USER MOD reduce.3.24.130724 H: found=0, std=0, add=898, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 891 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 111 HIS : no HD1:sc= -0.0728 X(o=-0.076,f=-0.0033) USER MOD Set 1.2: A 115 HIS : no HD1:sc=-0.00334 X(o=-0.076,f=-0.073) USER MOD Set 2.1: A 90 SER OG : rot -112:sc= 0.699 USER MOD Set 2.2: A 93 THR OG1 : rot -171:sc= 0.697 USER MOD Set 3.1: A 34 GLN : amide:sc= 0.548 K(o=1,f=-0.38) USER MOD Set 3.2: A 68 THR OG1 : rot -120:sc= 0.495 USER MOD Set 4.1: A 45 LYS NZ :NH3+ 168:sc= 2.19 (180deg=1.31) USER MOD Set 4.2: A 50 GLN : amide:sc= 0.922 K(o=3.1,f=-3.4) USER MOD Set 5.1: A 42 ASN : amide:sc= 1.03 K(o=1.9,f=-0.28) USER MOD Set 5.2: A 55 GLN : amide:sc= 0.887 K(o=1.9,f=-0.54) USER MOD Set 6.1: A 36 GLN : amide:sc= 0.65 K(o=0.65,f=-0.11) USER MOD Set 6.2: A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 7.1: A 28 THR OG1 : rot 180:sc= 0.523 USER MOD Set 7.2: A 71 LYS NZ :NH3+ 136:sc= 1.7 (180deg=-0.103) USER MOD Set 8.1: A 22 LYS NZ :NH3+ 177:sc= 0.99 (180deg=0) USER MOD Set 8.2: A 77 THR OG1 : rot 80:sc= 0.852 USER MOD Single : A 1 ASP N :NH3+ -144:sc= 0.343 (180deg=0.0584) USER MOD Single : A 5 LYS NZ :NH3+ 151:sc= 2.32 (180deg=1.23) USER MOD Single : A 7 GLN : amide:sc= 1.05 K(o=1,f=-0.085) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0.399 K(o=0.4,f=-4.2!) USER MOD Single : A 15 LYS NZ :NH3+ 176:sc= 0.766 (180deg=0.755) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -144:sc= 1.24 (180deg=0.185) USER MOD Single : A 25 LYS NZ :NH3+ 170:sc= 1.18 (180deg=1.08) USER MOD Single : A 27 GLN : amide:sc= -0.155 K(o=-0.16,f=-4.9!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0.006 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 ASN : amide:sc= 1 K(o=1,f=-0.0051) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot -130:sc= 0.235 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 ASN : amide:sc= 0.997 K(o=1,f=-2.7!) USER MOD Single : A 103 ASN : amide:sc= -0.0588 X(o=-0.059,f=-0.45) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 112 HIS : no HD1:sc= 0.0503 K(o=0.05,f=-1.5) USER MOD Single : A 113 HIS : no HD1:sc= -0.178 K(o=-0.18,f=-1.2) USER MOD Single : A 114 HIS : no HD1:sc= -0.257 K(o=-0.26,f=-1.6) USER MOD Single : A 116 HIS : no HD1:sc= -0.046 X(o=-0.046,f=-0.046) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 1.359 -3.695 3.026 1.00 0.00 N ATOM 2 CA ASP A 1 1.134 -4.173 1.634 1.00 0.00 C ATOM 3 C ASP A 1 2.403 -4.817 1.065 1.00 0.00 C ATOM 4 O ASP A 1 3.505 -4.572 1.555 1.00 0.00 O ATOM 5 CB ASP A 1 0.643 -3.037 0.713 1.00 0.00 C ATOM 6 CG ASP A 1 1.706 -1.939 0.516 1.00 0.00 C ATOM 7 OD1 ASP A 1 2.101 -1.315 1.532 1.00 0.00 O ATOM 8 OD2 ASP A 1 2.137 -1.705 -0.633 1.00 0.00 O ATOM 0 H1 ASP A 1 0.494 -3.836 3.586 1.00 0.00 H new ATOM 0 H2 ASP A 1 2.140 -4.231 3.455 1.00 0.00 H new ATOM 0 H3 ASP A 1 1.600 -2.683 3.011 1.00 0.00 H new ATOM 0 HA ASP A 1 0.350 -4.929 1.674 1.00 0.00 H new ATOM 0 HB2 ASP A 1 0.369 -3.452 -0.257 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -0.259 -2.594 1.136 1.00 0.00 H new ATOM 15 N VAL A 2 2.247 -5.635 0.021 1.00 0.00 N ATOM 16 CA VAL A 2 3.339 -6.302 -0.719 1.00 0.00 C ATOM 17 C VAL A 2 3.059 -6.299 -2.208 1.00 0.00 C ATOM 18 O VAL A 2 1.945 -6.605 -2.610 1.00 0.00 O ATOM 19 CB VAL A 2 3.459 -7.787 -0.357 1.00 0.00 C ATOM 20 CG1 VAL A 2 4.703 -8.476 -0.945 1.00 0.00 C ATOM 21 CG2 VAL A 2 3.520 -8.071 1.121 1.00 0.00 C ATOM 0 H VAL A 2 1.326 -5.864 -0.352 1.00 0.00 H new ATOM 0 HA VAL A 2 4.242 -5.751 -0.456 1.00 0.00 H new ATOM 0 HB VAL A 2 2.540 -8.183 -0.790 1.00 0.00 H new ATOM 0 HG11 VAL A 2 4.715 -9.523 -0.644 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.675 -8.412 -2.033 1.00 0.00 H new ATOM 0 HG13 VAL A 2 5.601 -7.982 -0.576 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.604 -9.146 1.282 1.00 0.00 H new ATOM 0 HG22 VAL A 2 4.387 -7.571 1.552 1.00 0.00 H new ATOM 0 HG23 VAL A 2 2.613 -7.702 1.600 1.00 0.00 H new ATOM 31 N ILE A 3 4.075 -6.045 -3.028 1.00 0.00 N ATOM 32 CA ILE A 3 4.040 -6.333 -4.466 1.00 0.00 C ATOM 33 C ILE A 3 4.744 -7.696 -4.549 1.00 0.00 C ATOM 34 O ILE A 3 5.969 -7.757 -4.442 1.00 0.00 O ATOM 35 CB ILE A 3 4.732 -5.218 -5.290 1.00 0.00 C ATOM 36 CG1 ILE A 3 3.923 -3.900 -5.362 1.00 0.00 C ATOM 37 CG2 ILE A 3 4.926 -5.690 -6.740 1.00 0.00 C ATOM 38 CD1 ILE A 3 3.664 -3.178 -4.030 1.00 0.00 C ATOM 0 H ILE A 3 4.953 -5.631 -2.715 1.00 0.00 H new ATOM 0 HA ILE A 3 3.037 -6.364 -4.892 1.00 0.00 H new ATOM 0 HB ILE A 3 5.674 -5.022 -4.778 1.00 0.00 H new ATOM 0 HG12 ILE A 3 4.449 -3.213 -6.025 1.00 0.00 H new ATOM 0 HG13 ILE A 3 2.960 -4.116 -5.825 1.00 0.00 H new ATOM 0 HG21 ILE A 3 5.413 -4.903 -7.317 1.00 0.00 H new ATOM 0 HG22 ILE A 3 5.547 -6.586 -6.751 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.956 -5.916 -7.182 1.00 0.00 H new ATOM 0 HD11 ILE A 3 3.089 -2.270 -4.214 1.00 0.00 H new ATOM 0 HD12 ILE A 3 3.104 -3.834 -3.364 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.615 -2.917 -3.567 1.00 0.00 H new ATOM 50 N ILE A 4 3.974 -8.793 -4.540 1.00 0.00 N ATOM 51 CA ILE A 4 4.459 -10.170 -4.392 1.00 0.00 C ATOM 52 C ILE A 4 5.478 -10.517 -5.501 1.00 0.00 C ATOM 53 O ILE A 4 5.337 -10.065 -6.647 1.00 0.00 O ATOM 54 CB ILE A 4 3.242 -11.121 -4.444 1.00 0.00 C ATOM 55 CG1 ILE A 4 3.213 -12.221 -3.381 1.00 0.00 C ATOM 56 CG2 ILE A 4 3.028 -11.791 -5.793 1.00 0.00 C ATOM 57 CD1 ILE A 4 4.452 -13.119 -3.288 1.00 0.00 C ATOM 0 H ILE A 4 2.960 -8.743 -4.639 1.00 0.00 H new ATOM 0 HA ILE A 4 4.973 -10.280 -3.437 1.00 0.00 H new ATOM 0 HB ILE A 4 2.433 -10.420 -4.240 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.059 -11.752 -2.409 1.00 0.00 H new ATOM 0 HG13 ILE A 4 2.346 -12.855 -3.570 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.154 -12.441 -5.742 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.870 -11.029 -6.557 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.906 -12.384 -6.048 1.00 0.00 H new ATOM 0 HD11 ILE A 4 4.308 -13.857 -2.499 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.603 -13.630 -4.239 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.327 -12.510 -3.060 1.00 0.00 H new ATOM 69 N LYS A 5 6.470 -11.368 -5.208 1.00 0.00 N ATOM 70 CA LYS A 5 7.546 -11.740 -6.151 1.00 0.00 C ATOM 71 C LYS A 5 8.010 -13.194 -6.042 1.00 0.00 C ATOM 72 O LYS A 5 7.848 -13.809 -4.981 1.00 0.00 O ATOM 73 CB LYS A 5 8.713 -10.783 -5.951 1.00 0.00 C ATOM 74 CG LYS A 5 8.291 -9.403 -6.451 1.00 0.00 C ATOM 75 CD LYS A 5 9.443 -8.481 -6.772 1.00 0.00 C ATOM 76 CE LYS A 5 8.803 -7.102 -6.898 1.00 0.00 C ATOM 77 NZ LYS A 5 9.785 -6.016 -7.112 1.00 0.00 N ATOM 0 H LYS A 5 6.554 -11.826 -4.300 1.00 0.00 H new ATOM 0 HA LYS A 5 7.136 -11.656 -7.158 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.990 -10.737 -4.898 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.589 -11.133 -6.497 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.678 -9.525 -7.344 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.663 -8.932 -5.695 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.197 -8.499 -5.985 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.940 -8.774 -7.697 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.097 -7.112 -7.728 1.00 0.00 H new ATOM 0 HE3 LYS A 5 8.230 -6.891 -5.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.341 -5.249 -7.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.103 -5.649 -6.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.602 -6.386 -7.639 1.00 0.00 H new ATOM 91 N PRO A 6 8.569 -13.745 -7.135 1.00 0.00 N ATOM 92 CA PRO A 6 8.939 -15.153 -7.210 1.00 0.00 C ATOM 93 C PRO A 6 10.285 -15.430 -6.530 1.00 0.00 C ATOM 94 O PRO A 6 11.220 -14.637 -6.618 1.00 0.00 O ATOM 95 CB PRO A 6 8.983 -15.448 -8.711 1.00 0.00 C ATOM 96 CG PRO A 6 9.380 -14.128 -9.364 1.00 0.00 C ATOM 97 CD PRO A 6 8.775 -13.089 -8.431 1.00 0.00 C ATOM 0 HA PRO A 6 8.232 -15.795 -6.684 1.00 0.00 H new ATOM 0 HB2 PRO A 6 9.705 -16.233 -8.938 1.00 0.00 H new ATOM 0 HB3 PRO A 6 8.014 -15.792 -9.074 1.00 0.00 H new ATOM 0 HG2 PRO A 6 10.463 -14.023 -9.437 1.00 0.00 H new ATOM 0 HG3 PRO A 6 8.983 -14.042 -10.375 1.00 0.00 H new ATOM 0 HD2 PRO A 6 9.439 -12.231 -8.328 1.00 0.00 H new ATOM 0 HD3 PRO A 6 7.831 -12.716 -8.829 1.00 0.00 H new ATOM 105 N GLN A 7 10.405 -16.588 -5.874 1.00 0.00 N ATOM 106 CA GLN A 7 11.636 -16.992 -5.171 1.00 0.00 C ATOM 107 C GLN A 7 12.783 -17.461 -6.099 1.00 0.00 C ATOM 108 O GLN A 7 13.926 -17.590 -5.646 1.00 0.00 O ATOM 109 CB GLN A 7 11.306 -18.015 -4.073 1.00 0.00 C ATOM 110 CG GLN A 7 10.751 -19.354 -4.588 1.00 0.00 C ATOM 111 CD GLN A 7 10.545 -20.363 -3.454 1.00 0.00 C ATOM 112 OE1 GLN A 7 11.423 -20.604 -2.634 1.00 0.00 O ATOM 113 NE2 GLN A 7 9.398 -20.994 -3.346 1.00 0.00 N ATOM 0 H GLN A 7 9.654 -17.275 -5.813 1.00 0.00 H new ATOM 0 HA GLN A 7 12.036 -16.093 -4.703 1.00 0.00 H new ATOM 0 HB2 GLN A 7 12.209 -18.210 -3.494 1.00 0.00 H new ATOM 0 HB3 GLN A 7 10.579 -17.574 -3.391 1.00 0.00 H new ATOM 0 HG2 GLN A 7 9.803 -19.182 -5.097 1.00 0.00 H new ATOM 0 HG3 GLN A 7 11.437 -19.772 -5.325 1.00 0.00 H new ATOM 0 HE21 GLN A 7 8.651 -20.812 -4.016 1.00 0.00 H new ATOM 0 HE22 GLN A 7 9.255 -21.666 -2.592 1.00 0.00 H new ATOM 122 N VAL A 8 12.506 -17.682 -7.390 1.00 0.00 N ATOM 123 CA VAL A 8 13.488 -17.998 -8.458 1.00 0.00 C ATOM 124 C VAL A 8 13.073 -17.322 -9.772 1.00 0.00 C ATOM 125 O VAL A 8 11.899 -17.004 -9.973 1.00 0.00 O ATOM 126 CB VAL A 8 13.636 -19.523 -8.703 1.00 0.00 C ATOM 127 CG1 VAL A 8 14.149 -20.263 -7.457 1.00 0.00 C ATOM 128 CG2 VAL A 8 12.345 -20.205 -9.180 1.00 0.00 C ATOM 0 H VAL A 8 11.550 -17.646 -7.744 1.00 0.00 H new ATOM 0 HA VAL A 8 14.452 -17.618 -8.118 1.00 0.00 H new ATOM 0 HB VAL A 8 14.370 -19.593 -9.505 1.00 0.00 H new ATOM 0 HG11 VAL A 8 14.237 -21.327 -7.676 1.00 0.00 H new ATOM 0 HG12 VAL A 8 15.126 -19.869 -7.176 1.00 0.00 H new ATOM 0 HG13 VAL A 8 13.449 -20.119 -6.634 1.00 0.00 H new ATOM 0 HG21 VAL A 8 12.529 -21.269 -9.329 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.565 -20.073 -8.430 1.00 0.00 H new ATOM 0 HG23 VAL A 8 12.023 -19.757 -10.120 1.00 0.00 H new ATOM 138 N SER A 9 14.017 -17.113 -10.694 1.00 0.00 N ATOM 139 CA SER A 9 13.707 -16.700 -12.070 1.00 0.00 C ATOM 140 C SER A 9 13.273 -17.907 -12.928 1.00 0.00 C ATOM 141 O SER A 9 13.613 -19.057 -12.624 1.00 0.00 O ATOM 142 CB SER A 9 14.909 -15.975 -12.685 1.00 0.00 C ATOM 143 OG SER A 9 16.029 -16.837 -12.816 1.00 0.00 O ATOM 0 H SER A 9 15.014 -17.224 -10.511 1.00 0.00 H new ATOM 0 HA SER A 9 12.867 -16.006 -12.045 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.635 -15.582 -13.664 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.177 -15.121 -12.062 1.00 0.00 H new ATOM 0 HG SER A 9 16.777 -16.344 -13.213 1.00 0.00 H new ATOM 149 N GLY A 10 12.492 -17.675 -13.988 1.00 0.00 N ATOM 150 CA GLY A 10 11.866 -18.726 -14.793 1.00 0.00 C ATOM 151 C GLY A 10 10.636 -18.189 -15.502 1.00 0.00 C ATOM 152 O GLY A 10 10.554 -16.986 -15.732 1.00 0.00 O ATOM 0 H GLY A 10 12.274 -16.734 -14.316 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.579 -19.105 -15.525 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.588 -19.565 -14.155 1.00 0.00 H new ATOM 156 N VAL A 11 9.662 -19.034 -15.840 1.00 0.00 N ATOM 157 CA VAL A 11 8.438 -18.628 -16.488 1.00 0.00 C ATOM 158 C VAL A 11 7.192 -19.182 -15.818 1.00 0.00 C ATOM 159 O VAL A 11 7.221 -20.319 -15.364 1.00 0.00 O ATOM 160 CB VAL A 11 8.456 -19.074 -17.948 1.00 0.00 C ATOM 161 CG1 VAL A 11 9.739 -18.767 -18.726 1.00 0.00 C ATOM 162 CG2 VAL A 11 7.973 -20.476 -18.294 1.00 0.00 C ATOM 0 H VAL A 11 9.713 -20.037 -15.663 1.00 0.00 H new ATOM 0 HA VAL A 11 8.392 -17.542 -16.411 1.00 0.00 H new ATOM 0 HB VAL A 11 7.665 -18.408 -18.292 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.639 -19.128 -19.750 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.910 -17.691 -18.736 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.583 -19.264 -18.247 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.051 -20.633 -19.370 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.588 -21.211 -17.775 1.00 0.00 H new ATOM 0 HG23 VAL A 11 6.934 -20.589 -17.985 1.00 0.00 H new ATOM 172 N ILE A 12 6.085 -18.441 -15.789 1.00 0.00 N ATOM 173 CA ILE A 12 4.839 -18.904 -15.149 1.00 0.00 C ATOM 174 C ILE A 12 4.275 -20.165 -15.845 1.00 0.00 C ATOM 175 O ILE A 12 4.314 -20.288 -17.073 1.00 0.00 O ATOM 176 CB ILE A 12 3.763 -17.801 -15.160 1.00 0.00 C ATOM 177 CG1 ILE A 12 4.260 -16.400 -14.742 1.00 0.00 C ATOM 178 CG2 ILE A 12 2.537 -18.173 -14.312 1.00 0.00 C ATOM 179 CD1 ILE A 12 4.987 -16.304 -13.398 1.00 0.00 C ATOM 0 H ILE A 12 6.019 -17.511 -16.202 1.00 0.00 H new ATOM 0 HA ILE A 12 5.092 -19.152 -14.118 1.00 0.00 H new ATOM 0 HB ILE A 12 3.482 -17.737 -16.211 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.929 -16.030 -15.519 1.00 0.00 H new ATOM 0 HG13 ILE A 12 3.402 -15.728 -14.714 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.808 -17.364 -14.352 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.088 -19.086 -14.703 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.844 -18.334 -13.279 1.00 0.00 H new ATOM 0 HD11 ILE A 12 5.286 -15.271 -13.219 1.00 0.00 H new ATOM 0 HD12 ILE A 12 4.321 -16.633 -12.600 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.872 -16.939 -13.417 1.00 0.00 H new ATOM 191 N VAL A 13 3.680 -21.075 -15.068 1.00 0.00 N ATOM 192 CA VAL A 13 3.089 -22.359 -15.512 1.00 0.00 C ATOM 193 C VAL A 13 1.629 -22.497 -15.078 1.00 0.00 C ATOM 194 O VAL A 13 0.808 -23.019 -15.830 1.00 0.00 O ATOM 195 CB VAL A 13 3.891 -23.545 -14.932 1.00 0.00 C ATOM 196 CG1 VAL A 13 3.381 -24.909 -15.417 1.00 0.00 C ATOM 197 CG2 VAL A 13 5.372 -23.461 -15.309 1.00 0.00 C ATOM 0 H VAL A 13 3.588 -20.938 -14.061 1.00 0.00 H new ATOM 0 HA VAL A 13 3.131 -22.369 -16.601 1.00 0.00 H new ATOM 0 HB VAL A 13 3.757 -23.469 -13.853 1.00 0.00 H new ATOM 0 HG11 VAL A 13 3.985 -25.701 -14.975 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.341 -25.036 -15.118 1.00 0.00 H new ATOM 0 HG13 VAL A 13 3.455 -24.960 -16.503 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.905 -24.312 -14.884 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.473 -23.476 -16.394 1.00 0.00 H new ATOM 0 HG23 VAL A 13 5.795 -22.536 -14.918 1.00 0.00 H new ATOM 207 N ASN A 14 1.280 -21.988 -13.893 1.00 0.00 N ATOM 208 CA ASN A 14 -0.094 -21.985 -13.373 1.00 0.00 C ATOM 209 C ASN A 14 -0.359 -20.742 -12.507 1.00 0.00 C ATOM 210 O ASN A 14 0.565 -20.138 -11.953 1.00 0.00 O ATOM 211 CB ASN A 14 -0.344 -23.274 -12.561 1.00 0.00 C ATOM 212 CG ASN A 14 -1.808 -23.681 -12.451 1.00 0.00 C ATOM 213 OD1 ASN A 14 -2.717 -23.004 -12.910 1.00 0.00 O ATOM 214 ND2 ASN A 14 -2.087 -24.795 -11.820 1.00 0.00 N ATOM 0 H ASN A 14 1.953 -21.560 -13.257 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.784 -21.952 -14.216 1.00 0.00 H new ATOM 0 HB2 ASN A 14 0.213 -24.091 -13.020 1.00 0.00 H new ATOM 0 HB3 ASN A 14 0.058 -23.139 -11.557 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -3.057 -25.092 -11.714 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -1.334 -25.365 -11.434 1.00 0.00 H new ATOM 221 N LYS A 15 -1.647 -20.429 -12.361 1.00 0.00 N ATOM 222 CA LYS A 15 -2.236 -19.313 -11.634 1.00 0.00 C ATOM 223 C LYS A 15 -3.249 -19.869 -10.635 1.00 0.00 C ATOM 224 O LYS A 15 -4.398 -20.148 -10.977 1.00 0.00 O ATOM 225 CB LYS A 15 -2.925 -18.364 -12.638 1.00 0.00 C ATOM 226 CG LYS A 15 -1.970 -17.707 -13.646 1.00 0.00 C ATOM 227 CD LYS A 15 -1.280 -16.441 -13.139 1.00 0.00 C ATOM 228 CE LYS A 15 -2.233 -15.241 -13.050 1.00 0.00 C ATOM 229 NZ LYS A 15 -2.756 -14.799 -14.369 1.00 0.00 N ATOM 0 H LYS A 15 -2.369 -21.007 -12.791 1.00 0.00 H new ATOM 0 HA LYS A 15 -1.471 -18.753 -11.096 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.684 -18.923 -13.186 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.443 -17.582 -12.083 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -1.207 -18.432 -13.929 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.529 -17.463 -14.550 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -0.853 -16.634 -12.155 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.452 -16.193 -13.803 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.072 -15.501 -12.404 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.712 -14.408 -12.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.444 -14.031 -14.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.970 -14.457 -14.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -3.221 -15.599 -14.844 1.00 0.00 H new ATOM 243 N LEU A 16 -2.791 -20.092 -9.409 1.00 0.00 N ATOM 244 CA LEU A 16 -3.594 -20.698 -8.351 1.00 0.00 C ATOM 245 C LEU A 16 -4.659 -19.744 -7.796 1.00 0.00 C ATOM 246 O LEU A 16 -5.778 -20.152 -7.475 1.00 0.00 O ATOM 247 CB LEU A 16 -2.659 -21.114 -7.224 1.00 0.00 C ATOM 248 CG LEU A 16 -1.829 -22.380 -7.492 1.00 0.00 C ATOM 249 CD1 LEU A 16 -2.519 -23.468 -8.304 1.00 0.00 C ATOM 250 CD2 LEU A 16 -0.498 -22.086 -8.167 1.00 0.00 C ATOM 0 H LEU A 16 -1.843 -19.855 -9.117 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.120 -21.554 -8.774 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.977 -20.289 -7.017 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.251 -21.272 -6.323 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.681 -22.761 -6.481 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.841 -24.312 -8.431 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.416 -23.799 -7.781 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.794 -23.073 -9.282 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.041 -23.019 -8.330 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.676 -21.598 -9.125 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.096 -21.430 -7.531 1.00 0.00 H new ATOM 262 N PHE A 17 -4.269 -18.479 -7.646 1.00 0.00 N ATOM 263 CA PHE A 17 -5.103 -17.409 -7.094 1.00 0.00 C ATOM 264 C PHE A 17 -6.080 -16.813 -8.130 1.00 0.00 C ATOM 265 O PHE A 17 -6.111 -17.226 -9.292 1.00 0.00 O ATOM 266 CB PHE A 17 -4.186 -16.336 -6.469 1.00 0.00 C ATOM 267 CG PHE A 17 -3.737 -15.206 -7.382 1.00 0.00 C ATOM 268 CD1 PHE A 17 -2.754 -15.395 -8.369 1.00 0.00 C ATOM 269 CD2 PHE A 17 -4.346 -13.947 -7.249 1.00 0.00 C ATOM 270 CE1 PHE A 17 -2.437 -14.345 -9.249 1.00 0.00 C ATOM 271 CE2 PHE A 17 -3.989 -12.878 -8.087 1.00 0.00 C ATOM 272 CZ PHE A 17 -3.035 -13.084 -9.094 1.00 0.00 C ATOM 0 H PHE A 17 -3.338 -18.160 -7.912 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.742 -17.832 -6.319 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.706 -15.899 -5.617 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.297 -16.833 -6.080 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.244 -16.343 -8.451 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.100 -13.799 -6.491 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.730 -14.509 -10.048 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -4.444 -11.907 -7.957 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.760 -12.272 -9.751 1.00 0.00 H new ATOM 282 N LYS A 18 -6.852 -15.804 -7.702 1.00 0.00 N ATOM 283 CA LYS A 18 -7.766 -15.014 -8.550 1.00 0.00 C ATOM 284 C LYS A 18 -7.453 -13.523 -8.483 1.00 0.00 C ATOM 285 O LYS A 18 -7.387 -12.935 -7.403 1.00 0.00 O ATOM 286 CB LYS A 18 -9.213 -15.207 -8.114 1.00 0.00 C ATOM 287 CG LYS A 18 -9.730 -16.643 -8.124 1.00 0.00 C ATOM 288 CD LYS A 18 -9.762 -17.279 -9.526 1.00 0.00 C ATOM 289 CE LYS A 18 -10.379 -18.683 -9.451 1.00 0.00 C ATOM 290 NZ LYS A 18 -10.460 -19.317 -10.791 1.00 0.00 N ATOM 0 H LYS A 18 -6.860 -15.503 -6.727 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.625 -15.370 -9.570 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -9.324 -14.809 -7.105 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.850 -14.608 -8.764 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.101 -17.251 -7.473 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -10.735 -16.661 -7.703 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.342 -16.654 -10.205 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.752 -17.338 -9.931 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.782 -19.308 -8.788 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -11.377 -18.620 -9.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -10.881 -20.264 -10.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -11.050 -18.732 -11.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.505 -19.400 -11.194 1.00 0.00 H new ATOM 304 N ALA A 19 -7.332 -12.913 -9.653 1.00 0.00 N ATOM 305 CA ALA A 19 -7.144 -11.475 -9.836 1.00 0.00 C ATOM 306 C ALA A 19 -8.299 -10.687 -9.188 1.00 0.00 C ATOM 307 O ALA A 19 -9.441 -10.743 -9.653 1.00 0.00 O ATOM 308 CB ALA A 19 -6.989 -11.205 -11.339 1.00 0.00 C ATOM 0 H ALA A 19 -7.363 -13.422 -10.536 1.00 0.00 H new ATOM 0 HA ALA A 19 -6.241 -11.130 -9.332 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.847 -10.137 -11.504 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.124 -11.749 -11.719 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -7.885 -11.537 -11.863 1.00 0.00 H new ATOM 314 N GLY A 20 -7.999 -9.963 -8.108 1.00 0.00 N ATOM 315 CA GLY A 20 -8.943 -9.099 -7.395 1.00 0.00 C ATOM 316 C GLY A 20 -9.606 -9.693 -6.137 1.00 0.00 C ATOM 317 O GLY A 20 -10.358 -8.979 -5.464 1.00 0.00 O ATOM 0 H GLY A 20 -7.067 -9.961 -7.693 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.420 -8.188 -7.106 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.730 -8.808 -8.090 1.00 0.00 H new ATOM 321 N ASP A 21 -9.395 -10.978 -5.818 1.00 0.00 N ATOM 322 CA ASP A 21 -10.128 -11.696 -4.752 1.00 0.00 C ATOM 323 C ASP A 21 -9.432 -11.656 -3.361 1.00 0.00 C ATOM 324 O ASP A 21 -8.733 -10.692 -3.026 1.00 0.00 O ATOM 325 CB ASP A 21 -10.400 -13.117 -5.273 1.00 0.00 C ATOM 326 CG ASP A 21 -11.669 -13.728 -4.649 1.00 0.00 C ATOM 327 OD1 ASP A 21 -12.782 -13.443 -5.144 1.00 0.00 O ATOM 328 OD2 ASP A 21 -11.549 -14.477 -3.652 1.00 0.00 O ATOM 0 H ASP A 21 -8.705 -11.559 -6.294 1.00 0.00 H new ATOM 0 HA ASP A 21 -11.070 -11.188 -4.549 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.506 -13.091 -6.358 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -9.544 -13.754 -5.051 1.00 0.00 H new ATOM 333 N LYS A 22 -9.638 -12.682 -2.524 1.00 0.00 N ATOM 334 CA LYS A 22 -9.023 -12.881 -1.199 1.00 0.00 C ATOM 335 C LYS A 22 -7.966 -13.996 -1.225 1.00 0.00 C ATOM 336 O LYS A 22 -7.961 -14.848 -2.118 1.00 0.00 O ATOM 337 CB LYS A 22 -10.126 -13.231 -0.184 1.00 0.00 C ATOM 338 CG LYS A 22 -11.099 -12.080 0.122 1.00 0.00 C ATOM 339 CD LYS A 22 -10.489 -11.058 1.088 1.00 0.00 C ATOM 340 CE LYS A 22 -11.488 -9.949 1.446 1.00 0.00 C ATOM 341 NZ LYS A 22 -11.612 -8.953 0.348 1.00 0.00 N ATOM 0 H LYS A 22 -10.275 -13.441 -2.765 1.00 0.00 H new ATOM 0 HA LYS A 22 -8.520 -11.958 -0.910 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.695 -14.080 -0.563 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -9.658 -13.551 0.747 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -11.375 -11.581 -0.807 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -12.016 -12.484 0.552 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.166 -11.565 1.998 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.601 -10.616 0.637 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -12.464 -10.389 1.652 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.166 -9.448 2.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.332 -8.246 0.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.697 -8.480 0.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.894 -9.436 -0.529 1.00 0.00 H new ATOM 355 N VAL A 23 -7.111 -14.015 -0.204 1.00 0.00 N ATOM 356 CA VAL A 23 -6.084 -15.045 0.043 1.00 0.00 C ATOM 357 C VAL A 23 -6.026 -15.412 1.535 1.00 0.00 C ATOM 358 O VAL A 23 -6.115 -14.531 2.391 1.00 0.00 O ATOM 359 CB VAL A 23 -4.686 -14.597 -0.431 1.00 0.00 C ATOM 360 CG1 VAL A 23 -4.609 -14.513 -1.960 1.00 0.00 C ATOM 361 CG2 VAL A 23 -4.220 -13.242 0.114 1.00 0.00 C ATOM 0 H VAL A 23 -7.109 -13.285 0.508 1.00 0.00 H new ATOM 0 HA VAL A 23 -6.374 -15.922 -0.536 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.028 -15.369 -0.032 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.610 -14.194 -2.257 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.820 -15.492 -2.389 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.342 -13.792 -2.322 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.228 -13.015 -0.276 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.918 -12.465 -0.197 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.182 -13.281 1.203 1.00 0.00 H new ATOM 371 N LYS A 24 -5.864 -16.704 1.859 1.00 0.00 N ATOM 372 CA LYS A 24 -5.520 -17.186 3.203 1.00 0.00 C ATOM 373 C LYS A 24 -4.079 -16.816 3.584 1.00 0.00 C ATOM 374 O LYS A 24 -3.359 -16.224 2.784 1.00 0.00 O ATOM 375 CB LYS A 24 -5.731 -18.711 3.243 1.00 0.00 C ATOM 376 CG LYS A 24 -7.215 -19.081 3.340 1.00 0.00 C ATOM 377 CD LYS A 24 -7.704 -19.260 4.779 1.00 0.00 C ATOM 378 CE LYS A 24 -7.500 -18.063 5.725 1.00 0.00 C ATOM 379 NZ LYS A 24 -8.521 -17.005 5.470 1.00 0.00 N ATOM 0 H LYS A 24 -5.971 -17.457 1.179 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.168 -16.705 3.936 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.303 -19.160 2.347 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.196 -19.129 4.096 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.808 -18.304 2.857 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.388 -20.005 2.788 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.768 -19.496 4.751 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.196 -20.124 5.207 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.567 -18.397 6.760 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -6.500 -17.651 5.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.089 -16.068 5.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.876 -17.093 4.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.310 -17.116 6.138 1.00 0.00 H new ATOM 393 N LYS A 25 -3.672 -17.184 4.808 1.00 0.00 N ATOM 394 CA LYS A 25 -2.417 -16.844 5.523 1.00 0.00 C ATOM 395 C LYS A 25 -1.113 -17.375 4.877 1.00 0.00 C ATOM 396 O LYS A 25 -0.255 -17.925 5.564 1.00 0.00 O ATOM 397 CB LYS A 25 -2.521 -17.261 6.991 1.00 0.00 C ATOM 398 CG LYS A 25 -3.707 -16.669 7.771 1.00 0.00 C ATOM 399 CD LYS A 25 -3.439 -15.357 8.534 1.00 0.00 C ATOM 400 CE LYS A 25 -2.268 -15.456 9.525 1.00 0.00 C ATOM 401 NZ LYS A 25 -2.179 -14.277 10.430 1.00 0.00 N ATOM 0 H LYS A 25 -4.264 -17.784 5.383 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.325 -15.761 5.445 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.586 -18.348 7.037 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.599 -16.975 7.497 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.524 -16.496 7.071 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.052 -17.416 8.486 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -3.232 -14.564 7.816 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -4.340 -15.069 9.075 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.379 -16.360 10.123 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.335 -15.554 8.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.487 -14.468 11.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.878 -13.444 9.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.110 -14.095 10.855 1.00 0.00 H new ATOM 415 N GLY A 26 -1.002 -17.283 3.554 1.00 0.00 N ATOM 416 CA GLY A 26 0.069 -17.864 2.741 1.00 0.00 C ATOM 417 C GLY A 26 -0.388 -18.811 1.643 1.00 0.00 C ATOM 418 O GLY A 26 0.396 -19.669 1.234 1.00 0.00 O ATOM 0 H GLY A 26 -1.687 -16.778 2.991 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.637 -17.053 2.285 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.752 -18.401 3.400 1.00 0.00 H new ATOM 422 N GLN A 27 -1.644 -18.723 1.190 1.00 0.00 N ATOM 423 CA GLN A 27 -2.114 -19.543 0.071 1.00 0.00 C ATOM 424 C GLN A 27 -1.179 -19.468 -1.150 1.00 0.00 C ATOM 425 O GLN A 27 -0.562 -18.437 -1.430 1.00 0.00 O ATOM 426 CB GLN A 27 -3.601 -19.341 -0.213 1.00 0.00 C ATOM 427 CG GLN A 27 -3.856 -18.428 -1.379 1.00 0.00 C ATOM 428 CD GLN A 27 -5.348 -18.233 -1.619 1.00 0.00 C ATOM 429 OE1 GLN A 27 -6.166 -18.251 -0.707 1.00 0.00 O ATOM 430 NE2 GLN A 27 -5.754 -18.095 -2.858 1.00 0.00 N ATOM 0 H GLN A 27 -2.348 -18.096 1.579 1.00 0.00 H new ATOM 0 HA GLN A 27 -2.050 -20.588 0.374 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -4.063 -20.309 -0.408 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -4.083 -18.931 0.675 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.387 -17.462 -1.195 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -3.393 -18.842 -2.275 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.075 -18.080 -3.619 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -6.749 -18.003 -3.061 1.00 0.00 H new ATOM 439 N THR A 28 -1.067 -20.577 -1.872 1.00 0.00 N ATOM 440 CA THR A 28 -0.272 -20.690 -3.100 1.00 0.00 C ATOM 441 C THR A 28 -0.909 -19.878 -4.228 1.00 0.00 C ATOM 442 O THR A 28 -2.129 -19.865 -4.394 1.00 0.00 O ATOM 443 CB THR A 28 -0.141 -22.171 -3.459 1.00 0.00 C ATOM 444 OG1 THR A 28 0.365 -22.874 -2.337 1.00 0.00 O ATOM 445 CG2 THR A 28 0.833 -22.427 -4.599 1.00 0.00 C ATOM 0 H THR A 28 -1.536 -21.446 -1.618 1.00 0.00 H new ATOM 0 HA THR A 28 0.725 -20.278 -2.945 1.00 0.00 H new ATOM 0 HB THR A 28 -1.135 -22.502 -3.761 1.00 0.00 H new ATOM 0 HG1 THR A 28 0.450 -23.825 -2.558 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.880 -23.496 -4.804 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.495 -21.901 -5.492 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.823 -22.067 -4.319 1.00 0.00 H new ATOM 453 N LEU A 29 -0.062 -19.183 -4.991 1.00 0.00 N ATOM 454 CA LEU A 29 -0.431 -18.149 -5.960 1.00 0.00 C ATOM 455 C LEU A 29 0.029 -18.468 -7.392 1.00 0.00 C ATOM 456 O LEU A 29 -0.762 -18.343 -8.328 1.00 0.00 O ATOM 457 CB LEU A 29 0.187 -16.822 -5.524 1.00 0.00 C ATOM 458 CG LEU A 29 -0.133 -16.327 -4.107 1.00 0.00 C ATOM 459 CD1 LEU A 29 0.288 -14.869 -4.066 1.00 0.00 C ATOM 460 CD2 LEU A 29 -1.595 -16.392 -3.669 1.00 0.00 C ATOM 0 H LEU A 29 0.946 -19.333 -4.948 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.520 -18.098 -5.978 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.270 -16.909 -5.614 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.131 -16.054 -6.229 1.00 0.00 H new ATOM 0 HG LEU A 29 0.395 -16.993 -3.425 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.084 -14.459 -3.077 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.355 -14.792 -4.278 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.272 -14.308 -4.814 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -1.687 -16.014 -2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -2.203 -15.783 -4.338 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.940 -17.425 -3.705 1.00 0.00 H new ATOM 472 N PHE A 30 1.271 -18.934 -7.552 1.00 0.00 N ATOM 473 CA PHE A 30 1.865 -19.235 -8.869 1.00 0.00 C ATOM 474 C PHE A 30 2.736 -20.498 -8.867 1.00 0.00 C ATOM 475 O PHE A 30 3.188 -20.973 -7.823 1.00 0.00 O ATOM 476 CB PHE A 30 2.723 -18.049 -9.379 1.00 0.00 C ATOM 477 CG PHE A 30 2.086 -16.682 -9.327 1.00 0.00 C ATOM 478 CD1 PHE A 30 2.155 -15.905 -8.151 1.00 0.00 C ATOM 479 CD2 PHE A 30 1.451 -16.169 -10.470 1.00 0.00 C ATOM 480 CE1 PHE A 30 1.507 -14.660 -8.073 1.00 0.00 C ATOM 481 CE2 PHE A 30 0.817 -14.923 -10.406 1.00 0.00 C ATOM 482 CZ PHE A 30 0.795 -14.198 -9.205 1.00 0.00 C ATOM 0 H PHE A 30 1.901 -19.116 -6.770 1.00 0.00 H new ATOM 0 HA PHE A 30 1.019 -19.407 -9.534 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.643 -18.018 -8.795 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.007 -18.253 -10.411 1.00 0.00 H new ATOM 0 HD1 PHE A 30 2.712 -16.271 -7.301 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.452 -16.732 -11.392 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.552 -14.070 -7.170 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.342 -14.517 -11.287 1.00 0.00 H new ATOM 0 HZ PHE A 30 0.230 -13.280 -9.144 1.00 0.00 H new ATOM 492 N ILE A 31 3.029 -20.971 -10.077 1.00 0.00 N ATOM 493 CA ILE A 31 3.994 -22.037 -10.389 1.00 0.00 C ATOM 494 C ILE A 31 4.897 -21.502 -11.497 1.00 0.00 C ATOM 495 O ILE A 31 4.407 -20.834 -12.406 1.00 0.00 O ATOM 496 CB ILE A 31 3.269 -23.324 -10.827 1.00 0.00 C ATOM 497 CG1 ILE A 31 2.287 -23.718 -9.713 1.00 0.00 C ATOM 498 CG2 ILE A 31 4.253 -24.478 -11.132 1.00 0.00 C ATOM 499 CD1 ILE A 31 1.511 -25.003 -9.950 1.00 0.00 C ATOM 0 H ILE A 31 2.578 -20.604 -10.915 1.00 0.00 H new ATOM 0 HA ILE A 31 4.583 -22.301 -9.510 1.00 0.00 H new ATOM 0 HB ILE A 31 2.734 -23.133 -11.757 1.00 0.00 H new ATOM 0 HG12 ILE A 31 2.843 -23.816 -8.781 1.00 0.00 H new ATOM 0 HG13 ILE A 31 1.575 -22.904 -9.575 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.693 -25.362 -11.436 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.926 -24.180 -11.936 1.00 0.00 H new ATOM 0 HG23 ILE A 31 4.834 -24.706 -10.239 1.00 0.00 H new ATOM 0 HD11 ILE A 31 0.848 -25.189 -9.105 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.920 -24.909 -10.861 1.00 0.00 H new ATOM 0 HD13 ILE A 31 2.208 -25.835 -10.054 1.00 0.00 H new ATOM 511 N ILE A 32 6.189 -21.800 -11.441 1.00 0.00 N ATOM 512 CA ILE A 32 7.222 -21.398 -12.397 1.00 0.00 C ATOM 513 C ILE A 32 7.984 -22.591 -12.933 1.00 0.00 C ATOM 514 O ILE A 32 8.189 -23.553 -12.201 1.00 0.00 O ATOM 515 CB ILE A 32 8.186 -20.403 -11.701 1.00 0.00 C ATOM 516 CG1 ILE A 32 7.528 -19.023 -11.777 1.00 0.00 C ATOM 517 CG2 ILE A 32 9.612 -20.356 -12.282 1.00 0.00 C ATOM 518 CD1 ILE A 32 8.345 -17.928 -11.089 1.00 0.00 C ATOM 0 H ILE A 32 6.571 -22.364 -10.681 1.00 0.00 H new ATOM 0 HA ILE A 32 6.743 -20.918 -13.250 1.00 0.00 H new ATOM 0 HB ILE A 32 8.333 -20.743 -10.676 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.381 -18.755 -12.823 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.540 -19.073 -11.319 1.00 0.00 H new ATOM 0 HG21 ILE A 32 10.207 -19.631 -11.727 1.00 0.00 H new ATOM 0 HG22 ILE A 32 10.071 -21.341 -12.200 1.00 0.00 H new ATOM 0 HG23 ILE A 32 9.568 -20.063 -13.331 1.00 0.00 H new ATOM 0 HD11 ILE A 32 7.824 -16.975 -11.179 1.00 0.00 H new ATOM 0 HD12 ILE A 32 8.470 -18.175 -10.035 1.00 0.00 H new ATOM 0 HD13 ILE A 32 9.324 -17.852 -11.563 1.00 0.00 H new ATOM 530 N GLU A 33 8.457 -22.499 -14.180 1.00 0.00 N ATOM 531 CA GLU A 33 9.416 -23.444 -14.736 1.00 0.00 C ATOM 532 C GLU A 33 10.823 -22.836 -14.690 1.00 0.00 C ATOM 533 O GLU A 33 11.028 -21.717 -15.168 1.00 0.00 O ATOM 534 CB GLU A 33 8.998 -23.830 -16.161 1.00 0.00 C ATOM 535 CG GLU A 33 9.503 -25.231 -16.483 1.00 0.00 C ATOM 536 CD GLU A 33 9.031 -25.686 -17.872 1.00 0.00 C ATOM 537 OE1 GLU A 33 9.717 -25.376 -18.879 1.00 0.00 O ATOM 538 OE2 GLU A 33 7.953 -26.323 -17.974 1.00 0.00 O ATOM 0 H GLU A 33 8.181 -21.763 -14.830 1.00 0.00 H new ATOM 0 HA GLU A 33 9.431 -24.357 -14.141 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.913 -23.794 -16.254 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.403 -23.114 -16.876 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.592 -25.246 -16.443 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.147 -25.931 -15.728 1.00 0.00 H new ATOM 545 N GLN A 34 11.772 -23.561 -14.089 1.00 0.00 N ATOM 546 CA GLN A 34 13.184 -23.191 -13.929 1.00 0.00 C ATOM 547 C GLN A 34 13.961 -23.247 -15.265 1.00 0.00 C ATOM 548 O GLN A 34 15.016 -23.878 -15.359 1.00 0.00 O ATOM 549 CB GLN A 34 13.852 -24.076 -12.855 1.00 0.00 C ATOM 550 CG GLN A 34 13.315 -23.864 -11.430 1.00 0.00 C ATOM 551 CD GLN A 34 14.178 -24.562 -10.373 1.00 0.00 C ATOM 552 OE1 GLN A 34 15.015 -25.411 -10.644 1.00 0.00 O ATOM 553 NE2 GLN A 34 14.019 -24.224 -9.113 1.00 0.00 N ATOM 0 H GLN A 34 11.565 -24.472 -13.678 1.00 0.00 H new ATOM 0 HA GLN A 34 13.216 -22.154 -13.595 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.717 -25.122 -13.129 1.00 0.00 H new ATOM 0 HB3 GLN A 34 14.925 -23.882 -12.858 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.274 -22.796 -11.215 1.00 0.00 H new ATOM 0 HG3 GLN A 34 12.294 -24.241 -11.369 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.328 -23.518 -8.858 1.00 0.00 H new ATOM 0 HE22 GLN A 34 14.587 -24.667 -8.391 1.00 0.00 H new ATOM 562 N ASP A 35 13.435 -22.570 -16.292 1.00 0.00 N ATOM 563 CA ASP A 35 14.019 -22.389 -17.634 1.00 0.00 C ATOM 564 C ASP A 35 15.551 -22.238 -17.643 1.00 0.00 C ATOM 565 O ASP A 35 16.233 -22.900 -18.432 1.00 0.00 O ATOM 566 CB ASP A 35 13.367 -21.169 -18.296 1.00 0.00 C ATOM 567 CG ASP A 35 14.006 -20.846 -19.664 1.00 0.00 C ATOM 568 OD1 ASP A 35 13.604 -21.463 -20.678 1.00 0.00 O ATOM 569 OD2 ASP A 35 14.909 -19.976 -19.728 1.00 0.00 O ATOM 0 H ASP A 35 12.532 -22.103 -16.207 1.00 0.00 H new ATOM 0 HA ASP A 35 13.813 -23.302 -18.193 1.00 0.00 H new ATOM 0 HB2 ASP A 35 12.301 -21.354 -18.428 1.00 0.00 H new ATOM 0 HB3 ASP A 35 13.462 -20.305 -17.638 1.00 0.00 H new ATOM 574 N GLN A 36 16.090 -21.387 -16.755 1.00 0.00 N ATOM 575 CA GLN A 36 17.536 -21.144 -16.628 1.00 0.00 C ATOM 576 C GLN A 36 18.027 -20.744 -15.224 1.00 0.00 C ATOM 577 O GLN A 36 19.137 -20.222 -15.095 1.00 0.00 O ATOM 578 CB GLN A 36 17.987 -20.201 -17.727 1.00 0.00 C ATOM 579 CG GLN A 36 17.474 -18.773 -17.607 1.00 0.00 C ATOM 580 CD GLN A 36 17.939 -18.029 -18.847 1.00 0.00 C ATOM 581 OE1 GLN A 36 18.916 -17.286 -18.861 1.00 0.00 O ATOM 582 NE2 GLN A 36 17.356 -18.345 -19.978 1.00 0.00 N ATOM 0 H GLN A 36 15.529 -20.843 -16.099 1.00 0.00 H new ATOM 0 HA GLN A 36 18.028 -22.107 -16.763 1.00 0.00 H new ATOM 0 HB2 GLN A 36 19.077 -20.179 -17.740 1.00 0.00 H new ATOM 0 HB3 GLN A 36 17.665 -20.606 -18.686 1.00 0.00 H new ATOM 0 HG2 GLN A 36 16.387 -18.759 -17.534 1.00 0.00 H new ATOM 0 HG3 GLN A 36 17.861 -18.299 -16.705 1.00 0.00 H new ATOM 0 HE21 GLN A 36 16.543 -18.962 -19.978 1.00 0.00 H new ATOM 0 HE22 GLN A 36 17.715 -17.974 -20.858 1.00 0.00 H new ATOM 591 N ALA A 37 17.262 -21.024 -14.160 1.00 0.00 N ATOM 592 CA ALA A 37 17.747 -20.849 -12.785 1.00 0.00 C ATOM 593 C ALA A 37 19.051 -21.642 -12.543 1.00 0.00 C ATOM 594 O ALA A 37 20.049 -21.091 -12.073 1.00 0.00 O ATOM 595 CB ALA A 37 16.634 -21.251 -11.808 1.00 0.00 C ATOM 0 H ALA A 37 16.306 -21.372 -14.225 1.00 0.00 H new ATOM 0 HA ALA A 37 17.995 -19.801 -12.617 1.00 0.00 H new ATOM 0 HB1 ALA A 37 16.985 -21.124 -10.784 1.00 0.00 H new ATOM 0 HB2 ALA A 37 15.760 -20.620 -11.972 1.00 0.00 H new ATOM 0 HB3 ALA A 37 16.365 -22.294 -11.973 1.00 0.00 H new ATOM 601 N SER A 38 19.090 -22.914 -12.970 1.00 0.00 N ATOM 602 CA SER A 38 20.282 -23.778 -12.894 1.00 0.00 C ATOM 603 C SER A 38 21.474 -23.266 -13.705 1.00 0.00 C ATOM 604 O SER A 38 22.613 -23.519 -13.320 1.00 0.00 O ATOM 605 CB SER A 38 19.955 -25.203 -13.358 1.00 0.00 C ATOM 606 OG SER A 38 18.775 -25.678 -12.729 1.00 0.00 O ATOM 0 H SER A 38 18.283 -23.380 -13.384 1.00 0.00 H new ATOM 0 HA SER A 38 20.570 -23.768 -11.843 1.00 0.00 H new ATOM 0 HB2 SER A 38 19.827 -25.218 -14.440 1.00 0.00 H new ATOM 0 HB3 SER A 38 20.788 -25.866 -13.126 1.00 0.00 H new ATOM 0 HG SER A 38 18.582 -26.587 -13.039 1.00 0.00 H new ATOM 612 N LYS A 39 21.233 -22.511 -14.789 1.00 0.00 N ATOM 613 CA LYS A 39 22.275 -21.905 -15.636 1.00 0.00 C ATOM 614 C LYS A 39 23.107 -20.854 -14.883 1.00 0.00 C ATOM 615 O LYS A 39 24.256 -20.601 -15.244 1.00 0.00 O ATOM 616 CB LYS A 39 21.638 -21.324 -16.918 1.00 0.00 C ATOM 617 CG LYS A 39 22.658 -21.126 -18.047 1.00 0.00 C ATOM 618 CD LYS A 39 22.089 -20.679 -19.400 1.00 0.00 C ATOM 619 CE LYS A 39 21.371 -19.331 -19.305 1.00 0.00 C ATOM 620 NZ LYS A 39 21.355 -18.595 -20.598 1.00 0.00 N ATOM 0 H LYS A 39 20.288 -22.300 -15.109 1.00 0.00 H new ATOM 0 HA LYS A 39 22.976 -22.690 -15.920 1.00 0.00 H new ATOM 0 HB2 LYS A 39 20.847 -21.991 -17.261 1.00 0.00 H new ATOM 0 HB3 LYS A 39 21.169 -20.368 -16.685 1.00 0.00 H new ATOM 0 HG2 LYS A 39 23.390 -20.387 -17.722 1.00 0.00 H new ATOM 0 HG3 LYS A 39 23.194 -22.064 -18.193 1.00 0.00 H new ATOM 0 HD2 LYS A 39 22.898 -20.608 -20.127 1.00 0.00 H new ATOM 0 HD3 LYS A 39 21.394 -21.434 -19.768 1.00 0.00 H new ATOM 0 HE2 LYS A 39 20.346 -19.493 -18.971 1.00 0.00 H new ATOM 0 HE3 LYS A 39 21.859 -18.717 -18.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 20.857 -17.690 -20.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 22.332 -18.414 -20.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 20.865 -19.166 -21.316 1.00 0.00 H new ATOM 634 N ASP A 40 22.554 -20.272 -13.816 1.00 0.00 N ATOM 635 CA ASP A 40 23.284 -19.437 -12.854 1.00 0.00 C ATOM 636 C ASP A 40 23.767 -20.266 -11.656 1.00 0.00 C ATOM 637 O ASP A 40 24.930 -20.180 -11.256 1.00 0.00 O ATOM 638 CB ASP A 40 22.370 -18.303 -12.371 1.00 0.00 C ATOM 639 CG ASP A 40 23.146 -17.286 -11.512 1.00 0.00 C ATOM 640 OD1 ASP A 40 23.975 -16.532 -12.071 1.00 0.00 O ATOM 641 OD2 ASP A 40 22.914 -17.229 -10.281 1.00 0.00 O ATOM 0 H ASP A 40 21.564 -20.369 -13.590 1.00 0.00 H new ATOM 0 HA ASP A 40 24.161 -19.020 -13.350 1.00 0.00 H new ATOM 0 HB2 ASP A 40 21.931 -17.796 -13.230 1.00 0.00 H new ATOM 0 HB3 ASP A 40 21.546 -18.719 -11.791 1.00 0.00 H new ATOM 646 N PHE A 41 22.889 -21.106 -11.093 1.00 0.00 N ATOM 647 CA PHE A 41 23.118 -21.814 -9.827 1.00 0.00 C ATOM 648 C PHE A 41 24.259 -22.848 -9.875 1.00 0.00 C ATOM 649 O PHE A 41 24.963 -23.035 -8.880 1.00 0.00 O ATOM 650 CB PHE A 41 21.799 -22.470 -9.387 1.00 0.00 C ATOM 651 CG PHE A 41 21.599 -22.500 -7.887 1.00 0.00 C ATOM 652 CD1 PHE A 41 22.150 -23.535 -7.110 1.00 0.00 C ATOM 653 CD2 PHE A 41 20.852 -21.479 -7.267 1.00 0.00 C ATOM 654 CE1 PHE A 41 21.927 -23.567 -5.721 1.00 0.00 C ATOM 655 CE2 PHE A 41 20.642 -21.505 -5.876 1.00 0.00 C ATOM 656 CZ PHE A 41 21.175 -22.552 -5.105 1.00 0.00 C ATOM 0 H PHE A 41 21.983 -21.316 -11.512 1.00 0.00 H new ATOM 0 HA PHE A 41 23.446 -21.074 -9.097 1.00 0.00 H new ATOM 0 HB2 PHE A 41 20.968 -21.933 -9.844 1.00 0.00 H new ATOM 0 HB3 PHE A 41 21.767 -23.491 -9.768 1.00 0.00 H new ATOM 0 HD1 PHE A 41 22.744 -24.305 -7.579 1.00 0.00 H new ATOM 0 HD2 PHE A 41 20.440 -20.676 -7.860 1.00 0.00 H new ATOM 0 HE1 PHE A 41 22.334 -24.372 -5.128 1.00 0.00 H new ATOM 0 HE2 PHE A 41 20.071 -20.721 -5.401 1.00 0.00 H new ATOM 0 HZ PHE A 41 21.007 -22.577 -4.038 1.00 0.00 H new ATOM 666 N ASN A 42 24.479 -23.507 -11.023 1.00 0.00 N ATOM 667 CA ASN A 42 25.573 -24.468 -11.191 1.00 0.00 C ATOM 668 C ASN A 42 26.963 -23.817 -11.141 1.00 0.00 C ATOM 669 O ASN A 42 27.937 -24.480 -10.781 1.00 0.00 O ATOM 670 CB ASN A 42 25.401 -25.234 -12.518 1.00 0.00 C ATOM 671 CG ASN A 42 25.978 -24.554 -13.757 1.00 0.00 C ATOM 672 OD1 ASN A 42 25.696 -23.407 -14.071 1.00 0.00 O ATOM 673 ND2 ASN A 42 26.809 -25.235 -14.512 1.00 0.00 N ATOM 0 H ASN A 42 23.904 -23.387 -11.857 1.00 0.00 H new ATOM 0 HA ASN A 42 25.517 -25.157 -10.348 1.00 0.00 H new ATOM 0 HB2 ASN A 42 25.868 -26.213 -12.414 1.00 0.00 H new ATOM 0 HB3 ASN A 42 24.337 -25.404 -12.682 1.00 0.00 H new ATOM 0 HD21 ASN A 42 27.209 -24.806 -15.346 1.00 0.00 H new ATOM 0 HD22 ASN A 42 27.055 -26.193 -14.264 1.00 0.00 H new ATOM 680 N ARG A 43 27.057 -22.531 -11.515 1.00 0.00 N ATOM 681 CA ARG A 43 28.339 -21.871 -11.782 1.00 0.00 C ATOM 682 C ARG A 43 29.223 -21.743 -10.541 1.00 0.00 C ATOM 683 O ARG A 43 30.400 -22.100 -10.577 1.00 0.00 O ATOM 684 CB ARG A 43 28.141 -20.486 -12.417 1.00 0.00 C ATOM 685 CG ARG A 43 27.400 -20.565 -13.760 1.00 0.00 C ATOM 686 CD ARG A 43 27.276 -19.191 -14.425 1.00 0.00 C ATOM 687 NE ARG A 43 28.585 -18.666 -14.874 1.00 0.00 N ATOM 688 CZ ARG A 43 29.219 -18.957 -15.995 1.00 0.00 C ATOM 689 NH1 ARG A 43 28.720 -19.772 -16.880 1.00 0.00 N ATOM 690 NH2 ARG A 43 30.380 -18.428 -16.257 1.00 0.00 N ATOM 0 H ARG A 43 26.247 -21.923 -11.640 1.00 0.00 H new ATOM 0 HA ARG A 43 28.856 -22.522 -12.488 1.00 0.00 H new ATOM 0 HB2 ARG A 43 27.581 -19.850 -11.731 1.00 0.00 H new ATOM 0 HB3 ARG A 43 29.112 -20.014 -12.567 1.00 0.00 H new ATOM 0 HG2 ARG A 43 27.929 -21.245 -14.427 1.00 0.00 H new ATOM 0 HG3 ARG A 43 26.406 -20.983 -13.602 1.00 0.00 H new ATOM 0 HD2 ARG A 43 26.603 -19.262 -15.279 1.00 0.00 H new ATOM 0 HD3 ARG A 43 26.827 -18.489 -13.723 1.00 0.00 H new ATOM 0 HE ARG A 43 29.048 -18.007 -14.249 1.00 0.00 H new ATOM 0 HH11 ARG A 43 27.812 -20.208 -16.718 1.00 0.00 H new ATOM 0 HH12 ARG A 43 29.237 -19.975 -17.736 1.00 0.00 H new ATOM 0 HH21 ARG A 43 30.808 -17.782 -15.593 1.00 0.00 H new ATOM 0 HH22 ARG A 43 30.862 -18.659 -17.126 1.00 0.00 H new ATOM 704 N SER A 44 28.649 -21.240 -9.445 1.00 0.00 N ATOM 705 CA SER A 44 29.333 -21.009 -8.163 1.00 0.00 C ATOM 706 C SER A 44 29.488 -22.286 -7.330 1.00 0.00 C ATOM 707 O SER A 44 30.518 -22.482 -6.683 1.00 0.00 O ATOM 708 CB SER A 44 28.562 -19.959 -7.353 1.00 0.00 C ATOM 709 OG SER A 44 27.200 -20.339 -7.205 1.00 0.00 O ATOM 0 H SER A 44 27.665 -20.973 -9.421 1.00 0.00 H new ATOM 0 HA SER A 44 30.337 -20.655 -8.395 1.00 0.00 H new ATOM 0 HB2 SER A 44 29.021 -19.841 -6.371 1.00 0.00 H new ATOM 0 HB3 SER A 44 28.623 -18.991 -7.851 1.00 0.00 H new ATOM 0 HG SER A 44 26.725 -19.658 -6.684 1.00 0.00 H new ATOM 715 N LYS A 45 28.493 -23.183 -7.363 1.00 0.00 N ATOM 716 CA LYS A 45 28.479 -24.429 -6.575 1.00 0.00 C ATOM 717 C LYS A 45 29.643 -25.372 -6.927 1.00 0.00 C ATOM 718 O LYS A 45 30.201 -26.027 -6.047 1.00 0.00 O ATOM 719 CB LYS A 45 27.081 -25.087 -6.691 1.00 0.00 C ATOM 720 CG LYS A 45 27.013 -26.318 -7.614 1.00 0.00 C ATOM 721 CD LYS A 45 25.592 -26.885 -7.728 1.00 0.00 C ATOM 722 CE LYS A 45 25.635 -28.319 -8.280 1.00 0.00 C ATOM 723 NZ LYS A 45 26.040 -29.305 -7.236 1.00 0.00 N ATOM 0 H LYS A 45 27.663 -23.065 -7.944 1.00 0.00 H new ATOM 0 HA LYS A 45 28.650 -24.188 -5.526 1.00 0.00 H new ATOM 0 HB2 LYS A 45 26.751 -25.381 -5.695 1.00 0.00 H new ATOM 0 HB3 LYS A 45 26.374 -24.341 -7.054 1.00 0.00 H new ATOM 0 HG2 LYS A 45 27.373 -26.045 -8.606 1.00 0.00 H new ATOM 0 HG3 LYS A 45 27.681 -27.091 -7.234 1.00 0.00 H new ATOM 0 HD2 LYS A 45 25.110 -26.878 -6.750 1.00 0.00 H new ATOM 0 HD3 LYS A 45 24.992 -26.253 -8.383 1.00 0.00 H new ATOM 0 HE2 LYS A 45 24.654 -28.587 -8.671 1.00 0.00 H new ATOM 0 HE3 LYS A 45 26.335 -28.366 -9.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 25.863 -30.270 -7.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 27.052 -29.193 -7.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 25.487 -29.141 -6.371 1.00 0.00 H new ATOM 737 N ALA A 46 29.995 -25.441 -8.212 1.00 0.00 N ATOM 738 CA ALA A 46 30.974 -26.372 -8.770 1.00 0.00 C ATOM 739 C ALA A 46 32.443 -25.931 -8.589 1.00 0.00 C ATOM 740 O ALA A 46 33.352 -26.715 -8.861 1.00 0.00 O ATOM 741 CB ALA A 46 30.635 -26.562 -10.252 1.00 0.00 C ATOM 0 H ALA A 46 29.590 -24.826 -8.918 1.00 0.00 H new ATOM 0 HA ALA A 46 30.903 -27.310 -8.220 1.00 0.00 H new ATOM 0 HB1 ALA A 46 31.347 -27.253 -10.703 1.00 0.00 H new ATOM 0 HB2 ALA A 46 29.627 -26.967 -10.346 1.00 0.00 H new ATOM 0 HB3 ALA A 46 30.689 -25.601 -10.764 1.00 0.00 H new ATOM 747 N LEU A 47 32.687 -24.699 -8.128 1.00 0.00 N ATOM 748 CA LEU A 47 34.022 -24.133 -7.897 1.00 0.00 C ATOM 749 C LEU A 47 34.861 -24.923 -6.911 1.00 0.00 C ATOM 750 O LEU A 47 36.028 -25.209 -7.191 1.00 0.00 O ATOM 751 CB LEU A 47 33.904 -22.672 -7.408 1.00 0.00 C ATOM 752 CG LEU A 47 33.274 -21.689 -8.407 1.00 0.00 C ATOM 753 CD1 LEU A 47 33.192 -20.301 -7.764 1.00 0.00 C ATOM 754 CD2 LEU A 47 34.073 -21.581 -9.707 1.00 0.00 C ATOM 0 H LEU A 47 31.937 -24.047 -7.898 1.00 0.00 H new ATOM 0 HA LEU A 47 34.535 -24.179 -8.858 1.00 0.00 H new ATOM 0 HB2 LEU A 47 33.313 -22.660 -6.492 1.00 0.00 H new ATOM 0 HB3 LEU A 47 34.900 -22.312 -7.150 1.00 0.00 H new ATOM 0 HG LEU A 47 32.283 -22.069 -8.655 1.00 0.00 H new ATOM 0 HD11 LEU A 47 32.746 -19.599 -8.469 1.00 0.00 H new ATOM 0 HD12 LEU A 47 32.578 -20.352 -6.865 1.00 0.00 H new ATOM 0 HD13 LEU A 47 34.194 -19.962 -7.500 1.00 0.00 H new ATOM 0 HD21 LEU A 47 33.584 -20.874 -10.377 1.00 0.00 H new ATOM 0 HD22 LEU A 47 35.082 -21.233 -9.486 1.00 0.00 H new ATOM 0 HD23 LEU A 47 34.123 -22.559 -10.186 1.00 0.00 H new ATOM 766 N PHE A 48 34.277 -25.257 -5.757 1.00 0.00 N ATOM 767 CA PHE A 48 35.114 -25.684 -4.642 1.00 0.00 C ATOM 768 C PHE A 48 34.397 -26.366 -3.454 1.00 0.00 C ATOM 769 O PHE A 48 35.077 -26.969 -2.620 1.00 0.00 O ATOM 770 CB PHE A 48 35.900 -24.411 -4.244 1.00 0.00 C ATOM 771 CG PHE A 48 35.711 -23.898 -2.834 1.00 0.00 C ATOM 772 CD1 PHE A 48 34.607 -23.068 -2.567 1.00 0.00 C ATOM 773 CD2 PHE A 48 36.605 -24.240 -1.805 1.00 0.00 C ATOM 774 CE1 PHE A 48 34.392 -22.582 -1.265 1.00 0.00 C ATOM 775 CE2 PHE A 48 36.382 -23.763 -0.499 1.00 0.00 C ATOM 776 CZ PHE A 48 35.279 -22.930 -0.232 1.00 0.00 C ATOM 0 H PHE A 48 33.273 -25.241 -5.577 1.00 0.00 H new ATOM 0 HA PHE A 48 35.759 -26.504 -4.959 1.00 0.00 H new ATOM 0 HB2 PHE A 48 36.962 -24.608 -4.393 1.00 0.00 H new ATOM 0 HB3 PHE A 48 35.624 -23.614 -4.934 1.00 0.00 H new ATOM 0 HD1 PHE A 48 33.925 -22.804 -3.362 1.00 0.00 H new ATOM 0 HD2 PHE A 48 37.460 -24.866 -2.015 1.00 0.00 H new ATOM 0 HE1 PHE A 48 33.547 -21.942 -1.059 1.00 0.00 H new ATOM 0 HE2 PHE A 48 37.057 -24.036 0.298 1.00 0.00 H new ATOM 0 HZ PHE A 48 35.114 -22.558 0.768 1.00 0.00 H new ATOM 786 N SER A 49 33.059 -26.326 -3.374 1.00 0.00 N ATOM 787 CA SER A 49 32.310 -26.741 -2.174 1.00 0.00 C ATOM 788 C SER A 49 31.176 -27.741 -2.444 1.00 0.00 C ATOM 789 O SER A 49 31.148 -28.804 -1.820 1.00 0.00 O ATOM 790 CB SER A 49 31.768 -25.492 -1.470 1.00 0.00 C ATOM 791 OG SER A 49 30.994 -24.697 -2.363 1.00 0.00 O ATOM 0 H SER A 49 32.464 -26.006 -4.138 1.00 0.00 H new ATOM 0 HA SER A 49 33.013 -27.277 -1.536 1.00 0.00 H new ATOM 0 HB2 SER A 49 31.156 -25.788 -0.618 1.00 0.00 H new ATOM 0 HB3 SER A 49 32.597 -24.903 -1.078 1.00 0.00 H new ATOM 0 HG SER A 49 30.658 -23.907 -1.890 1.00 0.00 H new ATOM 797 N GLN A 50 30.265 -27.454 -3.384 1.00 0.00 N ATOM 798 CA GLN A 50 29.123 -28.322 -3.720 1.00 0.00 C ATOM 799 C GLN A 50 29.353 -29.191 -4.976 1.00 0.00 C ATOM 800 O GLN A 50 28.408 -29.744 -5.545 1.00 0.00 O ATOM 801 CB GLN A 50 27.828 -27.491 -3.811 1.00 0.00 C ATOM 802 CG GLN A 50 26.636 -28.272 -3.229 1.00 0.00 C ATOM 803 CD GLN A 50 25.306 -27.874 -3.863 1.00 0.00 C ATOM 804 OE1 GLN A 50 24.829 -28.515 -4.792 1.00 0.00 O ATOM 805 NE2 GLN A 50 24.676 -26.809 -3.419 1.00 0.00 N ATOM 0 H GLN A 50 30.299 -26.601 -3.942 1.00 0.00 H new ATOM 0 HA GLN A 50 29.017 -29.038 -2.905 1.00 0.00 H new ATOM 0 HB2 GLN A 50 27.953 -26.553 -3.270 1.00 0.00 H new ATOM 0 HB3 GLN A 50 27.627 -27.234 -4.851 1.00 0.00 H new ATOM 0 HG2 GLN A 50 26.799 -29.340 -3.377 1.00 0.00 H new ATOM 0 HG3 GLN A 50 26.586 -28.103 -2.153 1.00 0.00 H new ATOM 0 HE21 GLN A 50 25.067 -26.270 -2.646 1.00 0.00 H new ATOM 0 HE22 GLN A 50 23.796 -26.521 -3.847 1.00 0.00 H new ATOM 814 N SER A 51 30.603 -29.322 -5.421 1.00 0.00 N ATOM 815 CA SER A 51 31.037 -30.276 -6.456 1.00 0.00 C ATOM 816 C SER A 51 30.876 -31.754 -6.045 1.00 0.00 C ATOM 817 O SER A 51 30.878 -32.638 -6.902 1.00 0.00 O ATOM 818 CB SER A 51 32.498 -29.989 -6.823 1.00 0.00 C ATOM 819 OG SER A 51 33.322 -29.985 -5.663 1.00 0.00 O ATOM 0 H SER A 51 31.369 -28.752 -5.063 1.00 0.00 H new ATOM 0 HA SER A 51 30.384 -30.131 -7.317 1.00 0.00 H new ATOM 0 HB2 SER A 51 32.855 -30.742 -7.525 1.00 0.00 H new ATOM 0 HB3 SER A 51 32.568 -29.025 -7.327 1.00 0.00 H new ATOM 0 HG SER A 51 34.249 -29.802 -5.921 1.00 0.00 H new ATOM 825 N ALA A 52 30.674 -32.019 -4.746 1.00 0.00 N ATOM 826 CA ALA A 52 30.336 -33.330 -4.175 1.00 0.00 C ATOM 827 C ALA A 52 29.040 -33.964 -4.701 1.00 0.00 C ATOM 828 O ALA A 52 28.873 -35.180 -4.556 1.00 0.00 O ATOM 829 CB ALA A 52 30.304 -33.174 -2.648 1.00 0.00 C ATOM 0 H ALA A 52 30.745 -31.293 -4.033 1.00 0.00 H new ATOM 0 HA ALA A 52 31.105 -34.034 -4.494 1.00 0.00 H new ATOM 0 HB1 ALA A 52 30.055 -34.131 -2.190 1.00 0.00 H new ATOM 0 HB2 ALA A 52 31.282 -32.846 -2.295 1.00 0.00 H new ATOM 0 HB3 ALA A 52 29.552 -32.434 -2.374 1.00 0.00 H new ATOM 835 N ILE A 53 28.143 -33.197 -5.329 1.00 0.00 N ATOM 836 CA ILE A 53 26.884 -33.701 -5.852 1.00 0.00 C ATOM 837 C ILE A 53 26.612 -33.227 -7.287 1.00 0.00 C ATOM 838 O ILE A 53 26.627 -32.032 -7.596 1.00 0.00 O ATOM 839 CB ILE A 53 25.797 -33.356 -4.821 1.00 0.00 C ATOM 840 CG1 ILE A 53 24.509 -34.135 -5.070 1.00 0.00 C ATOM 841 CG2 ILE A 53 25.502 -31.853 -4.691 1.00 0.00 C ATOM 842 CD1 ILE A 53 24.751 -35.651 -5.061 1.00 0.00 C ATOM 0 H ILE A 53 28.279 -32.198 -5.487 1.00 0.00 H new ATOM 0 HA ILE A 53 26.906 -34.784 -5.970 1.00 0.00 H new ATOM 0 HB ILE A 53 26.217 -33.666 -3.864 1.00 0.00 H new ATOM 0 HG12 ILE A 53 23.775 -33.879 -4.305 1.00 0.00 H new ATOM 0 HG13 ILE A 53 24.085 -33.840 -6.030 1.00 0.00 H new ATOM 0 HG21 ILE A 53 24.724 -31.698 -3.943 1.00 0.00 H new ATOM 0 HG22 ILE A 53 26.408 -31.329 -4.386 1.00 0.00 H new ATOM 0 HG23 ILE A 53 25.164 -31.464 -5.652 1.00 0.00 H new ATOM 0 HD11 ILE A 53 23.810 -36.171 -5.242 1.00 0.00 H new ATOM 0 HD12 ILE A 53 25.465 -35.910 -5.843 1.00 0.00 H new ATOM 0 HD13 ILE A 53 25.150 -35.950 -4.092 1.00 0.00 H new ATOM 854 N SER A 54 26.410 -34.198 -8.182 1.00 0.00 N ATOM 855 CA SER A 54 26.349 -34.016 -9.639 1.00 0.00 C ATOM 856 C SER A 54 25.299 -33.002 -10.103 1.00 0.00 C ATOM 857 O SER A 54 24.168 -32.978 -9.614 1.00 0.00 O ATOM 858 CB SER A 54 26.107 -35.365 -10.319 1.00 0.00 C ATOM 859 OG SER A 54 27.131 -36.283 -9.963 1.00 0.00 O ATOM 0 H SER A 54 26.279 -35.170 -7.903 1.00 0.00 H new ATOM 0 HA SER A 54 27.314 -33.603 -9.933 1.00 0.00 H new ATOM 0 HB2 SER A 54 25.135 -35.760 -10.024 1.00 0.00 H new ATOM 0 HB3 SER A 54 26.084 -35.236 -11.401 1.00 0.00 H new ATOM 0 HG SER A 54 26.966 -37.144 -10.402 1.00 0.00 H new ATOM 865 N GLN A 55 25.659 -32.213 -11.118 1.00 0.00 N ATOM 866 CA GLN A 55 24.869 -31.115 -11.713 1.00 0.00 C ATOM 867 C GLN A 55 23.517 -31.509 -12.318 1.00 0.00 C ATOM 868 O GLN A 55 22.756 -30.641 -12.750 1.00 0.00 O ATOM 869 CB GLN A 55 25.723 -30.393 -12.770 1.00 0.00 C ATOM 870 CG GLN A 55 26.763 -29.529 -12.063 1.00 0.00 C ATOM 871 CD GLN A 55 27.701 -28.815 -13.037 1.00 0.00 C ATOM 872 OE1 GLN A 55 27.304 -27.957 -13.812 1.00 0.00 O ATOM 873 NE2 GLN A 55 28.981 -29.120 -13.022 1.00 0.00 N ATOM 0 H GLN A 55 26.562 -32.324 -11.579 1.00 0.00 H new ATOM 0 HA GLN A 55 24.614 -30.462 -10.878 1.00 0.00 H new ATOM 0 HB2 GLN A 55 26.214 -31.119 -13.417 1.00 0.00 H new ATOM 0 HB3 GLN A 55 25.090 -29.775 -13.407 1.00 0.00 H new ATOM 0 HG2 GLN A 55 26.254 -28.788 -11.446 1.00 0.00 H new ATOM 0 HG3 GLN A 55 27.351 -30.154 -11.391 1.00 0.00 H new ATOM 0 HE21 GLN A 55 29.328 -29.834 -12.381 1.00 0.00 H new ATOM 0 HE22 GLN A 55 29.626 -28.643 -13.651 1.00 0.00 H new ATOM 882 N LYS A 56 23.215 -32.808 -12.384 1.00 0.00 N ATOM 883 CA LYS A 56 21.952 -33.332 -12.927 1.00 0.00 C ATOM 884 C LYS A 56 21.217 -34.265 -11.945 1.00 0.00 C ATOM 885 O LYS A 56 20.217 -34.888 -12.298 1.00 0.00 O ATOM 886 CB LYS A 56 22.210 -33.964 -14.311 1.00 0.00 C ATOM 887 CG LYS A 56 23.315 -33.258 -15.141 1.00 0.00 C ATOM 888 CD LYS A 56 23.185 -33.514 -16.652 1.00 0.00 C ATOM 889 CE LYS A 56 23.295 -35.004 -17.004 1.00 0.00 C ATOM 890 NZ LYS A 56 23.154 -35.235 -18.465 1.00 0.00 N ATOM 0 H LYS A 56 23.848 -33.539 -12.058 1.00 0.00 H new ATOM 0 HA LYS A 56 21.260 -32.501 -13.065 1.00 0.00 H new ATOM 0 HB2 LYS A 56 22.487 -35.009 -14.174 1.00 0.00 H new ATOM 0 HB3 LYS A 56 21.281 -33.953 -14.881 1.00 0.00 H new ATOM 0 HG2 LYS A 56 23.272 -32.185 -14.955 1.00 0.00 H new ATOM 0 HG3 LYS A 56 24.292 -33.602 -14.802 1.00 0.00 H new ATOM 0 HD2 LYS A 56 22.226 -33.131 -17.002 1.00 0.00 H new ATOM 0 HD3 LYS A 56 23.962 -32.960 -17.180 1.00 0.00 H new ATOM 0 HE2 LYS A 56 24.258 -35.388 -16.666 1.00 0.00 H new ATOM 0 HE3 LYS A 56 22.525 -35.562 -16.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 23.234 -36.252 -18.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 22.225 -34.891 -18.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 23.904 -34.723 -18.971 1.00 0.00 H new ATOM 904 N GLU A 57 21.748 -34.386 -10.723 1.00 0.00 N ATOM 905 CA GLU A 57 21.104 -35.026 -9.567 1.00 0.00 C ATOM 906 C GLU A 57 20.654 -34.013 -8.501 1.00 0.00 C ATOM 907 O GLU A 57 19.555 -34.127 -7.950 1.00 0.00 O ATOM 908 CB GLU A 57 22.076 -36.025 -8.922 1.00 0.00 C ATOM 909 CG GLU A 57 22.286 -37.267 -9.796 1.00 0.00 C ATOM 910 CD GLU A 57 23.012 -38.386 -9.020 1.00 0.00 C ATOM 911 OE1 GLU A 57 24.238 -38.268 -8.782 1.00 0.00 O ATOM 912 OE2 GLU A 57 22.363 -39.397 -8.655 1.00 0.00 O ATOM 0 H GLU A 57 22.676 -34.026 -10.502 1.00 0.00 H new ATOM 0 HA GLU A 57 20.214 -35.533 -9.940 1.00 0.00 H new ATOM 0 HB2 GLU A 57 23.035 -35.537 -8.749 1.00 0.00 H new ATOM 0 HB3 GLU A 57 21.692 -36.328 -7.948 1.00 0.00 H new ATOM 0 HG2 GLU A 57 21.322 -37.633 -10.148 1.00 0.00 H new ATOM 0 HG3 GLU A 57 22.867 -36.999 -10.679 1.00 0.00 H new ATOM 919 N TYR A 58 21.508 -33.030 -8.186 1.00 0.00 N ATOM 920 CA TYR A 58 21.320 -32.091 -7.073 1.00 0.00 C ATOM 921 C TYR A 58 20.030 -31.251 -7.172 1.00 0.00 C ATOM 922 O TYR A 58 19.461 -30.840 -6.159 1.00 0.00 O ATOM 923 CB TYR A 58 22.563 -31.198 -6.966 1.00 0.00 C ATOM 924 CG TYR A 58 22.512 -29.943 -7.815 1.00 0.00 C ATOM 925 CD1 TYR A 58 22.520 -30.047 -9.216 1.00 0.00 C ATOM 926 CD2 TYR A 58 22.372 -28.688 -7.202 1.00 0.00 C ATOM 927 CE1 TYR A 58 22.373 -28.893 -10.007 1.00 0.00 C ATOM 928 CE2 TYR A 58 22.253 -27.529 -7.989 1.00 0.00 C ATOM 929 CZ TYR A 58 22.241 -27.630 -9.396 1.00 0.00 C ATOM 930 OH TYR A 58 22.116 -26.519 -10.172 1.00 0.00 O ATOM 0 H TYR A 58 22.367 -32.862 -8.709 1.00 0.00 H new ATOM 0 HA TYR A 58 21.197 -32.679 -6.164 1.00 0.00 H new ATOM 0 HB2 TYR A 58 22.699 -30.911 -5.923 1.00 0.00 H new ATOM 0 HB3 TYR A 58 23.439 -31.780 -7.253 1.00 0.00 H new ATOM 0 HD1 TYR A 58 22.639 -31.012 -9.685 1.00 0.00 H new ATOM 0 HD2 TYR A 58 22.356 -28.613 -6.125 1.00 0.00 H new ATOM 0 HE1 TYR A 58 22.361 -28.975 -11.084 1.00 0.00 H new ATOM 0 HE2 TYR A 58 22.171 -26.561 -7.516 1.00 0.00 H new ATOM 0 HH TYR A 58 22.033 -25.728 -9.600 1.00 0.00 H new ATOM 940 N ASP A 59 19.536 -31.011 -8.391 1.00 0.00 N ATOM 941 CA ASP A 59 18.319 -30.245 -8.680 1.00 0.00 C ATOM 942 C ASP A 59 17.028 -30.893 -8.148 1.00 0.00 C ATOM 943 O ASP A 59 16.038 -30.191 -7.941 1.00 0.00 O ATOM 944 CB ASP A 59 18.239 -29.972 -10.189 1.00 0.00 C ATOM 945 CG ASP A 59 18.189 -31.270 -11.011 1.00 0.00 C ATOM 946 OD1 ASP A 59 19.256 -31.902 -11.180 1.00 0.00 O ATOM 947 OD2 ASP A 59 17.095 -31.653 -11.491 1.00 0.00 O ATOM 0 H ASP A 59 19.990 -31.358 -9.236 1.00 0.00 H new ATOM 0 HA ASP A 59 18.394 -29.302 -8.138 1.00 0.00 H new ATOM 0 HB2 ASP A 59 17.353 -29.374 -10.402 1.00 0.00 H new ATOM 0 HB3 ASP A 59 19.103 -29.382 -10.496 1.00 0.00 H new ATOM 952 N SER A 60 17.039 -32.187 -7.816 1.00 0.00 N ATOM 953 CA SER A 60 15.942 -32.854 -7.090 1.00 0.00 C ATOM 954 C SER A 60 15.679 -32.251 -5.695 1.00 0.00 C ATOM 955 O SER A 60 14.582 -32.403 -5.158 1.00 0.00 O ATOM 956 CB SER A 60 16.219 -34.354 -6.947 1.00 0.00 C ATOM 957 OG SER A 60 16.278 -34.987 -8.217 1.00 0.00 O ATOM 0 H SER A 60 17.814 -32.811 -8.043 1.00 0.00 H new ATOM 0 HA SER A 60 15.047 -32.693 -7.690 1.00 0.00 H new ATOM 0 HB2 SER A 60 17.160 -34.504 -6.418 1.00 0.00 H new ATOM 0 HB3 SER A 60 15.437 -34.815 -6.343 1.00 0.00 H new ATOM 0 HG SER A 60 16.458 -35.943 -8.098 1.00 0.00 H new ATOM 963 N SER A 61 16.651 -31.528 -5.123 1.00 0.00 N ATOM 964 CA SER A 61 16.500 -30.749 -3.883 1.00 0.00 C ATOM 965 C SER A 61 16.031 -29.294 -4.116 1.00 0.00 C ATOM 966 O SER A 61 15.648 -28.621 -3.159 1.00 0.00 O ATOM 967 CB SER A 61 17.808 -30.744 -3.098 1.00 0.00 C ATOM 968 OG SER A 61 18.274 -32.063 -2.848 1.00 0.00 O ATOM 0 H SER A 61 17.589 -31.466 -5.519 1.00 0.00 H new ATOM 0 HA SER A 61 15.715 -31.245 -3.311 1.00 0.00 H new ATOM 0 HB2 SER A 61 18.564 -30.190 -3.654 1.00 0.00 H new ATOM 0 HB3 SER A 61 17.663 -30.223 -2.151 1.00 0.00 H new ATOM 0 HG SER A 61 19.114 -32.023 -2.345 1.00 0.00 H new ATOM 974 N LEU A 62 16.050 -28.795 -5.362 1.00 0.00 N ATOM 975 CA LEU A 62 15.684 -27.435 -5.756 1.00 0.00 C ATOM 976 C LEU A 62 14.286 -27.323 -6.389 1.00 0.00 C ATOM 977 O LEU A 62 13.724 -26.227 -6.410 1.00 0.00 O ATOM 978 CB LEU A 62 16.736 -26.953 -6.769 1.00 0.00 C ATOM 979 CG LEU A 62 18.151 -26.706 -6.216 1.00 0.00 C ATOM 980 CD1 LEU A 62 19.024 -26.148 -7.340 1.00 0.00 C ATOM 981 CD2 LEU A 62 18.190 -25.698 -5.063 1.00 0.00 C ATOM 0 H LEU A 62 16.337 -29.363 -6.159 1.00 0.00 H new ATOM 0 HA LEU A 62 15.655 -26.823 -4.855 1.00 0.00 H new ATOM 0 HB2 LEU A 62 16.805 -27.691 -7.568 1.00 0.00 H new ATOM 0 HB3 LEU A 62 16.378 -26.027 -7.220 1.00 0.00 H new ATOM 0 HG LEU A 62 18.509 -27.663 -5.837 1.00 0.00 H new ATOM 0 HD11 LEU A 62 20.031 -25.968 -6.963 1.00 0.00 H new ATOM 0 HD12 LEU A 62 19.066 -26.866 -8.159 1.00 0.00 H new ATOM 0 HD13 LEU A 62 18.598 -25.212 -7.701 1.00 0.00 H new ATOM 0 HD21 LEU A 62 19.218 -25.573 -4.723 1.00 0.00 H new ATOM 0 HD22 LEU A 62 17.802 -24.739 -5.405 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.578 -26.064 -4.239 1.00 0.00 H new ATOM 993 N ALA A 63 13.734 -28.415 -6.925 1.00 0.00 N ATOM 994 CA ALA A 63 12.527 -28.383 -7.754 1.00 0.00 C ATOM 995 C ALA A 63 11.696 -29.680 -7.689 1.00 0.00 C ATOM 996 O ALA A 63 12.226 -30.767 -7.438 1.00 0.00 O ATOM 997 CB ALA A 63 12.993 -28.118 -9.191 1.00 0.00 C ATOM 0 H ALA A 63 14.115 -29.352 -6.795 1.00 0.00 H new ATOM 0 HA ALA A 63 11.862 -27.603 -7.383 1.00 0.00 H new ATOM 0 HB1 ALA A 63 12.128 -28.084 -9.854 1.00 0.00 H new ATOM 0 HB2 ALA A 63 13.520 -27.165 -9.233 1.00 0.00 H new ATOM 0 HB3 ALA A 63 13.663 -28.917 -9.509 1.00 0.00 H new ATOM 1003 N THR A 64 10.386 -29.576 -7.961 1.00 0.00 N ATOM 1004 CA THR A 64 9.433 -30.710 -7.976 1.00 0.00 C ATOM 1005 C THR A 64 9.699 -31.729 -9.088 1.00 0.00 C ATOM 1006 O THR A 64 9.562 -32.941 -8.918 1.00 0.00 O ATOM 1007 CB THR A 64 7.989 -30.188 -8.099 1.00 0.00 C ATOM 1008 OG1 THR A 64 7.744 -29.170 -7.149 1.00 0.00 O ATOM 1009 CG2 THR A 64 6.924 -31.266 -7.888 1.00 0.00 C ATOM 0 H THR A 64 9.944 -28.684 -8.182 1.00 0.00 H new ATOM 0 HA THR A 64 9.576 -31.232 -7.030 1.00 0.00 H new ATOM 0 HB THR A 64 7.911 -29.817 -9.121 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.823 -28.849 -7.243 1.00 0.00 H new ATOM 0 HG21 THR A 64 5.933 -30.823 -7.990 1.00 0.00 H new ATOM 0 HG22 THR A 64 7.049 -32.052 -8.633 1.00 0.00 H new ATOM 0 HG23 THR A 64 7.030 -31.692 -6.890 1.00 0.00 H new ATOM 1017 N LEU A 65 10.130 -31.185 -10.217 1.00 0.00 N ATOM 1018 CA LEU A 65 10.592 -31.829 -11.452 1.00 0.00 C ATOM 1019 C LEU A 65 11.636 -30.917 -12.109 1.00 0.00 C ATOM 1020 O LEU A 65 12.811 -31.246 -12.251 1.00 0.00 O ATOM 1021 CB LEU A 65 9.398 -32.048 -12.422 1.00 0.00 C ATOM 1022 CG LEU A 65 8.340 -33.080 -12.004 1.00 0.00 C ATOM 1023 CD1 LEU A 65 7.189 -33.057 -13.008 1.00 0.00 C ATOM 1024 CD2 LEU A 65 8.893 -34.503 -11.955 1.00 0.00 C ATOM 0 H LEU A 65 10.171 -30.170 -10.306 1.00 0.00 H new ATOM 0 HA LEU A 65 11.030 -32.800 -11.222 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.898 -31.090 -12.566 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.799 -32.347 -13.390 1.00 0.00 H new ATOM 0 HG LEU A 65 8.008 -32.807 -11.002 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.436 -33.788 -12.715 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.742 -32.063 -13.026 1.00 0.00 H new ATOM 0 HD13 LEU A 65 7.567 -33.303 -14.000 1.00 0.00 H new ATOM 0 HD21 LEU A 65 8.102 -35.190 -11.654 1.00 0.00 H new ATOM 0 HD22 LEU A 65 9.262 -34.784 -12.941 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.710 -34.551 -11.235 1.00 0.00 H new ATOM 1036 N ASP A 66 11.155 -29.720 -12.408 1.00 0.00 N ATOM 1037 CA ASP A 66 11.847 -28.525 -12.907 1.00 0.00 C ATOM 1038 C ASP A 66 11.030 -27.248 -12.626 1.00 0.00 C ATOM 1039 O ASP A 66 11.135 -26.249 -13.343 1.00 0.00 O ATOM 1040 CB ASP A 66 12.220 -28.685 -14.393 1.00 0.00 C ATOM 1041 CG ASP A 66 11.037 -28.679 -15.387 1.00 0.00 C ATOM 1042 OD1 ASP A 66 9.946 -29.210 -15.075 1.00 0.00 O ATOM 1043 OD2 ASP A 66 11.235 -28.187 -16.526 1.00 0.00 O ATOM 0 H ASP A 66 10.158 -29.534 -12.297 1.00 0.00 H new ATOM 0 HA ASP A 66 12.784 -28.415 -12.361 1.00 0.00 H new ATOM 0 HB2 ASP A 66 12.903 -27.881 -14.665 1.00 0.00 H new ATOM 0 HB3 ASP A 66 12.766 -29.621 -14.513 1.00 0.00 H new ATOM 1048 N HIS A 67 10.213 -27.271 -11.558 1.00 0.00 N ATOM 1049 CA HIS A 67 9.315 -26.185 -11.170 1.00 0.00 C ATOM 1050 C HIS A 67 9.581 -25.638 -9.762 1.00 0.00 C ATOM 1051 O HIS A 67 10.107 -26.340 -8.897 1.00 0.00 O ATOM 1052 CB HIS A 67 7.854 -26.674 -11.176 1.00 0.00 C ATOM 1053 CG HIS A 67 7.358 -27.279 -12.457 1.00 0.00 C ATOM 1054 ND1 HIS A 67 6.810 -28.557 -12.573 1.00 0.00 N ATOM 1055 CD2 HIS A 67 7.275 -26.645 -13.659 1.00 0.00 C ATOM 1056 CE1 HIS A 67 6.419 -28.664 -13.851 1.00 0.00 C ATOM 1057 NE2 HIS A 67 6.701 -27.540 -14.532 1.00 0.00 N ATOM 0 H HIS A 67 10.163 -28.071 -10.928 1.00 0.00 H new ATOM 0 HA HIS A 67 9.495 -25.395 -11.899 1.00 0.00 H new ATOM 0 HB2 HIS A 67 7.737 -27.412 -10.382 1.00 0.00 H new ATOM 0 HB3 HIS A 67 7.210 -25.831 -10.925 1.00 0.00 H new ATOM 0 HD2 HIS A 67 7.596 -25.638 -13.883 1.00 0.00 H new ATOM 0 HE1 HIS A 67 5.942 -29.535 -14.276 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.521 -27.379 -15.523 1.00 0.00 H new ATOM 1065 N THR A 68 9.091 -24.422 -9.512 1.00 0.00 N ATOM 1066 CA THR A 68 9.037 -23.805 -8.173 1.00 0.00 C ATOM 1067 C THR A 68 7.695 -23.098 -7.955 1.00 0.00 C ATOM 1068 O THR A 68 7.123 -22.542 -8.886 1.00 0.00 O ATOM 1069 CB THR A 68 10.197 -22.813 -8.005 1.00 0.00 C ATOM 1070 OG1 THR A 68 11.422 -23.448 -8.281 1.00 0.00 O ATOM 1071 CG2 THR A 68 10.333 -22.247 -6.593 1.00 0.00 C ATOM 0 H THR A 68 8.712 -23.822 -10.245 1.00 0.00 H new ATOM 0 HA THR A 68 9.133 -24.592 -7.424 1.00 0.00 H new ATOM 0 HB THR A 68 9.969 -22.002 -8.696 1.00 0.00 H new ATOM 0 HG1 THR A 68 11.997 -23.407 -7.489 1.00 0.00 H new ATOM 0 HG21 THR A 68 11.175 -21.555 -6.558 1.00 0.00 H new ATOM 0 HG22 THR A 68 9.418 -21.720 -6.323 1.00 0.00 H new ATOM 0 HG23 THR A 68 10.503 -23.062 -5.889 1.00 0.00 H new ATOM 1079 N GLU A 69 7.178 -23.113 -6.724 1.00 0.00 N ATOM 1080 CA GLU A 69 5.901 -22.485 -6.355 1.00 0.00 C ATOM 1081 C GLU A 69 6.111 -21.122 -5.672 1.00 0.00 C ATOM 1082 O GLU A 69 7.160 -20.858 -5.078 1.00 0.00 O ATOM 1083 CB GLU A 69 5.099 -23.418 -5.432 1.00 0.00 C ATOM 1084 CG GLU A 69 4.768 -24.774 -6.075 1.00 0.00 C ATOM 1085 CD GLU A 69 3.939 -25.650 -5.115 1.00 0.00 C ATOM 1086 OE1 GLU A 69 4.499 -26.151 -4.105 1.00 0.00 O ATOM 1087 OE2 GLU A 69 2.731 -25.866 -5.377 1.00 0.00 O ATOM 0 H GLU A 69 7.642 -23.570 -5.939 1.00 0.00 H new ATOM 0 HA GLU A 69 5.340 -22.313 -7.274 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.666 -23.587 -4.517 1.00 0.00 H new ATOM 0 HB3 GLU A 69 4.171 -22.924 -5.145 1.00 0.00 H new ATOM 0 HG2 GLU A 69 4.214 -24.617 -7.000 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.691 -25.290 -6.340 1.00 0.00 H new ATOM 1094 N ILE A 70 5.089 -20.264 -5.719 1.00 0.00 N ATOM 1095 CA ILE A 70 5.069 -18.938 -5.085 1.00 0.00 C ATOM 1096 C ILE A 70 3.795 -18.846 -4.241 1.00 0.00 C ATOM 1097 O ILE A 70 2.718 -19.256 -4.687 1.00 0.00 O ATOM 1098 CB ILE A 70 5.095 -17.798 -6.127 1.00 0.00 C ATOM 1099 CG1 ILE A 70 6.294 -17.797 -7.097 1.00 0.00 C ATOM 1100 CG2 ILE A 70 5.083 -16.428 -5.424 1.00 0.00 C ATOM 1101 CD1 ILE A 70 6.334 -18.939 -8.113 1.00 0.00 C ATOM 0 H ILE A 70 4.223 -20.477 -6.215 1.00 0.00 H new ATOM 0 HA ILE A 70 5.960 -18.822 -4.468 1.00 0.00 H new ATOM 0 HB ILE A 70 4.201 -17.979 -6.723 1.00 0.00 H new ATOM 0 HG12 ILE A 70 6.295 -16.853 -7.641 1.00 0.00 H new ATOM 0 HG13 ILE A 70 7.212 -17.827 -6.509 1.00 0.00 H new ATOM 0 HG21 ILE A 70 5.102 -15.635 -6.172 1.00 0.00 H new ATOM 0 HG22 ILE A 70 4.180 -16.337 -4.821 1.00 0.00 H new ATOM 0 HG23 ILE A 70 5.959 -16.341 -4.781 1.00 0.00 H new ATOM 0 HD11 ILE A 70 7.219 -18.836 -8.741 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.371 -19.893 -7.587 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.441 -18.903 -8.736 1.00 0.00 H new ATOM 1113 N LYS A 71 3.916 -18.294 -3.032 1.00 0.00 N ATOM 1114 CA LYS A 71 2.888 -18.291 -1.982 1.00 0.00 C ATOM 1115 C LYS A 71 2.766 -16.896 -1.362 1.00 0.00 C ATOM 1116 O LYS A 71 3.758 -16.165 -1.282 1.00 0.00 O ATOM 1117 CB LYS A 71 3.271 -19.342 -0.918 1.00 0.00 C ATOM 1118 CG LYS A 71 3.358 -20.772 -1.490 1.00 0.00 C ATOM 1119 CD LYS A 71 3.737 -21.853 -0.467 1.00 0.00 C ATOM 1120 CE LYS A 71 2.799 -22.010 0.739 1.00 0.00 C ATOM 1121 NZ LYS A 71 1.373 -22.159 0.343 1.00 0.00 N ATOM 0 H LYS A 71 4.769 -17.815 -2.743 1.00 0.00 H new ATOM 0 HA LYS A 71 1.917 -18.546 -2.407 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.231 -19.073 -0.478 1.00 0.00 H new ATOM 0 HB3 LYS A 71 2.536 -19.322 -0.114 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.396 -21.031 -1.931 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.091 -20.782 -2.296 1.00 0.00 H new ATOM 0 HD2 LYS A 71 3.790 -22.810 -0.985 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.738 -21.636 -0.095 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.103 -22.881 1.319 1.00 0.00 H new ATOM 0 HE3 LYS A 71 2.902 -21.141 1.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 0.935 -22.918 0.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.869 -21.266 0.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.316 -22.397 -0.668 1.00 0.00 H new ATOM 1135 N ALA A 72 1.561 -16.524 -0.930 1.00 0.00 N ATOM 1136 CA ALA A 72 1.288 -15.247 -0.271 1.00 0.00 C ATOM 1137 C ALA A 72 2.073 -15.081 1.050 1.00 0.00 C ATOM 1138 O ALA A 72 2.538 -16.068 1.635 1.00 0.00 O ATOM 1139 CB ALA A 72 -0.230 -15.124 -0.035 1.00 0.00 C ATOM 0 H ALA A 72 0.733 -17.112 -1.030 1.00 0.00 H new ATOM 0 HA ALA A 72 1.628 -14.443 -0.924 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.446 -14.175 0.456 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.751 -15.165 -0.991 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.568 -15.945 0.597 1.00 0.00 H new ATOM 1145 N PRO A 73 2.182 -13.850 1.580 1.00 0.00 N ATOM 1146 CA PRO A 73 2.716 -13.621 2.925 1.00 0.00 C ATOM 1147 C PRO A 73 1.736 -13.938 4.074 1.00 0.00 C ATOM 1148 O PRO A 73 2.125 -14.503 5.096 1.00 0.00 O ATOM 1149 CB PRO A 73 3.008 -12.121 2.946 1.00 0.00 C ATOM 1150 CG PRO A 73 1.972 -11.532 1.987 1.00 0.00 C ATOM 1151 CD PRO A 73 1.977 -12.582 0.878 1.00 0.00 C ATOM 0 HA PRO A 73 3.571 -14.276 3.094 1.00 0.00 H new ATOM 0 HB2 PRO A 73 2.904 -11.708 3.949 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.025 -11.907 2.617 1.00 0.00 H new ATOM 0 HG2 PRO A 73 0.992 -11.427 2.452 1.00 0.00 H new ATOM 0 HG3 PRO A 73 2.260 -10.546 1.623 1.00 0.00 H new ATOM 0 HD2 PRO A 73 1.038 -12.581 0.325 1.00 0.00 H new ATOM 0 HD3 PRO A 73 2.772 -12.394 0.156 1.00 0.00 H new ATOM 1159 N PHE A 74 0.470 -13.537 3.909 1.00 0.00 N ATOM 1160 CA PHE A 74 -0.551 -13.449 4.959 1.00 0.00 C ATOM 1161 C PHE A 74 -1.996 -13.415 4.410 1.00 0.00 C ATOM 1162 O PHE A 74 -2.208 -13.371 3.199 1.00 0.00 O ATOM 1163 CB PHE A 74 -0.255 -12.172 5.773 1.00 0.00 C ATOM 1164 CG PHE A 74 -0.121 -10.874 4.960 1.00 0.00 C ATOM 1165 CD1 PHE A 74 -1.194 -10.381 4.187 1.00 0.00 C ATOM 1166 CD2 PHE A 74 1.107 -10.181 4.899 1.00 0.00 C ATOM 1167 CE1 PHE A 74 -1.036 -9.261 3.360 1.00 0.00 C ATOM 1168 CE2 PHE A 74 1.254 -9.024 4.113 1.00 0.00 C ATOM 1169 CZ PHE A 74 0.180 -8.565 3.334 1.00 0.00 C ATOM 0 H PHE A 74 0.113 -13.252 2.997 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.498 -14.346 5.576 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.051 -12.039 6.506 1.00 0.00 H new ATOM 0 HB3 PHE A 74 0.669 -12.326 6.331 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.153 -10.875 4.234 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.950 -10.546 5.467 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -1.856 -8.932 2.739 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.192 -8.489 4.109 1.00 0.00 H new ATOM 0 HZ PHE A 74 0.290 -7.683 2.720 1.00 0.00 H new ATOM 1179 N ASP A 75 -2.995 -13.393 5.305 1.00 0.00 N ATOM 1180 CA ASP A 75 -4.409 -13.213 4.956 1.00 0.00 C ATOM 1181 C ASP A 75 -4.717 -11.767 4.567 1.00 0.00 C ATOM 1182 O ASP A 75 -4.335 -10.816 5.259 1.00 0.00 O ATOM 1183 CB ASP A 75 -5.312 -13.603 6.132 1.00 0.00 C ATOM 1184 CG ASP A 75 -6.819 -13.465 5.847 1.00 0.00 C ATOM 1185 OD1 ASP A 75 -7.359 -12.337 5.903 1.00 0.00 O ATOM 1186 OD2 ASP A 75 -7.458 -14.509 5.586 1.00 0.00 O ATOM 0 H ASP A 75 -2.839 -13.502 6.307 1.00 0.00 H new ATOM 0 HA ASP A 75 -4.606 -13.861 4.102 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -5.100 -14.635 6.411 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.058 -12.982 6.991 1.00 0.00 H new ATOM 1191 N GLY A 76 -5.429 -11.600 3.461 1.00 0.00 N ATOM 1192 CA GLY A 76 -5.755 -10.288 2.914 1.00 0.00 C ATOM 1193 C GLY A 76 -6.472 -10.351 1.572 1.00 0.00 C ATOM 1194 O GLY A 76 -7.047 -11.376 1.186 1.00 0.00 O ATOM 0 H GLY A 76 -5.800 -12.376 2.913 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -6.381 -9.751 3.627 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -4.837 -9.712 2.800 1.00 0.00 H new ATOM 1198 N THR A 77 -6.414 -9.230 0.863 1.00 0.00 N ATOM 1199 CA THR A 77 -6.982 -9.050 -0.482 1.00 0.00 C ATOM 1200 C THR A 77 -5.853 -8.878 -1.484 1.00 0.00 C ATOM 1201 O THR A 77 -4.753 -8.444 -1.142 1.00 0.00 O ATOM 1202 CB THR A 77 -7.902 -7.819 -0.474 1.00 0.00 C ATOM 1203 OG1 THR A 77 -8.922 -8.025 0.479 1.00 0.00 O ATOM 1204 CG2 THR A 77 -8.626 -7.492 -1.776 1.00 0.00 C ATOM 0 H THR A 77 -5.956 -8.389 1.214 1.00 0.00 H new ATOM 0 HA THR A 77 -7.567 -9.924 -0.769 1.00 0.00 H new ATOM 0 HB THR A 77 -7.225 -6.991 -0.267 1.00 0.00 H new ATOM 0 HG1 THR A 77 -8.576 -7.833 1.375 1.00 0.00 H new ATOM 0 HG21 THR A 77 -9.241 -6.603 -1.637 1.00 0.00 H new ATOM 0 HG22 THR A 77 -7.894 -7.307 -2.563 1.00 0.00 H new ATOM 0 HG23 THR A 77 -9.260 -8.332 -2.060 1.00 0.00 H new ATOM 1212 N ILE A 78 -6.105 -9.235 -2.738 1.00 0.00 N ATOM 1213 CA ILE A 78 -5.074 -9.320 -3.770 1.00 0.00 C ATOM 1214 C ILE A 78 -5.476 -8.543 -5.026 1.00 0.00 C ATOM 1215 O ILE A 78 -6.662 -8.382 -5.314 1.00 0.00 O ATOM 1216 CB ILE A 78 -4.764 -10.814 -4.000 1.00 0.00 C ATOM 1217 CG1 ILE A 78 -3.394 -10.991 -4.657 1.00 0.00 C ATOM 1218 CG2 ILE A 78 -5.856 -11.549 -4.797 1.00 0.00 C ATOM 1219 CD1 ILE A 78 -2.808 -12.391 -4.548 1.00 0.00 C ATOM 0 H ILE A 78 -7.038 -9.476 -3.072 1.00 0.00 H new ATOM 0 HA ILE A 78 -4.150 -8.836 -3.453 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.746 -11.277 -3.013 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -3.476 -10.728 -5.712 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.697 -10.285 -4.206 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -5.574 -12.594 -4.922 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.802 -11.490 -4.258 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.967 -11.084 -5.776 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.837 -12.419 -5.043 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -2.688 -12.654 -3.497 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -3.479 -13.105 -5.026 1.00 0.00 H new ATOM 1231 N GLY A 79 -4.493 -7.988 -5.733 1.00 0.00 N ATOM 1232 CA GLY A 79 -4.711 -7.157 -6.918 1.00 0.00 C ATOM 1233 C GLY A 79 -4.942 -7.987 -8.181 1.00 0.00 C ATOM 1234 O GLY A 79 -5.085 -9.213 -8.135 1.00 0.00 O ATOM 0 H GLY A 79 -3.508 -8.104 -5.496 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -5.572 -6.509 -6.750 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.848 -6.508 -7.066 1.00 0.00 H new ATOM 1238 N ASP A 80 -5.001 -7.317 -9.332 1.00 0.00 N ATOM 1239 CA ASP A 80 -4.957 -8.006 -10.618 1.00 0.00 C ATOM 1240 C ASP A 80 -3.566 -8.582 -10.891 1.00 0.00 C ATOM 1241 O ASP A 80 -2.533 -7.974 -10.597 1.00 0.00 O ATOM 1242 CB ASP A 80 -5.403 -7.114 -11.782 1.00 0.00 C ATOM 1243 CG ASP A 80 -4.696 -5.743 -11.844 1.00 0.00 C ATOM 1244 OD1 ASP A 80 -4.903 -4.911 -10.925 1.00 0.00 O ATOM 1245 OD2 ASP A 80 -3.957 -5.478 -12.820 1.00 0.00 O ATOM 0 H ASP A 80 -5.079 -6.302 -9.398 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.670 -8.828 -10.549 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.225 -7.643 -12.718 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.478 -6.951 -11.707 1.00 0.00 H new ATOM 1250 N ALA A 81 -3.555 -9.773 -11.482 1.00 0.00 N ATOM 1251 CA ALA A 81 -2.348 -10.449 -11.928 1.00 0.00 C ATOM 1252 C ALA A 81 -1.553 -9.591 -12.936 1.00 0.00 C ATOM 1253 O ALA A 81 -2.116 -9.034 -13.881 1.00 0.00 O ATOM 1254 CB ALA A 81 -2.796 -11.756 -12.580 1.00 0.00 C ATOM 0 H ALA A 81 -4.406 -10.304 -11.667 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.683 -10.630 -11.084 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.923 -12.304 -12.934 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -3.333 -12.361 -11.850 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -3.452 -11.536 -13.422 1.00 0.00 H new ATOM 1260 N LEU A 82 -0.232 -9.540 -12.764 1.00 0.00 N ATOM 1261 CA LEU A 82 0.718 -8.869 -13.663 1.00 0.00 C ATOM 1262 C LEU A 82 1.354 -9.829 -14.703 1.00 0.00 C ATOM 1263 O LEU A 82 2.137 -9.393 -15.547 1.00 0.00 O ATOM 1264 CB LEU A 82 1.794 -8.197 -12.795 1.00 0.00 C ATOM 1265 CG LEU A 82 1.407 -7.033 -11.887 1.00 0.00 C ATOM 1266 CD1 LEU A 82 2.600 -6.634 -11.007 1.00 0.00 C ATOM 1267 CD2 LEU A 82 1.040 -5.876 -12.778 1.00 0.00 C ATOM 0 H LEU A 82 0.227 -9.980 -11.966 1.00 0.00 H new ATOM 0 HA LEU A 82 0.179 -8.127 -14.252 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.236 -8.970 -12.166 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.579 -7.843 -13.463 1.00 0.00 H new ATOM 0 HG LEU A 82 0.576 -7.313 -11.239 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.315 -5.803 -10.362 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.899 -7.483 -10.393 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.434 -6.332 -11.640 1.00 0.00 H new ATOM 0 HD21 LEU A 82 0.756 -5.021 -12.165 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.895 -5.610 -13.399 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.203 -6.159 -13.416 1.00 0.00 H new ATOM 1279 N VAL A 83 1.021 -11.123 -14.645 1.00 0.00 N ATOM 1280 CA VAL A 83 1.653 -12.237 -15.386 1.00 0.00 C ATOM 1281 C VAL A 83 0.632 -13.295 -15.796 1.00 0.00 C ATOM 1282 O VAL A 83 -0.444 -13.420 -15.202 1.00 0.00 O ATOM 1283 CB VAL A 83 2.759 -12.891 -14.523 1.00 0.00 C ATOM 1284 CG1 VAL A 83 3.825 -11.882 -14.087 1.00 0.00 C ATOM 1285 CG2 VAL A 83 2.240 -13.597 -13.258 1.00 0.00 C ATOM 0 H VAL A 83 0.260 -11.447 -14.047 1.00 0.00 H new ATOM 0 HA VAL A 83 2.091 -11.820 -16.293 1.00 0.00 H new ATOM 0 HB VAL A 83 3.188 -13.642 -15.186 1.00 0.00 H new ATOM 0 HG11 VAL A 83 4.579 -12.387 -13.484 1.00 0.00 H new ATOM 0 HG12 VAL A 83 4.296 -11.447 -14.968 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.359 -11.092 -13.498 1.00 0.00 H new ATOM 0 HG21 VAL A 83 3.079 -14.028 -12.711 1.00 0.00 H new ATOM 0 HG22 VAL A 83 1.726 -12.875 -12.624 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.547 -14.389 -13.542 1.00 0.00 H new ATOM 1295 N ASN A 84 0.988 -14.098 -16.796 1.00 0.00 N ATOM 1296 CA ASN A 84 0.195 -15.160 -17.387 1.00 0.00 C ATOM 1297 C ASN A 84 1.078 -16.380 -17.644 1.00 0.00 C ATOM 1298 O ASN A 84 2.301 -16.285 -17.661 1.00 0.00 O ATOM 1299 CB ASN A 84 -0.351 -14.688 -18.742 1.00 0.00 C ATOM 1300 CG ASN A 84 -0.914 -13.280 -18.775 1.00 0.00 C ATOM 1301 OD1 ASN A 84 -2.093 -13.043 -18.551 1.00 0.00 O ATOM 1302 ND2 ASN A 84 -0.093 -12.305 -19.070 1.00 0.00 N ATOM 0 H ASN A 84 1.902 -14.014 -17.241 1.00 0.00 H new ATOM 0 HA ASN A 84 -0.618 -15.414 -16.707 1.00 0.00 H new ATOM 0 HB2 ASN A 84 0.450 -14.756 -19.478 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -1.133 -15.379 -19.057 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -0.436 -11.345 -19.114 1.00 0.00 H new ATOM 0 HD22 ASN A 84 0.890 -12.505 -19.256 1.00 0.00 H new ATOM 1309 N ILE A 85 0.443 -17.511 -17.935 1.00 0.00 N ATOM 1310 CA ILE A 85 1.052 -18.796 -18.272 1.00 0.00 C ATOM 1311 C ILE A 85 1.991 -18.633 -19.482 1.00 0.00 C ATOM 1312 O ILE A 85 1.546 -18.508 -20.626 1.00 0.00 O ATOM 1313 CB ILE A 85 -0.074 -19.809 -18.544 1.00 0.00 C ATOM 1314 CG1 ILE A 85 -0.940 -20.127 -17.290 1.00 0.00 C ATOM 1315 CG2 ILE A 85 0.494 -21.150 -19.040 1.00 0.00 C ATOM 1316 CD1 ILE A 85 -1.803 -18.992 -16.721 1.00 0.00 C ATOM 0 H ILE A 85 -0.576 -17.559 -17.943 1.00 0.00 H new ATOM 0 HA ILE A 85 1.660 -19.165 -17.446 1.00 0.00 H new ATOM 0 HB ILE A 85 -0.698 -19.331 -19.299 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -1.599 -20.959 -17.538 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.274 -20.472 -16.499 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -0.324 -21.846 -19.224 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.049 -20.990 -19.964 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.160 -21.565 -18.284 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.352 -19.353 -15.851 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.163 -18.161 -16.426 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.508 -18.655 -17.481 1.00 0.00 H new ATOM 1328 N GLY A 86 3.293 -18.576 -19.211 1.00 0.00 N ATOM 1329 CA GLY A 86 4.361 -18.458 -20.203 1.00 0.00 C ATOM 1330 C GLY A 86 5.183 -17.180 -20.056 1.00 0.00 C ATOM 1331 O GLY A 86 6.209 -17.052 -20.724 1.00 0.00 O ATOM 0 H GLY A 86 3.648 -18.612 -18.255 1.00 0.00 H new ATOM 0 HA2 GLY A 86 5.023 -19.320 -20.118 1.00 0.00 H new ATOM 0 HA3 GLY A 86 3.925 -18.489 -21.202 1.00 0.00 H new ATOM 1335 N ASP A 87 4.770 -16.231 -19.205 1.00 0.00 N ATOM 1336 CA ASP A 87 5.536 -15.004 -18.965 1.00 0.00 C ATOM 1337 C ASP A 87 6.854 -15.309 -18.237 1.00 0.00 C ATOM 1338 O ASP A 87 6.848 -15.860 -17.134 1.00 0.00 O ATOM 1339 CB ASP A 87 4.700 -14.004 -18.153 1.00 0.00 C ATOM 1340 CG ASP A 87 3.847 -13.084 -19.046 1.00 0.00 C ATOM 1341 OD1 ASP A 87 4.413 -12.416 -19.943 1.00 0.00 O ATOM 1342 OD2 ASP A 87 2.615 -13.010 -18.834 1.00 0.00 O ATOM 0 H ASP A 87 3.904 -16.292 -18.669 1.00 0.00 H new ATOM 0 HA ASP A 87 5.777 -14.561 -19.932 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.047 -14.550 -17.472 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.364 -13.395 -17.539 1.00 0.00 H new ATOM 1347 N TYR A 88 7.987 -14.938 -18.843 1.00 0.00 N ATOM 1348 CA TYR A 88 9.290 -14.921 -18.183 1.00 0.00 C ATOM 1349 C TYR A 88 9.303 -13.883 -17.047 1.00 0.00 C ATOM 1350 O TYR A 88 8.848 -12.750 -17.220 1.00 0.00 O ATOM 1351 CB TYR A 88 10.390 -14.646 -19.215 1.00 0.00 C ATOM 1352 CG TYR A 88 11.739 -14.552 -18.539 1.00 0.00 C ATOM 1353 CD1 TYR A 88 12.340 -15.727 -18.058 1.00 0.00 C ATOM 1354 CD2 TYR A 88 12.306 -13.294 -18.240 1.00 0.00 C ATOM 1355 CE1 TYR A 88 13.468 -15.658 -17.228 1.00 0.00 C ATOM 1356 CE2 TYR A 88 13.459 -13.219 -17.437 1.00 0.00 C ATOM 1357 CZ TYR A 88 14.034 -14.400 -16.914 1.00 0.00 C ATOM 1358 OH TYR A 88 15.134 -14.316 -16.115 1.00 0.00 O ATOM 0 H TYR A 88 8.022 -14.638 -19.817 1.00 0.00 H new ATOM 0 HA TYR A 88 9.482 -15.896 -17.735 1.00 0.00 H new ATOM 0 HB2 TYR A 88 10.405 -15.441 -19.960 1.00 0.00 H new ATOM 0 HB3 TYR A 88 10.176 -13.717 -19.744 1.00 0.00 H new ATOM 0 HD1 TYR A 88 11.931 -16.689 -18.329 1.00 0.00 H new ATOM 0 HD2 TYR A 88 11.856 -12.392 -18.627 1.00 0.00 H new ATOM 0 HE1 TYR A 88 13.903 -16.562 -16.830 1.00 0.00 H new ATOM 0 HE2 TYR A 88 13.905 -12.259 -17.220 1.00 0.00 H new ATOM 0 HH TYR A 88 15.388 -13.376 -16.006 1.00 0.00 H new ATOM 1368 N VAL A 89 9.848 -14.282 -15.897 1.00 0.00 N ATOM 1369 CA VAL A 89 9.983 -13.468 -14.687 1.00 0.00 C ATOM 1370 C VAL A 89 11.338 -13.677 -14.001 1.00 0.00 C ATOM 1371 O VAL A 89 11.985 -14.718 -14.127 1.00 0.00 O ATOM 1372 CB VAL A 89 8.851 -13.722 -13.671 1.00 0.00 C ATOM 1373 CG1 VAL A 89 7.475 -13.387 -14.247 1.00 0.00 C ATOM 1374 CG2 VAL A 89 8.802 -15.161 -13.137 1.00 0.00 C ATOM 0 H VAL A 89 10.224 -15.223 -15.778 1.00 0.00 H new ATOM 0 HA VAL A 89 9.913 -12.434 -15.025 1.00 0.00 H new ATOM 0 HB VAL A 89 9.089 -13.055 -12.842 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.709 -13.581 -13.496 1.00 0.00 H new ATOM 0 HG12 VAL A 89 7.446 -12.335 -14.531 1.00 0.00 H new ATOM 0 HG13 VAL A 89 7.288 -14.005 -15.125 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.979 -15.258 -12.429 1.00 0.00 H new ATOM 0 HG22 VAL A 89 8.650 -15.852 -13.966 1.00 0.00 H new ATOM 0 HG23 VAL A 89 9.741 -15.396 -12.637 1.00 0.00 H new ATOM 1384 N SER A 90 11.729 -12.685 -13.206 1.00 0.00 N ATOM 1385 CA SER A 90 12.976 -12.635 -12.442 1.00 0.00 C ATOM 1386 C SER A 90 12.672 -12.279 -10.978 1.00 0.00 C ATOM 1387 O SER A 90 11.705 -11.564 -10.687 1.00 0.00 O ATOM 1388 CB SER A 90 13.906 -11.664 -13.157 1.00 0.00 C ATOM 1389 OG SER A 90 14.970 -11.249 -12.318 1.00 0.00 O ATOM 0 H SER A 90 11.157 -11.851 -13.069 1.00 0.00 H new ATOM 0 HA SER A 90 13.483 -13.599 -12.397 1.00 0.00 H new ATOM 0 HB2 SER A 90 14.310 -12.138 -14.051 1.00 0.00 H new ATOM 0 HB3 SER A 90 13.340 -10.793 -13.486 1.00 0.00 H new ATOM 0 HG SER A 90 14.868 -10.297 -12.107 1.00 0.00 H new ATOM 1395 N ALA A 91 13.488 -12.802 -10.060 1.00 0.00 N ATOM 1396 CA ALA A 91 13.219 -12.856 -8.618 1.00 0.00 C ATOM 1397 C ALA A 91 12.923 -11.576 -7.844 1.00 0.00 C ATOM 1398 O ALA A 91 12.300 -11.649 -6.784 1.00 0.00 O ATOM 1399 CB ALA A 91 14.287 -13.721 -7.947 1.00 0.00 C ATOM 0 H ALA A 91 14.387 -13.215 -10.308 1.00 0.00 H new ATOM 0 HA ALA A 91 12.227 -13.304 -8.566 1.00 0.00 H new ATOM 0 HB1 ALA A 91 14.096 -13.768 -6.875 1.00 0.00 H new ATOM 0 HB2 ALA A 91 14.256 -14.727 -8.365 1.00 0.00 H new ATOM 0 HB3 ALA A 91 15.271 -13.285 -8.122 1.00 0.00 H new ATOM 1405 N SER A 92 13.321 -10.420 -8.352 1.00 0.00 N ATOM 1406 CA SER A 92 12.798 -9.151 -7.828 1.00 0.00 C ATOM 1407 C SER A 92 12.419 -8.150 -8.932 1.00 0.00 C ATOM 1408 O SER A 92 11.956 -7.041 -8.650 1.00 0.00 O ATOM 1409 CB SER A 92 13.756 -8.535 -6.802 1.00 0.00 C ATOM 1410 OG SER A 92 15.017 -8.225 -7.381 1.00 0.00 O ATOM 0 H SER A 92 13.993 -10.325 -9.114 1.00 0.00 H new ATOM 0 HA SER A 92 11.867 -9.391 -7.314 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.313 -7.629 -6.388 1.00 0.00 H new ATOM 0 HB3 SER A 92 13.897 -9.229 -5.973 1.00 0.00 H new ATOM 0 HG SER A 92 15.602 -7.833 -6.700 1.00 0.00 H new ATOM 1416 N THR A 93 12.576 -8.558 -10.191 1.00 0.00 N ATOM 1417 CA THR A 93 12.576 -7.637 -11.357 1.00 0.00 C ATOM 1418 C THR A 93 11.276 -7.507 -12.162 1.00 0.00 C ATOM 1419 O THR A 93 11.138 -6.545 -12.920 1.00 0.00 O ATOM 1420 CB THR A 93 13.719 -8.019 -12.321 1.00 0.00 C ATOM 1421 OG1 THR A 93 14.870 -8.454 -11.615 1.00 0.00 O ATOM 1422 CG2 THR A 93 14.194 -6.877 -13.221 1.00 0.00 C ATOM 0 H THR A 93 12.708 -9.537 -10.445 1.00 0.00 H new ATOM 0 HA THR A 93 12.709 -6.656 -10.900 1.00 0.00 H new ATOM 0 HB THR A 93 13.282 -8.808 -12.933 1.00 0.00 H new ATOM 0 HG1 THR A 93 15.619 -8.553 -12.239 1.00 0.00 H new ATOM 0 HG21 THR A 93 14.998 -7.232 -13.866 1.00 0.00 H new ATOM 0 HG22 THR A 93 13.364 -6.528 -13.835 1.00 0.00 H new ATOM 0 HG23 THR A 93 14.559 -6.056 -12.604 1.00 0.00 H new ATOM 1430 N THR A 94 10.300 -8.412 -12.011 1.00 0.00 N ATOM 1431 CA THR A 94 9.172 -8.516 -12.977 1.00 0.00 C ATOM 1432 C THR A 94 7.781 -8.343 -12.388 1.00 0.00 C ATOM 1433 O THR A 94 6.915 -7.790 -13.060 1.00 0.00 O ATOM 1434 CB THR A 94 9.238 -9.851 -13.729 1.00 0.00 C ATOM 1435 OG1 THR A 94 10.552 -10.133 -14.157 1.00 0.00 O ATOM 1436 CG2 THR A 94 8.330 -9.851 -14.957 1.00 0.00 C ATOM 0 H THR A 94 10.258 -9.081 -11.242 1.00 0.00 H new ATOM 0 HA THR A 94 9.313 -7.670 -13.650 1.00 0.00 H new ATOM 0 HB THR A 94 8.903 -10.614 -13.026 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.542 -10.372 -15.107 1.00 0.00 H new ATOM 0 HG21 THR A 94 8.404 -10.813 -15.464 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.299 -9.682 -14.647 1.00 0.00 H new ATOM 0 HG23 THR A 94 8.639 -9.058 -15.638 1.00 0.00 H new ATOM 1444 N GLU A 95 7.631 -8.675 -11.106 1.00 0.00 N ATOM 1445 CA GLU A 95 6.453 -8.470 -10.261 1.00 0.00 C ATOM 1446 C GLU A 95 5.178 -9.187 -10.750 1.00 0.00 C ATOM 1447 O GLU A 95 4.762 -9.098 -11.907 1.00 0.00 O ATOM 1448 CB GLU A 95 6.246 -6.963 -10.030 1.00 0.00 C ATOM 1449 CG GLU A 95 7.516 -6.095 -10.074 1.00 0.00 C ATOM 1450 CD GLU A 95 7.317 -4.693 -9.468 1.00 0.00 C ATOM 1451 OE1 GLU A 95 6.516 -3.893 -10.006 1.00 0.00 O ATOM 1452 OE2 GLU A 95 7.995 -4.384 -8.456 1.00 0.00 O ATOM 0 H GLU A 95 8.386 -9.128 -10.592 1.00 0.00 H new ATOM 0 HA GLU A 95 6.654 -8.952 -9.304 1.00 0.00 H new ATOM 0 HB2 GLU A 95 5.550 -6.592 -10.782 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.769 -6.826 -9.059 1.00 0.00 H new ATOM 0 HG2 GLU A 95 8.315 -6.605 -9.537 1.00 0.00 H new ATOM 0 HG3 GLU A 95 7.842 -5.993 -11.109 1.00 0.00 H new ATOM 1459 N LEU A 96 4.574 -9.955 -9.843 1.00 0.00 N ATOM 1460 CA LEU A 96 3.514 -10.927 -10.189 1.00 0.00 C ATOM 1461 C LEU A 96 2.071 -10.454 -9.938 1.00 0.00 C ATOM 1462 O LEU A 96 1.168 -10.836 -10.679 1.00 0.00 O ATOM 1463 CB LEU A 96 3.735 -12.227 -9.419 1.00 0.00 C ATOM 1464 CG LEU A 96 5.174 -12.761 -9.426 1.00 0.00 C ATOM 1465 CD1 LEU A 96 5.329 -13.774 -8.301 1.00 0.00 C ATOM 1466 CD2 LEU A 96 5.544 -13.373 -10.770 1.00 0.00 C ATOM 0 H LEU A 96 4.798 -9.928 -8.848 1.00 0.00 H new ATOM 0 HA LEU A 96 3.605 -11.062 -11.267 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.428 -12.073 -8.385 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.080 -12.992 -9.836 1.00 0.00 H new ATOM 0 HG LEU A 96 5.859 -11.929 -9.265 1.00 0.00 H new ATOM 0 HD11 LEU A 96 6.348 -14.160 -8.297 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.120 -13.292 -7.346 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.630 -14.597 -8.453 1.00 0.00 H new ATOM 0 HD21 LEU A 96 6.570 -13.739 -10.733 1.00 0.00 H new ATOM 0 HD22 LEU A 96 4.871 -14.202 -10.990 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.456 -12.617 -11.550 1.00 0.00 H new ATOM 1478 N VAL A 97 1.875 -9.665 -8.882 1.00 0.00 N ATOM 1479 CA VAL A 97 0.616 -9.102 -8.349 1.00 0.00 C ATOM 1480 C VAL A 97 0.937 -8.363 -7.031 1.00 0.00 C ATOM 1481 O VAL A 97 2.089 -8.379 -6.597 1.00 0.00 O ATOM 1482 CB VAL A 97 -0.495 -10.172 -8.189 1.00 0.00 C ATOM 1483 CG1 VAL A 97 -0.133 -11.330 -7.274 1.00 0.00 C ATOM 1484 CG2 VAL A 97 -1.812 -9.618 -7.669 1.00 0.00 C ATOM 0 H VAL A 97 2.669 -9.369 -8.315 1.00 0.00 H new ATOM 0 HA VAL A 97 0.204 -8.391 -9.065 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.603 -10.528 -9.214 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -0.969 -12.028 -7.222 1.00 0.00 H new ATOM 0 HG12 VAL A 97 0.745 -11.843 -7.667 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.085 -10.951 -6.276 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.538 -10.426 -7.584 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -1.655 -9.166 -6.689 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -2.188 -8.864 -8.360 1.00 0.00 H new ATOM 1494 N ARG A 98 -0.034 -7.724 -6.355 1.00 0.00 N ATOM 1495 CA ARG A 98 0.117 -7.201 -4.988 1.00 0.00 C ATOM 1496 C ARG A 98 -0.825 -7.868 -3.977 1.00 0.00 C ATOM 1497 O ARG A 98 -1.994 -8.053 -4.300 1.00 0.00 O ATOM 1498 CB ARG A 98 0.074 -5.674 -4.987 1.00 0.00 C ATOM 1499 CG ARG A 98 -1.324 -5.116 -5.193 1.00 0.00 C ATOM 1500 CD ARG A 98 -1.979 -4.850 -3.840 1.00 0.00 C ATOM 1501 NE ARG A 98 -3.441 -5.024 -3.886 1.00 0.00 N ATOM 1502 CZ ARG A 98 -4.350 -4.127 -4.239 1.00 0.00 C ATOM 1503 NH1 ARG A 98 -4.027 -2.914 -4.582 1.00 0.00 N ATOM 1504 NH2 ARG A 98 -5.612 -4.437 -4.251 1.00 0.00 N ATOM 0 H ARG A 98 -0.959 -7.555 -6.750 1.00 0.00 H new ATOM 0 HA ARG A 98 1.108 -7.480 -4.629 1.00 0.00 H new ATOM 0 HB2 ARG A 98 0.469 -5.306 -4.040 1.00 0.00 H new ATOM 0 HB3 ARG A 98 0.728 -5.298 -5.773 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -1.276 -4.194 -5.772 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -1.926 -5.821 -5.767 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -1.558 -5.525 -3.095 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -1.746 -3.835 -3.518 1.00 0.00 H new ATOM 0 HE ARG A 98 -3.795 -5.941 -3.615 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -3.048 -2.628 -4.585 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -4.753 -2.249 -4.848 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -5.909 -5.377 -3.987 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -6.306 -3.741 -4.524 1.00 0.00 H new ATOM 1518 N VAL A 99 -0.359 -8.162 -2.755 1.00 0.00 N ATOM 1519 CA VAL A 99 -1.140 -8.774 -1.660 1.00 0.00 C ATOM 1520 C VAL A 99 -1.179 -7.792 -0.495 1.00 0.00 C ATOM 1521 O VAL A 99 -0.130 -7.287 -0.083 1.00 0.00 O ATOM 1522 CB VAL A 99 -0.537 -10.108 -1.162 1.00 0.00 C ATOM 1523 CG1 VAL A 99 -1.577 -10.866 -0.337 1.00 0.00 C ATOM 1524 CG2 VAL A 99 -0.076 -11.015 -2.298 1.00 0.00 C ATOM 0 H VAL A 99 0.607 -7.975 -2.488 1.00 0.00 H new ATOM 0 HA VAL A 99 -2.136 -8.992 -2.045 1.00 0.00 H new ATOM 0 HB VAL A 99 0.336 -9.849 -0.563 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -1.149 -11.806 0.013 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -1.873 -10.261 0.520 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.451 -11.073 -0.955 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.337 -11.935 -1.884 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.924 -11.255 -2.939 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.689 -10.505 -2.883 1.00 0.00 H new ATOM 1534 N THR A 100 -2.371 -7.473 0.007 1.00 0.00 N ATOM 1535 CA THR A 100 -2.517 -6.494 1.089 1.00 0.00 C ATOM 1536 C THR A 100 -3.604 -6.840 2.106 1.00 0.00 C ATOM 1537 O THR A 100 -4.736 -7.163 1.757 1.00 0.00 O ATOM 1538 CB THR A 100 -2.663 -5.093 0.478 1.00 0.00 C ATOM 1539 OG1 THR A 100 -2.484 -4.139 1.497 1.00 0.00 O ATOM 1540 CG2 THR A 100 -4.012 -4.858 -0.199 1.00 0.00 C ATOM 0 H THR A 100 -3.250 -7.876 -0.316 1.00 0.00 H new ATOM 0 HA THR A 100 -1.610 -6.518 1.693 1.00 0.00 H new ATOM 0 HB THR A 100 -1.905 -5.000 -0.300 1.00 0.00 H new ATOM 0 HG1 THR A 100 -2.573 -3.238 1.121 1.00 0.00 H new ATOM 0 HG21 THR A 100 -4.043 -3.848 -0.607 1.00 0.00 H new ATOM 0 HG22 THR A 100 -4.145 -5.580 -1.005 1.00 0.00 H new ATOM 0 HG23 THR A 100 -4.812 -4.979 0.532 1.00 0.00 H new ATOM 1548 N ASN A 101 -3.252 -6.808 3.391 1.00 0.00 N ATOM 1549 CA ASN A 101 -4.191 -7.026 4.484 1.00 0.00 C ATOM 1550 C ASN A 101 -5.053 -5.767 4.702 1.00 0.00 C ATOM 1551 O ASN A 101 -4.532 -4.667 4.896 1.00 0.00 O ATOM 1552 CB ASN A 101 -3.397 -7.400 5.745 1.00 0.00 C ATOM 1553 CG ASN A 101 -4.309 -7.547 6.949 1.00 0.00 C ATOM 1554 OD1 ASN A 101 -4.401 -6.672 7.797 1.00 0.00 O ATOM 1555 ND2 ASN A 101 -5.048 -8.626 7.029 1.00 0.00 N ATOM 0 H ASN A 101 -2.297 -6.628 3.702 1.00 0.00 H new ATOM 0 HA ASN A 101 -4.871 -7.843 4.244 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -2.861 -8.334 5.576 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -2.647 -6.634 5.945 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.704 -8.739 7.802 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -4.967 -9.353 6.318 1.00 0.00 H new ATOM 1562 N LEU A 102 -6.378 -5.941 4.685 1.00 0.00 N ATOM 1563 CA LEU A 102 -7.336 -4.863 4.942 1.00 0.00 C ATOM 1564 C LEU A 102 -7.330 -4.452 6.427 1.00 0.00 C ATOM 1565 O LEU A 102 -6.994 -3.310 6.752 1.00 0.00 O ATOM 1566 CB LEU A 102 -8.722 -5.331 4.473 1.00 0.00 C ATOM 1567 CG LEU A 102 -8.902 -5.378 2.942 1.00 0.00 C ATOM 1568 CD1 LEU A 102 -10.248 -6.027 2.642 1.00 0.00 C ATOM 1569 CD2 LEU A 102 -8.883 -3.995 2.289 1.00 0.00 C ATOM 0 H LEU A 102 -6.818 -6.840 4.491 1.00 0.00 H new ATOM 0 HA LEU A 102 -7.054 -3.970 4.384 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.911 -6.325 4.878 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.477 -4.666 4.894 1.00 0.00 H new ATOM 0 HG LEU A 102 -8.065 -5.943 2.532 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -10.398 -6.071 1.563 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -10.265 -7.037 3.053 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -11.045 -5.438 3.095 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -9.014 -4.099 1.212 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.692 -3.389 2.696 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.929 -3.510 2.493 1.00 0.00 H new ATOM 1581 N ASN A 103 -7.670 -5.380 7.329 1.00 0.00 N ATOM 1582 CA ASN A 103 -7.518 -5.251 8.782 1.00 0.00 C ATOM 1583 C ASN A 103 -7.039 -6.593 9.390 1.00 0.00 C ATOM 1584 O ASN A 103 -7.266 -7.650 8.787 1.00 0.00 O ATOM 1585 CB ASN A 103 -8.841 -4.792 9.423 1.00 0.00 C ATOM 1586 CG ASN A 103 -9.448 -3.545 8.799 1.00 0.00 C ATOM 1587 OD1 ASN A 103 -10.250 -3.594 7.874 1.00 0.00 O ATOM 1588 ND2 ASN A 103 -9.114 -2.379 9.299 1.00 0.00 N ATOM 0 H ASN A 103 -8.074 -6.276 7.056 1.00 0.00 H new ATOM 0 HA ASN A 103 -6.763 -4.493 8.992 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -9.564 -5.605 9.355 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -8.670 -4.605 10.483 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -9.521 -1.525 8.918 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -8.447 -2.326 10.069 1.00 0.00 H new ATOM 1595 N PRO A 104 -6.441 -6.607 10.598 1.00 0.00 N ATOM 1596 CA PRO A 104 -5.837 -7.813 11.176 1.00 0.00 C ATOM 1597 C PRO A 104 -6.813 -8.708 11.946 1.00 0.00 C ATOM 1598 O PRO A 104 -6.494 -9.838 12.326 1.00 0.00 O ATOM 1599 CB PRO A 104 -4.708 -7.275 12.059 1.00 0.00 C ATOM 1600 CG PRO A 104 -5.277 -5.955 12.584 1.00 0.00 C ATOM 1601 CD PRO A 104 -6.192 -5.456 11.456 1.00 0.00 C ATOM 0 HA PRO A 104 -5.482 -8.485 10.394 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -4.469 -7.962 12.871 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -3.791 -7.121 11.491 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -5.833 -6.103 13.510 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.484 -5.238 12.799 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -7.125 -5.060 11.857 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -5.717 -4.649 10.898 1.00 0.00 H new ATOM 1609 N ILE A 105 -8.038 -8.227 12.109 1.00 0.00 N ATOM 1610 CA ILE A 105 -9.169 -8.955 12.712 1.00 0.00 C ATOM 1611 C ILE A 105 -9.659 -10.128 11.858 1.00 0.00 C ATOM 1612 O ILE A 105 -10.124 -11.142 12.377 1.00 0.00 O ATOM 1613 CB ILE A 105 -10.327 -7.987 13.062 1.00 0.00 C ATOM 1614 CG1 ILE A 105 -10.789 -7.163 11.839 1.00 0.00 C ATOM 1615 CG2 ILE A 105 -9.887 -7.063 14.213 1.00 0.00 C ATOM 1616 CD1 ILE A 105 -12.121 -6.428 12.055 1.00 0.00 C ATOM 0 H ILE A 105 -8.291 -7.283 11.817 1.00 0.00 H new ATOM 0 HA ILE A 105 -8.795 -9.395 13.636 1.00 0.00 H new ATOM 0 HB ILE A 105 -11.185 -8.581 13.377 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -10.018 -6.433 11.592 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -10.886 -7.827 10.980 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -10.699 -6.380 14.462 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -9.637 -7.664 15.087 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -9.013 -6.490 13.905 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -12.380 -5.872 11.154 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -12.906 -7.153 12.272 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -12.024 -5.737 12.893 1.00 0.00 H new ATOM 1628 N TYR A 106 -9.467 -10.014 10.546 1.00 0.00 N ATOM 1629 CA TYR A 106 -9.683 -11.060 9.548 1.00 0.00 C ATOM 1630 C TYR A 106 -8.566 -12.120 9.542 1.00 0.00 C ATOM 1631 O TYR A 106 -8.730 -13.201 8.973 1.00 0.00 O ATOM 1632 CB TYR A 106 -9.717 -10.348 8.198 1.00 0.00 C ATOM 1633 CG TYR A 106 -10.720 -9.211 8.061 1.00 0.00 C ATOM 1634 CD1 TYR A 106 -12.025 -9.309 8.590 1.00 0.00 C ATOM 1635 CD2 TYR A 106 -10.326 -8.021 7.417 1.00 0.00 C ATOM 1636 CE1 TYR A 106 -12.915 -8.224 8.500 1.00 0.00 C ATOM 1637 CE2 TYR A 106 -11.210 -6.929 7.327 1.00 0.00 C ATOM 1638 CZ TYR A 106 -12.505 -7.026 7.879 1.00 0.00 C ATOM 1639 OH TYR A 106 -13.360 -5.967 7.808 1.00 0.00 O ATOM 0 H TYR A 106 -9.139 -9.143 10.128 1.00 0.00 H new ATOM 0 HA TYR A 106 -10.606 -11.595 9.771 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -8.722 -9.953 7.994 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -9.930 -11.088 7.426 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -12.342 -10.224 9.068 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -9.337 -7.946 6.989 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -13.912 -8.308 8.906 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -10.898 -6.019 6.836 1.00 0.00 H new ATOM 0 HH TYR A 106 -12.919 -5.221 7.350 1.00 0.00 H new ATOM 1649 N ALA A 107 -7.438 -11.830 10.205 1.00 0.00 N ATOM 1650 CA ALA A 107 -6.186 -12.593 10.144 1.00 0.00 C ATOM 1651 C ALA A 107 -5.724 -13.132 11.507 1.00 0.00 C ATOM 1652 O ALA A 107 -4.541 -13.414 11.704 1.00 0.00 O ATOM 1653 CB ALA A 107 -5.141 -11.712 9.446 1.00 0.00 C ATOM 0 H ALA A 107 -7.372 -11.023 10.825 1.00 0.00 H new ATOM 0 HA ALA A 107 -6.343 -13.503 9.564 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -4.195 -12.250 9.383 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -5.485 -11.465 8.442 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -4.999 -10.794 10.017 1.00 0.00 H new ATOM 1659 N ASP A 108 -6.686 -13.272 12.417 1.00 0.00 N ATOM 1660 CA ASP A 108 -6.667 -13.964 13.717 1.00 0.00 C ATOM 1661 C ASP A 108 -6.481 -13.018 14.930 1.00 0.00 C ATOM 1662 O ASP A 108 -6.608 -13.450 16.077 1.00 0.00 O ATOM 1663 CB ASP A 108 -5.679 -15.154 13.749 1.00 0.00 C ATOM 1664 CG ASP A 108 -5.974 -16.152 14.888 1.00 0.00 C ATOM 1665 OD1 ASP A 108 -7.102 -16.701 14.944 1.00 0.00 O ATOM 1666 OD2 ASP A 108 -5.057 -16.448 15.692 1.00 0.00 O ATOM 0 H ASP A 108 -7.603 -12.859 12.248 1.00 0.00 H new ATOM 0 HA ASP A 108 -7.668 -14.382 13.823 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -5.719 -15.678 12.794 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -4.664 -14.773 13.861 1.00 0.00 H new ATOM 1671 N GLY A 109 -6.198 -11.727 14.695 1.00 0.00 N ATOM 1672 CA GLY A 109 -5.836 -10.762 15.749 1.00 0.00 C ATOM 1673 C GLY A 109 -6.948 -10.486 16.772 1.00 0.00 C ATOM 1674 O GLY A 109 -6.685 -10.454 17.973 1.00 0.00 O ATOM 0 H GLY A 109 -6.214 -11.319 13.760 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -4.958 -11.133 16.278 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.551 -9.821 15.279 1.00 0.00 H new ATOM 1678 N SER A 110 -8.192 -10.344 16.295 1.00 0.00 N ATOM 1679 CA SER A 110 -9.442 -10.036 17.029 1.00 0.00 C ATOM 1680 C SER A 110 -9.471 -8.732 17.860 1.00 0.00 C ATOM 1681 O SER A 110 -10.364 -7.905 17.660 1.00 0.00 O ATOM 1682 CB SER A 110 -9.845 -11.239 17.890 1.00 0.00 C ATOM 1683 OG SER A 110 -11.197 -11.110 18.302 1.00 0.00 O ATOM 0 H SER A 110 -8.373 -10.450 15.297 1.00 0.00 H new ATOM 0 HA SER A 110 -10.173 -9.842 16.244 1.00 0.00 H new ATOM 0 HB2 SER A 110 -9.715 -12.161 17.324 1.00 0.00 H new ATOM 0 HB3 SER A 110 -9.195 -11.306 18.763 1.00 0.00 H new ATOM 0 HG SER A 110 -11.447 -11.883 18.850 1.00 0.00 H new ATOM 1689 N HIS A 111 -8.502 -8.503 18.753 1.00 0.00 N ATOM 1690 CA HIS A 111 -8.364 -7.302 19.595 1.00 0.00 C ATOM 1691 C HIS A 111 -6.918 -7.128 20.102 1.00 0.00 C ATOM 1692 O HIS A 111 -6.114 -8.062 20.072 1.00 0.00 O ATOM 1693 CB HIS A 111 -9.365 -7.354 20.770 1.00 0.00 C ATOM 1694 CG HIS A 111 -9.426 -8.653 21.557 1.00 0.00 C ATOM 1695 ND1 HIS A 111 -10.608 -9.335 21.879 1.00 0.00 N ATOM 1696 CD2 HIS A 111 -8.376 -9.322 22.120 1.00 0.00 C ATOM 1697 CE1 HIS A 111 -10.244 -10.391 22.621 1.00 0.00 C ATOM 1698 NE2 HIS A 111 -8.908 -10.408 22.782 1.00 0.00 N ATOM 0 H HIS A 111 -7.756 -9.179 18.919 1.00 0.00 H new ATOM 0 HA HIS A 111 -8.596 -6.431 18.982 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -9.120 -6.548 21.462 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -10.361 -7.146 20.378 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -7.332 -9.052 22.058 1.00 0.00 H new ATOM 0 HE1 HIS A 111 -10.925 -11.123 23.030 1.00 0.00 H new ATOM 0 HE2 HIS A 111 -8.379 -11.106 23.305 1.00 0.00 H new ATOM 1706 N HIS A 112 -6.584 -5.937 20.608 1.00 0.00 N ATOM 1707 CA HIS A 112 -5.312 -5.655 21.299 1.00 0.00 C ATOM 1708 C HIS A 112 -5.216 -6.339 22.675 1.00 0.00 C ATOM 1709 O HIS A 112 -4.141 -6.792 23.078 1.00 0.00 O ATOM 1710 CB HIS A 112 -5.142 -4.133 21.448 1.00 0.00 C ATOM 1711 CG HIS A 112 -6.165 -3.487 22.363 1.00 0.00 C ATOM 1712 ND1 HIS A 112 -7.551 -3.493 22.167 1.00 0.00 N ATOM 1713 CD2 HIS A 112 -5.892 -2.892 23.560 1.00 0.00 C ATOM 1714 CE1 HIS A 112 -8.078 -2.894 23.249 1.00 0.00 C ATOM 1715 NE2 HIS A 112 -7.106 -2.519 24.100 1.00 0.00 N ATOM 0 H HIS A 112 -7.198 -5.124 20.550 1.00 0.00 H new ATOM 0 HA HIS A 112 -4.508 -6.068 20.690 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -4.143 -3.925 21.831 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -5.208 -3.672 20.463 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -4.917 -2.742 23.999 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -9.134 -2.736 23.412 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -7.243 -2.041 24.991 1.00 0.00 H new ATOM 1723 N HIS A 113 -6.345 -6.429 23.385 1.00 0.00 N ATOM 1724 CA HIS A 113 -6.517 -7.086 24.686 1.00 0.00 C ATOM 1725 C HIS A 113 -7.998 -7.443 24.918 1.00 0.00 C ATOM 1726 O HIS A 113 -8.891 -6.872 24.283 1.00 0.00 O ATOM 1727 CB HIS A 113 -6.018 -6.158 25.808 1.00 0.00 C ATOM 1728 CG HIS A 113 -6.039 -6.787 27.178 1.00 0.00 C ATOM 1729 ND1 HIS A 113 -5.615 -8.084 27.491 1.00 0.00 N ATOM 1730 CD2 HIS A 113 -6.535 -6.204 28.309 1.00 0.00 C ATOM 1731 CE1 HIS A 113 -5.857 -8.247 28.804 1.00 0.00 C ATOM 1732 NE2 HIS A 113 -6.417 -7.138 29.315 1.00 0.00 N ATOM 0 H HIS A 113 -7.216 -6.021 23.047 1.00 0.00 H new ATOM 0 HA HIS A 113 -5.933 -8.006 24.694 1.00 0.00 H new ATOM 0 HB2 HIS A 113 -5.000 -5.843 25.579 1.00 0.00 H new ATOM 0 HB3 HIS A 113 -6.634 -5.259 25.823 1.00 0.00 H new ATOM 0 HD2 HIS A 113 -6.940 -5.207 28.397 1.00 0.00 H new ATOM 0 HE1 HIS A 113 -5.633 -9.141 29.367 1.00 0.00 H new ATOM 0 HE2 HIS A 113 -6.706 -7.009 30.285 1.00 0.00 H new ATOM 1740 N HIS A 114 -8.263 -8.376 25.834 1.00 0.00 N ATOM 1741 CA HIS A 114 -9.617 -8.777 26.239 1.00 0.00 C ATOM 1742 C HIS A 114 -10.416 -7.625 26.885 1.00 0.00 C ATOM 1743 O HIS A 114 -9.852 -6.633 27.359 1.00 0.00 O ATOM 1744 CB HIS A 114 -9.519 -9.999 27.167 1.00 0.00 C ATOM 1745 CG HIS A 114 -10.860 -10.638 27.440 1.00 0.00 C ATOM 1746 ND1 HIS A 114 -11.843 -10.905 26.477 1.00 0.00 N ATOM 1747 CD2 HIS A 114 -11.339 -10.994 28.670 1.00 0.00 C ATOM 1748 CE1 HIS A 114 -12.883 -11.424 27.152 1.00 0.00 C ATOM 1749 NE2 HIS A 114 -12.609 -11.489 28.465 1.00 0.00 N ATOM 0 H HIS A 114 -7.530 -8.886 26.327 1.00 0.00 H new ATOM 0 HA HIS A 114 -10.178 -9.046 25.344 1.00 0.00 H new ATOM 0 HB2 HIS A 114 -8.855 -10.738 26.718 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -9.067 -9.696 28.112 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -10.824 -10.905 29.615 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -13.811 -11.744 26.701 1.00 0.00 H new ATOM 0 HE2 HIS A 114 -13.235 -11.844 29.188 1.00 0.00 H new ATOM 1757 N HIS A 115 -11.745 -7.758 26.912 1.00 0.00 N ATOM 1758 CA HIS A 115 -12.696 -6.698 27.276 1.00 0.00 C ATOM 1759 C HIS A 115 -13.953 -7.250 27.973 1.00 0.00 C ATOM 1760 O HIS A 115 -14.207 -8.461 27.980 1.00 0.00 O ATOM 1761 CB HIS A 115 -13.051 -5.899 26.009 1.00 0.00 C ATOM 1762 CG HIS A 115 -13.510 -6.753 24.847 1.00 0.00 C ATOM 1763 ND1 HIS A 115 -14.822 -7.171 24.600 1.00 0.00 N ATOM 1764 CD2 HIS A 115 -12.695 -7.275 23.884 1.00 0.00 C ATOM 1765 CE1 HIS A 115 -14.761 -7.944 23.499 1.00 0.00 C ATOM 1766 NE2 HIS A 115 -13.495 -8.019 23.049 1.00 0.00 N ATOM 0 H HIS A 115 -12.207 -8.636 26.673 1.00 0.00 H new ATOM 0 HA HIS A 115 -12.225 -6.038 28.004 1.00 0.00 H new ATOM 0 HB2 HIS A 115 -13.836 -5.183 26.252 1.00 0.00 H new ATOM 0 HB3 HIS A 115 -12.179 -5.323 25.700 1.00 0.00 H new ATOM 0 HD2 HIS A 115 -11.628 -7.131 23.795 1.00 0.00 H new ATOM 0 HE1 HIS A 115 -15.608 -8.434 23.042 1.00 0.00 H new ATOM 0 HE2 HIS A 115 -13.182 -8.539 22.229 1.00 0.00 H new ATOM 1774 N HIS A 116 -14.741 -6.349 28.579 1.00 0.00 N ATOM 1775 CA HIS A 116 -15.867 -6.656 29.482 1.00 0.00 C ATOM 1776 C HIS A 116 -17.068 -5.724 29.253 1.00 0.00 C ATOM 1777 O HIS A 116 -16.868 -4.495 29.101 1.00 0.00 O ATOM 1778 CB HIS A 116 -15.376 -6.575 30.943 1.00 0.00 C ATOM 1779 CG HIS A 116 -14.201 -7.467 31.268 1.00 0.00 C ATOM 1780 ND1 HIS A 116 -12.861 -7.069 31.297 1.00 0.00 N ATOM 1781 CD2 HIS A 116 -14.269 -8.795 31.568 1.00 0.00 C ATOM 1782 CE1 HIS A 116 -12.153 -8.170 31.610 1.00 0.00 C ATOM 1783 NE2 HIS A 116 -12.974 -9.220 31.779 1.00 0.00 N ATOM 1784 OXT HIS A 116 -18.211 -6.235 29.225 1.00 0.00 O ATOM 0 H HIS A 116 -14.608 -5.346 28.450 1.00 0.00 H new ATOM 0 HA HIS A 116 -16.216 -7.666 29.266 1.00 0.00 H new ATOM 0 HB2 HIS A 116 -15.102 -5.543 31.163 1.00 0.00 H new ATOM 0 HB3 HIS A 116 -16.203 -6.833 31.604 1.00 0.00 H new ATOM 0 HD2 HIS A 116 -15.163 -9.397 31.629 1.00 0.00 H new ATOM 0 HE1 HIS A 116 -11.078 -8.205 31.711 1.00 0.00 H new ATOM 0 HE2 HIS A 116 -12.689 -10.169 32.022 1.00 0.00 H new TER 1792 HIS A 116