.562 -12.934 1.00 0.00 C ATOM 154 C ALA A 23 -7.086 2.066 -12.908 1.00 0.00 C ATOM 155 O ALA A 23 -6.913 2.676 -11.881 1.00 0.00 O ATOM 156 CB ALA A 23 -8.231 -0.143 -12.782 1.00 0.00 C ATOM 0 H ALA A 23 -6.348 -0.494 -11.162 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.441 0.236 -13.874 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -8.869 0.104 -13.631 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -8.075 -1.221 -12.747 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -8.711 0.184 -11.860 1.00 0.00 H new ATOM 157 N ALA A 24 -7.434 2.663 -14.011 1.00 0.00 N ATOM 158 CA ALA A 24 -7.635 4.142 -14.039 1.00 0.00 C ATOM 159 C ALA A 24 -7.917 4.569 -15.484 1.00 0.00 C ATOM 160 O ALA A 24 -7.195 4.203 -16.402 1.00 0.00 O ATOM 161 CB ALA A 24 -6.381 4.852 -13.518 1.00 0.00 C ATOM 0 H ALA A 24 -7.590 2.190 -14.901 1.00 0.00 H new ATOM 0 HA ALA A 24 -8.476 4.414 -13.401 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -6.537 5.931 -13.542 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.184 4.537 -12.493 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.529 4.594 -14.147 1.00 0.00 H new ATOM 162 N SER A 25 -8.964 5.325 -15.702 1.00 0.00 N ATOM 163 CA SER A 25 -9.287 5.744 -17.096 1.00 0.00 C ATOM 164 C SER A 25 -9.801 7.186 -17.115 1.00 0.00 C ATOM 165 O SER A 25 -9.202 8.052 -17.721 1.00 0.00 O ATOM 166 CB SER A 25 -10.362 4.819 -17.665 1.00 0.00 C ATOM 167 OG SER A 25 -10.892 5.390 -18.854 1.00 0.00 O ATOM 0 H SER A 25 -9.601 5.666 -14.982 1.00 0.00 H new ATOM 0 HA SER A 25 -8.382 5.683 -17.701 1.00 0.00 H new ATOM 0 HB2 SER A 25 -9.938 3.837 -17.877 1.00 0.00 H new ATOM 0 HB3 SER A 25 -11.156 4.672 -16.933 1.00 0.00 H new ATOM 0 HG SER A 25 -11.581 4.798 -19.222 1.00 0.00 H new ATOM 168 N GLY A 26 -10.910 7.446 -16.465 1.00 0.00 N ATOM 169 CA GLY A 26 -11.470 8.834 -16.449 1.00 0.00 C ATOM 170 C GLY A 26 -10.324 9.841 -16.365 1.00 0.00 C ATOM 171 O GLY A 26 -10.387 10.923 -16.913 1.00 0.00 O ATOM 0 H GLY A 26 -11.452 6.756 -15.944 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -12.059 9.011 -17.349 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -12.141 8.958 -15.599 1.00 0.00 H new ATOM 172 N PHE A 27 -9.271 9.473 -15.697 1.00 0.00 N ATOM 173 CA PHE A 27 -8.098 10.377 -15.582 1.00 0.00 C ATOM 174 C PHE A 27 -6.845 9.572 -15.938 1.00 0.00 C ATOM 175 O PHE A 27 -6.931 8.471 -16.446 1.00 0.00 O ATOM 176 CB PHE A 27 -8.006 10.917 -14.139 1.00 0.00 C ATOM 177 CG PHE A 27 -7.106 10.031 -13.297 1.00 0.00 C ATOM 178 CD1 PHE A 27 -7.545 8.765 -12.889 1.00 0.00 C ATOM 179 CD2 PHE A 27 -5.824 10.474 -12.943 1.00 0.00 C ATOM 180 CE1 PHE A 27 -6.707 7.947 -12.124 1.00 0.00 C ATOM 181 CE2 PHE A 27 -4.987 9.658 -12.185 1.00 0.00 C ATOM 182 CZ PHE A 27 -5.427 8.391 -11.772 1.00 0.00 C ATOM 0 H PHE A 27 -9.172 8.576 -15.221 1.00 0.00 H new ATOM 0 HA PHE A 27 -8.193 11.226 -16.259 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -7.617 11.935 -14.149 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -9.001 10.960 -13.696 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -8.531 8.420 -13.165 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.485 11.450 -13.258 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -7.048 6.973 -11.805 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.999 10.001 -11.915 1.00 0.00 H new ATOM 0 HZ PHE A 27 -4.779 7.759 -11.183 1.00 0.00 H new ATOM 183 N THR A 28 -5.686 10.090 -15.654 1.00 0.00 N ATOM 184 CA THR A 28 -4.449 9.322 -15.957 1.00 0.00 C ATOM 185 C THR A 28 -3.985 8.631 -14.668 1.00 0.00 C ATOM 186 O THR A 28 -4.679 7.793 -14.129 1.00 0.00 O ATOM 187 CB THR A 28 -3.365 10.267 -16.483 1.00 0.00 C ATOM 188 OG1 THR A 28 -3.147 11.305 -15.539 1.00 0.00 O ATOM 189 CG2 THR A 28 -3.813 10.873 -17.814 1.00 0.00 C ATOM 0 H THR A 28 -5.541 11.005 -15.228 1.00 0.00 H new ATOM 0 HA THR A 28 -4.645 8.573 -16.725 1.00 0.00 H new ATOM 0 HB THR A 28 -2.440 9.710 -16.634 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.893 11.940 -15.573 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.040 11.545 -18.186 1.00 0.00 H new ATOM 0 HG22 THR A 28 -3.981 10.076 -18.539 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.738 11.430 -17.667 1.00 0.00 H new ATOM 190 N PHE A 29 -2.823 8.966 -14.167 1.00 0.00 N ATOM 191 CA PHE A 29 -2.324 8.328 -12.911 1.00 0.00 C ATOM 192 C PHE A 29 -1.192 9.190 -12.369 1.00 0.00 C ATOM 193 O PHE A 29 -1.126 9.508 -11.199 1.00 0.00 O ATOM 194 CB PHE A 29 -1.763 6.938 -13.199 1.00 0.00 C ATOM 195 CG PHE A 29 -2.480 6.339 -14.367 1.00 0.00 C ATOM 196 CD1 PHE A 29 -2.184 6.770 -15.664 1.00 0.00 C ATOM 197 CD2 PHE A 29 -3.453 5.360 -14.158 1.00 0.00 C ATOM 198 CE1 PHE A 29 -2.858 6.214 -16.744 1.00 0.00 C ATOM 199 CE2 PHE A 29 -4.122 4.808 -15.239 1.00 0.00 C ATOM 200 CZ PHE A 29 -3.824 5.234 -16.530 1.00 0.00 C ATOM 0 H PHE A 29 -2.195 9.658 -14.576 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.145 8.241 -12.200 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.695 7.002 -13.409 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.878 6.300 -12.323 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.435 7.531 -15.825 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.684 5.033 -13.155 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.633 6.541 -17.748 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.873 4.049 -15.080 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.345 4.802 -17.371 1.00 0.00 H new ATOM 201 N SER A 30 -0.301 9.572 -13.241 1.00 0.00 N ATOM 202 CA SER A 30 0.846 10.422 -12.833 1.00 0.00 C ATOM 203 C SER A 30 0.485 11.873 -13.116 1.00 0.00 C ATOM 204 O SER A 30 0.944 12.781 -12.452 1.00 0.00 O ATOM 205 CB SER A 30 2.086 10.033 -13.638 1.00 0.00 C ATOM 206 OG SER A 30 2.301 8.633 -13.520 1.00 0.00 O ATOM 0 H SER A 30 -0.321 9.327 -14.231 1.00 0.00 H new ATOM 0 HA SER A 30 1.059 10.286 -11.773 1.00 0.00 H new ATOM 0 HB2 SER A 30 1.954 10.306 -14.685 1.00 0.00 H new ATOM 0 HB3 SER A 30 2.956 10.578 -13.274 1.00 0.00 H new ATOM 0 HG SER A 30 3.260 8.442 -13.592 1.00 0.00 H new ATOM 207 N SER A 31 -0.353 12.099 -14.091 1.00 0.00 N ATOM 208 CA SER A 31 -0.758 13.494 -14.394 1.00 0.00 C ATOM 209 C SER A 31 -1.341 14.094 -13.116 1.00 0.00 C ATOM 210 O SER A 31 -0.961 15.166 -12.692 1.00 0.00 O ATOM 211 CB SER A 31 -1.805 13.506 -15.505 1.00 0.00 C ATOM 212 OG SER A 31 -1.790 14.771 -16.151 1.00 0.00 O ATOM 0 H SER A 31 -0.770 11.382 -14.685 1.00 0.00 H new ATOM 0 HA SER A 31 0.099 14.076 -14.732 1.00 0.00 H new ATOM 0 HB2 SER A 31 -1.597 12.715 -16.225 1.00 0.00 H new ATOM 0 HB3 SER A 31 -2.794 13.308 -15.091 1.00 0.00 H new ATOM 0 HG SER A 31 -2.460 14.781 -16.866 1.00 0.00 H new ATOM 213 N TYR A 32 -2.245 13.391 -12.480 1.00 0.00 N ATOM 214 CA TYR A 32 -2.823 13.911 -11.210 1.00 0.00 C ATOM 215 C TYR A 32 -2.265 13.085 -10.050 1.00 0.00 C ATOM 216 O TYR A 32 -2.879 12.945 -9.013 1.00 0.00 O ATOM 217 CB TYR A 32 -4.347 13.800 -11.250 1.00 0.00 C ATOM 218 CG TYR A 32 -4.843 14.308 -12.580 1.00 0.00 C ATOM 219 CD1 TYR A 32 -4.655 13.538 -13.732 1.00 0.00 C ATOM 220 CD2 TYR A 32 -5.486 15.551 -12.663 1.00 0.00 C ATOM 221 CE1 TYR A 32 -5.111 14.009 -14.970 1.00 0.00 C ATOM 222 CE2 TYR A 32 -5.942 16.020 -13.899 1.00 0.00 C ATOM 223 CZ TYR A 32 -5.755 15.250 -15.053 1.00 0.00 C ATOM 224 OH TYR A 32 -6.205 15.714 -16.272 1.00 0.00 O ATOM 0 H TYR A 32 -2.604 12.486 -12.785 1.00 0.00 H new ATOM 0 HA TYR A 32 -2.557 14.960 -11.079 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.653 12.764 -11.105 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -4.788 14.379 -10.438 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -4.159 12.581 -13.667 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -5.629 16.146 -11.773 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -4.966 13.415 -15.860 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.439 16.977 -13.963 1.00 0.00 H new ATOM 0 HH TYR A 32 -6.629 16.589 -16.153 1.00 0.00 H new ATOM 225 N ALA A 33 -1.092 12.537 -10.224 1.00 0.00 N ATOM 226 CA ALA A 33 -0.470 11.719 -9.145 1.00 0.00 C ATOM 227 C ALA A 33 -1.484 10.712 -8.596 1.00 0.00 C ATOM 228 O ALA A 33 -2.616 10.649 -9.035 1.00 0.00 O ATOM 229 CB ALA A 33 0.002 12.639 -8.019 1.00 0.00 C ATOM 0 H ALA A 33 -0.535 12.622 -11.074 1.00 0.00 H new ATOM 0 HA ALA A 33 0.381 11.175 -9.555 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.457 12.042 -7.229 1.00 0.00 H new ATOM 0 HB2 ALA A 33 0.735 13.345 -8.409 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -0.850 13.187 -7.615 1.00 0.00 H new ATOM 230 N MET A 34 -1.080 9.912 -7.646 1.00 0.00 N ATOM 231 CA MET A 34 -2.000 8.905 -7.069 1.00 0.00 C ATOM 232 C MET A 34 -1.163 7.926 -6.241 1.00 0.00 C ATOM 233 O MET A 34 -0.029 7.645 -6.566 1.00 0.00 O ATOM 234 CB MET A 34 -2.725 8.176 -8.214 1.00 0.00 C ATOM 235 CG MET A 34 -3.008 6.719 -7.836 1.00 0.00 C ATOM 236 SD MET A 34 -1.528 5.725 -8.146 1.00 0.00 S ATOM 237 CE MET A 34 -2.375 4.230 -8.698 1.00 0.00 C ATOM 0 H MET A 34 -0.142 9.918 -7.245 1.00 0.00 H new ATOM 0 HA MET A 34 -2.750 9.371 -6.431 1.00 0.00 H new ATOM 0 HB2 MET A 34 -3.661 8.686 -8.441 1.00 0.00 H new ATOM 0 HB3 MET A 34 -2.116 8.211 -9.117 1.00 0.00 H new ATOM 0 HG2 MET A 34 -3.292 6.652 -6.786 1.00 0.00 H new ATOM 0 HG3 MET A 34 -3.846 6.336 -8.418 1.00 0.00 H new ATOM 0 HE1 MET A 34 -1.645 3.438 -8.862 1.00 0.00 H new ATOM 0 HE2 MET A 34 -3.088 3.914 -7.937 1.00 0.00 H new ATOM 0 HE3 MET A 34 -2.904 4.434 -9.629 1.00 0.00 H new ATOM 238 N SER A 35 -1.711 7.388 -5.191 1.00 0.00 N ATOM 239 CA SER A 35 -0.938 6.417 -4.373 1.00 0.00 C ATOM 240 C SER A 35 -1.690 5.123 -4.377 1.00 0.00 C ATOM 241 O SER A 35 -2.805 5.069 -4.852 1.00 0.00 O ATOM 242 CB SER A 35 -0.799 6.922 -2.951 1.00 0.00 C ATOM 243 OG SER A 35 -1.060 5.866 -2.034 1.00 0.00 O ATOM 0 H SER A 35 -2.658 7.578 -4.864 1.00 0.00 H new ATOM 0 HA SER A 35 0.062 6.286 -4.787 1.00 0.00 H new ATOM 0 HB2 SER A 35 0.206 7.314 -2.792 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.493 7.745 -2.779 1.00 0.00 H new ATOM 0 HG SER A 35 -0.967 6.199 -1.117 1.00 0.00 H new ATOM 244 N TRP A 36 -1.128 4.054 -3.902 1.00 0.00 N ATOM 245 CA TRP A 36 -1.935 2.835 -3.994 1.00 0.00 C ATOM 246 C TRP A 36 -1.331 1.616 -3.276 1.00 0.00 C ATOM 247 O TRP A 36 -0.123 1.514 -3.033 1.00 0.00 O ATOM 248 CB TRP A 36 -2.149 2.600 -5.485 1.00 0.00 C ATOM 249 CG TRP A 36 -1.152 1.679 -6.047 1.00 0.00 C ATOM 250 CD1 TRP A 36 0.057 2.025 -6.536 1.00 0.00 C ATOM 251 CD2 TRP A 36 -1.305 0.260 -6.238 1.00 0.00 C ATOM 252 NE1 TRP A 36 0.644 0.895 -7.054 1.00 0.00 N ATOM 253 CE2 TRP A 36 -0.160 -0.236 -6.881 1.00 0.00 C ATOM 254 CE3 TRP A 36 -2.337 -0.635 -5.914 1.00 0.00 C ATOM 255 CZ2 TRP A 36 -0.051 -1.598 -7.200 1.00 0.00 C ATOM 256 CZ3 TRP A 36 -2.229 -1.982 -6.217 1.00 0.00 C ATOM 257 CH2 TRP A 36 -1.096 -2.472 -6.861 1.00 0.00 C ATOM 0 H TRP A 36 -0.202 3.977 -3.480 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.879 2.970 -3.467 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.148 2.196 -5.648 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -2.100 3.553 -6.013 1.00 0.00 H new ATOM 0 HD1 TRP A 36 0.488 3.015 -6.523 1.00 0.00 H new ATOM 0 HE1 TRP A 36 1.556 0.883 -7.510 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.226 -0.269 -5.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 0.829 -1.971 -7.702 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -3.029 -2.657 -5.952 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.021 -3.523 -7.099 1.00 0.00 H new ATOM 258 N VAL A 37 -2.241 0.715 -2.933 1.00 0.00 N ATOM 259 CA VAL A 37 -1.947 -0.559 -2.204 1.00 0.00 C ATOM 260 C VAL A 37 -2.510 -0.427 -0.764 1.00 0.00 C ATOM 261 O VAL A 37 -3.324 0.431 -0.532 1.00 0.00 O ATOM 262 CB VAL A 37 -0.438 -0.870 -2.222 1.00 0.00 C ATOM 263 CG1 VAL A 37 -0.189 -2.228 -1.607 1.00 0.00 C ATOM 264 CG2 VAL A 37 0.073 -0.922 -3.656 1.00 0.00 C ATOM 0 H VAL A 37 -3.231 0.830 -3.148 1.00 0.00 H new ATOM 0 HA VAL A 37 -2.430 -1.403 -2.697 1.00 0.00 H new ATOM 0 HB VAL A 37 0.075 -0.088 -1.662 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.879 -2.444 -1.622 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.546 -2.232 -0.577 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -0.721 -2.989 -2.178 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.140 -1.143 -3.654 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.458 -1.701 -4.203 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.098 0.040 -4.138 1.00 0.00 H new ATOM 265 N ARG A 38 -2.106 -1.257 0.188 1.00 0.00 N ATOM 266 CA ARG A 38 -2.607 -1.159 1.598 1.00 0.00 C ATOM 267 C ARG A 38 -3.799 -2.074 1.914 1.00 0.00 C ATOM 268 O ARG A 38 -4.933 -1.643 1.947 1.00 0.00 O ATOM 269 CB ARG A 38 -2.949 0.291 1.985 1.00 0.00 C ATOM 270 CG ARG A 38 -1.689 1.162 1.891 1.00 0.00 C ATOM 271 CD ARG A 38 -1.759 2.089 0.673 1.00 0.00 C ATOM 272 NE ARG A 38 -3.149 2.601 0.497 1.00 0.00 N ATOM 273 CZ ARG A 38 -3.825 3.028 1.527 1.00 0.00 C ATOM 274 NH1 ARG A 38 -3.215 3.655 2.495 1.00 0.00 N ATOM 275 NH2 ARG A 38 -5.113 2.830 1.590 1.00 0.00 N ATOM 0 H ARG A 38 -1.436 -2.011 0.034 1.00 0.00 H new ATOM 0 HA ARG A 38 -1.773 -1.512 2.205 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -3.723 0.681 1.324 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -3.350 0.322 2.998 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.583 1.755 2.799 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.806 0.526 1.820 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.069 2.923 0.801 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -1.445 1.551 -0.222 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.572 2.617 -0.431 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -2.208 3.812 2.447 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -3.745 3.989 3.300 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.591 2.341 0.833 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.642 3.164 2.396 1.00 0.00 H new ATOM 276 N GLN A 39 -3.519 -3.326 2.223 1.00 0.00 N ATOM 277 CA GLN A 39 -4.590 -4.292 2.624 1.00 0.00 C ATOM 278 C GLN A 39 -4.004 -5.706 2.666 1.00 0.00 C ATOM 279 O GLN A 39 -4.208 -6.490 1.770 1.00 0.00 O ATOM 280 CB GLN A 39 -5.727 -4.252 1.623 1.00 0.00 C ATOM 281 CG GLN A 39 -7.052 -4.483 2.353 1.00 0.00 C ATOM 282 CD GLN A 39 -7.121 -5.930 2.842 1.00 0.00 C ATOM 283 OE1 GLN A 39 -7.092 -6.854 2.053 1.00 0.00 O ATOM 284 NE2 GLN A 39 -7.208 -6.169 4.123 1.00 0.00 N ATOM 0 H GLN A 39 -2.578 -3.719 2.212 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.970 -4.017 3.608 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -5.743 -3.289 1.112 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -5.581 -5.016 0.859 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -7.138 -3.799 3.197 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -7.888 -4.273 1.686 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -7.232 -5.394 4.786 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -7.252 -7.131 4.461 1.00 0.00 H new ATOM 285 N ALA A 40 -3.261 -6.033 3.693 1.00 0.00 N ATOM 286 CA ALA A 40 -2.640 -7.385 3.768 1.00 0.00 C ATOM 287 C ALA A 40 -3.342 -8.267 4.812 1.00 0.00 C ATOM 288 O ALA A 40 -4.196 -7.805 5.543 1.00 0.00 O ATOM 289 CB ALA A 40 -1.168 -7.208 4.149 1.00 0.00 C ATOM 0 H ALA A 40 -3.059 -5.419 4.482 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.737 -7.879 2.801 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -0.688 -8.185 4.211 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -0.666 -6.605 3.392 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -1.100 -6.708 5.115 1.00 0.00 H new ATOM 290 N PRO A 41 -2.938 -9.518 4.849 1.00 0.00 N ATOM 291 CA PRO A 41 -3.482 -10.522 5.797 1.00 0.00 C ATOM 292 C PRO A 41 -3.081 -10.159 7.232 1.00 0.00 C ATOM 293 O PRO A 41 -2.903 -9.002 7.553 1.00 0.00 O ATOM 294 CB PRO A 41 -2.821 -11.837 5.333 1.00 0.00 C ATOM 295 CG PRO A 41 -1.565 -11.426 4.541 1.00 0.00 C ATOM 296 CD PRO A 41 -1.881 -10.049 3.954 1.00 0.00 C ATOM 0 HA PRO A 41 -4.570 -10.585 5.801 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.557 -12.463 6.186 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.502 -12.417 4.710 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.689 -11.384 5.189 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.345 -12.147 3.753 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.001 -9.405 3.948 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -2.229 -10.123 2.924 1.00 0.00 H new ATOM 297 N GLY A 42 -2.907 -11.130 8.097 1.00 0.00 N ATOM 298 CA GLY A 42 -2.488 -10.808 9.494 1.00 0.00 C ATOM 299 C GLY A 42 -1.333 -9.811 9.443 1.00 0.00 C ATOM 300 O GLY A 42 -1.030 -9.144 10.414 1.00 0.00 O ATOM 0 H GLY A 42 -3.036 -12.122 7.897 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -3.325 -10.388 10.052 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.181 -11.715 10.015 1.00 0.00 H new ATOM 301 N LYS A 43 -0.692 -9.691 8.309 1.00 0.00 N ATOM 302 CA LYS A 43 0.429 -8.728 8.162 1.00 0.00 C ATOM 303 C LYS A 43 -0.104 -7.287 8.100 1.00 0.00 C ATOM 304 O LYS A 43 0.531 -6.418 7.537 1.00 0.00 O ATOM 305 CB LYS A 43 1.159 -9.035 6.853 1.00 0.00 C ATOM 306 CG LYS A 43 2.483 -8.268 6.813 1.00 0.00 C ATOM 307 CD LYS A 43 3.508 -9.052 5.991 1.00 0.00 C ATOM 308 CE LYS A 43 4.882 -8.954 6.658 1.00 0.00 C ATOM 309 NZ LYS A 43 4.775 -9.387 8.080 1.00 0.00 N ATOM 0 H LYS A 43 -0.905 -10.229 7.469 1.00 0.00 H new ATOM 0 HA LYS A 43 1.099 -8.822 9.017 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.345 -10.106 6.771 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.538 -8.753 6.003 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.330 -7.281 6.376 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.856 -8.114 7.826 1.00 0.00 H new ATOM 0 HD2 LYS A 43 3.204 -10.096 5.912 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.556 -8.656 4.977 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.601 -9.580 6.129 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.252 -7.930 6.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.625 -9.924 8.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.690 -8.551 8.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.935 -9.989 8.197 1.00 0.00 H new ATOM 310 N GLU A 44 -1.257 -7.018 8.663 1.00 0.00 N ATOM 311 CA GLU A 44 -1.806 -5.637 8.622 1.00 0.00 C ATOM 312 C GLU A 44 -1.689 -5.093 7.207 1.00 0.00 C ATOM 313 O GLU A 44 -1.333 -5.803 6.289 1.00 0.00 O ATOM 314 CB GLU A 44 -1.038 -4.756 9.613 1.00 0.00 C ATOM 315 CG GLU A 44 0.344 -4.387 9.061 1.00 0.00 C ATOM 316 CD GLU A 44 0.740 -3.000 9.572 1.00 0.00 C ATOM 317 OE1 GLU A 44 0.312 -2.645 10.656 1.00 0.00 O ATOM 318 OE2 GLU A 44 1.466 -2.317 8.868 1.00 0.00 O ATOM 0 H GLU A 44 -1.839 -7.700 9.149 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.858 -5.641 8.907 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.607 -3.849 9.816 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -0.927 -5.281 10.562 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.082 -5.126 9.373 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.327 -4.394 7.971 1.00 0.00 H new ATOM 319 N ARG A 45 -2.000 -3.848 7.015 1.00 0.00 N ATOM 320 CA ARG A 45 -1.910 -3.276 5.642 1.00 0.00 C ATOM 321 C ARG A 45 -0.543 -3.566 5.058 1.00 0.00 C ATOM 322 O ARG A 45 0.258 -4.294 5.612 1.00 0.00 O ATOM 323 CB ARG A 45 -2.081 -1.760 5.660 1.00 0.00 C ATOM 324 CG ARG A 45 -3.478 -1.374 5.165 1.00 0.00 C ATOM 325 CD ARG A 45 -4.524 -2.338 5.728 1.00 0.00 C ATOM 326 NE ARG A 45 -5.883 -1.758 5.539 1.00 0.00 N ATOM 327 CZ ARG A 45 -6.728 -1.739 6.530 1.00 0.00 C ATOM 328 NH1 ARG A 45 -7.168 -2.860 7.034 1.00 0.00 N ATOM 329 NH2 ARG A 45 -7.133 -0.598 7.019 1.00 0.00 N ATOM 0 H ARG A 45 -2.311 -3.202 7.740 1.00 0.00 H new ATOM 0 HA ARG A 45 -2.703 -3.730 5.047 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.930 -1.383 6.671 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.323 -1.295 5.029 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -3.711 -0.354 5.471 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -3.504 -1.394 4.075 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -4.455 -3.302 5.224 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -4.337 -2.517 6.787 1.00 0.00 H new ATOM 0 HE ARG A 45 -6.152 -1.375 4.633 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.850 -3.751 6.652 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.830 -2.845 7.810 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -6.788 0.277 6.625 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -7.795 -0.582 7.795 1.00 0.00 H new ATOM 330 N GLU A 46 -0.271 -2.979 3.941 1.00 0.00 N ATOM 331 CA GLU A 46 1.031 -3.182 3.291 1.00 0.00 C ATOM 332 C GLU A 46 0.997 -2.460 1.959 1.00 0.00 C ATOM 333 O GLU A 46 0.566 -3.005 0.965 1.00 0.00 O ATOM 334 CB GLU A 46 1.256 -4.675 3.081 1.00 0.00 C ATOM 335 CG GLU A 46 2.715 -5.020 3.384 1.00 0.00 C ATOM 336 CD GLU A 46 2.925 -6.528 3.240 1.00 0.00 C ATOM 337 OE1 GLU A 46 2.008 -7.267 3.560 1.00 0.00 O ATOM 338 OE2 GLU A 46 3.998 -6.919 2.812 1.00 0.00 O ATOM 0 H GLU A 46 -0.908 -2.357 3.444 1.00 0.00 H new ATOM 0 HA GLU A 46 1.844 -2.792 3.904 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.594 -5.248 3.730 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.012 -4.949 2.055 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.375 -4.484 2.702 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.973 -4.701 4.394 1.00 0.00 H new ATOM 339 N ILE A 47 1.427 -1.228 1.937 1.00 0.00 N ATOM 340 CA ILE A 47 1.415 -0.460 0.668 1.00 0.00 C ATOM 341 C ILE A 47 2.487 -1.025 -0.242 1.00 0.00 C ATOM 342 O ILE A 47 3.294 -1.840 0.157 1.00 0.00 O ATOM 343 CB ILE A 47 1.761 1.013 0.934 1.00 0.00 C ATOM 344 CG1 ILE A 47 1.316 1.860 -0.278 1.00 0.00 C ATOM 345 CG2 ILE A 47 3.278 1.147 1.146 1.00 0.00 C ATOM 346 CD1 ILE A 47 2.523 2.327 -1.123 1.00 0.00 C ATOM 0 H ILE A 47 1.786 -0.722 2.747 1.00 0.00 H new ATOM 0 HA ILE A 47 0.425 -0.532 0.217 1.00 0.00 H new ATOM 0 HB ILE A 47 1.245 1.365 1.828 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.639 1.276 -0.902 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.758 2.729 0.071 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.528 2.191 1.335 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.581 0.541 2.000 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.802 0.804 0.254 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.169 2.920 -1.966 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.186 2.933 -0.506 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.066 1.458 -1.493 1.00 0.00 H new ATOM 347 N VAL A 48 2.552 -0.542 -1.434 1.00 0.00 N ATOM 348 CA VAL A 48 3.625 -0.993 -2.322 1.00 0.00 C ATOM 349 C VAL A 48 4.171 0.213 -3.063 1.00 0.00 C ATOM 350 O VAL A 48 5.352 0.296 -3.310 1.00 0.00 O ATOM 351 CB VAL A 48 3.145 -2.046 -3.308 1.00 0.00 C ATOM 352 CG1 VAL A 48 4.350 -2.505 -4.126 1.00 0.00 C ATOM 353 CG2 VAL A 48 2.577 -3.240 -2.537 1.00 0.00 C ATOM 0 H VAL A 48 1.909 0.144 -1.829 1.00 0.00 H new ATOM 0 HA VAL A 48 4.406 -1.458 -1.721 1.00 0.00 H new ATOM 0 HB VAL A 48 2.372 -1.637 -3.958 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.035 -3.263 -4.844 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.773 -1.654 -4.659 1.00 0.00 H new ATOM 0 HG13 VAL A 48 5.103 -2.927 -3.460 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.232 -3.997 -3.241 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.353 -3.664 -1.900 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.741 -2.910 -1.920 1.00 0.00 H new ATOM 354 N SER A 49 3.365 1.184 -3.413 1.00 0.00 N ATOM 355 CA SER A 49 3.999 2.326 -4.116 1.00 0.00 C ATOM 356 C SER A 49 3.019 3.432 -4.476 1.00 0.00 C ATOM 357 O SER A 49 1.813 3.259 -4.494 1.00 0.00 O ATOM 358 CB SER A 49 4.667 1.804 -5.384 1.00 0.00 C ATOM 359 OG SER A 49 6.072 1.994 -5.295 1.00 0.00 O ATOM 0 H SER A 49 2.359 1.234 -3.254 1.00 0.00 H new ATOM 0 HA SER A 49 4.726 2.768 -3.434 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.441 0.746 -5.517 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.274 2.327 -6.256 1.00 0.00 H new ATOM 0 HG SER A 49 6.260 2.910 -5.002 1.00 0.00 H new ATOM 360 N ALA A 50 3.566 4.582 -4.763 1.00 0.00 N ATOM 361 CA ALA A 50 2.724 5.755 -5.138 1.00 0.00 C ATOM 362 C ALA A 50 3.582 6.814 -5.844 1.00 0.00 C ATOM 363 O ALA A 50 4.786 6.685 -5.946 1.00 0.00 O ATOM 364 CB ALA A 50 2.114 6.354 -3.878 1.00 0.00 C ATOM 0 H ALA A 50 4.570 4.761 -4.754 1.00 0.00 H new ATOM 0 HA ALA A 50 1.934 5.430 -5.815 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.497 7.212 -4.145 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.498 5.605 -3.380 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.910 6.674 -3.205 1.00 0.00 H new ATOM 365 N VAL A 51 2.964 7.861 -6.330 1.00 0.00 N ATOM 366 CA VAL A 51 3.726 8.935 -7.029 1.00 0.00 C ATOM 367 C VAL A 51 2.939 10.241 -6.914 1.00 0.00 C ATOM 368 O VAL A 51 2.045 10.508 -7.693 1.00 0.00 O ATOM 369 CB VAL A 51 3.897 8.567 -8.505 1.00 0.00 C ATOM 370 CG1 VAL A 51 2.569 8.040 -9.053 1.00 0.00 C ATOM 371 CG2 VAL A 51 4.315 9.809 -9.300 1.00 0.00 C ATOM 0 H VAL A 51 1.958 8.017 -6.271 1.00 0.00 H new ATOM 0 HA VAL A 51 4.711 9.050 -6.576 1.00 0.00 H new ATOM 0 HB VAL A 51 4.665 7.799 -8.600 1.00 0.00 H new ATOM 0 HG11 VAL A 51 2.688 7.777 -10.104 1.00 0.00 H new ATOM 0 HG12 VAL A 51 2.268 7.157 -8.490 1.00 0.00 H new ATOM 0 HG13 VAL A 51 1.804 8.810 -8.956 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.436 9.545 -10.351 1.00 0.00 H new ATOM 0 HG22 VAL A 51 3.547 10.577 -9.205 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.259 10.190 -8.910 1.00 0.00 H new ATOM 372 N SER A 52 3.247 11.046 -5.940 1.00 0.00 N ATOM 373 CA SER A 52 2.496 12.323 -5.774 1.00 0.00 C ATOM 374 C SER A 52 3.448 13.519 -5.774 1.00 0.00 C ATOM 375 O SER A 52 4.643 13.380 -5.943 1.00 0.00 O ATOM 376 CB SER A 52 1.739 12.287 -4.451 1.00 0.00 C ATOM 377 OG SER A 52 0.350 12.466 -4.699 1.00 0.00 O ATOM 0 H SER A 52 3.982 10.879 -5.253 1.00 0.00 H new ATOM 0 HA SER A 52 1.802 12.431 -6.607 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.910 11.336 -3.947 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.106 13.070 -3.788 1.00 0.00 H new ATOM 0 HG SER A 52 -0.034 13.045 -4.007 1.00 0.00 H new ATOM 378 N GLY A 53 2.916 14.698 -5.585 1.00 0.00 N ATOM 379 CA GLY A 53 3.771 15.922 -5.569 1.00 0.00 C ATOM 380 C GLY A 53 4.568 16.005 -6.867 1.00 0.00 C ATOM 381 O GLY A 53 5.717 15.620 -6.924 1.00 0.00 O ATOM 0 H GLY A 53 1.921 14.867 -5.440 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.150 16.810 -5.454 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.448 15.894 -4.715 1.00 0.00 H new ATOM 382 N SER A 54 3.967 16.494 -7.918 1.00 0.00 N ATOM 383 CA SER A 54 4.699 16.584 -9.211 1.00 0.00 C ATOM 384 C SER A 54 5.413 15.258 -9.465 1.00 0.00 C ATOM 385 O SER A 54 6.398 15.193 -10.173 1.00 0.00 O ATOM 386 CB SER A 54 5.730 17.712 -9.141 1.00 0.00 C ATOM 387 OG SER A 54 6.485 17.585 -7.944 1.00 0.00 O ATOM 0 H SER A 54 3.005 16.833 -7.936 1.00 0.00 H new ATOM 0 HA SER A 54 3.997 16.791 -10.019 1.00 0.00 H new ATOM 0 HB2 SER A 54 6.390 17.671 -10.007 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.229 18.680 -9.168 1.00 0.00 H new ATOM 0 HG SER A 54 6.574 16.637 -7.712 1.00 0.00 H new ATOM 388 N GLY A 55 4.925 14.197 -8.881 1.00 0.00 N ATOM 389 CA GLY A 55 5.570 12.872 -9.071 1.00 0.00 C ATOM 390 C GLY A 55 6.722 12.705 -8.075 1.00 0.00 C ATOM 391 O GLY A 55 7.001 11.610 -7.630 1.00 0.00 O ATOM 0 H GLY A 55 4.103 14.194 -8.278 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.837 12.078 -8.929 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.944 12.783 -10.091 1.00 0.00 H new ATOM 392 N GLY A 56 7.390 13.777 -7.716 1.00 0.00 N ATOM 393 CA GLY A 56 8.515 13.666 -6.740 1.00 0.00 C ATOM 394 C GLY A 56 8.108 12.700 -5.632 1.00 0.00 C ATOM 395 O GLY A 56 8.742 11.687 -5.413 1.00 0.00 O ATOM 0 H GLY A 56 7.203 14.720 -8.057 1.00 0.00 H new ATOM 0 HA2 GLY A 56 9.415 13.309 -7.240 1.00 0.00 H new ATOM 0 HA3 GLY A 56 8.750 14.644 -6.321 1.00 0.00 H new ATOM 396 N SER A 57 7.037 12.991 -4.946 1.00 0.00 N ATOM 397 CA SER A 57 6.577 12.067 -3.877 1.00 0.00 C ATOM 398 C SER A 57 6.499 10.661 -4.469 1.00 0.00 C ATOM 399 O SER A 57 6.245 10.494 -5.646 1.00 0.00 O ATOM 400 CB SER A 57 5.196 12.497 -3.386 1.00 0.00 C ATOM 401 OG SER A 57 5.238 12.693 -1.978 1.00 0.00 O ATOM 0 H SER A 57 6.465 13.825 -5.080 1.00 0.00 H new ATOM 0 HA SER A 57 7.269 12.085 -3.035 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.891 13.417 -3.884 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.455 11.738 -3.637 1.00 0.00 H new ATOM 0 HG SER A 57 4.354 12.971 -1.660 1.00 0.00 H new ATOM 402 N THR A 58 6.714 9.652 -3.678 1.00 0.00 N ATOM 403 CA THR A 58 6.658 8.267 -4.214 1.00 0.00 C ATOM 404 C THR A 58 6.629 7.294 -3.043 1.00 0.00 C ATOM 405 O THR A 58 7.206 7.542 -2.004 1.00 0.00 O ATOM 406 CB THR A 58 7.897 7.994 -5.073 1.00 0.00 C ATOM 407 OG1 THR A 58 9.031 8.608 -4.476 1.00 0.00 O ATOM 408 CG2 THR A 58 7.689 8.559 -6.478 1.00 0.00 C ATOM 0 H THR A 58 6.926 9.726 -2.683 1.00 0.00 H new ATOM 0 HA THR A 58 5.766 8.143 -4.828 1.00 0.00 H new ATOM 0 HB THR A 58 8.058 6.918 -5.141 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.052 9.558 -4.714 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.573 8.362 -7.084 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.822 8.084 -6.936 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.524 9.635 -6.417 1.00 0.00 H new ATOM 409 N TYR A 59 5.956 6.197 -3.195 1.00 0.00 N ATOM 410 CA TYR A 59 5.892 5.224 -2.079 1.00 0.00 C ATOM 411 C TYR A 59 6.487 3.893 -2.500 1.00 0.00 C ATOM 412 O TYR A 59 6.562 3.581 -3.675 1.00 0.00 O ATOM 413 CB TYR A 59 4.453 5.019 -1.662 1.00 0.00 C ATOM 414 CG TYR A 59 4.318 5.420 -0.224 1.00 0.00 C ATOM 415 CD1 TYR A 59 4.179 6.769 0.115 1.00 0.00 C ATOM 416 CD2 TYR A 59 4.342 4.442 0.767 1.00 0.00 C ATOM 417 CE1 TYR A 59 4.059 7.136 1.461 1.00 0.00 C ATOM 418 CE2 TYR A 59 4.223 4.802 2.108 1.00 0.00 C ATOM 419 CZ TYR A 59 4.080 6.151 2.460 1.00 0.00 C ATOM 420 OH TYR A 59 3.962 6.512 3.787 1.00 0.00 O ATOM 0 H TYR A 59 5.449 5.931 -4.039 1.00 0.00 H new ATOM 0 HA TYR A 59 6.466 5.620 -1.241 1.00 0.00 H new ATOM 0 HB2 TYR A 59 3.788 5.616 -2.287 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.164 3.976 -1.794 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.164 7.524 -0.657 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.453 3.403 0.496 1.00 0.00 H new ATOM 0 HE1 TYR A 59 3.950 8.176 1.730 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.241 4.042 2.875 1.00 0.00 H new ATOM 0 HH TYR A 59 3.994 5.709 4.348 1.00 0.00 H new ATOM 421 N TYR A 60 6.932 3.126 -1.535 1.00 0.00 N ATOM 422 CA TYR A 60 7.566 1.805 -1.817 1.00 0.00 C ATOM 423 C TYR A 60 7.311 0.850 -0.650 1.00 0.00 C ATOM 424 O TYR A 60 8.231 0.455 0.039 1.00 0.00 O ATOM 425 CB TYR A 60 9.079 1.988 -1.937 1.00 0.00 C ATOM 426 CG TYR A 60 9.403 2.936 -3.059 1.00 0.00 C ATOM 427 CD1 TYR A 60 9.109 4.292 -2.924 1.00 0.00 C ATOM 428 CD2 TYR A 60 10.012 2.461 -4.223 1.00 0.00 C ATOM 429 CE1 TYR A 60 9.420 5.183 -3.956 1.00 0.00 C ATOM 430 CE2 TYR A 60 10.324 3.347 -5.259 1.00 0.00 C ATOM 431 CZ TYR A 60 10.028 4.711 -5.126 1.00 0.00 C ATOM 432 OH TYR A 60 10.337 5.586 -6.148 1.00 0.00 O ATOM 0 H TYR A 60 6.880 3.367 -0.545 1.00 0.00 H new ATOM 0 HA TYR A 60 7.146 1.403 -2.739 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.481 2.372 -1.000 1.00 0.00 H new ATOM 0 HB3 TYR A 60 9.556 1.024 -2.117 1.00 0.00 H new ATOM 0 HD1 TYR A 60 8.640 4.655 -2.021 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.242 1.410 -4.323 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.192 6.233 -3.851 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.792 2.981 -6.161 1.00 0.00 H new ATOM 0 HH TYR A 60 10.755 5.094 -6.885 1.00 0.00 H new ATOM 433 N ALA A 61 6.091 0.470 -0.405 1.00 0.00 N ATOM 434 CA ALA A 61 5.843 -0.460 0.733 1.00 0.00 C ATOM 435 C ALA A 61 6.547 0.084 1.984 1.00 0.00 C ATOM 436 O ALA A 61 6.322 1.209 2.386 1.00 0.00 O ATOM 437 CB ALA A 61 6.398 -1.839 0.381 1.00 0.00 C ATOM 0 H ALA A 61 5.266 0.756 -0.932 1.00 0.00 H new ATOM 0 HA ALA A 61 4.773 -0.542 0.927 1.00 0.00 H new ATOM 0 HB1 ALA A 61 6.220 -2.525 1.209 1.00 0.00 H new ATOM 0 HB2 ALA A 61 5.901 -2.214 -0.514 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.470 -1.764 0.196 1.00 0.00 H new ATOM 438 N ASP A 62 7.404 -0.692 2.603 1.00 0.00 N ATOM 439 CA ASP A 62 8.115 -0.199 3.814 1.00 0.00 C ATOM 440 C ASP A 62 9.484 -0.875 3.898 1.00 0.00 C ATOM 441 O ASP A 62 10.481 -0.247 4.193 1.00 0.00 O ATOM 442 CB ASP A 62 7.299 -0.538 5.062 1.00 0.00 C ATOM 443 CG ASP A 62 6.933 0.751 5.799 1.00 0.00 C ATOM 444 OD1 ASP A 62 5.895 1.312 5.492 1.00 0.00 O ATOM 445 OD2 ASP A 62 7.700 1.157 6.657 1.00 0.00 O ATOM 0 H ASP A 62 7.638 -1.643 2.319 1.00 0.00 H new ATOM 0 HA ASP A 62 8.241 0.882 3.752 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.395 -1.079 4.782 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.873 -1.194 5.717 1.00 0.00 H new ATOM 446 N SER A 63 9.541 -2.154 3.638 1.00 0.00 N ATOM 447 CA SER A 63 10.845 -2.873 3.699 1.00 0.00 C ATOM 448 C SER A 63 11.681 -2.518 2.468 1.00 0.00 C ATOM 449 O SER A 63 12.887 -2.379 2.544 1.00 0.00 O ATOM 450 CB SER A 63 10.598 -4.382 3.724 1.00 0.00 C ATOM 451 OG SER A 63 11.754 -5.041 4.225 1.00 0.00 O ATOM 0 H SER A 63 8.739 -2.732 3.386 1.00 0.00 H new ATOM 0 HA SER A 63 11.379 -2.577 4.602 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.736 -4.610 4.350 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.367 -4.741 2.721 1.00 0.00 H new ATOM 0 HG SER A 63 11.597 -6.008 4.243 1.00 0.00 H new ATOM 452 N VAL A 64 11.052 -2.368 1.334 1.00 0.00 N ATOM 453 CA VAL A 64 11.811 -2.018 0.100 1.00 0.00 C ATOM 454 C VAL A 64 12.286 -0.567 0.196 1.00 0.00 C ATOM 455 O VAL A 64 13.390 -0.250 -0.196 1.00 0.00 O ATOM 456 CB VAL A 64 10.918 -2.210 -1.127 1.00 0.00 C ATOM 457 CG1 VAL A 64 10.769 -3.707 -1.396 1.00 0.00 C ATOM 458 CG2 VAL A 64 9.536 -1.602 -0.872 1.00 0.00 C ATOM 0 H VAL A 64 10.045 -2.473 1.209 1.00 0.00 H new ATOM 0 HA VAL A 64 12.679 -2.670 0.002 1.00 0.00 H new ATOM 0 HB VAL A 64 11.369 -1.714 -1.987 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.134 -3.858 -2.269 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.751 -4.143 -1.581 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.316 -4.189 -0.530 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.908 -1.744 -1.752 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.075 -2.092 -0.014 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.639 -0.536 -0.668 1.00 0.00 H new ATOM 459 N LYS A 65 11.459 0.297 0.742 1.00 0.00 N ATOM 460 CA LYS A 65 11.821 1.742 0.910 1.00 0.00 C ATOM 461 C LYS A 65 12.921 2.159 -0.072 1.00 0.00 C ATOM 462 O LYS A 65 13.938 2.703 0.308 1.00 0.00 O ATOM 463 CB LYS A 65 12.290 1.961 2.347 1.00 0.00 C ATOM 464 CG LYS A 65 13.705 1.402 2.526 1.00 0.00 C ATOM 465 CD LYS A 65 13.917 1.012 3.992 1.00 0.00 C ATOM 466 CE LYS A 65 14.037 -0.509 4.106 1.00 0.00 C ATOM 467 NZ LYS A 65 15.108 -0.849 5.087 1.00 0.00 N ATOM 0 H LYS A 65 10.529 0.055 1.085 1.00 0.00 H new ATOM 0 HA LYS A 65 10.945 2.355 0.700 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.277 3.025 2.584 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.606 1.471 3.040 1.00 0.00 H new ATOM 0 HG2 LYS A 65 13.849 0.534 1.883 1.00 0.00 H new ATOM 0 HG3 LYS A 65 14.443 2.146 2.226 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.818 1.488 4.379 1.00 0.00 H new ATOM 0 HD3 LYS A 65 13.083 1.368 4.598 1.00 0.00 H new ATOM 0 HE2 LYS A 65 13.087 -0.937 4.425 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.270 -0.941 3.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 15.191 -1.883 5.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.013 -0.453 4.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 14.867 -0.449 6.016 1.00 0.00 H new ATOM 468 N GLY A 66 12.723 1.908 -1.335 1.00 0.00 N ATOM 469 CA GLY A 66 13.755 2.282 -2.342 1.00 0.00 C ATOM 470 C GLY A 66 14.076 1.064 -3.210 1.00 0.00 C ATOM 471 O GLY A 66 14.872 1.131 -4.125 1.00 0.00 O ATOM 0 H GLY A 66 11.890 1.459 -1.715 1.00 0.00 H new ATOM 0 HA2 GLY A 66 13.394 3.101 -2.964 1.00 0.00 H new ATOM 0 HA3 GLY A 66 14.657 2.635 -1.842 1.00 0.00 H new ATOM 472 N ARG A 67 13.455 -0.049 -2.930 1.00 0.00 N ATOM 473 CA ARG A 67 13.707 -1.275 -3.730 1.00 0.00 C ATOM 474 C ARG A 67 12.410 -1.667 -4.437 1.00 0.00 C ATOM 475 O ARG A 67 12.217 -2.799 -4.833 1.00 0.00 O ATOM 476 CB ARG A 67 14.149 -2.403 -2.797 1.00 0.00 C ATOM 477 CG ARG A 67 14.479 -3.646 -3.623 1.00 0.00 C ATOM 478 CD ARG A 67 15.644 -4.396 -2.972 1.00 0.00 C ATOM 479 NE ARG A 67 16.900 -3.615 -3.151 1.00 0.00 N ATOM 480 CZ ARG A 67 17.355 -3.376 -4.349 1.00 0.00 C ATOM 481 NH1 ARG A 67 17.893 -4.339 -5.046 1.00 0.00 N ATOM 482 NH2 ARG A 67 17.273 -2.175 -4.852 1.00 0.00 N ATOM 0 H ARG A 67 12.779 -0.160 -2.174 1.00 0.00 H new ATOM 0 HA ARG A 67 14.490 -1.094 -4.467 1.00 0.00 H new ATOM 0 HB2 ARG A 67 15.021 -2.093 -2.222 1.00 0.00 H new ATOM 0 HB3 ARG A 67 13.359 -2.628 -2.081 1.00 0.00 H new ATOM 0 HG2 ARG A 67 13.606 -4.295 -3.688 1.00 0.00 H new ATOM 0 HG3 ARG A 67 14.740 -3.360 -4.642 1.00 0.00 H new ATOM 0 HD2 ARG A 67 15.445 -4.547 -1.911 1.00 0.00 H new ATOM 0 HD3 ARG A 67 15.750 -5.384 -3.420 1.00 0.00 H new ATOM 0 HE ARG A 67 17.404 -3.267 -2.336 1.00 0.00 H new ATOM 0 HH11 ARG A 67 17.957 -5.278 -4.653 1.00 0.00 H new ATOM 0 HH12 ARG A 67 18.249 -4.153 -5.983 1.00 0.00 H new ATOM 0 HH21 ARG A 67 16.853 -1.422 -4.308 1.00 0.00 H new ATOM 0 HH22 ARG A 67 17.629 -1.989 -5.789 1.00 0.00 H new ATOM 483 N PHE A 68 11.519 -0.726 -4.590 1.00 0.00 N ATOM 484 CA PHE A 68 10.222 -1.009 -5.261 1.00 0.00 C ATOM 485 C PHE A 68 10.082 -0.077 -6.464 1.00 0.00 C ATOM 486 O PHE A 68 10.855 0.845 -6.628 1.00 0.00 O ATOM 487 CB PHE A 68 9.090 -0.720 -4.284 1.00 0.00 C ATOM 488 CG PHE A 68 8.547 -1.997 -3.694 1.00 0.00 C ATOM 489 CD1 PHE A 68 9.265 -3.197 -3.778 1.00 0.00 C ATOM 490 CD2 PHE A 68 7.305 -1.974 -3.064 1.00 0.00 C ATOM 491 CE1 PHE A 68 8.728 -4.366 -3.230 1.00 0.00 C ATOM 492 CE2 PHE A 68 6.773 -3.138 -2.516 1.00 0.00 C ATOM 493 CZ PHE A 68 7.481 -4.331 -2.598 1.00 0.00 C ATOM 0 H PHE A 68 11.637 0.237 -4.275 1.00 0.00 H new ATOM 0 HA PHE A 68 10.183 -2.050 -5.582 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.450 -0.071 -3.486 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.291 -0.183 -4.796 1.00 0.00 H new ATOM 0 HD1 PHE A 68 10.229 -3.219 -4.264 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.752 -1.049 -3.000 1.00 0.00 H new ATOM 0 HE1 PHE A 68 9.276 -5.295 -3.295 1.00 0.00 H new ATOM 0 HE2 PHE A 68 5.810 -3.114 -2.027 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.067 -5.233 -2.173 1.00 0.00 H new ATOM 494 N THR A 69 9.110 -0.292 -7.309 1.00 0.00 N ATOM 495 CA THR A 69 8.966 0.615 -8.484 1.00 0.00 C ATOM 496 C THR A 69 7.491 0.907 -8.782 1.00 0.00 C ATOM 497 O THR A 69 6.700 0.013 -9.008 1.00 0.00 O ATOM 498 CB THR A 69 9.598 -0.048 -9.705 1.00 0.00 C ATOM 499 OG1 THR A 69 9.723 0.903 -10.753 1.00 0.00 O ATOM 500 CG2 THR A 69 8.708 -1.199 -10.159 1.00 0.00 C ATOM 0 H THR A 69 8.421 -1.041 -7.240 1.00 0.00 H new ATOM 0 HA THR A 69 9.465 1.557 -8.256 1.00 0.00 H new ATOM 0 HB THR A 69 10.587 -0.427 -9.449 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.130 0.476 -11.535 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.151 -1.679 -11.031 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.614 -1.926 -9.353 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.721 -0.816 -10.418 1.00 0.00 H new ATOM 501 N ILE A 70 7.129 2.162 -8.823 1.00 0.00 N ATOM 502 CA ILE A 70 5.724 2.538 -9.150 1.00 0.00 C ATOM 503 C ILE A 70 5.571 2.513 -10.672 1.00 0.00 C ATOM 504 O ILE A 70 5.565 3.543 -11.317 1.00 0.00 O ATOM 505 CB ILE A 70 5.446 3.944 -8.631 1.00 0.00 C ATOM 506 CG1 ILE A 70 4.084 4.424 -9.142 1.00 0.00 C ATOM 507 CG2 ILE A 70 6.538 4.873 -9.141 1.00 0.00 C ATOM 508 CD1 ILE A 70 3.047 3.313 -8.966 1.00 0.00 C ATOM 0 H ILE A 70 7.753 2.949 -8.642 1.00 0.00 H new ATOM 0 HA ILE A 70 5.023 1.843 -8.688 1.00 0.00 H new ATOM 0 HB ILE A 70 5.434 3.942 -7.541 1.00 0.00 H new ATOM 0 HG12 ILE A 70 3.773 5.315 -8.596 1.00 0.00 H new ATOM 0 HG13 ILE A 70 4.157 4.704 -10.193 1.00 0.00 H new ATOM 0 HG21 ILE A 70 6.354 5.884 -8.778 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.507 4.529 -8.779 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.536 4.872 -10.231 1.00 0.00 H new ATOM 0 HD11 ILE A 70 2.079 3.658 -9.330 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.356 2.434 -9.532 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.966 3.055 -7.910 1.00 0.00 H new ATOM 509 N SER A 71 5.461 1.348 -11.257 1.00 0.00 N ATOM 510 CA SER A 71 5.327 1.281 -12.739 1.00 0.00 C ATOM 511 C SER A 71 4.050 2.006 -13.146 1.00 0.00 C ATOM 512 O SER A 71 3.084 2.018 -12.413 1.00 0.00 O ATOM 513 CB SER A 71 5.259 -0.180 -13.187 1.00 0.00 C ATOM 514 OG SER A 71 6.467 -0.521 -13.855 1.00 0.00 O ATOM 0 H SER A 71 5.458 0.449 -10.776 1.00 0.00 H new ATOM 0 HA SER A 71 6.188 1.753 -13.212 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.110 -0.831 -12.325 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.408 -0.330 -13.851 1.00 0.00 H new ATOM 0 HG SER A 71 6.317 -1.306 -14.422 1.00 0.00 H new ATOM 515 N ARG A 72 4.028 2.618 -14.299 1.00 0.00 N ATOM 516 CA ARG A 72 2.793 3.342 -14.707 1.00 0.00 C ATOM 517 C ARG A 72 2.581 3.257 -16.222 1.00 0.00 C ATOM 518 O ARG A 72 3.518 3.217 -16.995 1.00 0.00 O ATOM 519 CB ARG A 72 2.874 4.809 -14.230 1.00 0.00 C ATOM 520 CG ARG A 72 2.900 5.790 -15.413 1.00 0.00 C ATOM 521 CD ARG A 72 1.478 5.980 -15.945 1.00 0.00 C ATOM 522 NE ARG A 72 1.162 7.433 -16.019 1.00 0.00 N ATOM 523 CZ ARG A 72 1.396 8.098 -17.117 1.00 0.00 C ATOM 524 NH1 ARG A 72 2.384 7.747 -17.896 1.00 0.00 N ATOM 525 NH2 ARG A 72 0.643 9.114 -17.438 1.00 0.00 N ATOM 0 H ARG A 72 4.799 2.648 -14.966 1.00 0.00 H new ATOM 0 HA ARG A 72 1.931 2.869 -14.236 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.019 5.032 -13.591 1.00 0.00 H new ATOM 0 HB3 ARG A 72 3.770 4.946 -13.624 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.313 6.748 -15.097 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.548 5.408 -16.202 1.00 0.00 H new ATOM 0 HD2 ARG A 72 1.385 5.527 -16.932 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.765 5.475 -15.293 1.00 0.00 H new ATOM 0 HE ARG A 72 0.762 7.909 -15.210 1.00 0.00 H new ATOM 0 HH11 ARG A 72 2.973 6.953 -17.646 1.00 0.00 H new ATOM 0 HH12 ARG A 72 2.566 8.267 -18.754 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.129 9.389 -16.831 1.00 0.00 H new ATOM 0 HH22 ARG A 72 0.826 9.634 -18.296 1.00 0.00 H new ATOM 526 N ASP A 73 1.343 3.246 -16.645 1.00 0.00 N ATOM 527 CA ASP A 73 1.049 3.185 -18.100 1.00 0.00 C ATOM 528 C ASP A 73 -0.102 4.148 -18.416 1.00 0.00 C ATOM 529 O ASP A 73 -1.273 3.851 -18.226 1.00 0.00 O ATOM 530 CB ASP A 73 0.693 1.755 -18.492 1.00 0.00 C ATOM 531 CG ASP A 73 1.959 0.898 -18.444 1.00 0.00 C ATOM 532 OD1 ASP A 73 2.530 0.777 -17.373 1.00 0.00 O ATOM 533 OD2 ASP A 73 2.336 0.376 -19.481 1.00 0.00 O ATOM 0 H ASP A 73 0.523 3.277 -16.039 1.00 0.00 H new ATOM 0 HA ASP A 73 1.925 3.485 -18.675 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.059 1.354 -17.813 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.262 1.735 -19.493 1.00 0.00 H new ATOM 534 N ASN A 74 0.263 5.316 -18.863 1.00 0.00 N ATOM 535 CA ASN A 74 -0.712 6.395 -19.192 1.00 0.00 C ATOM 536 C ASN A 74 -1.936 5.875 -19.975 1.00 0.00 C ATOM 537 O ASN A 74 -2.941 5.495 -19.412 1.00 0.00 O ATOM 538 CB ASN A 74 0.017 7.433 -20.042 1.00 0.00 C ATOM 539 CG ASN A 74 -0.943 8.561 -20.431 1.00 0.00 C ATOM 540 OD1 ASN A 74 -2.118 8.337 -20.633 1.00 0.00 O ATOM 541 ND2 ASN A 74 -0.483 9.777 -20.545 1.00 0.00 N ATOM 0 H ASN A 74 1.236 5.577 -19.020 1.00 0.00 H new ATOM 0 HA ASN A 74 -1.086 6.816 -18.259 1.00 0.00 H new ATOM 0 HB2 ASN A 74 0.863 7.840 -19.488 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.420 6.962 -20.939 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -1.111 10.538 -20.804 1.00 0.00 H new ATOM 0 HD22 ASN A 74 0.505 9.967 -20.375 1.00 0.00 H new ATOM 542 N SER A 75 -1.865 5.901 -21.282 1.00 0.00 N ATOM 543 CA SER A 75 -3.025 5.469 -22.127 1.00 0.00 C ATOM 544 C SER A 75 -3.456 4.034 -21.815 1.00 0.00 C ATOM 545 O SER A 75 -4.464 3.568 -22.309 1.00 0.00 O ATOM 546 CB SER A 75 -2.628 5.565 -23.600 1.00 0.00 C ATOM 547 OG SER A 75 -2.823 6.900 -24.051 1.00 0.00 O ATOM 0 H SER A 75 -1.045 6.206 -21.807 1.00 0.00 H new ATOM 0 HA SER A 75 -3.867 6.126 -21.908 1.00 0.00 H new ATOM 0 HB2 SER A 75 -1.585 5.274 -23.728 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.227 4.876 -24.196 1.00 0.00 H new ATOM 0 HG SER A 75 -2.568 6.967 -24.995 1.00 0.00 H new ATOM 548 N LYS A 76 -2.719 3.324 -21.018 1.00 0.00 N ATOM 549 CA LYS A 76 -3.116 1.926 -20.707 1.00 0.00 C ATOM 550 C LYS A 76 -4.202 1.930 -19.631 1.00 0.00 C ATOM 551 O LYS A 76 -4.644 0.892 -19.177 1.00 0.00 O ATOM 552 CB LYS A 76 -1.897 1.162 -20.208 1.00 0.00 C ATOM 553 CG LYS A 76 -0.862 1.051 -21.341 1.00 0.00 C ATOM 554 CD LYS A 76 -0.300 2.440 -21.693 1.00 0.00 C ATOM 555 CE LYS A 76 1.018 2.276 -22.451 1.00 0.00 C ATOM 556 NZ LYS A 76 0.753 1.651 -23.777 1.00 0.00 N ATOM 0 H LYS A 76 -1.862 3.647 -20.569 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.506 1.444 -21.604 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.460 1.674 -19.351 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.191 0.168 -19.871 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.050 0.390 -21.037 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -1.324 0.605 -22.222 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.017 2.991 -22.302 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.140 3.021 -20.785 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.497 3.246 -22.583 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.706 1.657 -21.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.619 1.678 -24.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.457 0.663 -23.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.002 2.175 -24.263 1.00 0.00 H new ATOM 557 N ASN A 77 -4.642 3.090 -19.222 1.00 0.00 N ATOM 558 CA ASN A 77 -5.695 3.166 -18.193 1.00 0.00 C ATOM 559 C ASN A 77 -5.204 2.543 -16.889 1.00 0.00 C ATOM 560 O ASN A 77 -5.988 2.012 -16.133 1.00 0.00 O ATOM 561 CB ASN A 77 -6.941 2.423 -18.677 1.00 0.00 C ATOM 562 CG ASN A 77 -7.771 3.344 -19.575 1.00 0.00 C ATOM 563 OD1 ASN A 77 -7.469 4.512 -19.712 1.00 0.00 O ATOM 564 ND2 ASN A 77 -8.812 2.862 -20.197 1.00 0.00 N ATOM 0 H ASN A 77 -4.308 3.991 -19.565 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.940 4.213 -18.016 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -6.652 1.527 -19.226 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -7.536 2.096 -17.824 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -9.372 3.466 -20.798 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -9.066 1.881 -20.082 1.00 0.00 H new ATOM 565 N THR A 78 -3.930 2.606 -16.586 1.00 0.00 N ATOM 566 CA THR A 78 -3.492 2.010 -15.294 1.00 0.00 C ATOM 567 C THR A 78 -1.977 2.049 -15.134 1.00 0.00 C ATOM 568 O THR A 78 -1.229 2.173 -16.084 1.00 0.00 O ATOM 569 CB THR A 78 -3.957 0.558 -15.242 1.00 0.00 C ATOM 570 OG1 THR A 78 -3.265 -0.123 -14.205 1.00 0.00 O ATOM 571 CG2 THR A 78 -3.666 -0.113 -16.585 1.00 0.00 C ATOM 0 H THR A 78 -3.199 3.030 -17.158 1.00 0.00 H new ATOM 0 HA THR A 78 -3.931 2.594 -14.485 1.00 0.00 H new ATOM 0 HB THR A 78 -5.028 0.521 -15.043 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.564 -1.056 -14.170 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.997 -1.151 -16.552 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.199 0.413 -17.377 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.595 -0.080 -16.784 1.00 0.00 H new ATOM 572 N LEU A 79 -1.531 1.921 -13.913 1.00 0.00 N ATOM 573 CA LEU A 79 -0.062 1.923 -13.634 1.00 0.00 C ATOM 574 C LEU A 79 0.303 0.611 -12.928 1.00 0.00 C ATOM 575 O LEU A 79 -0.475 0.087 -12.172 1.00 0.00 O ATOM 576 CB LEU A 79 0.283 3.118 -12.741 1.00 0.00 C ATOM 577 CG LEU A 79 -0.666 3.153 -11.553 1.00 0.00 C ATOM 578 CD1 LEU A 79 -0.008 3.916 -10.400 1.00 0.00 C ATOM 579 CD2 LEU A 79 -1.960 3.851 -11.972 1.00 0.00 C ATOM 0 H LEU A 79 -2.124 1.814 -13.090 1.00 0.00 H new ATOM 0 HA LEU A 79 0.501 2.006 -14.564 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.314 3.041 -12.395 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.206 4.045 -13.309 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.892 2.139 -11.224 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.686 3.942 -9.547 1.00 0.00 H new ATOM 0 HD12 LEU A 79 0.916 3.415 -10.113 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.215 4.934 -10.718 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.647 3.881 -11.127 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.737 4.868 -12.295 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.420 3.302 -12.794 1.00 0.00 H new ATOM 580 N TYR A 80 1.461 0.051 -13.175 1.00 0.00 N ATOM 581 CA TYR A 80 1.795 -1.255 -12.519 1.00 0.00 C ATOM 582 C TYR A 80 2.778 -1.075 -11.362 1.00 0.00 C ATOM 583 O TYR A 80 3.257 0.008 -11.088 1.00 0.00 O ATOM 584 CB TYR A 80 2.414 -2.204 -13.550 1.00 0.00 C ATOM 585 CG TYR A 80 1.846 -1.929 -14.926 1.00 0.00 C ATOM 586 CD1 TYR A 80 0.511 -1.527 -15.074 1.00 0.00 C ATOM 587 CD2 TYR A 80 2.656 -2.085 -16.059 1.00 0.00 C ATOM 588 CE1 TYR A 80 -0.010 -1.282 -16.348 1.00 0.00 C ATOM 589 CE2 TYR A 80 2.132 -1.838 -17.333 1.00 0.00 C ATOM 590 CZ TYR A 80 0.800 -1.438 -17.477 1.00 0.00 C ATOM 591 OH TYR A 80 0.284 -1.195 -18.734 1.00 0.00 O ATOM 0 H TYR A 80 2.180 0.432 -13.791 1.00 0.00 H new ATOM 0 HA TYR A 80 0.869 -1.670 -12.121 1.00 0.00 H new ATOM 0 HB2 TYR A 80 3.497 -2.079 -13.565 1.00 0.00 H new ATOM 0 HB3 TYR A 80 2.216 -3.238 -13.267 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.116 -1.406 -14.203 1.00 0.00 H new ATOM 0 HD2 TYR A 80 3.684 -2.396 -15.949 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -1.038 -0.972 -16.460 1.00 0.00 H new ATOM 0 HE2 TYR A 80 2.757 -1.956 -18.206 1.00 0.00 H new ATOM 0 HH TYR A 80 1.016 -1.002 -19.356 1.00 0.00 H new ATOM 592 N LEU A 81 3.076 -2.155 -10.680 1.00 0.00 N ATOM 593 CA LEU A 81 4.023 -2.097 -9.531 1.00 0.00 C ATOM 594 C LEU A 81 4.947 -3.304 -9.552 1.00 0.00 C ATOM 595 O LEU A 81 4.502 -4.429 -9.407 1.00 0.00 O ATOM 596 CB LEU A 81 3.265 -2.206 -8.206 1.00 0.00 C ATOM 597 CG LEU A 81 2.762 -0.856 -7.724 1.00 0.00 C ATOM 598 CD1 LEU A 81 2.570 -0.907 -6.202 1.00 0.00 C ATOM 599 CD2 LEU A 81 3.761 0.247 -8.030 1.00 0.00 C ATOM 0 H LEU A 81 2.698 -3.082 -10.876 1.00 0.00 H new ATOM 0 HA LEU A 81 4.567 -1.156 -9.615 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.421 -2.885 -8.326 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.918 -2.640 -7.449 1.00 0.00 H new ATOM 0 HG LEU A 81 1.824 -0.643 -8.237 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.209 0.059 -5.848 1.00 0.00 H new ATOM 0 HD12 LEU A 81 1.843 -1.680 -5.953 1.00 0.00 H new ATOM 0 HD13 LEU A 81 3.522 -1.136 -5.723 1.00 0.00 H new ATOM 0 HD21 LEU A 81 3.371 1.200 -7.673 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.706 0.031 -7.531 1.00 0.00 H new ATOM 0 HD23 LEU A 81 3.924 0.302 -9.106 1.00 0.00 H new ATOM 600 N GLN A 82 6.221 -3.092 -9.637 1.00 0.00 N ATOM 601 CA GLN A 82 7.140 -4.245 -9.548 1.00 0.00 C ATOM 602 C GLN A 82 7.608 -4.258 -8.095 1.00 0.00 C ATOM 603 O GLN A 82 8.400 -3.426 -7.680 1.00 0.00 O ATOM 604 CB GLN A 82 8.324 -4.079 -10.503 1.00 0.00 C ATOM 605 CG GLN A 82 7.834 -3.451 -11.811 1.00 0.00 C ATOM 606 CD GLN A 82 6.754 -4.344 -12.426 1.00 0.00 C ATOM 607 OE1 GLN A 82 6.799 -5.551 -12.295 1.00 0.00 O ATOM 608 NE2 GLN A 82 5.775 -3.797 -13.096 1.00 0.00 N ATOM 0 H GLN A 82 6.662 -2.181 -9.763 1.00 0.00 H new ATOM 0 HA GLN A 82 6.654 -5.179 -9.832 1.00 0.00 H new ATOM 0 HB2 GLN A 82 9.088 -3.449 -10.047 1.00 0.00 H new ATOM 0 HB3 GLN A 82 8.785 -5.047 -10.701 1.00 0.00 H new ATOM 0 HG2 GLN A 82 7.434 -2.455 -11.622 1.00 0.00 H new ATOM 0 HG3 GLN A 82 8.666 -3.335 -12.506 1.00 0.00 H new ATOM 0 HE21 GLN A 82 5.736 -2.784 -13.207 1.00 0.00 H new ATOM 0 HE22 GLN A 82 5.049 -4.383 -13.509 1.00 0.00 H new ATOM 609 N MET A 83 7.071 -5.140 -7.294 1.00 0.00 N ATOM 610 CA MET A 83 7.438 -5.143 -5.846 1.00 0.00 C ATOM 611 C MET A 83 7.925 -6.534 -5.427 1.00 0.00 C ATOM 612 O MET A 83 7.186 -7.497 -5.455 1.00 0.00 O ATOM 613 CB MET A 83 6.203 -4.753 -5.007 1.00 0.00 C ATOM 614 CG MET A 83 4.923 -4.997 -5.804 1.00 0.00 C ATOM 615 SD MET A 83 3.562 -5.302 -4.659 1.00 0.00 S ATOM 616 CE MET A 83 2.342 -4.262 -5.495 1.00 0.00 C ATOM 0 H MET A 83 6.399 -5.854 -7.576 1.00 0.00 H new ATOM 0 HA MET A 83 8.240 -4.424 -5.678 1.00 0.00 H new ATOM 0 HB2 MET A 83 6.182 -5.335 -4.085 1.00 0.00 H new ATOM 0 HB3 MET A 83 6.266 -3.703 -4.720 1.00 0.00 H new ATOM 0 HG2 MET A 83 4.700 -4.134 -6.431 1.00 0.00 H new ATOM 0 HG3 MET A 83 5.052 -5.850 -6.470 1.00 0.00 H new ATOM 0 HE1 MET A 83 1.978 -3.501 -4.805 1.00 0.00 H new ATOM 0 HE2 MET A 83 2.804 -3.780 -6.356 1.00 0.00 H new ATOM 0 HE3 MET A 83 1.507 -4.878 -5.829 1.00 0.00 H new ATOM 617 N ASN A 84 9.167 -6.639 -5.032 1.00 0.00 N ATOM 618 CA ASN A 84 9.712 -7.961 -4.605 1.00 0.00 C ATOM 619 C ASN A 84 10.286 -7.853 -3.188 1.00 0.00 C ATOM 620 O ASN A 84 9.834 -7.068 -2.379 1.00 0.00 O ATOM 621 CB ASN A 84 10.826 -8.381 -5.568 1.00 0.00 C ATOM 622 CG ASN A 84 12.027 -7.446 -5.402 1.00 0.00 C ATOM 623 OD1 ASN A 84 12.023 -6.574 -4.557 1.00 0.00 O ATOM 624 ND2 ASN A 84 13.064 -7.590 -6.181 1.00 0.00 N ATOM 0 H ASN A 84 9.829 -5.864 -4.987 1.00 0.00 H new ATOM 0 HA ASN A 84 8.912 -8.701 -4.615 1.00 0.00 H new ATOM 0 HB2 ASN A 84 11.124 -9.411 -5.369 1.00 0.00 H new ATOM 0 HB3 ASN A 84 10.465 -8.346 -6.596 1.00 0.00 H new ATOM 0 HD21 ASN A 84 13.868 -6.971 -6.079 1.00 0.00 H new ATOM 0 HD22 ASN A 84 13.070 -8.322 -6.892 1.00 0.00 H new ATOM 625 N SER A 85 11.288 -8.633 -2.888 1.00 0.00 N ATOM 626 CA SER A 85 11.910 -8.578 -1.534 1.00 0.00 C ATOM 627 C SER A 85 11.046 -9.325 -0.512 1.00 0.00 C ATOM 628 O SER A 85 11.459 -9.549 0.608 1.00 0.00 O ATOM 629 CB SER A 85 12.067 -7.120 -1.105 1.00 0.00 C ATOM 630 OG SER A 85 13.128 -7.021 -0.166 1.00 0.00 O ATOM 0 H SER A 85 11.705 -9.310 -3.526 1.00 0.00 H new ATOM 0 HA SER A 85 12.888 -9.057 -1.578 1.00 0.00 H new ATOM 0 HB2 SER A 85 12.274 -6.493 -1.973 1.00 0.00 H new ATOM 0 HB3 SER A 85 11.139 -6.757 -0.663 1.00 0.00 H new ATOM 0 HG SER A 85 13.234 -6.087 0.111 1.00 0.00 H new ATOM 631 N LEU A 86 9.857 -9.720 -0.880 1.00 0.00 N ATOM 632 CA LEU A 86 8.996 -10.457 0.089 1.00 0.00 C ATOM 633 C LEU A 86 9.731 -11.736 0.516 1.00 0.00 C ATOM 634 O LEU A 86 10.928 -11.842 0.344 1.00 0.00 O ATOM 635 CB LEU A 86 7.659 -10.807 -0.574 1.00 0.00 C ATOM 636 CG LEU A 86 6.841 -9.528 -0.836 1.00 0.00 C ATOM 637 CD1 LEU A 86 6.998 -8.545 0.329 1.00 0.00 C ATOM 638 CD2 LEU A 86 7.324 -8.858 -2.129 1.00 0.00 C ATOM 0 H LEU A 86 9.447 -9.566 -1.801 1.00 0.00 H new ATOM 0 HA LEU A 86 8.796 -9.840 0.965 1.00 0.00 H new ATOM 0 HB2 LEU A 86 7.837 -11.332 -1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 86 7.094 -11.484 0.067 1.00 0.00 H new ATOM 0 HG LEU A 86 5.791 -9.803 -0.933 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.414 -7.647 0.128 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.643 -9.011 1.248 1.00 0.00 H new ATOM 0 HD13 LEU A 86 8.049 -8.277 0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.742 -7.954 -2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 86 8.378 -8.598 -2.032 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.195 -9.545 -2.965 1.00 0.00 H new ATOM 639 N ARG A 87 9.050 -12.709 1.073 1.00 0.00 N ATOM 640 CA ARG A 87 9.781 -13.946 1.491 1.00 0.00 C ATOM 641 C ARG A 87 8.823 -15.132 1.669 1.00 0.00 C ATOM 642 O ARG A 87 8.815 -15.785 2.694 1.00 0.00 O ATOM 643 CB ARG A 87 10.508 -13.682 2.806 1.00 0.00 C ATOM 644 CG ARG A 87 9.503 -13.680 3.959 1.00 0.00 C ATOM 645 CD ARG A 87 9.859 -12.565 4.946 1.00 0.00 C ATOM 646 NE ARG A 87 10.026 -13.143 6.310 1.00 0.00 N ATOM 647 CZ ARG A 87 9.489 -12.548 7.340 1.00 0.00 C ATOM 648 NH1 ARG A 87 8.271 -12.842 7.704 1.00 0.00 N ATOM 649 NH2 ARG A 87 10.172 -11.658 8.006 1.00 0.00 N ATOM 0 H ARG A 87 8.046 -12.703 1.253 1.00 0.00 H new ATOM 0 HA ARG A 87 10.495 -14.201 0.707 1.00 0.00 H new ATOM 0 HB2 ARG A 87 11.267 -14.447 2.973 1.00 0.00 H new ATOM 0 HB3 ARG A 87 11.026 -12.724 2.760 1.00 0.00 H new ATOM 0 HG2 ARG A 87 8.494 -13.532 3.575 1.00 0.00 H new ATOM 0 HG3 ARG A 87 9.513 -14.645 4.465 1.00 0.00 H new ATOM 0 HD2 ARG A 87 10.778 -12.069 4.635 1.00 0.00 H new ATOM 0 HD3 ARG A 87 9.075 -11.808 4.954 1.00 0.00 H new ATOM 0 HE ARG A 87 10.560 -14.003 6.438 1.00 0.00 H new ATOM 0 HH11 ARG A 87 7.737 -13.538 7.183 1.00 0.00 H new ATOM 0 HH12 ARG A 87 7.853 -12.376 8.509 1.00 0.00 H new ATOM 0 HH21 ARG A 87 11.124 -11.428 7.721 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.754 -11.192 8.811 1.00 0.00 H new ATOM 650 N ALA A 88 8.043 -15.429 0.671 1.00 0.00 N ATOM 651 CA ALA A 88 7.103 -16.590 0.761 1.00 0.00 C ATOM 652 C ALA A 88 6.489 -16.667 2.155 1.00 0.00 C ATOM 653 O ALA A 88 6.188 -17.737 2.648 1.00 0.00 O ATOM 654 CB ALA A 88 7.874 -17.881 0.502 1.00 0.00 C ATOM 0 H ALA A 88 8.012 -14.918 -0.211 1.00 0.00 H new ATOM 0 HA ALA A 88 6.313 -16.459 0.021 1.00 0.00 H new ATOM 0 HB1 ALA A 88 7.194 -18.730 0.566 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.318 -17.846 -0.493 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.662 -17.990 1.247 1.00 0.00 H new ATOM 655 N GLU A 89 6.312 -15.558 2.805 1.00 0.00 N ATOM 656 CA GLU A 89 5.732 -15.601 4.171 1.00 0.00 C ATOM 657 C GLU A 89 5.099 -14.252 4.502 1.00 0.00 C ATOM 658 O GLU A 89 5.111 -13.810 5.633 1.00 0.00 O ATOM 659 CB GLU A 89 6.846 -15.910 5.169 1.00 0.00 C ATOM 660 CG GLU A 89 6.598 -17.279 5.805 1.00 0.00 C ATOM 661 CD GLU A 89 7.905 -17.810 6.397 1.00 0.00 C ATOM 662 OE1 GLU A 89 8.415 -17.185 7.312 1.00 0.00 O ATOM 663 OE2 GLU A 89 8.373 -18.833 5.924 1.00 0.00 O ATOM 0 H GLU A 89 6.542 -14.628 2.454 1.00 0.00 H new ATOM 0 HA GLU A 89 4.965 -16.374 4.225 1.00 0.00 H new ATOM 0 HB2 GLU A 89 7.813 -15.901 4.665 1.00 0.00 H new ATOM 0 HB3 GLU A 89 6.882 -15.140 5.940 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.840 -17.198 6.584 1.00 0.00 H new ATOM 0 HG3 GLU A 89 6.215 -17.975 5.058 1.00 0.00 H new ATOM 664 N ASP A 90 4.543 -13.593 3.524 1.00 0.00 N ATOM 665 CA ASP A 90 3.911 -12.275 3.790 1.00 0.00 C ATOM 666 C ASP A 90 2.929 -11.947 2.667 1.00 0.00 C ATOM 667 O ASP A 90 3.001 -10.900 2.055 1.00 0.00 O ATOM 668 CB ASP A 90 4.986 -11.186 3.865 1.00 0.00 C ATOM 669 CG ASP A 90 6.174 -11.570 2.980 1.00 0.00 C ATOM 670 OD1 ASP A 90 5.945 -12.151 1.932 1.00 0.00 O ATOM 671 OD2 ASP A 90 7.294 -11.276 3.366 1.00 0.00 O ATOM 0 H ASP A 90 4.500 -13.910 2.556 1.00 0.00 H new ATOM 0 HA ASP A 90 3.379 -12.317 4.741 1.00 0.00 H new ATOM 0 HB2 ASP A 90 4.573 -10.231 3.541 1.00 0.00 H new ATOM 0 HB3 ASP A 90 5.315 -11.057 4.896 1.00 0.00 H new ATOM 672 N THR A 91 1.999 -12.823 2.397 1.00 0.00 N ATOM 673 CA THR A 91 1.011 -12.530 1.323 1.00 0.00 C ATOM 674 C THR A 91 0.475 -11.125 1.575 1.00 0.00 C ATOM 675 O THR A 91 0.754 -10.533 2.598 1.00 0.00 O ATOM 676 CB THR A 91 -0.123 -13.557 1.373 1.00 0.00 C ATOM 677 OG1 THR A 91 0.385 -14.834 1.013 1.00 0.00 O ATOM 678 CG2 THR A 91 -1.229 -13.155 0.398 1.00 0.00 C ATOM 0 H THR A 91 1.882 -13.720 2.869 1.00 0.00 H new ATOM 0 HA THR A 91 1.471 -12.588 0.336 1.00 0.00 H new ATOM 0 HB THR A 91 -0.532 -13.595 2.383 1.00 0.00 H new ATOM 0 HG1 THR A 91 -0.338 -15.495 1.046 1.00 0.00 H new ATOM 0 HG21 THR A 91 -2.034 -13.889 0.438 1.00 0.00 H new ATOM 0 HG22 THR A 91 -1.618 -12.175 0.673 1.00 0.00 H new ATOM 0 HG23 THR A 91 -0.825 -13.114 -0.614 1.00 0.00 H new ATOM 679 N ALA A 92 -0.272 -10.562 0.671 1.00 0.00 N ATOM 680 CA ALA A 92 -0.768 -9.187 0.925 1.00 0.00 C ATOM 681 C ALA A 92 -1.776 -8.780 -0.137 1.00 0.00 C ATOM 682 O ALA A 92 -1.757 -9.257 -1.251 1.00 0.00 O ATOM 683 CB ALA A 92 0.415 -8.217 0.897 1.00 0.00 C ATOM 0 H ALA A 92 -0.555 -10.983 -0.214 1.00 0.00 H new ATOM 0 HA ALA A 92 -1.255 -9.160 1.900 1.00 0.00 H new ATOM 0 HB1 ALA A 92 0.059 -7.204 1.083 1.00 0.00 H new ATOM 0 HB2 ALA A 92 1.133 -8.497 1.668 1.00 0.00 H new ATOM 0 HB3 ALA A 92 0.897 -8.259 -0.080 1.00 0.00 H new ATOM 684 N VAL A 93 -2.635 -7.868 0.200 1.00 0.00 N ATOM 685 CA VAL A 93 -3.631 -7.379 -0.780 1.00 0.00 C ATOM 686 C VAL A 93 -3.466 -5.864 -0.860 1.00 0.00 C ATOM 687 O VAL A 93 -3.193 -5.205 0.122 1.00 0.00 O ATOM 688 CB VAL A 93 -5.056 -7.765 -0.354 1.00 0.00 C ATOM 689 CG1 VAL A 93 -5.928 -7.992 -1.600 1.00 0.00 C ATOM 690 CG2 VAL A 93 -5.007 -9.057 0.466 1.00 0.00 C ATOM 0 H VAL A 93 -2.690 -7.436 1.123 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.469 -7.832 -1.758 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.482 -6.961 0.246 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.937 -8.265 -1.293 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -5.964 -7.077 -2.191 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -5.502 -8.795 -2.201 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -6.017 -9.334 0.770 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.578 -9.856 -0.139 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.391 -8.903 1.352 1.00 0.00 H new ATOM 691 N TYR A 94 -3.570 -5.319 -2.027 1.00 0.00 N ATOM 692 CA TYR A 94 -3.353 -3.857 -2.188 1.00 0.00 C ATOM 693 C TYR A 94 -4.620 -3.169 -2.696 1.00 0.00 C ATOM 694 O TYR A 94 -5.341 -3.690 -3.523 1.00 0.00 O ATOM 695 CB TYR A 94 -2.233 -3.660 -3.209 1.00 0.00 C ATOM 696 CG TYR A 94 -1.093 -4.580 -2.888 1.00 0.00 C ATOM 697 CD1 TYR A 94 -0.813 -4.923 -1.563 1.00 0.00 C ATOM 698 CD2 TYR A 94 -0.311 -5.075 -3.922 1.00 0.00 C ATOM 699 CE1 TYR A 94 0.260 -5.764 -1.271 1.00 0.00 C ATOM 700 CE2 TYR A 94 0.763 -5.922 -3.636 1.00 0.00 C ATOM 701 CZ TYR A 94 1.052 -6.267 -2.308 1.00 0.00 C ATOM 702 OH TYR A 94 2.113 -7.102 -2.025 1.00 0.00 O ATOM 0 H TYR A 94 -3.797 -5.821 -2.885 1.00 0.00 H new ATOM 0 HA TYR A 94 -3.092 -3.420 -1.224 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.604 -3.861 -4.214 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -1.893 -2.625 -3.196 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -1.428 -4.536 -0.764 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -0.532 -4.806 -4.945 1.00 0.00 H new ATOM 0 HE1 TYR A 94 0.479 -6.026 -0.246 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.371 -6.311 -4.439 1.00 0.00 H new ATOM 0 HH TYR A 94 2.477 -6.881 -1.142 1.00 0.00 H new ATOM 703 N TYR A 95 -4.881 -1.987 -2.215 1.00 0.00 N ATOM 704 CA TYR A 95 -6.077 -1.240 -2.670 1.00 0.00 C ATOM 705 C TYR A 95 -5.616 0.136 -3.132 1.00 0.00 C ATOM 706 O TYR A 95 -5.080 0.910 -2.364 1.00 0.00 O ATOM 707 CB TYR A 95 -7.046 -1.097 -1.511 1.00 0.00 C ATOM 708 CG TYR A 95 -7.670 -2.434 -1.210 1.00 0.00 C ATOM 709 CD1 TYR A 95 -6.863 -3.506 -0.816 1.00 0.00 C ATOM 710 CD2 TYR A 95 -9.054 -2.605 -1.341 1.00 0.00 C ATOM 711 CE1 TYR A 95 -7.446 -4.753 -0.548 1.00 0.00 C ATOM 712 CE2 TYR A 95 -9.634 -3.848 -1.069 1.00 0.00 C ATOM 713 CZ TYR A 95 -8.829 -4.922 -0.673 1.00 0.00 C ATOM 714 OH TYR A 95 -9.399 -6.150 -0.410 1.00 0.00 O ATOM 0 H TYR A 95 -4.310 -1.505 -1.520 1.00 0.00 H new ATOM 0 HA TYR A 95 -6.577 -1.764 -3.485 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -6.524 -0.721 -0.631 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -7.820 -0.370 -1.758 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.796 -3.374 -0.719 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -9.673 -1.777 -1.652 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -6.826 -5.584 -0.245 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -10.702 -3.979 -1.164 1.00 0.00 H new ATOM 0 HH TYR A 95 -10.368 -6.096 -0.543 1.00 0.00 H new ATOM 715 N CYS A 96 -5.778 0.433 -4.387 1.00 0.00 N ATOM 716 CA CYS A 96 -5.294 1.738 -4.905 1.00 0.00 C ATOM 717 C CYS A 96 -5.844 2.916 -4.108 1.00 0.00 C ATOM 718 O CYS A 96 -6.564 2.751 -3.142 1.00 0.00 O ATOM 719 CB CYS A 96 -5.693 1.899 -6.363 1.00 0.00 C ATOM 720 SG CYS A 96 -4.907 0.620 -7.357 1.00 0.00 S ATOM 0 H CYS A 96 -6.225 -0.171 -5.077 1.00 0.00 H new ATOM 0 HA CYS A 96 -4.209 1.738 -4.805 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -6.777 1.834 -6.462 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -5.398 2.885 -6.723 1.00 0.00 H new ATOM 721 N ALA A 97 -5.491 4.116 -4.506 1.00 0.00 N ATOM 722 CA ALA A 97 -5.980 5.310 -3.764 1.00 0.00 C ATOM 723 C ALA A 97 -5.452 6.604 -4.394 1.00 0.00 C ATOM 724 O ALA A 97 -4.449 6.626 -5.068 1.00 0.00 O ATOM 725 CB ALA A 97 -5.487 5.223 -2.322 1.00 0.00 C ATOM 0 H ALA A 97 -4.890 4.314 -5.306 1.00 0.00 H new ATOM 0 HA ALA A 97 -7.069 5.327 -3.803 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -5.837 6.092 -1.765 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -5.874 4.315 -1.859 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -4.397 5.200 -2.311 1.00 0.00 H new ATOM 726 N ARG A 98 -6.130 7.684 -4.148 1.00 0.00 N ATOM 727 CA ARG A 98 -5.692 9.017 -4.686 1.00 0.00 C ATOM 728 C ARG A 98 -4.893 9.735 -3.592 1.00 0.00 C ATOM 729 O ARG A 98 -4.757 9.226 -2.496 1.00 0.00 O ATOM 730 CB ARG A 98 -6.917 9.873 -5.049 1.00 0.00 C ATOM 731 CG ARG A 98 -8.160 9.323 -4.346 1.00 0.00 C ATOM 732 CD ARG A 98 -7.960 9.436 -2.833 1.00 0.00 C ATOM 733 NE ARG A 98 -8.842 8.461 -2.132 1.00 0.00 N ATOM 734 CZ ARG A 98 -8.824 8.383 -0.830 1.00 0.00 C ATOM 735 NH1 ARG A 98 -7.937 7.635 -0.232 1.00 0.00 N ATOM 736 NH2 ARG A 98 -9.694 9.053 -0.125 1.00 0.00 N ATOM 0 H ARG A 98 -6.983 7.710 -3.590 1.00 0.00 H new ATOM 0 HA ARG A 98 -5.086 8.870 -5.580 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -6.749 10.909 -4.753 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -7.067 9.870 -6.129 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -9.045 9.881 -4.653 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -8.325 8.283 -4.629 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -6.917 9.244 -2.580 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -8.187 10.449 -2.502 1.00 0.00 H new ATOM 0 HE ARG A 98 -9.460 7.854 -2.670 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -7.257 7.111 -0.783 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -7.924 7.575 0.786 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -10.388 9.637 -0.592 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -9.681 8.992 0.893 1.00 0.00 H new ATOM 737 N LEU A 99 -4.360 10.907 -3.850 1.00 0.00 N ATOM 738 CA LEU A 99 -3.585 11.591 -2.767 1.00 0.00 C ATOM 739 C LEU A 99 -3.225 13.042 -3.125 1.00 0.00 C ATOM 740 O LEU A 99 -2.146 13.502 -2.807 1.00 0.00 O ATOM 741 CB LEU A 99 -2.291 10.820 -2.503 1.00 0.00 C ATOM 742 CG LEU A 99 -1.849 10.097 -3.777 1.00 0.00 C ATOM 743 CD1 LEU A 99 -1.933 11.048 -4.973 1.00 0.00 C ATOM 744 CD2 LEU A 99 -0.404 9.625 -3.611 1.00 0.00 C ATOM 0 H LEU A 99 -4.425 11.407 -4.737 1.00 0.00 H new ATOM 0 HA LEU A 99 -4.221 11.610 -1.882 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -1.510 11.505 -2.173 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -2.444 10.100 -1.699 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.503 9.243 -3.951 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.617 10.526 -5.876 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.960 11.391 -5.093 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.282 11.905 -4.803 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.084 9.109 -4.516 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.242 10.485 -3.436 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.339 8.944 -2.763 1.00 0.00 H new ATOM 745 N LYS A 100 -4.101 13.786 -3.745 1.00 0.00 N ATOM 746 CA LYS A 100 -3.745 15.206 -4.051 1.00 0.00 C ATOM 747 C LYS A 100 -4.939 16.127 -3.769 1.00 0.00 C ATOM 748 O LYS A 100 -4.990 16.791 -2.753 1.00 0.00 O ATOM 749 CB LYS A 100 -3.298 15.360 -5.511 1.00 0.00 C ATOM 750 CG LYS A 100 -4.000 14.342 -6.411 1.00 0.00 C ATOM 751 CD LYS A 100 -4.044 14.894 -7.841 1.00 0.00 C ATOM 752 CE LYS A 100 -4.888 16.169 -7.882 1.00 0.00 C ATOM 753 NZ LYS A 100 -4.152 17.225 -8.634 1.00 0.00 N ATOM 0 H LYS A 100 -5.027 13.484 -4.048 1.00 0.00 H new ATOM 0 HA LYS A 100 -2.914 15.491 -3.406 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.518 16.370 -5.858 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.218 15.228 -5.580 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -3.469 13.390 -6.390 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -5.010 14.151 -6.049 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.033 15.105 -8.190 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.464 14.148 -8.515 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.847 15.968 -8.359 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.101 16.510 -6.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -4.724 18.093 -8.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -3.248 17.422 -8.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -3.970 16.897 -9.604 1.00 0.00 H new ATOM 754 N LYS A 101 -5.899 16.177 -4.649 1.00 0.00 N ATOM 755 CA LYS A 101 -7.076 17.059 -4.415 1.00 0.00 C ATOM 756 C LYS A 101 -8.122 16.784 -5.489 1.00 0.00 C ATOM 757 O LYS A 101 -8.958 15.917 -5.334 1.00 0.00 O ATOM 758 CB LYS A 101 -6.639 18.528 -4.468 1.00 0.00 C ATOM 759 CG LYS A 101 -7.868 19.441 -4.466 1.00 0.00 C ATOM 760 CD LYS A 101 -7.967 20.171 -3.122 1.00 0.00 C ATOM 761 CE LYS A 101 -7.197 21.493 -3.197 1.00 0.00 C ATOM 762 NZ LYS A 101 -7.900 22.524 -2.382 1.00 0.00 N ATOM 0 H LYS A 101 -5.920 15.646 -5.520 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.502 16.856 -3.433 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -6.004 18.758 -3.613 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -6.044 18.707 -5.364 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -7.797 20.164 -5.279 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.770 18.854 -4.639 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.012 20.361 -2.876 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -7.560 19.546 -2.327 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -6.180 21.355 -2.830 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -7.120 21.823 -4.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -7.378 23.422 -2.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -8.862 22.662 -2.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -7.951 22.209 -1.392 1.00 0.00 H new ATOM 763 N TYR A 102 -8.072 17.486 -6.591 1.00 0.00 N ATOM 764 CA TYR A 102 -9.056 17.214 -7.674 1.00 0.00 C ATOM 765 C TYR A 102 -9.103 15.702 -7.865 1.00 0.00 C ATOM 766 O TYR A 102 -10.098 15.130 -8.264 1.00 0.00 O ATOM 767 CB TYR A 102 -8.595 17.887 -8.970 1.00 0.00 C ATOM 768 CG TYR A 102 -9.525 17.514 -10.099 1.00 0.00 C ATOM 769 CD1 TYR A 102 -9.540 16.204 -10.598 1.00 0.00 C ATOM 770 CD2 TYR A 102 -10.371 18.483 -10.653 1.00 0.00 C ATOM 771 CE1 TYR A 102 -10.401 15.866 -11.648 1.00 0.00 C ATOM 772 CE2 TYR A 102 -11.232 18.144 -11.702 1.00 0.00 C ATOM 773 CZ TYR A 102 -11.247 16.836 -12.200 1.00 0.00 C ATOM 774 OH TYR A 102 -12.098 16.503 -13.234 1.00 0.00 O ATOM 0 H TYR A 102 -7.399 18.228 -6.785 1.00 0.00 H new ATOM 0 HA TYR A 102 -10.040 17.604 -7.416 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -8.579 18.969 -8.843 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -7.577 17.579 -9.208 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -8.887 15.456 -10.172 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -10.359 19.493 -10.270 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -10.413 14.857 -12.033 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -11.885 18.891 -12.128 1.00 0.00 H new ATOM 0 HH TYR A 102 -12.616 17.292 -13.499 1.00 0.00 H new ATOM 775 N ALA A 103 -8.011 15.060 -7.550 1.00 0.00 N ATOM 776 CA ALA A 103 -7.926 13.587 -7.664 1.00 0.00 C ATOM 777 C ALA A 103 -7.974 12.985 -6.260 1.00 0.00 C ATOM 778 O ALA A 103 -6.953 12.744 -5.649 1.00 0.00 O ATOM 779 CB ALA A 103 -6.594 13.224 -8.298 1.00 0.00 C ATOM 0 H ALA A 103 -7.160 15.509 -7.212 1.00 0.00 H new ATOM 0 HA ALA A 103 -8.750 13.208 -8.269 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -6.517 12.140 -8.388 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -6.527 13.676 -9.287 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.781 13.594 -7.674 1.00 0.00 H new ATOM 780 N PHE A 104 -9.140 12.756 -5.737 1.00 0.00 N ATOM 781 CA PHE A 104 -9.238 12.187 -4.366 1.00 0.00 C ATOM 782 C PHE A 104 -10.608 11.504 -4.196 1.00 0.00 C ATOM 783 O PHE A 104 -11.533 11.772 -4.936 1.00 0.00 O ATOM 784 CB PHE A 104 -9.142 13.332 -3.373 1.00 0.00 C ATOM 785 CG PHE A 104 -8.108 13.034 -2.316 1.00 0.00 C ATOM 786 CD1 PHE A 104 -8.448 12.263 -1.198 1.00 0.00 C ATOM 787 CD2 PHE A 104 -6.808 13.532 -2.454 1.00 0.00 C ATOM 788 CE1 PHE A 104 -7.487 11.988 -0.220 1.00 0.00 C ATOM 789 CE2 PHE A 104 -5.846 13.257 -1.475 1.00 0.00 C ATOM 790 CZ PHE A 104 -6.185 12.484 -0.359 1.00 0.00 C ATOM 0 H PHE A 104 -10.032 12.937 -6.198 1.00 0.00 H new ATOM 0 HA PHE A 104 -8.442 11.461 -4.201 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -8.881 14.252 -3.895 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -10.112 13.496 -2.904 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -9.452 11.881 -1.091 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -6.547 14.128 -3.316 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -7.749 11.393 0.642 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -4.842 13.641 -1.581 1.00 0.00 H new ATOM 0 HZ PHE A 104 -5.442 12.270 0.395 1.00 0.00 H new ATOM 791 N ASP A 105 -10.754 10.650 -3.214 1.00 0.00 N ATOM 792 CA ASP A 105 -12.071 9.983 -2.977 1.00 0.00 C ATOM 793 C ASP A 105 -12.290 8.822 -3.952 1.00 0.00 C ATOM 794 O ASP A 105 -13.412 8.498 -4.286 1.00 0.00 O ATOM 795 CB ASP A 105 -13.198 11.002 -3.150 1.00 0.00 C ATOM 796 CG ASP A 105 -14.231 10.816 -2.038 1.00 0.00 C ATOM 797 OD1 ASP A 105 -14.705 9.704 -1.876 1.00 0.00 O ATOM 798 OD2 ASP A 105 -14.531 11.789 -1.365 1.00 0.00 O ATOM 0 H ASP A 105 -10.014 10.385 -2.564 1.00 0.00 H new ATOM 0 HA ASP A 105 -12.072 9.587 -1.962 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.795 12.014 -3.120 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -13.670 10.875 -4.124 1.00 0.00 H new ATOM 799 N TYR A 106 -11.248 8.180 -4.407 1.00 0.00 N ATOM 800 CA TYR A 106 -11.463 7.036 -5.347 1.00 0.00 C ATOM 801 C TYR A 106 -10.698 5.796 -4.892 1.00 0.00 C ATOM 802 O TYR A 106 -10.263 5.681 -3.763 1.00 0.00 O ATOM 803 CB TYR A 106 -10.987 7.388 -6.756 1.00 0.00 C ATOM 804 CG TYR A 106 -11.126 8.861 -7.005 1.00 0.00 C ATOM 805 CD1 TYR A 106 -12.391 9.456 -7.028 1.00 0.00 C ATOM 806 CD2 TYR A 106 -9.984 9.630 -7.226 1.00 0.00 C ATOM 807 CE1 TYR A 106 -12.511 10.829 -7.271 1.00 0.00 C ATOM 808 CE2 TYR A 106 -10.099 10.996 -7.472 1.00 0.00 C ATOM 809 CZ TYR A 106 -11.364 11.601 -7.495 1.00 0.00 C ATOM 810 OH TYR A 106 -11.479 12.955 -7.738 1.00 0.00 O ATOM 0 H TYR A 106 -10.277 8.389 -4.177 1.00 0.00 H new ATOM 0 HA TYR A 106 -12.534 6.832 -5.352 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -9.946 7.089 -6.880 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -11.568 6.832 -7.492 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -13.274 8.857 -6.859 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.009 9.166 -7.206 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -13.486 11.292 -7.286 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -9.214 11.590 -7.645 1.00 0.00 H new ATOM 0 HH TYR A 106 -10.742 13.248 -8.314 1.00 0.00 H new ATOM 811 N TRP A 107 -10.550 4.870 -5.797 1.00 0.00 N ATOM 812 CA TRP A 107 -9.832 3.593 -5.511 1.00 0.00 C ATOM 813 C TRP A 107 -10.483 2.882 -4.324 1.00 0.00 C ATOM 814 O TRP A 107 -10.724 3.469 -3.288 1.00 0.00 O ATOM 815 CB TRP A 107 -8.363 3.849 -5.202 1.00 0.00 C ATOM 816 CG TRP A 107 -7.863 5.015 -5.992 1.00 0.00 C ATOM 817 CD1 TRP A 107 -8.024 6.292 -5.628 1.00 0.00 C ATOM 818 CD2 TRP A 107 -7.142 5.041 -7.260 1.00 0.00 C ATOM 819 NE1 TRP A 107 -7.407 7.119 -6.545 1.00 0.00 N ATOM 820 CE2 TRP A 107 -6.856 6.390 -7.587 1.00 0.00 C ATOM 821 CE3 TRP A 107 -6.701 4.038 -8.142 1.00 0.00 C ATOM 822 CZ2 TRP A 107 -6.155 6.719 -8.755 1.00 0.00 C ATOM 823 CZ3 TRP A 107 -6.004 4.372 -9.312 1.00 0.00 C ATOM 824 CH2 TRP A 107 -5.730 5.707 -9.619 1.00 0.00 C ATOM 0 H TRP A 107 -10.906 4.946 -6.750 1.00 0.00 H new ATOM 0 HA TRP A 107 -9.897 2.963 -6.398 1.00 0.00 H new ATOM 0 HB2 TRP A 107 -8.237 4.042 -4.137 1.00 0.00 H new ATOM 0 HB3 TRP A 107 -7.775 2.962 -5.438 1.00 0.00 H new ATOM 0 HD1 TRP A 107 -8.556 6.626 -4.749 1.00 0.00 H new ATOM 0 HE1 TRP A 107 -7.362 8.135 -6.466 1.00 0.00 H new ATOM 0 HE3 TRP A 107 -6.901 3.001 -7.916 1.00 0.00 H new ATOM 0 HZ2 TRP A 107 -5.944 7.753 -8.987 1.00 0.00 H new ATOM 0 HZ3 TRP A 107 -5.676 3.591 -9.981 1.00 0.00 H new ATOM 0 HH2 TRP A 107 -5.191 5.956 -10.521 1.00 0.00 H new ATOM 825 N GLY A 108 -10.768 1.616 -4.463 1.00 0.00 N ATOM 826 CA GLY A 108 -11.400 0.873 -3.339 1.00 0.00 C ATOM 827 C GLY A 108 -11.926 -0.474 -3.836 1.00 0.00 C ATOM 828 O GLY A 108 -13.095 -0.780 -3.708 1.00 0.00 O ATOM 0 H GLY A 108 -10.591 1.067 -5.304 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -10.674 0.718 -2.541 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -12.217 1.459 -2.918 1.00 0.00 H new ATOM 829 N GLN A 109 -11.071 -1.287 -4.393 1.00 0.00 N ATOM 830 CA GLN A 109 -11.522 -2.618 -4.888 1.00 0.00 C ATOM 831 C GLN A 109 -10.676 -3.712 -4.236 1.00 0.00 C ATOM 832 O GLN A 109 -11.186 -4.723 -3.795 1.00 0.00 O ATOM 833 CB GLN A 109 -11.364 -2.684 -6.407 1.00 0.00 C ATOM 834 CG GLN A 109 -12.004 -3.972 -6.931 1.00 0.00 C ATOM 835 CD GLN A 109 -13.484 -3.721 -7.232 1.00 0.00 C ATOM 836 OE1 GLN A 109 -14.096 -2.722 -6.656 1.00 0.00 O flip ATOM 837 NE2 GLN A 109 -14.090 -4.443 -7.999 1.00 0.00 N flip ATOM 0 H GLN A 109 -10.080 -1.087 -4.527 1.00 0.00 H new ATOM 0 HA GLN A 109 -12.571 -2.765 -4.631 1.00 0.00 H new ATOM 0 HB2 GLN A 109 -11.835 -1.817 -6.870 1.00 0.00 H new ATOM 0 HB3 GLN A 109 -10.308 -2.655 -6.675 1.00 0.00 H new ATOM 0 HG2 GLN A 109 -11.490 -4.305 -7.833 1.00 0.00 H new ATOM 0 HG3 GLN A 109 -11.902 -4.768 -6.193 1.00 0.00 H new ATOM 0 HE21 GLN A 109 -13.612 -5.224 -8.449 1.00 0.00 H new ATOM 0 HE22 GLN A 109 -15.076 -4.268 -8.192 1.00 0.00 H new ATOM 838 N GLY A 110 -9.388 -3.517 -4.163 1.00 0.00 N ATOM 839 CA GLY A 110 -8.518 -4.546 -3.530 1.00 0.00 C ATOM 840 C GLY A 110 -7.779 -5.339 -4.602 1.00 0.00 C ATOM 841 O GLY A 110 -8.287 -5.566 -5.683 1.00 0.00 O ATOM 0 H GLY A 110 -8.902 -2.692 -4.514 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -7.802 -4.067 -2.862 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -9.121 -5.219 -2.920 1.00 0.00 H new ATOM 842 N THR A 111 -6.586 -5.778 -4.308 1.00 0.00 N ATOM 843 CA THR A 111 -5.824 -6.569 -5.306 1.00 0.00 C ATOM 844 C THR A 111 -4.767 -7.415 -4.587 1.00 0.00 C ATOM 845 O THR A 111 -3.630 -7.049 -4.405 1.00 0.00 O ATOM 846 CB THR A 111 -5.180 -5.639 -6.331 1.00 0.00 C ATOM 847 OG1 THR A 111 -4.910 -6.364 -7.523 1.00 0.00 O ATOM 848 CG2 THR A 111 -3.885 -5.078 -5.770 1.00 0.00 C ATOM 0 H THR A 111 -6.109 -5.622 -3.420 1.00 0.00 H new ATOM 0 HA THR A 111 -6.501 -7.237 -5.838 1.00 0.00 H new ATOM 0 HB THR A 111 -5.861 -4.817 -6.552 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.569 -6.125 -8.208 1.00 0.00 H new ATOM 0 HG21 THR A 111 -3.428 -4.415 -6.504 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.095 -4.520 -4.858 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.201 -5.896 -5.545 1.00 0.00 H new ATOM 849 N LEU A 112 -5.151 -8.555 -4.183 1.00 0.00 N ATOM 850 CA LEU A 112 -4.216 -9.466 -3.491 1.00 0.00 C ATOM 851 C LEU A 112 -2.831 -9.475 -4.150 1.00 0.00 C ATOM 852 O LEU A 112 -2.596 -8.919 -5.205 1.00 0.00 O ATOM 853 CB LEU A 112 -4.768 -10.838 -3.692 1.00 0.00 C ATOM 854 CG LEU A 112 -4.862 -11.010 -5.199 1.00 0.00 C ATOM 855 CD1 LEU A 112 -3.736 -11.930 -5.659 1.00 0.00 C ATOM 856 CD2 LEU A 112 -6.230 -11.582 -5.535 1.00 0.00 C ATOM 0 H LEU A 112 -6.097 -8.919 -4.299 1.00 0.00 H new ATOM 0 HA LEU A 112 -4.116 -9.155 -2.451 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -4.119 -11.593 -3.249 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -5.746 -10.942 -3.222 1.00 0.00 H new ATOM 0 HG LEU A 112 -4.752 -10.056 -5.715 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.792 -12.062 -6.740 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -2.775 -11.488 -5.397 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -3.835 -12.899 -5.170 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.315 -11.712 -6.614 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.352 -12.547 -5.042 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.005 -10.898 -5.190 1.00 0.00 H new ATOM 857 N VAL A 113 -1.953 -10.192 -3.532 1.00 0.00 N ATOM 858 CA VAL A 113 -0.576 -10.396 -4.043 1.00 0.00 C ATOM 859 C VAL A 113 -0.012 -11.568 -3.243 1.00 0.00 C ATOM 860 O VAL A 113 0.073 -11.513 -2.039 1.00 0.00 O ATOM 861 CB VAL A 113 0.245 -9.125 -3.853 1.00 0.00 C ATOM 862 CG1 VAL A 113 1.741 -9.457 -3.835 1.00 0.00 C ATOM 863 CG2 VAL A 113 -0.060 -8.197 -5.027 1.00 0.00 C ATOM 0 H VAL A 113 -2.140 -10.669 -2.650 1.00 0.00 H new ATOM 0 HA VAL A 113 -0.554 -10.615 -5.111 1.00 0.00 H new ATOM 0 HB VAL A 113 -0.011 -8.650 -2.906 1.00 0.00 H new ATOM 0 HG11 VAL A 113 2.315 -8.541 -3.699 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.952 -10.143 -3.014 1.00 0.00 H new ATOM 0 HG13 VAL A 113 2.021 -9.924 -4.779 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.513 -7.276 -4.921 1.00 0.00 H new ATOM 0 HG22 VAL A 113 0.213 -8.689 -5.960 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -1.124 -7.963 -5.039 1.00 0.00 H new ATOM 864 N THR A 114 0.318 -12.653 -3.885 1.00 0.00 N ATOM 865 CA THR A 114 0.799 -13.832 -3.118 1.00 0.00 C ATOM 866 C THR A 114 2.316 -13.877 -3.099 1.00 0.00 C ATOM 867 O THR A 114 2.970 -13.264 -3.910 1.00 0.00 O ATOM 868 CB THR A 114 0.260 -15.107 -3.773 1.00 0.00 C ATOM 869 OG1 THR A 114 -1.121 -14.941 -4.061 1.00 0.00 O ATOM 870 CG2 THR A 114 0.446 -16.293 -2.823 1.00 0.00 C ATOM 0 H THR A 114 0.276 -12.773 -4.897 1.00 0.00 H new ATOM 0 HA THR A 114 0.442 -13.756 -2.091 1.00 0.00 H new ATOM 0 HB THR A 114 0.805 -15.298 -4.697 1.00 0.00 H new ATOM 0 HG1 THR A 114 -1.468 -15.755 -4.482 1.00 0.00 H new ATOM 0 HG21 THR A 114 0.061 -17.199 -3.292 1.00 0.00 H new ATOM 0 HG22 THR A 114 1.506 -16.420 -2.603 1.00 0.00 H new ATOM 0 HG23 THR A 114 -0.097 -16.106 -1.897 1.00 0.00 H new ATOM 871 N VAL A 115 2.869 -14.612 -2.176 1.00 0.00 N ATOM 872 CA VAL A 115 4.347 -14.729 -2.092 1.00 0.00 C ATOM 873 C VAL A 115 4.736 -16.159 -2.477 1.00 0.00 C ATOM 874 O VAL A 115 4.819 -17.038 -1.641 1.00 0.00 O ATOM 875 CB VAL A 115 4.815 -14.433 -0.666 1.00 0.00 C ATOM 876 CG1 VAL A 115 6.189 -13.765 -0.715 1.00 0.00 C ATOM 877 CG2 VAL A 115 3.822 -13.493 0.024 1.00 0.00 C ATOM 0 H VAL A 115 2.354 -15.140 -1.471 1.00 0.00 H new ATOM 0 HA VAL A 115 4.818 -14.014 -2.767 1.00 0.00 H new ATOM 0 HB VAL A 115 4.875 -15.367 -0.107 1.00 0.00 H new ATOM 0 HG11 VAL A 115 6.526 -13.552 0.299 1.00 0.00 H new ATOM 0 HG12 VAL A 115 6.901 -14.432 -1.202 1.00 0.00 H new ATOM 0 HG13 VAL A 115 6.121 -12.834 -1.278 1.00 0.00 H new ATOM 0 HG21 VAL A 115 4.162 -13.287 1.039 1.00 0.00 H new ATOM 0 HG22 VAL A 115 3.757 -12.559 -0.534 1.00 0.00 H new ATOM 0 HG23 VAL A 115 2.839 -13.964 0.059 1.00 0.00 H new