USER MOD reduce.3.24.130724 H: found=0, std=0, add=946, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 938 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 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 81 HIS : no HE2:sc= -1.97 K(o=-2,f=-5.4!) USER MOD Set 2.1: A 57 THR OG1 : rot -76:sc= 0.241 USER MOD Set 2.2: A 94 THR OG1 : rot 103:sc= 0.252 USER MOD Single : A 1 GLY N :NH3+ -152:sc= 0.00375 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.162 USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.0064) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -177:sc= 0 (180deg=-0.0068) USER MOD Single : A 20 ASN : amide:sc= -0.224 X(o=-0.22,f=-0.12) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.03) USER MOD Single : A 27 ASN : amide:sc= -0.188 K(o=-0.19,f=-0.71) USER MOD Single : A 28 SER OG : rot 180:sc= 0.0344 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HE2:sc= -0.437 K(o=-0.44,f=-1.3) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -23:sc= 0.375 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 GLN : amide:sc= -0.302 X(o=-0.3,f=-0.29) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0509) USER MOD Single : A 58 GLN : amide:sc= -0.123 K(o=-0.12,f=-0.67) USER MOD Single : A 59 SER OG : rot 77:sc= 0.684 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 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc=-0.00784 X(o=-0.0078,f=0) USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0.0573 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.0105 USER MOD Single : A 83 MET CE :methyl -155:sc= -0.531 (180deg=-2.21) USER MOD Single : A 91 SER OG : rot 76:sc= 1.06 USER MOD Single : A 92 HIS : no HD1:sc= -0.317 X(o=-0.32,f=-0.56) USER MOD Single : A 93 TYR OH : rot 15:sc= 0.332 USER MOD Single : A 96 ASN : amide:sc= 1.56 K(o=1.6,f=-3!) USER MOD Single : A 101 ASN : amide:sc= 0.452 K(o=0.45,f=-8.4!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 93:sc= 0.157 USER MOD Single : A 115 ASN : amide:sc= -0.0758 X(o=-0.076,f=-0.38) USER MOD Single : A 116 THR OG1 : rot 169:sc= 1.81 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot -71:sc= 1.24 USER MOD Single : A 124 SER OG : rot 12:sc= 0.461 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.315 -20.198 -11.923 1.00 0.00 N ATOM 2 CA GLY A 1 -9.963 -20.872 -13.180 1.00 0.00 C ATOM 3 C GLY A 1 -9.459 -22.270 -12.874 1.00 0.00 C ATOM 4 O GLY A 1 -10.147 -23.009 -12.166 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.060 -19.495 -12.103 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.660 -20.900 -11.237 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.475 -19.721 -11.538 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.832 -20.922 -13.835 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.197 -20.304 -13.709 1.00 0.00 H new ATOM 8 N SER A 2 -8.293 -22.655 -13.397 1.00 0.00 N ATOM 9 CA SER A 2 -7.732 -23.995 -13.268 1.00 0.00 C ATOM 10 C SER A 2 -6.220 -23.947 -12.989 1.00 0.00 C ATOM 11 O SER A 2 -5.406 -24.115 -13.907 1.00 0.00 O ATOM 12 CB SER A 2 -8.112 -24.826 -14.507 1.00 0.00 C ATOM 13 OG SER A 2 -7.930 -24.105 -15.718 1.00 0.00 O ATOM 0 H SER A 2 -7.700 -22.024 -13.936 1.00 0.00 H new ATOM 0 HA SER A 2 -8.161 -24.495 -12.400 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.508 -25.733 -14.533 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.153 -25.139 -14.426 1.00 0.00 H new ATOM 0 HG SER A 2 -8.182 -24.672 -16.477 1.00 0.00 H new ATOM 19 N SER A 3 -5.824 -23.806 -11.723 1.00 0.00 N ATOM 20 CA SER A 3 -4.457 -24.028 -11.253 1.00 0.00 C ATOM 21 C SER A 3 -4.448 -25.227 -10.306 1.00 0.00 C ATOM 22 O SER A 3 -5.392 -25.437 -9.544 1.00 0.00 O ATOM 23 CB SER A 3 -3.927 -22.790 -10.516 1.00 0.00 C ATOM 24 OG SER A 3 -3.559 -21.757 -11.414 1.00 0.00 O ATOM 0 H SER A 3 -6.462 -23.527 -10.978 1.00 0.00 H new ATOM 0 HA SER A 3 -3.813 -24.219 -12.112 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.690 -22.421 -9.831 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.064 -23.069 -9.911 1.00 0.00 H new ATOM 0 HG SER A 3 -3.228 -20.986 -10.908 1.00 0.00 H new ATOM 30 N GLY A 4 -3.354 -25.990 -10.311 1.00 0.00 N ATOM 31 CA GLY A 4 -3.001 -26.877 -9.218 1.00 0.00 C ATOM 32 C GLY A 4 -1.783 -26.277 -8.543 1.00 0.00 C ATOM 33 O GLY A 4 -1.921 -25.331 -7.769 1.00 0.00 O ATOM 0 H GLY A 4 -2.687 -26.005 -11.083 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.827 -26.970 -8.513 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.784 -27.879 -9.588 1.00 0.00 H new ATOM 37 N SER A 5 -0.593 -26.753 -8.912 1.00 0.00 N ATOM 38 CA SER A 5 0.718 -26.270 -8.490 1.00 0.00 C ATOM 39 C SER A 5 1.033 -26.486 -7.000 1.00 0.00 C ATOM 40 O SER A 5 2.058 -27.091 -6.689 1.00 0.00 O ATOM 41 CB SER A 5 0.931 -24.821 -8.964 1.00 0.00 C ATOM 42 OG SER A 5 1.656 -24.815 -10.185 1.00 0.00 O ATOM 0 H SER A 5 -0.517 -27.539 -9.557 1.00 0.00 H new ATOM 0 HA SER A 5 1.459 -26.897 -8.986 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.032 -24.328 -9.100 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.474 -24.257 -8.206 1.00 0.00 H new ATOM 0 HG SER A 5 1.787 -23.891 -10.483 1.00 0.00 H new ATOM 48 N SER A 6 0.169 -26.049 -6.083 1.00 0.00 N ATOM 49 CA SER A 6 0.319 -26.193 -4.640 1.00 0.00 C ATOM 50 C SER A 6 1.624 -25.582 -4.095 1.00 0.00 C ATOM 51 O SER A 6 2.371 -24.897 -4.804 1.00 0.00 O ATOM 52 CB SER A 6 0.098 -27.664 -4.255 1.00 0.00 C ATOM 53 OG SER A 6 -0.286 -27.781 -2.899 1.00 0.00 O ATOM 0 H SER A 6 -0.691 -25.564 -6.340 1.00 0.00 H new ATOM 0 HA SER A 6 -0.451 -25.601 -4.146 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.671 -28.099 -4.893 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.013 -28.230 -4.428 1.00 0.00 H new ATOM 0 HG SER A 6 -0.423 -28.726 -2.678 1.00 0.00 H new ATOM 59 N GLY A 7 1.855 -25.774 -2.799 1.00 0.00 N ATOM 60 CA GLY A 7 2.873 -25.142 -1.982 1.00 0.00 C ATOM 61 C GLY A 7 2.251 -24.941 -0.610 1.00 0.00 C ATOM 62 O GLY A 7 2.097 -25.908 0.136 1.00 0.00 O ATOM 0 H GLY A 7 1.289 -26.426 -2.256 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.764 -25.767 -1.918 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.182 -24.190 -2.413 1.00 0.00 H new ATOM 66 N HIS A 8 1.773 -23.722 -0.339 1.00 0.00 N ATOM 67 CA HIS A 8 1.023 -23.342 0.858 1.00 0.00 C ATOM 68 C HIS A 8 1.708 -23.876 2.128 1.00 0.00 C ATOM 69 O HIS A 8 1.216 -24.785 2.804 1.00 0.00 O ATOM 70 CB HIS A 8 -0.447 -23.763 0.687 1.00 0.00 C ATOM 71 CG HIS A 8 -1.429 -23.147 1.654 1.00 0.00 C ATOM 72 ND1 HIS A 8 -2.308 -23.846 2.450 1.00 0.00 N ATOM 73 CD2 HIS A 8 -1.736 -21.816 1.770 1.00 0.00 C ATOM 74 CE1 HIS A 8 -3.144 -22.958 3.015 1.00 0.00 C ATOM 75 NE2 HIS A 8 -2.847 -21.706 2.619 1.00 0.00 N ATOM 0 H HIS A 8 1.906 -22.939 -0.979 1.00 0.00 H new ATOM 0 HA HIS A 8 1.020 -22.260 0.986 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -0.760 -23.513 -0.327 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -0.507 -24.847 0.781 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.216 -20.999 1.293 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -3.944 -23.214 3.694 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -3.333 -20.849 2.883 1.00 0.00 H new ATOM 83 N SER A 9 2.887 -23.324 2.420 1.00 0.00 N ATOM 84 CA SER A 9 3.734 -23.663 3.557 1.00 0.00 C ATOM 85 C SER A 9 4.073 -22.374 4.315 1.00 0.00 C ATOM 86 O SER A 9 3.812 -21.268 3.829 1.00 0.00 O ATOM 87 CB SER A 9 4.982 -24.383 3.028 1.00 0.00 C ATOM 88 OG SER A 9 5.767 -24.959 4.056 1.00 0.00 O ATOM 0 H SER A 9 3.294 -22.592 1.838 1.00 0.00 H new ATOM 0 HA SER A 9 3.232 -24.332 4.255 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.676 -25.164 2.332 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.592 -23.676 2.466 1.00 0.00 H new ATOM 0 HG SER A 9 6.546 -25.405 3.662 1.00 0.00 H new ATOM 94 N GLY A 10 4.662 -22.494 5.499 1.00 0.00 N ATOM 95 CA GLY A 10 4.983 -21.382 6.381 1.00 0.00 C ATOM 96 C GLY A 10 4.815 -21.826 7.828 1.00 0.00 C ATOM 97 O GLY A 10 3.974 -22.681 8.120 1.00 0.00 O ATOM 0 H GLY A 10 4.938 -23.398 5.883 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.006 -21.048 6.207 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.331 -20.535 6.170 1.00 0.00 H new ATOM 101 N GLU A 11 5.597 -21.247 8.730 1.00 0.00 N ATOM 102 CA GLU A 11 5.568 -21.485 10.166 1.00 0.00 C ATOM 103 C GLU A 11 4.983 -20.252 10.839 1.00 0.00 C ATOM 104 O GLU A 11 4.019 -20.369 11.591 1.00 0.00 O ATOM 105 CB GLU A 11 6.984 -21.775 10.666 1.00 0.00 C ATOM 106 CG GLU A 11 7.367 -23.223 10.353 1.00 0.00 C ATOM 107 CD GLU A 11 7.037 -24.133 11.536 1.00 0.00 C ATOM 108 OE1 GLU A 11 5.838 -24.339 11.840 1.00 0.00 O ATOM 109 OE2 GLU A 11 7.985 -24.628 12.184 1.00 0.00 O ATOM 0 H GLU A 11 6.306 -20.563 8.465 1.00 0.00 H new ATOM 0 HA GLU A 11 4.949 -22.350 10.405 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.691 -21.093 10.193 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.042 -21.600 11.740 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.833 -23.563 9.466 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.432 -23.283 10.127 1.00 0.00 H new ATOM 116 N ASP A 12 5.510 -19.066 10.522 1.00 0.00 N ATOM 117 CA ASP A 12 5.027 -17.819 11.115 1.00 0.00 C ATOM 118 C ASP A 12 4.990 -16.673 10.103 1.00 0.00 C ATOM 119 O ASP A 12 4.730 -15.546 10.504 1.00 0.00 O ATOM 120 CB ASP A 12 5.858 -17.459 12.363 1.00 0.00 C ATOM 121 CG ASP A 12 4.979 -17.001 13.539 1.00 0.00 C ATOM 122 OD1 ASP A 12 4.137 -16.083 13.412 1.00 0.00 O ATOM 123 OD2 ASP A 12 5.167 -17.545 14.651 1.00 0.00 O ATOM 0 H ASP A 12 6.273 -18.945 9.856 1.00 0.00 H new ATOM 0 HA ASP A 12 3.996 -17.978 11.430 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.445 -18.325 12.668 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.564 -16.668 12.111 1.00 0.00 H new ATOM 128 N LEU A 13 5.249 -16.907 8.807 1.00 0.00 N ATOM 129 CA LEU A 13 4.923 -15.966 7.731 1.00 0.00 C ATOM 130 C LEU A 13 3.445 -16.049 7.332 1.00 0.00 C ATOM 131 O LEU A 13 2.831 -17.103 7.523 1.00 0.00 O ATOM 132 CB LEU A 13 5.742 -16.279 6.467 1.00 0.00 C ATOM 133 CG LEU A 13 7.204 -15.829 6.522 1.00 0.00 C ATOM 134 CD1 LEU A 13 7.847 -16.157 5.176 1.00 0.00 C ATOM 135 CD2 LEU A 13 7.351 -14.328 6.766 1.00 0.00 C ATOM 0 H LEU A 13 5.695 -17.763 8.477 1.00 0.00 H new ATOM 0 HA LEU A 13 5.154 -14.973 8.115 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.714 -17.354 6.290 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.262 -15.802 5.613 1.00 0.00 H new ATOM 0 HG LEU A 13 7.684 -16.348 7.352 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.892 -15.846 5.187 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.789 -17.231 4.997 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.319 -15.628 4.382 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.409 -14.066 6.795 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.863 -13.779 5.960 1.00 0.00 H new ATOM 0 HD23 LEU A 13 6.886 -14.067 7.717 1.00 0.00 H new ATOM 147 N PRO A 14 2.878 -14.985 6.728 1.00 0.00 N ATOM 148 CA PRO A 14 1.525 -15.021 6.201 1.00 0.00 C ATOM 149 C PRO A 14 1.448 -15.821 4.896 1.00 0.00 C ATOM 150 O PRO A 14 2.286 -15.674 4.006 1.00 0.00 O ATOM 151 CB PRO A 14 1.118 -13.567 5.953 1.00 0.00 C ATOM 152 CG PRO A 14 2.274 -12.714 6.478 1.00 0.00 C ATOM 153 CD PRO A 14 3.460 -13.671 6.489 1.00 0.00 C ATOM 0 HA PRO A 14 0.857 -15.513 6.908 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.948 -13.384 4.892 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.189 -13.327 6.471 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.460 -11.854 5.835 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.064 -12.327 7.475 1.00 0.00 H new ATOM 0 HD2 PRO A 14 3.999 -13.644 5.542 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.174 -13.407 7.269 1.00 0.00 H new ATOM 161 N MET A 15 0.385 -16.609 4.752 1.00 0.00 N ATOM 162 CA MET A 15 0.198 -17.571 3.674 1.00 0.00 C ATOM 163 C MET A 15 -0.550 -16.992 2.476 1.00 0.00 C ATOM 164 O MET A 15 -0.213 -17.315 1.334 1.00 0.00 O ATOM 165 CB MET A 15 -0.560 -18.786 4.224 1.00 0.00 C ATOM 166 CG MET A 15 0.244 -19.477 5.336 1.00 0.00 C ATOM 167 SD MET A 15 -0.221 -21.198 5.669 1.00 0.00 S ATOM 168 CE MET A 15 -1.956 -20.992 6.152 1.00 0.00 C ATOM 0 H MET A 15 -0.396 -16.593 5.407 1.00 0.00 H new ATOM 0 HA MET A 15 1.186 -17.857 3.312 1.00 0.00 H new ATOM 0 HB2 MET A 15 -1.528 -18.470 4.612 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.755 -19.493 3.418 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.301 -19.448 5.070 1.00 0.00 H new ATOM 0 HG3 MET A 15 0.131 -18.902 6.255 1.00 0.00 H new ATOM 0 HE1 MET A 15 -2.371 -21.958 6.440 1.00 0.00 H new ATOM 0 HE2 MET A 15 -2.020 -20.304 6.995 1.00 0.00 H new ATOM 0 HE3 MET A 15 -2.522 -20.590 5.312 1.00 0.00 H new ATOM 178 N VAL A 16 -1.559 -16.142 2.700 1.00 0.00 N ATOM 179 CA VAL A 16 -2.362 -15.559 1.624 1.00 0.00 C ATOM 180 C VAL A 16 -2.536 -14.054 1.844 1.00 0.00 C ATOM 181 O VAL A 16 -2.077 -13.497 2.846 1.00 0.00 O ATOM 182 CB VAL A 16 -3.692 -16.327 1.409 1.00 0.00 C ATOM 183 CG1 VAL A 16 -3.469 -17.812 1.092 1.00 0.00 C ATOM 184 CG2 VAL A 16 -4.704 -16.279 2.550 1.00 0.00 C ATOM 0 H VAL A 16 -1.840 -15.840 3.633 1.00 0.00 H new ATOM 0 HA VAL A 16 -1.824 -15.673 0.683 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.113 -15.780 0.566 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.432 -18.302 0.951 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -2.877 -17.905 0.181 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.939 -18.285 1.919 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.589 -16.853 2.276 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.259 -16.705 3.449 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.988 -15.244 2.741 1.00 0.00 H new ATOM 194 N ALA A 17 -3.156 -13.378 0.885 1.00 0.00 N ATOM 195 CA ALA A 17 -3.420 -11.963 0.813 1.00 0.00 C ATOM 196 C ALA A 17 -4.942 -11.749 0.778 1.00 0.00 C ATOM 197 O ALA A 17 -5.698 -12.682 0.476 1.00 0.00 O ATOM 198 CB ALA A 17 -2.745 -11.429 -0.458 1.00 0.00 C ATOM 0 H ALA A 17 -3.518 -13.862 0.063 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.024 -11.429 1.677 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.926 -10.357 -0.543 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.672 -11.613 -0.405 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.157 -11.937 -1.330 1.00 0.00 H new ATOM 204 N PRO A 18 -5.406 -10.524 1.062 1.00 0.00 N ATOM 205 CA PRO A 18 -6.819 -10.208 1.097 1.00 0.00 C ATOM 206 C PRO A 18 -7.448 -10.323 -0.286 1.00 0.00 C ATOM 207 O PRO A 18 -6.759 -10.320 -1.314 1.00 0.00 O ATOM 208 CB PRO A 18 -6.912 -8.821 1.743 1.00 0.00 C ATOM 209 CG PRO A 18 -5.571 -8.176 1.480 1.00 0.00 C ATOM 210 CD PRO A 18 -4.608 -9.354 1.354 1.00 0.00 C ATOM 0 HA PRO A 18 -7.400 -10.916 1.688 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.723 -8.237 1.308 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -7.111 -8.896 2.812 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.589 -7.577 0.570 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -5.282 -7.511 2.294 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -3.882 -9.175 0.561 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -4.045 -9.492 2.277 1.00 0.00 H new ATOM 218 N GLY A 19 -8.773 -10.431 -0.271 1.00 0.00 N ATOM 219 CA GLY A 19 -9.645 -10.752 -1.379 1.00 0.00 C ATOM 220 C GLY A 19 -9.765 -9.648 -2.423 1.00 0.00 C ATOM 221 O GLY A 19 -8.819 -8.912 -2.695 1.00 0.00 O ATOM 0 H GLY A 19 -9.300 -10.283 0.590 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.279 -11.657 -1.864 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.638 -10.978 -0.991 1.00 0.00 H new ATOM 225 N ASN A 20 -10.934 -9.543 -3.042 1.00 0.00 N ATOM 226 CA ASN A 20 -11.264 -8.585 -4.086 1.00 0.00 C ATOM 227 C ASN A 20 -11.312 -7.186 -3.473 1.00 0.00 C ATOM 228 O ASN A 20 -12.359 -6.768 -2.966 1.00 0.00 O ATOM 229 CB ASN A 20 -12.602 -9.002 -4.713 1.00 0.00 C ATOM 230 CG ASN A 20 -13.075 -8.125 -5.860 1.00 0.00 C ATOM 231 OD1 ASN A 20 -13.179 -8.569 -7.000 1.00 0.00 O ATOM 232 ND2 ASN A 20 -13.404 -6.882 -5.591 1.00 0.00 N ATOM 0 H ASN A 20 -11.717 -10.156 -2.817 1.00 0.00 H new ATOM 0 HA ASN A 20 -10.513 -8.569 -4.875 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -12.514 -10.027 -5.072 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -13.366 -9.001 -3.936 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -13.750 -6.274 -6.333 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -13.313 -6.525 -4.640 1.00 0.00 H new ATOM 239 N VAL A 21 -10.186 -6.481 -3.496 1.00 0.00 N ATOM 240 CA VAL A 21 -10.043 -5.112 -3.014 1.00 0.00 C ATOM 241 C VAL A 21 -10.947 -4.199 -3.850 1.00 0.00 C ATOM 242 O VAL A 21 -11.244 -4.490 -5.008 1.00 0.00 O ATOM 243 CB VAL A 21 -8.548 -4.725 -3.111 1.00 0.00 C ATOM 244 CG1 VAL A 21 -8.230 -3.293 -2.660 1.00 0.00 C ATOM 245 CG2 VAL A 21 -7.709 -5.667 -2.237 1.00 0.00 C ATOM 0 H VAL A 21 -9.315 -6.862 -3.865 1.00 0.00 H new ATOM 0 HA VAL A 21 -10.352 -5.009 -1.974 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.305 -4.804 -4.171 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.161 -3.109 -2.762 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.781 -2.586 -3.280 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.523 -3.166 -1.618 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.657 -5.390 -2.309 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.035 -5.588 -1.200 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -7.838 -6.693 -2.580 1.00 0.00 H new ATOM 255 N ARG A 22 -11.352 -3.063 -3.294 1.00 0.00 N ATOM 256 CA ARG A 22 -12.037 -1.973 -3.976 1.00 0.00 C ATOM 257 C ARG A 22 -11.333 -0.686 -3.573 1.00 0.00 C ATOM 258 O ARG A 22 -10.598 -0.662 -2.588 1.00 0.00 O ATOM 259 CB ARG A 22 -13.514 -1.920 -3.547 1.00 0.00 C ATOM 260 CG ARG A 22 -14.303 -3.225 -3.737 1.00 0.00 C ATOM 261 CD ARG A 22 -14.470 -3.595 -5.211 1.00 0.00 C ATOM 262 NE ARG A 22 -15.543 -4.585 -5.403 1.00 0.00 N ATOM 263 CZ ARG A 22 -16.515 -4.536 -6.322 1.00 0.00 C ATOM 264 NH1 ARG A 22 -16.636 -3.501 -7.150 1.00 0.00 N ATOM 265 NH2 ARG A 22 -17.363 -5.548 -6.414 1.00 0.00 N ATOM 0 H ARG A 22 -11.203 -2.868 -2.304 1.00 0.00 H new ATOM 0 HA ARG A 22 -12.008 -2.114 -5.056 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -13.559 -1.638 -2.495 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -14.010 -1.130 -4.111 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.791 -4.035 -3.218 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -15.286 -3.122 -3.277 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -14.694 -2.698 -5.789 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.532 -3.995 -5.595 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.546 -5.388 -4.773 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.980 -2.722 -7.092 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -17.385 -3.486 -7.842 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.270 -6.349 -5.790 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -18.109 -5.526 -7.109 1.00 0.00 H new ATOM 279 N VAL A 23 -11.548 0.396 -4.303 1.00 0.00 N ATOM 280 CA VAL A 23 -11.043 1.708 -3.971 1.00 0.00 C ATOM 281 C VAL A 23 -12.094 2.721 -4.426 1.00 0.00 C ATOM 282 O VAL A 23 -12.807 2.492 -5.408 1.00 0.00 O ATOM 283 CB VAL A 23 -9.602 1.876 -4.519 1.00 0.00 C ATOM 284 CG1 VAL A 23 -9.188 0.907 -5.624 1.00 0.00 C ATOM 285 CG2 VAL A 23 -9.201 3.299 -4.884 1.00 0.00 C ATOM 0 H VAL A 23 -12.094 0.380 -5.165 1.00 0.00 H new ATOM 0 HA VAL A 23 -10.912 1.875 -2.902 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.029 1.598 -3.634 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.163 1.119 -5.928 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.253 -0.116 -5.254 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -9.852 1.026 -6.480 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.176 3.304 -5.256 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.870 3.679 -5.657 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.270 3.934 -4.001 1.00 0.00 H new ATOM 295 N ASN A 24 -12.225 3.793 -3.653 1.00 0.00 N ATOM 296 CA ASN A 24 -13.168 4.889 -3.780 1.00 0.00 C ATOM 297 C ASN A 24 -12.380 6.187 -3.858 1.00 0.00 C ATOM 298 O ASN A 24 -11.413 6.366 -3.109 1.00 0.00 O ATOM 299 CB ASN A 24 -14.080 4.914 -2.550 1.00 0.00 C ATOM 300 CG ASN A 24 -14.985 6.132 -2.578 1.00 0.00 C ATOM 301 OD1 ASN A 24 -15.685 6.343 -3.562 1.00 0.00 O ATOM 302 ND2 ASN A 24 -15.038 6.922 -1.523 1.00 0.00 N ATOM 0 H ASN A 24 -11.614 3.925 -2.847 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.778 4.767 -4.675 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -14.684 4.007 -2.520 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -13.476 4.925 -1.643 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -15.669 7.724 -1.517 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -14.448 6.731 -0.713 1.00 0.00 H new ATOM 309 N VAL A 25 -12.746 7.084 -4.758 1.00 0.00 N ATOM 310 CA VAL A 25 -12.098 8.380 -4.896 1.00 0.00 C ATOM 311 C VAL A 25 -12.881 9.366 -4.046 1.00 0.00 C ATOM 312 O VAL A 25 -13.976 9.801 -4.403 1.00 0.00 O ATOM 313 CB VAL A 25 -11.963 8.777 -6.367 1.00 0.00 C ATOM 314 CG1 VAL A 25 -11.424 10.203 -6.501 1.00 0.00 C ATOM 315 CG2 VAL A 25 -10.962 7.850 -7.066 1.00 0.00 C ATOM 0 H VAL A 25 -13.508 6.933 -5.420 1.00 0.00 H new ATOM 0 HA VAL A 25 -11.070 8.359 -4.534 1.00 0.00 H new ATOM 0 HB VAL A 25 -12.953 8.704 -6.818 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -11.337 10.461 -7.556 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -12.107 10.898 -6.012 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.443 10.267 -6.030 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -10.870 8.137 -8.113 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.990 7.932 -6.580 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.314 6.820 -7.002 1.00 0.00 H new ATOM 325 N VAL A 26 -12.316 9.658 -2.886 1.00 0.00 N ATOM 326 CA VAL A 26 -12.858 10.550 -1.879 1.00 0.00 C ATOM 327 C VAL A 26 -12.764 11.988 -2.370 1.00 0.00 C ATOM 328 O VAL A 26 -13.788 12.658 -2.506 1.00 0.00 O ATOM 329 CB VAL A 26 -12.208 10.269 -0.512 1.00 0.00 C ATOM 330 CG1 VAL A 26 -12.756 8.950 0.028 1.00 0.00 C ATOM 331 CG2 VAL A 26 -10.740 10.064 -0.578 1.00 0.00 C ATOM 0 H VAL A 26 -11.420 9.257 -2.609 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.921 10.368 -1.719 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.430 11.141 0.104 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.304 8.738 0.997 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -13.838 9.024 0.141 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.518 8.145 -0.668 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.354 9.871 0.423 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.520 9.212 -1.222 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -10.266 10.958 -0.984 1.00 0.00 H new ATOM 341 N ASN A 27 -11.541 12.425 -2.660 1.00 0.00 N ATOM 342 CA ASN A 27 -11.213 13.803 -3.043 1.00 0.00 C ATOM 343 C ASN A 27 -10.324 13.827 -4.296 1.00 0.00 C ATOM 344 O ASN A 27 -10.037 12.779 -4.867 1.00 0.00 O ATOM 345 CB ASN A 27 -10.487 14.517 -1.894 1.00 0.00 C ATOM 346 CG ASN A 27 -11.155 14.484 -0.524 1.00 0.00 C ATOM 347 OD1 ASN A 27 -12.347 14.256 -0.356 1.00 0.00 O ATOM 348 ND2 ASN A 27 -10.373 14.699 0.512 1.00 0.00 N ATOM 0 H ASN A 27 -10.724 11.815 -2.635 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.147 14.320 -3.262 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.494 14.078 -1.797 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.348 15.560 -2.178 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -10.759 14.676 1.456 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -9.381 14.889 0.371 1.00 0.00 H new ATOM 355 N SER A 28 -9.825 15.002 -4.714 1.00 0.00 N ATOM 356 CA SER A 28 -8.845 15.073 -5.806 1.00 0.00 C ATOM 357 C SER A 28 -7.537 14.349 -5.502 1.00 0.00 C ATOM 358 O SER A 28 -6.958 13.734 -6.395 1.00 0.00 O ATOM 359 CB SER A 28 -8.544 16.509 -6.257 1.00 0.00 C ATOM 360 OG SER A 28 -8.809 17.498 -5.270 1.00 0.00 O ATOM 0 H SER A 28 -10.082 15.906 -4.316 1.00 0.00 H new ATOM 0 HA SER A 28 -9.334 14.550 -6.628 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.496 16.574 -6.548 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.136 16.730 -7.145 1.00 0.00 H new ATOM 0 HG SER A 28 -8.592 18.384 -5.628 1.00 0.00 H new ATOM 366 N THR A 29 -7.048 14.470 -4.270 1.00 0.00 N ATOM 367 CA THR A 29 -5.711 14.025 -3.883 1.00 0.00 C ATOM 368 C THR A 29 -5.760 13.148 -2.641 1.00 0.00 C ATOM 369 O THR A 29 -4.718 12.875 -2.038 1.00 0.00 O ATOM 370 CB THR A 29 -4.794 15.245 -3.720 1.00 0.00 C ATOM 371 OG1 THR A 29 -5.318 16.164 -2.781 1.00 0.00 O ATOM 372 CG2 THR A 29 -4.687 15.959 -5.065 1.00 0.00 C ATOM 0 H THR A 29 -7.576 14.885 -3.502 1.00 0.00 H new ATOM 0 HA THR A 29 -5.292 13.399 -4.671 1.00 0.00 H new ATOM 0 HB THR A 29 -3.823 14.896 -3.370 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.711 16.929 -2.698 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.038 16.829 -4.965 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.269 15.278 -5.806 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.678 16.281 -5.386 1.00 0.00 H new ATOM 380 N LEU A 30 -6.969 12.720 -2.270 1.00 0.00 N ATOM 381 CA LEU A 30 -7.217 11.723 -1.278 1.00 0.00 C ATOM 382 C LEU A 30 -7.983 10.664 -2.045 1.00 0.00 C ATOM 383 O LEU A 30 -8.932 10.985 -2.759 1.00 0.00 O ATOM 384 CB LEU A 30 -8.009 12.348 -0.123 1.00 0.00 C ATOM 385 CG LEU A 30 -8.064 11.501 1.149 1.00 0.00 C ATOM 386 CD1 LEU A 30 -6.683 11.097 1.673 1.00 0.00 C ATOM 387 CD2 LEU A 30 -8.821 12.321 2.187 1.00 0.00 C ATOM 0 H LEU A 30 -7.826 13.088 -2.683 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.330 11.297 -0.810 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.568 13.315 0.120 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.028 12.538 -0.461 1.00 0.00 H new ATOM 0 HG LEU A 30 -8.566 10.558 0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.798 10.498 2.577 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.163 10.513 0.914 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.105 11.992 1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.888 11.758 3.118 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.293 13.257 2.367 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.825 12.535 1.820 1.00 0.00 H new ATOM 399 N ALA A 31 -7.589 9.416 -1.889 1.00 0.00 N ATOM 400 CA ALA A 31 -8.316 8.247 -2.344 1.00 0.00 C ATOM 401 C ALA A 31 -8.487 7.354 -1.112 1.00 0.00 C ATOM 402 O ALA A 31 -7.814 7.562 -0.102 1.00 0.00 O ATOM 403 CB ALA A 31 -7.520 7.603 -3.475 1.00 0.00 C ATOM 0 H ALA A 31 -6.715 9.178 -1.421 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.303 8.463 -2.752 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.048 6.720 -3.834 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.407 8.316 -4.292 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -6.536 7.313 -3.108 1.00 0.00 H new ATOM 409 N GLU A 32 -9.359 6.355 -1.162 1.00 0.00 N ATOM 410 CA GLU A 32 -9.580 5.419 -0.079 1.00 0.00 C ATOM 411 C GLU A 32 -9.642 4.017 -0.686 1.00 0.00 C ATOM 412 O GLU A 32 -10.195 3.837 -1.765 1.00 0.00 O ATOM 413 CB GLU A 32 -10.860 5.828 0.662 1.00 0.00 C ATOM 414 CG GLU A 32 -11.072 4.896 1.856 1.00 0.00 C ATOM 415 CD GLU A 32 -11.780 5.504 3.064 1.00 0.00 C ATOM 416 OE1 GLU A 32 -12.673 6.367 2.897 1.00 0.00 O ATOM 417 OE2 GLU A 32 -11.411 5.122 4.201 1.00 0.00 O ATOM 0 H GLU A 32 -9.943 6.173 -1.978 1.00 0.00 H new ATOM 0 HA GLU A 32 -8.776 5.424 0.657 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.783 6.861 1.001 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.716 5.776 -0.011 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.647 4.033 1.520 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.099 4.525 2.179 1.00 0.00 H new ATOM 424 N VAL A 33 -9.049 3.024 -0.036 1.00 0.00 N ATOM 425 CA VAL A 33 -8.909 1.656 -0.513 1.00 0.00 C ATOM 426 C VAL A 33 -9.523 0.773 0.558 1.00 0.00 C ATOM 427 O VAL A 33 -9.348 1.061 1.741 1.00 0.00 O ATOM 428 CB VAL A 33 -7.422 1.318 -0.708 1.00 0.00 C ATOM 429 CG1 VAL A 33 -7.271 -0.087 -1.300 1.00 0.00 C ATOM 430 CG2 VAL A 33 -6.708 2.324 -1.617 1.00 0.00 C ATOM 0 H VAL A 33 -8.632 3.159 0.885 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.403 1.510 -1.473 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.957 1.365 0.277 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.213 -0.314 -1.433 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -7.716 -0.817 -0.624 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.776 -0.131 -2.265 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.661 2.040 -1.722 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.183 2.329 -2.598 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.772 3.320 -1.178 1.00 0.00 H new ATOM 440 N HIS A 34 -10.201 -0.296 0.150 1.00 0.00 N ATOM 441 CA HIS A 34 -10.980 -1.159 1.022 1.00 0.00 C ATOM 442 C HIS A 34 -10.697 -2.609 0.648 1.00 0.00 C ATOM 443 O HIS A 34 -10.918 -3.005 -0.500 1.00 0.00 O ATOM 444 CB HIS A 34 -12.471 -0.852 0.853 1.00 0.00 C ATOM 445 CG HIS A 34 -12.867 0.592 1.015 1.00 0.00 C ATOM 446 ND1 HIS A 34 -13.566 1.126 2.070 1.00 0.00 N ATOM 447 CD2 HIS A 34 -12.782 1.551 0.045 1.00 0.00 C ATOM 448 CE1 HIS A 34 -13.897 2.385 1.742 1.00 0.00 C ATOM 449 NE2 HIS A 34 -13.499 2.662 0.487 1.00 0.00 N ATOM 0 H HIS A 34 -10.222 -0.591 -0.826 1.00 0.00 H new ATOM 0 HA HIS A 34 -10.706 -0.988 2.063 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -12.781 -1.185 -0.138 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -13.029 -1.445 1.578 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -13.793 0.652 2.944 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -12.255 1.464 -0.894 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -14.410 3.077 2.393 1.00 0.00 H new ATOM 457 N TRP A 35 -10.233 -3.408 1.597 1.00 0.00 N ATOM 458 CA TRP A 35 -9.865 -4.803 1.435 1.00 0.00 C ATOM 459 C TRP A 35 -10.633 -5.661 2.440 1.00 0.00 C ATOM 460 O TRP A 35 -11.505 -5.170 3.159 1.00 0.00 O ATOM 461 CB TRP A 35 -8.344 -4.932 1.558 1.00 0.00 C ATOM 462 CG TRP A 35 -7.737 -4.445 2.838 1.00 0.00 C ATOM 463 CD1 TRP A 35 -7.560 -5.174 3.963 1.00 0.00 C ATOM 464 CD2 TRP A 35 -7.256 -3.103 3.149 1.00 0.00 C ATOM 465 NE1 TRP A 35 -7.001 -4.373 4.939 1.00 0.00 N ATOM 466 CE2 TRP A 35 -6.774 -3.090 4.490 1.00 0.00 C ATOM 467 CE3 TRP A 35 -7.211 -1.885 2.439 1.00 0.00 C ATOM 468 CZ2 TRP A 35 -6.243 -1.935 5.088 1.00 0.00 C ATOM 469 CZ3 TRP A 35 -6.693 -0.719 3.029 1.00 0.00 C ATOM 470 CH2 TRP A 35 -6.183 -0.748 4.340 1.00 0.00 C ATOM 0 H TRP A 35 -10.096 -3.080 2.553 1.00 0.00 H new ATOM 0 HA TRP A 35 -10.141 -5.170 0.446 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.079 -5.982 1.431 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -7.887 -4.386 0.733 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -7.815 -6.217 4.080 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -6.782 -4.693 5.882 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -7.581 -1.848 1.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -5.886 -1.960 6.107 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -6.686 0.206 2.472 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -5.746 0.141 4.770 1.00 0.00 H new ATOM 481 N ASP A 36 -10.373 -6.962 2.429 1.00 0.00 N ATOM 482 CA ASP A 36 -11.104 -7.963 3.195 1.00 0.00 C ATOM 483 C ASP A 36 -10.232 -8.445 4.365 1.00 0.00 C ATOM 484 O ASP A 36 -9.032 -8.642 4.170 1.00 0.00 O ATOM 485 CB ASP A 36 -11.580 -9.088 2.261 1.00 0.00 C ATOM 486 CG ASP A 36 -11.152 -10.489 2.683 1.00 0.00 C ATOM 487 OD1 ASP A 36 -11.766 -11.052 3.616 1.00 0.00 O ATOM 488 OD2 ASP A 36 -10.255 -11.045 2.012 1.00 0.00 O ATOM 0 H ASP A 36 -9.622 -7.363 1.867 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.005 -7.538 3.636 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -12.668 -9.057 2.202 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.201 -8.894 1.258 1.00 0.00 H new ATOM 493 N PRO A 37 -10.782 -8.574 5.583 1.00 0.00 N ATOM 494 CA PRO A 37 -10.045 -9.028 6.752 1.00 0.00 C ATOM 495 C PRO A 37 -9.816 -10.534 6.676 1.00 0.00 C ATOM 496 O PRO A 37 -10.721 -11.324 6.979 1.00 0.00 O ATOM 497 CB PRO A 37 -10.885 -8.641 7.965 1.00 0.00 C ATOM 498 CG PRO A 37 -12.312 -8.523 7.418 1.00 0.00 C ATOM 499 CD PRO A 37 -12.154 -8.244 5.925 1.00 0.00 C ATOM 0 HA PRO A 37 -9.058 -8.569 6.815 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.821 -9.395 8.750 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.547 -7.700 8.399 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.875 -9.441 7.588 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.857 -7.719 7.912 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.853 -8.844 5.343 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -12.368 -7.199 5.702 1.00 0.00 H new ATOM 507 N VAL A 38 -8.612 -10.925 6.270 1.00 0.00 N ATOM 508 CA VAL A 38 -8.266 -12.331 6.080 1.00 0.00 C ATOM 509 C VAL A 38 -8.282 -13.112 7.405 1.00 0.00 C ATOM 510 O VAL A 38 -8.260 -12.498 8.481 1.00 0.00 O ATOM 511 CB VAL A 38 -6.926 -12.469 5.334 1.00 0.00 C ATOM 512 CG1 VAL A 38 -7.079 -11.985 3.902 1.00 0.00 C ATOM 513 CG2 VAL A 38 -5.770 -11.702 5.972 1.00 0.00 C ATOM 0 H VAL A 38 -7.850 -10.279 6.064 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.035 -12.782 5.454 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.677 -13.529 5.381 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -6.127 -12.086 3.380 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.836 -12.583 3.395 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.384 -10.938 3.902 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.865 -11.853 5.384 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.011 -10.639 6.001 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.608 -12.065 6.987 1.00 0.00 H new ATOM 523 N PRO A 39 -8.342 -14.453 7.351 1.00 0.00 N ATOM 524 CA PRO A 39 -8.340 -15.296 8.534 1.00 0.00 C ATOM 525 C PRO A 39 -7.053 -15.105 9.339 1.00 0.00 C ATOM 526 O PRO A 39 -5.968 -14.915 8.785 1.00 0.00 O ATOM 527 CB PRO A 39 -8.464 -16.738 8.020 1.00 0.00 C ATOM 528 CG PRO A 39 -9.053 -16.584 6.623 1.00 0.00 C ATOM 529 CD PRO A 39 -8.448 -15.271 6.153 1.00 0.00 C ATOM 0 HA PRO A 39 -9.160 -15.044 9.207 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -7.495 -17.236 7.992 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.111 -17.336 8.662 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.777 -17.414 5.973 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -10.142 -16.544 6.644 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.471 -15.428 5.695 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -9.078 -14.792 5.403 1.00 0.00 H new ATOM 537 N LEU A 40 -7.133 -15.283 10.657 1.00 0.00 N ATOM 538 CA LEU A 40 -5.934 -15.383 11.485 1.00 0.00 C ATOM 539 C LEU A 40 -5.136 -16.627 11.086 1.00 0.00 C ATOM 540 O LEU A 40 -3.915 -16.639 11.228 1.00 0.00 O ATOM 541 CB LEU A 40 -6.276 -15.400 12.985 1.00 0.00 C ATOM 542 CG LEU A 40 -6.680 -14.045 13.603 1.00 0.00 C ATOM 543 CD1 LEU A 40 -5.631 -12.948 13.370 1.00 0.00 C ATOM 544 CD2 LEU A 40 -8.048 -13.539 13.128 1.00 0.00 C ATOM 0 H LEU A 40 -8.011 -15.360 11.171 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.322 -14.498 11.312 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.091 -16.106 13.143 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -5.413 -15.782 13.530 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.746 -14.251 14.671 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.969 -12.018 13.827 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.684 -13.249 13.818 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.494 -12.797 12.299 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.267 -12.583 13.603 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.033 -13.412 12.046 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.817 -14.263 13.398 1.00 0.00 H new ATOM 556 N LYS A 41 -5.796 -17.643 10.519 1.00 0.00 N ATOM 557 CA LYS A 41 -5.138 -18.820 9.975 1.00 0.00 C ATOM 558 C LYS A 41 -4.117 -18.468 8.907 1.00 0.00 C ATOM 559 O LYS A 41 -2.981 -18.922 9.009 1.00 0.00 O ATOM 560 CB LYS A 41 -6.163 -19.845 9.447 1.00 0.00 C ATOM 561 CG LYS A 41 -5.920 -21.205 10.104 1.00 0.00 C ATOM 562 CD LYS A 41 -6.446 -21.225 11.543 1.00 0.00 C ATOM 563 CE LYS A 41 -5.761 -22.350 12.321 1.00 0.00 C ATOM 564 NZ LYS A 41 -6.546 -22.727 13.505 1.00 0.00 N ATOM 0 H LYS A 41 -6.812 -17.665 10.428 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.593 -19.282 10.798 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.176 -19.503 9.660 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.078 -19.933 8.364 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -6.411 -21.986 9.523 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.853 -21.429 10.100 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.254 -20.266 12.025 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.526 -21.372 11.545 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.632 -23.218 11.674 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.765 -22.031 12.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.060 -23.492 14.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.647 -21.903 14.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -7.488 -23.053 13.208 1.00 0.00 H new ATOM 578 N SER A 42 -4.481 -17.675 7.898 1.00 0.00 N ATOM 579 CA SER A 42 -3.532 -17.318 6.857 1.00 0.00 C ATOM 580 C SER A 42 -2.419 -16.447 7.429 1.00 0.00 C ATOM 581 O SER A 42 -1.280 -16.567 6.994 1.00 0.00 O ATOM 582 CB SER A 42 -4.244 -16.635 5.698 1.00 0.00 C ATOM 583 OG SER A 42 -4.914 -15.458 6.075 1.00 0.00 O ATOM 0 H SER A 42 -5.413 -17.276 7.785 1.00 0.00 H new ATOM 0 HA SER A 42 -3.073 -18.227 6.469 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.516 -16.398 4.922 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.961 -17.330 5.261 1.00 0.00 H new ATOM 0 HG SER A 42 -5.110 -15.486 7.035 1.00 0.00 H new ATOM 589 N ILE A 43 -2.730 -15.596 8.410 1.00 0.00 N ATOM 590 CA ILE A 43 -1.759 -14.758 9.101 1.00 0.00 C ATOM 591 C ILE A 43 -0.788 -15.626 9.921 1.00 0.00 C ATOM 592 O ILE A 43 0.324 -15.183 10.204 1.00 0.00 O ATOM 593 CB ILE A 43 -2.533 -13.724 9.957 1.00 0.00 C ATOM 594 CG1 ILE A 43 -3.354 -12.780 9.041 1.00 0.00 C ATOM 595 CG2 ILE A 43 -1.579 -12.925 10.862 1.00 0.00 C ATOM 596 CD1 ILE A 43 -4.431 -11.963 9.767 1.00 0.00 C ATOM 0 H ILE A 43 -3.684 -15.471 8.749 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.138 -14.210 8.392 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.223 -14.263 10.606 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.670 -12.093 8.543 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.831 -13.375 8.262 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -2.151 -12.208 11.450 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.055 -13.608 11.531 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.854 -12.393 10.246 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.955 -11.332 9.049 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.142 -12.639 10.242 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.963 -11.337 10.527 1.00 0.00 H new ATOM 608 N ARG A 44 -1.192 -16.841 10.301 1.00 0.00 N ATOM 609 CA ARG A 44 -0.528 -17.807 11.175 1.00 0.00 C ATOM 610 C ARG A 44 -0.245 -17.349 12.603 1.00 0.00 C ATOM 611 O ARG A 44 -0.054 -18.216 13.454 1.00 0.00 O ATOM 612 CB ARG A 44 0.675 -18.472 10.495 1.00 0.00 C ATOM 613 CG ARG A 44 0.173 -19.529 9.494 1.00 0.00 C ATOM 614 CD ARG A 44 1.271 -20.502 9.079 1.00 0.00 C ATOM 615 NE ARG A 44 1.792 -21.267 10.227 1.00 0.00 N ATOM 616 CZ ARG A 44 1.806 -22.588 10.433 1.00 0.00 C ATOM 617 NH1 ARG A 44 1.219 -23.430 9.590 1.00 0.00 N ATOM 618 NH2 ARG A 44 2.413 -23.061 11.510 1.00 0.00 N ATOM 0 H ARG A 44 -2.084 -17.208 9.969 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.283 -18.578 11.329 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.276 -17.723 9.980 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.318 -18.938 11.242 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.652 -20.085 9.939 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.220 -19.030 8.609 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.881 -21.192 8.330 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.086 -19.951 8.610 1.00 0.00 H new ATOM 0 HE ARG A 44 2.202 -20.706 10.974 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.743 -23.073 8.762 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.245 -24.433 9.771 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.860 -22.421 12.166 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.434 -24.066 11.684 1.00 0.00 H new ATOM 632 N GLY A 45 -0.341 -16.066 12.927 1.00 0.00 N ATOM 633 CA GLY A 45 -0.142 -15.571 14.281 1.00 0.00 C ATOM 634 C GLY A 45 -0.867 -14.254 14.488 1.00 0.00 C ATOM 635 O GLY A 45 -2.060 -14.280 14.802 1.00 0.00 O ATOM 0 H GLY A 45 -0.561 -15.334 12.251 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.505 -16.307 14.999 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.923 -15.438 14.471 1.00 0.00 H new ATOM 639 N HIS A 46 -0.173 -13.129 14.300 1.00 0.00 N ATOM 640 CA HIS A 46 -0.650 -11.775 14.595 1.00 0.00 C ATOM 641 C HIS A 46 -0.525 -10.901 13.353 1.00 0.00 C ATOM 642 O HIS A 46 0.519 -10.885 12.707 1.00 0.00 O ATOM 643 CB HIS A 46 0.202 -11.141 15.706 1.00 0.00 C ATOM 644 CG HIS A 46 -0.228 -11.462 17.111 1.00 0.00 C ATOM 645 ND1 HIS A 46 -0.803 -10.567 17.985 1.00 0.00 N ATOM 646 CD2 HIS A 46 -0.053 -12.644 17.774 1.00 0.00 C ATOM 647 CE1 HIS A 46 -0.994 -11.197 19.152 1.00 0.00 C ATOM 648 NE2 HIS A 46 -0.562 -12.472 19.070 1.00 0.00 N ATOM 0 H HIS A 46 0.775 -13.136 13.923 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.691 -11.842 14.912 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.235 -11.464 15.577 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.188 -10.059 15.578 1.00 0.00 H new ATOM 0 HD2 HIS A 46 0.394 -13.543 17.375 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -1.431 -10.748 20.032 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -0.598 -13.175 19.808 1.00 0.00 H new ATOM 656 N LEU A 47 -1.565 -10.139 13.025 1.00 0.00 N ATOM 657 CA LEU A 47 -1.491 -9.099 12.012 1.00 0.00 C ATOM 658 C LEU A 47 -0.641 -7.970 12.591 1.00 0.00 C ATOM 659 O LEU A 47 -1.010 -7.386 13.608 1.00 0.00 O ATOM 660 CB LEU A 47 -2.914 -8.632 11.673 1.00 0.00 C ATOM 661 CG LEU A 47 -2.984 -7.459 10.679 1.00 0.00 C ATOM 662 CD1 LEU A 47 -2.662 -7.866 9.241 1.00 0.00 C ATOM 663 CD2 LEU A 47 -4.384 -6.857 10.727 1.00 0.00 C ATOM 0 H LEU A 47 -2.484 -10.229 13.458 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.036 -9.454 11.087 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.470 -9.474 11.261 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.416 -8.340 12.595 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.227 -6.735 10.980 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.729 -6.993 8.592 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.653 -8.275 9.196 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.374 -8.621 8.908 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.446 -6.024 10.026 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -5.116 -7.617 10.454 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.592 -6.499 11.735 1.00 0.00 H new ATOM 675 N GLN A 48 0.489 -7.653 11.960 1.00 0.00 N ATOM 676 CA GLN A 48 1.193 -6.405 12.234 1.00 0.00 C ATOM 677 C GLN A 48 0.372 -5.254 11.668 1.00 0.00 C ATOM 678 O GLN A 48 0.050 -4.305 12.378 1.00 0.00 O ATOM 679 CB GLN A 48 2.595 -6.425 11.608 1.00 0.00 C ATOM 680 CG GLN A 48 3.585 -7.215 12.465 1.00 0.00 C ATOM 681 CD GLN A 48 3.864 -6.504 13.780 1.00 0.00 C ATOM 682 OE1 GLN A 48 4.527 -5.471 13.816 1.00 0.00 O ATOM 683 NE2 GLN A 48 3.364 -7.018 14.885 1.00 0.00 N ATOM 0 H GLN A 48 0.934 -8.243 11.257 1.00 0.00 H new ATOM 0 HA GLN A 48 1.314 -6.280 13.310 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.543 -6.866 10.612 1.00 0.00 H new ATOM 0 HB3 GLN A 48 2.954 -5.403 11.486 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.185 -8.209 12.664 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.517 -7.350 11.917 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.815 -7.876 14.845 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.526 -6.558 15.781 1.00 0.00 H new ATOM 692 N GLY A 49 -0.025 -5.352 10.406 1.00 0.00 N ATOM 693 CA GLY A 49 -0.794 -4.331 9.732 1.00 0.00 C ATOM 694 C GLY A 49 -0.806 -4.643 8.245 1.00 0.00 C ATOM 695 O GLY A 49 -0.267 -5.670 7.804 1.00 0.00 O ATOM 0 H GLY A 49 0.185 -6.159 9.818 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.812 -4.303 10.122 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.358 -3.348 9.910 1.00 0.00 H new ATOM 699 N TYR A 50 -1.359 -3.721 7.468 1.00 0.00 N ATOM 700 CA TYR A 50 -1.484 -3.845 6.015 1.00 0.00 C ATOM 701 C TYR A 50 -0.586 -2.799 5.345 1.00 0.00 C ATOM 702 O TYR A 50 -0.632 -1.615 5.701 1.00 0.00 O ATOM 703 CB TYR A 50 -2.958 -3.710 5.606 1.00 0.00 C ATOM 704 CG TYR A 50 -3.874 -4.820 6.113 1.00 0.00 C ATOM 705 CD1 TYR A 50 -3.990 -6.032 5.398 1.00 0.00 C ATOM 706 CD2 TYR A 50 -4.660 -4.628 7.268 1.00 0.00 C ATOM 707 CE1 TYR A 50 -4.898 -7.028 5.815 1.00 0.00 C ATOM 708 CE2 TYR A 50 -5.566 -5.618 7.689 1.00 0.00 C ATOM 709 CZ TYR A 50 -5.687 -6.828 6.971 1.00 0.00 C ATOM 710 OH TYR A 50 -6.563 -7.789 7.380 1.00 0.00 O ATOM 0 H TYR A 50 -1.741 -2.849 7.833 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.152 -4.828 5.682 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.334 -2.754 5.971 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.016 -3.681 4.518 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.378 -6.198 4.524 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.565 -3.713 7.834 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.990 -7.944 5.251 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.173 -5.452 8.567 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.023 -7.488 8.192 1.00 0.00 H new ATOM 720 N ARG A 51 0.287 -3.208 4.417 1.00 0.00 N ATOM 721 CA ARG A 51 1.178 -2.308 3.683 1.00 0.00 C ATOM 722 C ARG A 51 0.547 -2.172 2.309 1.00 0.00 C ATOM 723 O ARG A 51 0.349 -3.189 1.647 1.00 0.00 O ATOM 724 CB ARG A 51 2.614 -2.883 3.640 1.00 0.00 C ATOM 725 CG ARG A 51 3.602 -1.912 2.971 1.00 0.00 C ATOM 726 CD ARG A 51 5.038 -2.453 2.850 1.00 0.00 C ATOM 727 NE ARG A 51 5.855 -2.293 4.066 1.00 0.00 N ATOM 728 CZ ARG A 51 7.063 -2.846 4.248 1.00 0.00 C ATOM 729 NH1 ARG A 51 7.541 -3.782 3.445 1.00 0.00 N ATOM 730 NH2 ARG A 51 7.854 -2.464 5.235 1.00 0.00 N ATOM 0 H ARG A 51 0.394 -4.187 4.153 1.00 0.00 H new ATOM 0 HA ARG A 51 1.283 -1.330 4.153 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.949 -3.099 4.655 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.610 -3.828 3.097 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.234 -1.666 1.975 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.623 -0.983 3.541 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.994 -3.512 2.594 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.536 -1.946 2.024 1.00 0.00 H new ATOM 0 HE ARG A 51 5.475 -1.722 4.821 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.986 -4.108 2.654 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.465 -4.178 3.617 1.00 0.00 H new ATOM 0 HH21 ARG A 51 7.550 -1.734 5.879 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.769 -2.900 5.353 1.00 0.00 H new ATOM 744 N ILE A 52 0.160 -0.966 1.908 1.00 0.00 N ATOM 745 CA ILE A 52 -0.292 -0.728 0.542 1.00 0.00 C ATOM 746 C ILE A 52 0.941 -0.281 -0.229 1.00 0.00 C ATOM 747 O ILE A 52 1.605 0.664 0.196 1.00 0.00 O ATOM 748 CB ILE A 52 -1.444 0.299 0.496 1.00 0.00 C ATOM 749 CG1 ILE A 52 -2.694 -0.312 1.162 1.00 0.00 C ATOM 750 CG2 ILE A 52 -1.739 0.751 -0.944 1.00 0.00 C ATOM 751 CD1 ILE A 52 -3.953 0.555 1.050 1.00 0.00 C ATOM 0 H ILE A 52 0.150 -0.141 2.507 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.714 -1.626 0.091 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.146 1.191 1.048 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.894 -1.284 0.710 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.481 -0.488 2.216 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.555 1.474 -0.939 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.848 1.213 -1.370 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.023 -0.113 -1.545 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.785 0.053 1.544 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.775 1.518 1.528 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.195 0.711 -0.001 1.00 0.00 H new ATOM 763 N TYR A 53 1.234 -0.923 -1.349 1.00 0.00 N ATOM 764 CA TYR A 53 2.078 -0.358 -2.388 1.00 0.00 C ATOM 765 C TYR A 53 1.172 0.357 -3.387 1.00 0.00 C ATOM 766 O TYR A 53 -0.019 0.052 -3.474 1.00 0.00 O ATOM 767 CB TYR A 53 2.887 -1.472 -3.062 1.00 0.00 C ATOM 768 CG TYR A 53 4.090 -1.903 -2.259 1.00 0.00 C ATOM 769 CD1 TYR A 53 3.922 -2.790 -1.179 1.00 0.00 C ATOM 770 CD2 TYR A 53 5.363 -1.392 -2.571 1.00 0.00 C ATOM 771 CE1 TYR A 53 5.020 -3.147 -0.383 1.00 0.00 C ATOM 772 CE2 TYR A 53 6.453 -1.702 -1.743 1.00 0.00 C ATOM 773 CZ TYR A 53 6.281 -2.570 -0.644 1.00 0.00 C ATOM 774 OH TYR A 53 7.329 -2.826 0.181 1.00 0.00 O ATOM 0 H TYR A 53 0.889 -1.859 -1.563 1.00 0.00 H new ATOM 0 HA TYR A 53 2.790 0.354 -1.971 1.00 0.00 H new ATOM 0 HB2 TYR A 53 2.240 -2.334 -3.226 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.217 -1.130 -4.043 1.00 0.00 H new ATOM 0 HD1 TYR A 53 2.945 -3.197 -0.963 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.500 -0.766 -3.441 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.902 -3.857 0.422 1.00 0.00 H new ATOM 0 HE2 TYR A 53 7.424 -1.276 -1.947 1.00 0.00 H new ATOM 0 HH TYR A 53 8.123 -2.352 -0.142 1.00 0.00 H new ATOM 784 N TYR A 54 1.688 1.346 -4.111 1.00 0.00 N ATOM 785 CA TYR A 54 1.024 2.003 -5.220 1.00 0.00 C ATOM 786 C TYR A 54 2.023 2.712 -6.129 1.00 0.00 C ATOM 787 O TYR A 54 3.163 2.970 -5.741 1.00 0.00 O ATOM 788 CB TYR A 54 -0.016 3.001 -4.690 1.00 0.00 C ATOM 789 CG TYR A 54 0.509 4.147 -3.862 1.00 0.00 C ATOM 790 CD1 TYR A 54 0.849 3.912 -2.521 1.00 0.00 C ATOM 791 CD2 TYR A 54 0.536 5.452 -4.384 1.00 0.00 C ATOM 792 CE1 TYR A 54 1.250 4.976 -1.696 1.00 0.00 C ATOM 793 CE2 TYR A 54 0.911 6.527 -3.559 1.00 0.00 C ATOM 794 CZ TYR A 54 1.266 6.292 -2.210 1.00 0.00 C ATOM 795 OH TYR A 54 1.622 7.343 -1.424 1.00 0.00 O ATOM 0 H TYR A 54 2.618 1.723 -3.929 1.00 0.00 H new ATOM 0 HA TYR A 54 0.521 1.239 -5.813 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.556 3.415 -5.542 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.741 2.451 -4.090 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.802 2.910 -2.122 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.269 5.628 -5.416 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.545 4.789 -0.674 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.928 7.532 -3.955 1.00 0.00 H new ATOM 0 HH TYR A 54 1.577 8.172 -1.945 1.00 0.00 H new ATOM 805 N TRP A 55 1.607 3.074 -7.341 1.00 0.00 N ATOM 806 CA TRP A 55 2.359 3.953 -8.219 1.00 0.00 C ATOM 807 C TRP A 55 1.427 4.787 -9.103 1.00 0.00 C ATOM 808 O TRP A 55 0.260 4.436 -9.305 1.00 0.00 O ATOM 809 CB TRP A 55 3.368 3.140 -9.045 1.00 0.00 C ATOM 810 CG TRP A 55 2.799 2.055 -9.907 1.00 0.00 C ATOM 811 CD1 TRP A 55 2.456 2.198 -11.203 1.00 0.00 C ATOM 812 CD2 TRP A 55 2.507 0.661 -9.577 1.00 0.00 C ATOM 813 NE1 TRP A 55 2.000 1.008 -11.707 1.00 0.00 N ATOM 814 CE2 TRP A 55 1.969 0.026 -10.737 1.00 0.00 C ATOM 815 CE3 TRP A 55 2.668 -0.141 -8.427 1.00 0.00 C ATOM 816 CZ2 TRP A 55 1.607 -1.329 -10.746 1.00 0.00 C ATOM 817 CZ3 TRP A 55 2.294 -1.498 -8.420 1.00 0.00 C ATOM 818 CH2 TRP A 55 1.747 -2.089 -9.574 1.00 0.00 C ATOM 0 H TRP A 55 0.724 2.757 -7.742 1.00 0.00 H new ATOM 0 HA TRP A 55 2.921 4.659 -7.608 1.00 0.00 H new ATOM 0 HB2 TRP A 55 3.922 3.829 -9.683 1.00 0.00 H new ATOM 0 HB3 TRP A 55 4.088 2.691 -8.360 1.00 0.00 H new ATOM 0 HD1 TRP A 55 2.530 3.118 -11.763 1.00 0.00 H new ATOM 0 HE1 TRP A 55 1.719 0.866 -12.677 1.00 0.00 H new ATOM 0 HE3 TRP A 55 3.087 0.296 -7.533 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 1.224 -1.784 -11.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 2.427 -2.088 -7.525 1.00 0.00 H new ATOM 0 HH2 TRP A 55 1.436 -3.123 -9.558 1.00 0.00 H new ATOM 829 N LYS A 56 1.967 5.889 -9.635 1.00 0.00 N ATOM 830 CA LYS A 56 1.331 6.747 -10.637 1.00 0.00 C ATOM 831 C LYS A 56 1.263 5.970 -11.944 1.00 0.00 C ATOM 832 O LYS A 56 2.259 5.353 -12.326 1.00 0.00 O ATOM 833 CB LYS A 56 2.185 8.019 -10.822 1.00 0.00 C ATOM 834 CG LYS A 56 1.441 9.336 -11.092 1.00 0.00 C ATOM 835 CD LYS A 56 0.587 9.455 -12.356 1.00 0.00 C ATOM 836 CE LYS A 56 0.047 10.890 -12.506 1.00 0.00 C ATOM 837 NZ LYS A 56 1.076 11.887 -12.877 1.00 0.00 N ATOM 0 H LYS A 56 2.895 6.219 -9.368 1.00 0.00 H new ATOM 0 HA LYS A 56 0.328 7.036 -10.324 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.791 8.152 -9.925 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.874 7.845 -11.649 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.794 9.530 -10.237 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.183 10.134 -11.118 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.181 9.190 -13.230 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -0.243 8.750 -12.309 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -0.737 10.894 -13.263 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.415 11.193 -11.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 0.618 12.796 -13.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.740 12.012 -12.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 1.595 11.555 -13.715 1.00 0.00 H new ATOM 851 N THR A 57 0.156 6.059 -12.659 1.00 0.00 N ATOM 852 CA THR A 57 -0.071 5.422 -13.951 1.00 0.00 C ATOM 853 C THR A 57 -0.695 6.504 -14.859 1.00 0.00 C ATOM 854 O THR A 57 -1.093 7.556 -14.359 1.00 0.00 O ATOM 855 CB THR A 57 -0.927 4.157 -13.716 1.00 0.00 C ATOM 856 OG1 THR A 57 -0.209 3.274 -12.869 1.00 0.00 O ATOM 857 CG2 THR A 57 -1.200 3.341 -14.980 1.00 0.00 C ATOM 0 H THR A 57 -0.648 6.601 -12.343 1.00 0.00 H new ATOM 0 HA THR A 57 0.827 5.065 -14.455 1.00 0.00 H new ATOM 0 HB THR A 57 -1.871 4.518 -13.307 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.495 2.827 -13.384 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.806 2.471 -14.728 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.733 3.958 -15.703 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.255 3.011 -15.412 1.00 0.00 H new ATOM 865 N GLN A 58 -0.789 6.283 -16.178 1.00 0.00 N ATOM 866 CA GLN A 58 -1.256 7.271 -17.159 1.00 0.00 C ATOM 867 C GLN A 58 -0.559 8.618 -16.943 1.00 0.00 C ATOM 868 O GLN A 58 -1.142 9.576 -16.436 1.00 0.00 O ATOM 869 CB GLN A 58 -2.792 7.390 -17.152 1.00 0.00 C ATOM 870 CG GLN A 58 -3.519 6.082 -17.492 1.00 0.00 C ATOM 871 CD GLN A 58 -3.327 5.692 -18.950 1.00 0.00 C ATOM 872 OE1 GLN A 58 -2.277 5.199 -19.354 1.00 0.00 O ATOM 873 NE2 GLN A 58 -4.348 5.873 -19.764 1.00 0.00 N ATOM 0 H GLN A 58 -0.536 5.390 -16.602 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.982 6.924 -18.155 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.116 7.729 -16.168 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.090 8.157 -17.867 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.149 5.283 -16.850 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.583 6.192 -17.282 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.213 6.284 -19.413 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -4.273 5.602 -20.745 1.00 0.00 H new ATOM 882 N SER A 59 0.727 8.673 -17.283 1.00 0.00 N ATOM 883 CA SER A 59 1.553 9.854 -17.106 1.00 0.00 C ATOM 884 C SER A 59 1.056 11.027 -17.960 1.00 0.00 C ATOM 885 O SER A 59 0.226 10.852 -18.867 1.00 0.00 O ATOM 886 CB SER A 59 3.013 9.491 -17.429 1.00 0.00 C ATOM 887 OG SER A 59 3.173 9.022 -18.763 1.00 0.00 O ATOM 0 H SER A 59 1.227 7.885 -17.695 1.00 0.00 H new ATOM 0 HA SER A 59 1.488 10.186 -16.070 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.644 10.366 -17.276 1.00 0.00 H new ATOM 0 HB3 SER A 59 3.356 8.725 -16.734 1.00 0.00 H new ATOM 0 HG SER A 59 3.148 9.781 -19.382 1.00 0.00 H new ATOM 893 N SER A 60 1.662 12.198 -17.750 1.00 0.00 N ATOM 894 CA SER A 60 1.731 13.236 -18.772 1.00 0.00 C ATOM 895 C SER A 60 2.261 12.595 -20.066 1.00 0.00 C ATOM 896 O SER A 60 3.020 11.614 -20.024 1.00 0.00 O ATOM 897 CB SER A 60 2.614 14.387 -18.258 1.00 0.00 C ATOM 898 OG SER A 60 2.587 15.511 -19.124 1.00 0.00 O ATOM 0 H SER A 60 2.115 12.449 -16.871 1.00 0.00 H new ATOM 0 HA SER A 60 0.752 13.664 -18.990 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.276 14.687 -17.266 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.641 14.036 -18.153 1.00 0.00 H new ATOM 0 HG SER A 60 3.159 16.218 -18.760 1.00 0.00 H new ATOM 904 N SER A 61 1.844 13.120 -21.217 1.00 0.00 N ATOM 905 CA SER A 61 2.250 12.606 -22.517 1.00 0.00 C ATOM 906 C SER A 61 3.738 12.859 -22.775 1.00 0.00 C ATOM 907 O SER A 61 4.354 13.693 -22.108 1.00 0.00 O ATOM 908 CB SER A 61 1.387 13.262 -23.598 1.00 0.00 C ATOM 909 OG SER A 61 0.012 13.188 -23.256 1.00 0.00 O ATOM 0 H SER A 61 1.211 13.918 -21.270 1.00 0.00 H new ATOM 0 HA SER A 61 2.103 11.526 -22.538 1.00 0.00 H new ATOM 0 HB2 SER A 61 1.680 14.304 -23.722 1.00 0.00 H new ATOM 0 HB3 SER A 61 1.556 12.768 -24.555 1.00 0.00 H new ATOM 0 HG SER A 61 -0.523 13.614 -23.958 1.00 0.00 H new ATOM 915 N LYS A 62 4.317 12.166 -23.759 1.00 0.00 N ATOM 916 CA LYS A 62 5.733 12.245 -24.125 1.00 0.00 C ATOM 917 C LYS A 62 6.649 12.098 -22.903 1.00 0.00 C ATOM 918 O LYS A 62 7.653 12.808 -22.766 1.00 0.00 O ATOM 919 CB LYS A 62 5.989 13.515 -24.955 1.00 0.00 C ATOM 920 CG LYS A 62 7.221 13.362 -25.858 1.00 0.00 C ATOM 921 CD LYS A 62 7.445 14.613 -26.711 1.00 0.00 C ATOM 922 CE LYS A 62 8.558 14.325 -27.719 1.00 0.00 C ATOM 923 NZ LYS A 62 9.006 15.549 -28.406 1.00 0.00 N ATOM 0 H LYS A 62 3.795 11.512 -24.342 1.00 0.00 H new ATOM 0 HA LYS A 62 5.988 11.397 -24.761 1.00 0.00 H new ATOM 0 HB2 LYS A 62 5.114 13.733 -25.567 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.130 14.365 -24.287 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.103 13.175 -25.245 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.094 12.495 -26.507 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.526 14.886 -27.230 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.717 15.458 -26.079 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.403 13.867 -27.206 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.203 13.604 -28.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 9.761 15.312 -29.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 8.206 15.973 -28.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.368 16.227 -27.706 1.00 0.00 H new ATOM 937 N ARG A 63 6.304 11.198 -21.979 1.00 0.00 N ATOM 938 CA ARG A 63 7.140 10.882 -20.826 1.00 0.00 C ATOM 939 C ARG A 63 7.876 9.573 -21.033 1.00 0.00 C ATOM 940 O ARG A 63 7.451 8.701 -21.799 1.00 0.00 O ATOM 941 CB ARG A 63 6.316 10.851 -19.525 1.00 0.00 C ATOM 942 CG ARG A 63 6.172 12.257 -18.918 1.00 0.00 C ATOM 943 CD ARG A 63 6.179 12.238 -17.380 1.00 0.00 C ATOM 944 NE ARG A 63 7.008 13.335 -16.861 1.00 0.00 N ATOM 945 CZ ARG A 63 8.076 13.242 -16.061 1.00 0.00 C ATOM 946 NH1 ARG A 63 8.334 12.146 -15.354 1.00 0.00 N ATOM 947 NH2 ARG A 63 8.894 14.281 -15.973 1.00 0.00 N ATOM 0 H ARG A 63 5.433 10.668 -22.013 1.00 0.00 H new ATOM 0 HA ARG A 63 7.881 11.676 -20.728 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.328 10.438 -19.728 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.796 10.189 -18.804 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.986 12.888 -19.274 1.00 0.00 H new ATOM 0 HG3 ARG A 63 5.243 12.707 -19.268 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.160 12.333 -17.004 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.563 11.282 -17.023 1.00 0.00 H new ATOM 0 HE ARG A 63 6.737 14.277 -17.144 1.00 0.00 H new ATOM 0 HH11 ARG A 63 7.708 11.343 -15.412 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.158 12.109 -14.753 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.703 15.128 -16.509 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.715 14.234 -15.370 1.00 0.00 H new ATOM 961 N ASN A 64 8.944 9.414 -20.268 1.00 0.00 N ATOM 962 CA ASN A 64 9.739 8.211 -20.132 1.00 0.00 C ATOM 963 C ASN A 64 10.249 8.153 -18.700 1.00 0.00 C ATOM 964 O ASN A 64 10.498 9.193 -18.086 1.00 0.00 O ATOM 965 CB ASN A 64 10.919 8.237 -21.114 1.00 0.00 C ATOM 966 CG ASN A 64 12.023 9.186 -20.652 1.00 0.00 C ATOM 967 OD1 ASN A 64 11.934 10.403 -20.817 1.00 0.00 O ATOM 968 ND2 ASN A 64 13.074 8.658 -20.053 1.00 0.00 N ATOM 0 H ASN A 64 9.299 10.174 -19.688 1.00 0.00 H new ATOM 0 HA ASN A 64 9.136 7.331 -20.358 1.00 0.00 H new ATOM 0 HB2 ASN A 64 11.326 7.231 -21.220 1.00 0.00 H new ATOM 0 HB3 ASN A 64 10.565 8.543 -22.099 1.00 0.00 H new ATOM 0 HD21 ASN A 64 13.827 9.260 -19.719 1.00 0.00 H new ATOM 0 HD22 ASN A 64 13.133 7.648 -19.924 1.00 0.00 H new ATOM 975 N ARG A 65 10.468 6.943 -18.196 1.00 0.00 N ATOM 976 CA ARG A 65 11.283 6.675 -17.020 1.00 0.00 C ATOM 977 C ARG A 65 11.989 5.344 -17.241 1.00 0.00 C ATOM 978 O ARG A 65 11.907 4.760 -18.330 1.00 0.00 O ATOM 979 CB ARG A 65 10.444 6.692 -15.727 1.00 0.00 C ATOM 980 CG ARG A 65 10.094 8.118 -15.282 1.00 0.00 C ATOM 981 CD ARG A 65 9.808 8.135 -13.782 1.00 0.00 C ATOM 982 NE ARG A 65 9.501 9.498 -13.324 1.00 0.00 N ATOM 983 CZ ARG A 65 8.518 9.851 -12.491 1.00 0.00 C ATOM 984 NH1 ARG A 65 7.616 8.956 -12.105 1.00 0.00 N ATOM 985 NH2 ARG A 65 8.452 11.101 -12.054 1.00 0.00 N ATOM 0 H ARG A 65 10.071 6.098 -18.608 1.00 0.00 H new ATOM 0 HA ARG A 65 12.025 7.462 -16.888 1.00 0.00 H new ATOM 0 HB2 ARG A 65 9.525 6.127 -15.884 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.995 6.190 -14.932 1.00 0.00 H new ATOM 0 HG2 ARG A 65 10.918 8.793 -15.512 1.00 0.00 H new ATOM 0 HG3 ARG A 65 9.224 8.477 -15.832 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.970 7.474 -13.560 1.00 0.00 H new ATOM 0 HD3 ARG A 65 10.671 7.750 -13.238 1.00 0.00 H new ATOM 0 HE ARG A 65 10.097 10.247 -13.677 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.673 7.996 -12.445 1.00 0.00 H new ATOM 0 HH12 ARG A 65 6.867 9.229 -11.469 1.00 0.00 H new ATOM 0 HH21 ARG A 65 9.148 11.784 -12.354 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.705 11.380 -11.418 1.00 0.00 H new ATOM 999 N ARG A 66 12.753 4.903 -16.249 1.00 0.00 N ATOM 1000 CA ARG A 66 13.544 3.684 -16.297 1.00 0.00 C ATOM 1001 C ARG A 66 13.100 2.792 -15.144 1.00 0.00 C ATOM 1002 O ARG A 66 12.587 1.705 -15.393 1.00 0.00 O ATOM 1003 CB ARG A 66 15.034 4.069 -16.290 1.00 0.00 C ATOM 1004 CG ARG A 66 15.950 3.079 -17.011 1.00 0.00 C ATOM 1005 CD ARG A 66 16.113 1.726 -16.310 1.00 0.00 C ATOM 1006 NE ARG A 66 17.214 0.991 -16.944 1.00 0.00 N ATOM 1007 CZ ARG A 66 17.183 0.400 -18.144 1.00 0.00 C ATOM 1008 NH1 ARG A 66 16.035 0.030 -18.704 1.00 0.00 N ATOM 1009 NH2 ARG A 66 18.316 0.209 -18.798 1.00 0.00 N ATOM 0 H ARG A 66 12.840 5.401 -15.363 1.00 0.00 H new ATOM 0 HA ARG A 66 13.392 3.106 -17.209 1.00 0.00 H new ATOM 0 HB2 ARG A 66 15.145 5.050 -16.753 1.00 0.00 H new ATOM 0 HB3 ARG A 66 15.366 4.165 -15.256 1.00 0.00 H new ATOM 0 HG2 ARG A 66 15.559 2.908 -18.014 1.00 0.00 H new ATOM 0 HG3 ARG A 66 16.934 3.534 -17.126 1.00 0.00 H new ATOM 0 HD2 ARG A 66 16.319 1.873 -15.250 1.00 0.00 H new ATOM 0 HD3 ARG A 66 15.189 1.153 -16.378 1.00 0.00 H new ATOM 0 HE ARG A 66 18.086 0.924 -16.420 1.00 0.00 H new ATOM 0 HH11 ARG A 66 15.154 0.195 -18.218 1.00 0.00 H new ATOM 0 HH12 ARG A 66 16.036 -0.419 -19.620 1.00 0.00 H new ATOM 0 HH21 ARG A 66 19.199 0.511 -18.387 1.00 0.00 H new ATOM 0 HH22 ARG A 66 18.307 -0.240 -19.714 1.00 0.00 H new ATOM 1023 N HIS A 67 13.240 3.244 -13.898 1.00 0.00 N ATOM 1024 CA HIS A 67 12.630 2.594 -12.741 1.00 0.00 C ATOM 1025 C HIS A 67 11.263 3.237 -12.449 1.00 0.00 C ATOM 1026 O HIS A 67 10.827 4.153 -13.160 1.00 0.00 O ATOM 1027 CB HIS A 67 13.602 2.650 -11.552 1.00 0.00 C ATOM 1028 CG HIS A 67 14.808 1.761 -11.751 1.00 0.00 C ATOM 1029 ND1 HIS A 67 16.018 2.112 -12.315 1.00 0.00 N ATOM 1030 CD2 HIS A 67 14.879 0.435 -11.419 1.00 0.00 C ATOM 1031 CE1 HIS A 67 16.807 1.024 -12.305 1.00 0.00 C ATOM 1032 NE2 HIS A 67 16.148 -0.024 -11.783 1.00 0.00 N ATOM 0 H HIS A 67 13.782 4.075 -13.663 1.00 0.00 H new ATOM 0 HA HIS A 67 12.440 1.540 -12.942 1.00 0.00 H new ATOM 0 HB2 HIS A 67 13.932 3.678 -11.405 1.00 0.00 H new ATOM 0 HB3 HIS A 67 13.079 2.350 -10.644 1.00 0.00 H new ATOM 0 HD2 HIS A 67 14.096 -0.150 -10.959 1.00 0.00 H new ATOM 0 HE1 HIS A 67 17.825 0.996 -12.665 1.00 0.00 H new ATOM 0 HE2 HIS A 67 16.505 -0.973 -11.673 1.00 0.00 H new ATOM 1040 N ILE A 68 10.560 2.756 -11.417 1.00 0.00 N ATOM 1041 CA ILE A 68 9.294 3.304 -10.937 1.00 0.00 C ATOM 1042 C ILE A 68 9.428 3.520 -9.430 1.00 0.00 C ATOM 1043 O ILE A 68 9.808 2.620 -8.679 1.00 0.00 O ATOM 1044 CB ILE A 68 8.097 2.385 -11.318 1.00 0.00 C ATOM 1045 CG1 ILE A 68 7.991 2.266 -12.856 1.00 0.00 C ATOM 1046 CG2 ILE A 68 6.765 2.932 -10.753 1.00 0.00 C ATOM 1047 CD1 ILE A 68 6.871 1.358 -13.373 1.00 0.00 C ATOM 0 H ILE A 68 10.870 1.948 -10.878 1.00 0.00 H new ATOM 0 HA ILE A 68 9.079 4.260 -11.415 1.00 0.00 H new ATOM 0 HB ILE A 68 8.279 1.403 -10.882 1.00 0.00 H new ATOM 0 HG12 ILE A 68 7.846 3.264 -13.271 1.00 0.00 H new ATOM 0 HG13 ILE A 68 8.941 1.896 -13.240 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.949 2.267 -11.037 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.826 2.988 -9.666 1.00 0.00 H new ATOM 0 HG23 ILE A 68 6.580 3.927 -11.157 1.00 0.00 H new ATOM 0 HD11 ILE A 68 6.886 1.346 -14.463 1.00 0.00 H new ATOM 0 HD12 ILE A 68 7.020 0.346 -12.997 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.908 1.735 -13.028 1.00 0.00 H new ATOM 1059 N GLU A 69 9.063 4.721 -8.987 1.00 0.00 N ATOM 1060 CA GLU A 69 8.834 5.153 -7.606 1.00 0.00 C ATOM 1061 C GLU A 69 7.561 4.503 -7.040 1.00 0.00 C ATOM 1062 O GLU A 69 6.561 5.144 -6.710 1.00 0.00 O ATOM 1063 CB GLU A 69 8.800 6.690 -7.557 1.00 0.00 C ATOM 1064 CG GLU A 69 7.788 7.270 -8.557 1.00 0.00 C ATOM 1065 CD GLU A 69 7.595 8.792 -8.503 1.00 0.00 C ATOM 1066 OE1 GLU A 69 8.041 9.471 -7.548 1.00 0.00 O ATOM 1067 OE2 GLU A 69 6.892 9.306 -9.405 1.00 0.00 O ATOM 0 H GLU A 69 8.905 5.487 -9.642 1.00 0.00 H new ATOM 0 HA GLU A 69 9.652 4.821 -6.966 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.543 7.016 -6.549 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.793 7.083 -7.776 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.104 6.998 -9.564 1.00 0.00 H new ATOM 0 HG3 GLU A 69 6.823 6.794 -8.386 1.00 0.00 H new ATOM 1074 N LYS A 70 7.589 3.178 -7.001 1.00 0.00 N ATOM 1075 CA LYS A 70 6.622 2.320 -6.317 1.00 0.00 C ATOM 1076 C LYS A 70 6.578 2.724 -4.845 1.00 0.00 C ATOM 1077 O LYS A 70 7.494 2.417 -4.068 1.00 0.00 O ATOM 1078 CB LYS A 70 6.929 0.828 -6.510 1.00 0.00 C ATOM 1079 CG LYS A 70 6.955 0.433 -7.996 1.00 0.00 C ATOM 1080 CD LYS A 70 6.700 -1.064 -8.176 1.00 0.00 C ATOM 1081 CE LYS A 70 6.999 -1.462 -9.629 1.00 0.00 C ATOM 1082 NZ LYS A 70 6.659 -2.869 -9.930 1.00 0.00 N ATOM 0 H LYS A 70 8.321 2.643 -7.467 1.00 0.00 H new ATOM 0 HA LYS A 70 5.635 2.463 -6.757 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.892 0.594 -6.056 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.178 0.233 -5.990 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.200 1.001 -8.539 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.921 0.694 -8.427 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.329 -1.636 -7.494 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.665 -1.300 -7.928 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.441 -0.809 -10.300 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.057 -1.299 -9.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.884 -3.075 -10.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.210 -3.499 -9.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.644 -3.024 -9.765 1.00 0.00 H new ATOM 1096 N LYS A 71 5.567 3.516 -4.520 1.00 0.00 N ATOM 1097 CA LYS A 71 5.331 4.200 -3.269 1.00 0.00 C ATOM 1098 C LYS A 71 4.653 3.241 -2.300 1.00 0.00 C ATOM 1099 O LYS A 71 4.152 2.196 -2.720 1.00 0.00 O ATOM 1100 CB LYS A 71 4.447 5.407 -3.610 1.00 0.00 C ATOM 1101 CG LYS A 71 4.754 6.631 -2.744 1.00 0.00 C ATOM 1102 CD LYS A 71 4.389 7.897 -3.528 1.00 0.00 C ATOM 1103 CE LYS A 71 4.779 9.183 -2.795 1.00 0.00 C ATOM 1104 NZ LYS A 71 4.852 10.337 -3.712 1.00 0.00 N ATOM 0 H LYS A 71 4.825 3.710 -5.192 1.00 0.00 H new ATOM 0 HA LYS A 71 6.248 4.538 -2.787 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.584 5.667 -4.660 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.400 5.132 -3.484 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.187 6.587 -1.814 1.00 0.00 H new ATOM 0 HG3 LYS A 71 5.810 6.646 -2.473 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.885 7.873 -4.499 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.316 7.904 -3.718 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.052 9.388 -2.010 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.744 9.045 -2.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.119 11.189 -3.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 5.564 10.152 -4.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.924 10.485 -4.158 1.00 0.00 H new ATOM 1118 N ILE A 72 4.624 3.594 -1.016 1.00 0.00 N ATOM 1119 CA ILE A 72 4.139 2.727 0.052 1.00 0.00 C ATOM 1120 C ILE A 72 3.262 3.565 0.977 1.00 0.00 C ATOM 1121 O ILE A 72 3.457 4.777 1.081 1.00 0.00 O ATOM 1122 CB ILE A 72 5.327 2.071 0.803 1.00 0.00 C ATOM 1123 CG1 ILE A 72 6.229 1.241 -0.140 1.00 0.00 C ATOM 1124 CG2 ILE A 72 4.857 1.136 1.927 1.00 0.00 C ATOM 1125 CD1 ILE A 72 7.483 1.997 -0.560 1.00 0.00 C ATOM 0 H ILE A 72 4.942 4.505 -0.685 1.00 0.00 H new ATOM 0 HA ILE A 72 3.545 1.909 -0.355 1.00 0.00 H new ATOM 0 HB ILE A 72 5.891 2.905 1.221 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.516 0.315 0.359 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.662 0.962 -1.028 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.724 0.700 2.424 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.271 1.703 2.650 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.242 0.341 1.505 1.00 0.00 H new ATOM 0 HD11 ILE A 72 8.081 1.370 -1.221 1.00 0.00 H new ATOM 0 HD12 ILE A 72 7.199 2.910 -1.084 1.00 0.00 H new ATOM 0 HD13 ILE A 72 8.067 2.253 0.324 1.00 0.00 H new ATOM 1137 N LEU A 73 2.321 2.918 1.662 1.00 0.00 N ATOM 1138 CA LEU A 73 1.541 3.413 2.789 1.00 0.00 C ATOM 1139 C LEU A 73 1.499 2.336 3.864 1.00 0.00 C ATOM 1140 O LEU A 73 1.546 1.138 3.563 1.00 0.00 O ATOM 1141 CB LEU A 73 0.123 3.748 2.339 1.00 0.00 C ATOM 1142 CG LEU A 73 0.012 5.185 1.843 1.00 0.00 C ATOM 1143 CD1 LEU A 73 -1.015 5.227 0.737 1.00 0.00 C ATOM 1144 CD2 LEU A 73 -0.494 6.175 2.883 1.00 0.00 C ATOM 0 H LEU A 73 2.066 1.960 1.423 1.00 0.00 H new ATOM 0 HA LEU A 73 2.003 4.318 3.185 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.177 3.065 1.544 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.567 3.595 3.169 1.00 0.00 H new ATOM 0 HG LEU A 73 1.022 5.469 1.546 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.110 6.248 0.367 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.700 4.574 -0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.977 4.889 1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.541 7.172 2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.488 5.877 3.215 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.185 6.186 3.735 1.00 0.00 H new ATOM 1156 N THR A 74 1.352 2.772 5.110 1.00 0.00 N ATOM 1157 CA THR A 74 1.464 1.947 6.302 1.00 0.00 C ATOM 1158 C THR A 74 0.208 2.122 7.148 1.00 0.00 C ATOM 1159 O THR A 74 0.020 3.151 7.804 1.00 0.00 O ATOM 1160 CB THR A 74 2.764 2.292 7.045 1.00 0.00 C ATOM 1161 OG1 THR A 74 3.854 1.993 6.199 1.00 0.00 O ATOM 1162 CG2 THR A 74 2.947 1.547 8.366 1.00 0.00 C ATOM 0 H THR A 74 1.144 3.747 5.323 1.00 0.00 H new ATOM 0 HA THR A 74 1.528 0.889 6.047 1.00 0.00 H new ATOM 0 HB THR A 74 2.711 3.352 7.295 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.693 2.209 6.657 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.888 1.848 8.826 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.122 1.788 9.037 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.961 0.473 8.179 1.00 0.00 H new ATOM 1170 N PHE A 75 -0.671 1.122 7.106 1.00 0.00 N ATOM 1171 CA PHE A 75 -1.858 1.035 7.939 1.00 0.00 C ATOM 1172 C PHE A 75 -1.551 0.010 9.009 1.00 0.00 C ATOM 1173 O PHE A 75 -1.537 -1.193 8.734 1.00 0.00 O ATOM 1174 CB PHE A 75 -3.084 0.671 7.098 1.00 0.00 C ATOM 1175 CG PHE A 75 -3.282 1.673 5.988 1.00 0.00 C ATOM 1176 CD1 PHE A 75 -3.757 2.964 6.290 1.00 0.00 C ATOM 1177 CD2 PHE A 75 -2.795 1.377 4.703 1.00 0.00 C ATOM 1178 CE1 PHE A 75 -3.754 3.958 5.302 1.00 0.00 C ATOM 1179 CE2 PHE A 75 -2.782 2.378 3.724 1.00 0.00 C ATOM 1180 CZ PHE A 75 -3.269 3.656 4.020 1.00 0.00 C ATOM 0 H PHE A 75 -0.569 0.330 6.472 1.00 0.00 H new ATOM 0 HA PHE A 75 -2.103 1.990 8.403 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.960 -0.327 6.677 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.971 0.642 7.731 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.123 3.188 7.281 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.434 0.386 4.473 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.122 4.949 5.525 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.395 2.163 2.739 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.272 4.418 3.254 1.00 0.00 H new ATOM 1190 N GLN A 76 -1.161 0.467 10.195 1.00 0.00 N ATOM 1191 CA GLN A 76 -1.118 -0.431 11.337 1.00 0.00 C ATOM 1192 C GLN A 76 -2.550 -0.700 11.798 1.00 0.00 C ATOM 1193 O GLN A 76 -3.501 -0.032 11.369 1.00 0.00 O ATOM 1194 CB GLN A 76 -0.268 0.182 12.470 1.00 0.00 C ATOM 1195 CG GLN A 76 1.216 0.270 12.095 1.00 0.00 C ATOM 1196 CD GLN A 76 2.056 0.897 13.208 1.00 0.00 C ATOM 1197 OE1 GLN A 76 2.309 0.276 14.237 1.00 0.00 O ATOM 1198 NE2 GLN A 76 2.484 2.141 13.058 1.00 0.00 N ATOM 0 H GLN A 76 -0.878 1.428 10.386 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.650 -1.375 11.056 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.642 1.179 12.704 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -0.378 -0.420 13.372 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.594 -0.729 11.876 1.00 0.00 H new ATOM 0 HG3 GLN A 76 1.325 0.859 11.184 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.272 2.654 12.202 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.026 2.587 13.798 1.00 0.00 H new ATOM 1207 N GLY A 77 -2.680 -1.671 12.690 1.00 0.00 N ATOM 1208 CA GLY A 77 -3.937 -2.066 13.292 1.00 0.00 C ATOM 1209 C GLY A 77 -4.733 -2.965 12.362 1.00 0.00 C ATOM 1210 O GLY A 77 -4.263 -3.353 11.287 1.00 0.00 O ATOM 0 H GLY A 77 -1.887 -2.220 13.022 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.746 -2.587 14.230 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.522 -1.179 13.533 1.00 0.00 H new ATOM 1214 N SER A 78 -5.913 -3.377 12.809 1.00 0.00 N ATOM 1215 CA SER A 78 -6.729 -4.388 12.147 1.00 0.00 C ATOM 1216 C SER A 78 -7.558 -3.858 10.974 1.00 0.00 C ATOM 1217 O SER A 78 -8.272 -4.641 10.346 1.00 0.00 O ATOM 1218 CB SER A 78 -7.606 -5.052 13.217 1.00 0.00 C ATOM 1219 OG SER A 78 -8.201 -4.082 14.065 1.00 0.00 O ATOM 0 H SER A 78 -6.339 -3.010 13.660 1.00 0.00 H new ATOM 0 HA SER A 78 -6.064 -5.117 11.684 1.00 0.00 H new ATOM 0 HB2 SER A 78 -8.384 -5.646 12.737 1.00 0.00 H new ATOM 0 HB3 SER A 78 -7.003 -5.738 13.812 1.00 0.00 H new ATOM 0 HG SER A 78 -8.756 -4.531 14.737 1.00 0.00 H new ATOM 1225 N LYS A 79 -7.495 -2.553 10.687 1.00 0.00 N ATOM 1226 CA LYS A 79 -8.416 -1.898 9.766 1.00 0.00 C ATOM 1227 C LYS A 79 -8.405 -2.533 8.386 1.00 0.00 C ATOM 1228 O LYS A 79 -7.370 -2.971 7.889 1.00 0.00 O ATOM 1229 CB LYS A 79 -8.111 -0.394 9.672 1.00 0.00 C ATOM 1230 CG LYS A 79 -9.224 0.430 10.339 1.00 0.00 C ATOM 1231 CD LYS A 79 -10.352 0.803 9.370 1.00 0.00 C ATOM 1232 CE LYS A 79 -9.964 2.043 8.557 1.00 0.00 C ATOM 1233 NZ LYS A 79 -10.335 3.291 9.247 1.00 0.00 N ATOM 0 H LYS A 79 -6.800 -1.924 11.090 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.419 -2.031 10.171 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.156 -0.181 10.153 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.013 -0.103 8.626 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -9.640 -0.137 11.172 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -8.795 1.341 10.757 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -10.555 -0.032 8.699 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -11.270 0.996 9.926 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -8.890 2.035 8.374 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -10.454 2.007 7.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.056 4.106 8.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.364 3.311 9.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -9.848 3.338 10.165 1.00 0.00 H new ATOM 1247 N THR A 80 -9.562 -2.468 7.746 1.00 0.00 N ATOM 1248 CA THR A 80 -9.853 -3.066 6.458 1.00 0.00 C ATOM 1249 C THR A 80 -9.983 -2.014 5.357 1.00 0.00 C ATOM 1250 O THR A 80 -10.247 -2.356 4.207 1.00 0.00 O ATOM 1251 CB THR A 80 -11.111 -3.924 6.623 1.00 0.00 C ATOM 1252 OG1 THR A 80 -12.063 -3.269 7.450 1.00 0.00 O ATOM 1253 CG2 THR A 80 -10.747 -5.234 7.310 1.00 0.00 C ATOM 0 H THR A 80 -10.363 -1.970 8.134 1.00 0.00 H new ATOM 0 HA THR A 80 -9.027 -3.699 6.135 1.00 0.00 H new ATOM 0 HB THR A 80 -11.529 -4.097 5.631 1.00 0.00 H new ATOM 0 HG1 THR A 80 -12.860 -3.832 7.541 1.00 0.00 H new ATOM 0 HG21 THR A 80 -11.642 -5.844 7.427 1.00 0.00 H new ATOM 0 HG22 THR A 80 -10.018 -5.772 6.704 1.00 0.00 H new ATOM 0 HG23 THR A 80 -10.320 -5.024 8.291 1.00 0.00 H new ATOM 1261 N HIS A 81 -9.777 -0.734 5.674 1.00 0.00 N ATOM 1262 CA HIS A 81 -9.612 0.308 4.673 1.00 0.00 C ATOM 1263 C HIS A 81 -8.522 1.283 5.117 1.00 0.00 C ATOM 1264 O HIS A 81 -8.119 1.290 6.283 1.00 0.00 O ATOM 1265 CB HIS A 81 -10.957 0.984 4.332 1.00 0.00 C ATOM 1266 CG HIS A 81 -11.761 1.484 5.502 1.00 0.00 C ATOM 1267 ND1 HIS A 81 -11.970 2.807 5.826 1.00 0.00 N ATOM 1268 CD2 HIS A 81 -12.457 0.716 6.399 1.00 0.00 C ATOM 1269 CE1 HIS A 81 -12.732 2.835 6.930 1.00 0.00 C ATOM 1270 NE2 HIS A 81 -13.058 1.587 7.311 1.00 0.00 N ATOM 0 H HIS A 81 -9.721 -0.396 6.635 1.00 0.00 H new ATOM 0 HA HIS A 81 -9.276 -0.136 3.736 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -10.760 1.825 3.667 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -11.567 0.273 3.775 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -11.611 3.616 5.320 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -12.528 -0.362 6.400 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -13.041 3.735 7.442 1.00 0.00 H new ATOM 1278 N GLY A 82 -8.023 2.101 4.192 1.00 0.00 N ATOM 1279 CA GLY A 82 -6.894 3.013 4.373 1.00 0.00 C ATOM 1280 C GLY A 82 -6.912 4.044 3.248 1.00 0.00 C ATOM 1281 O GLY A 82 -7.563 3.809 2.231 1.00 0.00 O ATOM 0 H GLY A 82 -8.413 2.148 3.251 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.961 3.509 5.341 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -5.955 2.459 4.363 1.00 0.00 H new ATOM 1285 N MET A 83 -6.225 5.177 3.406 1.00 0.00 N ATOM 1286 CA MET A 83 -6.358 6.308 2.486 1.00 0.00 C ATOM 1287 C MET A 83 -5.043 6.623 1.786 1.00 0.00 C ATOM 1288 O MET A 83 -3.963 6.387 2.321 1.00 0.00 O ATOM 1289 CB MET A 83 -6.931 7.538 3.202 1.00 0.00 C ATOM 1290 CG MET A 83 -8.249 7.218 3.912 1.00 0.00 C ATOM 1291 SD MET A 83 -9.174 8.676 4.434 1.00 0.00 S ATOM 1292 CE MET A 83 -10.081 8.972 2.911 1.00 0.00 C ATOM 0 H MET A 83 -5.566 5.336 4.168 1.00 0.00 H new ATOM 0 HA MET A 83 -7.067 6.020 1.710 1.00 0.00 H new ATOM 0 HB2 MET A 83 -6.207 7.906 3.928 1.00 0.00 H new ATOM 0 HB3 MET A 83 -7.092 8.338 2.479 1.00 0.00 H new ATOM 0 HG2 MET A 83 -8.874 6.623 3.246 1.00 0.00 H new ATOM 0 HG3 MET A 83 -8.039 6.602 4.786 1.00 0.00 H new ATOM 0 HE1 MET A 83 -10.356 10.025 2.850 1.00 0.00 H new ATOM 0 HE2 MET A 83 -9.455 8.711 2.058 1.00 0.00 H new ATOM 0 HE3 MET A 83 -10.983 8.360 2.900 1.00 0.00 H new ATOM 1302 N LEU A 84 -5.143 7.192 0.590 1.00 0.00 N ATOM 1303 CA LEU A 84 -4.062 7.562 -0.311 1.00 0.00 C ATOM 1304 C LEU A 84 -4.001 9.093 -0.331 1.00 0.00 C ATOM 1305 O LEU A 84 -4.653 9.687 -1.187 1.00 0.00 O ATOM 1306 CB LEU A 84 -4.366 6.983 -1.720 1.00 0.00 C ATOM 1307 CG LEU A 84 -3.694 5.666 -2.122 1.00 0.00 C ATOM 1308 CD1 LEU A 84 -2.186 5.774 -2.304 1.00 0.00 C ATOM 1309 CD2 LEU A 84 -4.030 4.563 -1.142 1.00 0.00 C ATOM 0 H LEU A 84 -6.055 7.424 0.196 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.100 7.164 0.011 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.444 6.844 -1.797 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.088 7.737 -2.457 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.102 5.416 -3.101 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.783 4.802 -2.588 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.965 6.501 -3.086 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.729 6.097 -1.369 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.540 3.640 -1.451 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.683 4.842 -0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.109 4.412 -1.121 1.00 0.00 H new ATOM 1321 N PRO A 85 -3.307 9.753 0.612 1.00 0.00 N ATOM 1322 CA PRO A 85 -3.019 11.180 0.545 1.00 0.00 C ATOM 1323 C PRO A 85 -1.765 11.442 -0.296 1.00 0.00 C ATOM 1324 O PRO A 85 -0.912 10.557 -0.470 1.00 0.00 O ATOM 1325 CB PRO A 85 -2.774 11.588 1.999 1.00 0.00 C ATOM 1326 CG PRO A 85 -2.133 10.344 2.612 1.00 0.00 C ATOM 1327 CD PRO A 85 -2.846 9.209 1.879 1.00 0.00 C ATOM 0 HA PRO A 85 -3.829 11.742 0.081 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -2.116 12.454 2.068 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.703 11.852 2.504 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.056 10.320 2.447 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -2.292 10.294 3.689 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -2.171 8.369 1.716 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -3.684 8.835 2.467 1.00 0.00 H new ATOM 1335 N GLY A 86 -1.602 12.678 -0.771 1.00 0.00 N ATOM 1336 CA GLY A 86 -0.407 13.080 -1.511 1.00 0.00 C ATOM 1337 C GLY A 86 -0.491 12.746 -3.001 1.00 0.00 C ATOM 1338 O GLY A 86 0.518 12.846 -3.703 1.00 0.00 O ATOM 0 H GLY A 86 -2.289 13.423 -0.654 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -0.256 14.153 -1.392 1.00 0.00 H new ATOM 0 HA3 GLY A 86 0.464 12.586 -1.081 1.00 0.00 H new ATOM 1342 N LEU A 87 -1.659 12.319 -3.481 1.00 0.00 N ATOM 1343 CA LEU A 87 -1.917 11.917 -4.864 1.00 0.00 C ATOM 1344 C LEU A 87 -2.124 13.171 -5.717 1.00 0.00 C ATOM 1345 O LEU A 87 -2.066 14.287 -5.196 1.00 0.00 O ATOM 1346 CB LEU A 87 -3.153 10.991 -4.885 1.00 0.00 C ATOM 1347 CG LEU A 87 -2.895 9.531 -4.464 1.00 0.00 C ATOM 1348 CD1 LEU A 87 -2.224 8.710 -5.550 1.00 0.00 C ATOM 1349 CD2 LEU A 87 -2.029 9.386 -3.215 1.00 0.00 C ATOM 0 H LEU A 87 -2.487 12.240 -2.891 1.00 0.00 H new ATOM 0 HA LEU A 87 -1.073 11.367 -5.280 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.912 11.412 -4.226 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.569 10.992 -5.892 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.899 9.160 -4.260 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.069 7.692 -5.193 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.858 8.691 -6.436 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.262 9.156 -5.802 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.895 8.329 -2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.056 9.845 -3.391 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.517 9.880 -2.375 1.00 0.00 H new ATOM 1361 N GLU A 88 -2.393 13.007 -7.011 1.00 0.00 N ATOM 1362 CA GLU A 88 -2.777 14.107 -7.888 1.00 0.00 C ATOM 1363 C GLU A 88 -4.127 13.819 -8.543 1.00 0.00 C ATOM 1364 O GLU A 88 -4.484 12.653 -8.745 1.00 0.00 O ATOM 1365 CB GLU A 88 -1.686 14.427 -8.922 1.00 0.00 C ATOM 1366 CG GLU A 88 -0.449 14.977 -8.208 1.00 0.00 C ATOM 1367 CD GLU A 88 0.363 15.907 -9.099 1.00 0.00 C ATOM 1368 OE1 GLU A 88 -0.060 17.073 -9.283 1.00 0.00 O ATOM 1369 OE2 GLU A 88 1.424 15.497 -9.626 1.00 0.00 O ATOM 0 H GLU A 88 -2.350 12.103 -7.481 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.886 15.003 -7.278 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -1.426 13.528 -9.482 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -2.056 15.156 -9.643 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.758 15.514 -7.311 1.00 0.00 H new ATOM 0 HG3 GLU A 88 0.179 14.148 -7.883 1.00 0.00 H new ATOM 1376 N PRO A 89 -4.885 14.879 -8.861 1.00 0.00 N ATOM 1377 CA PRO A 89 -6.110 14.767 -9.622 1.00 0.00 C ATOM 1378 C PRO A 89 -5.842 14.310 -11.067 1.00 0.00 C ATOM 1379 O PRO A 89 -4.699 14.229 -11.518 1.00 0.00 O ATOM 1380 CB PRO A 89 -6.778 16.135 -9.515 1.00 0.00 C ATOM 1381 CG PRO A 89 -5.745 17.107 -8.961 1.00 0.00 C ATOM 1382 CD PRO A 89 -4.514 16.271 -8.659 1.00 0.00 C ATOM 0 HA PRO A 89 -6.774 13.996 -9.232 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -7.131 16.466 -10.491 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.648 16.086 -8.861 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -5.518 17.891 -9.684 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -6.114 17.600 -8.061 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -3.689 16.549 -9.314 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -4.178 16.436 -7.635 1.00 0.00 H new ATOM 1390 N PHE A 90 -6.917 14.024 -11.797 1.00 0.00 N ATOM 1391 CA PHE A 90 -7.004 13.747 -13.222 1.00 0.00 C ATOM 1392 C PHE A 90 -5.922 12.767 -13.719 1.00 0.00 C ATOM 1393 O PHE A 90 -5.433 12.891 -14.843 1.00 0.00 O ATOM 1394 CB PHE A 90 -7.072 15.099 -13.961 1.00 0.00 C ATOM 1395 CG PHE A 90 -7.617 15.012 -15.376 1.00 0.00 C ATOM 1396 CD1 PHE A 90 -8.992 14.796 -15.609 1.00 0.00 C ATOM 1397 CD2 PHE A 90 -6.743 15.136 -16.472 1.00 0.00 C ATOM 1398 CE1 PHE A 90 -9.474 14.672 -16.927 1.00 0.00 C ATOM 1399 CE2 PHE A 90 -7.225 15.013 -17.787 1.00 0.00 C ATOM 1400 CZ PHE A 90 -8.586 14.769 -18.011 1.00 0.00 C ATOM 0 H PHE A 90 -7.837 13.977 -11.359 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.917 13.197 -13.449 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -7.696 15.783 -13.386 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -6.072 15.532 -13.995 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -9.676 14.726 -14.776 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -5.694 15.327 -16.302 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -10.526 14.502 -17.104 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -6.547 15.106 -18.623 1.00 0.00 H new ATOM 0 HZ PHE A 90 -8.954 14.655 -19.020 1.00 0.00 H new ATOM 1410 N SER A 91 -5.562 11.770 -12.912 1.00 0.00 N ATOM 1411 CA SER A 91 -4.492 10.810 -13.159 1.00 0.00 C ATOM 1412 C SER A 91 -4.981 9.392 -12.868 1.00 0.00 C ATOM 1413 O SER A 91 -5.997 9.239 -12.187 1.00 0.00 O ATOM 1414 CB SER A 91 -3.325 11.183 -12.245 1.00 0.00 C ATOM 1415 OG SER A 91 -2.804 12.457 -12.573 1.00 0.00 O ATOM 0 H SER A 91 -6.034 11.603 -12.023 1.00 0.00 H new ATOM 0 HA SER A 91 -4.176 10.838 -14.202 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.657 11.180 -11.207 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.539 10.433 -12.330 1.00 0.00 H new ATOM 0 HG SER A 91 -3.409 13.153 -12.241 1.00 0.00 H new ATOM 1421 N HIS A 92 -4.252 8.367 -13.334 1.00 0.00 N ATOM 1422 CA HIS A 92 -4.526 6.981 -12.961 1.00 0.00 C ATOM 1423 C HIS A 92 -3.537 6.569 -11.881 1.00 0.00 C ATOM 1424 O HIS A 92 -2.403 7.050 -11.853 1.00 0.00 O ATOM 1425 CB HIS A 92 -4.418 6.053 -14.181 1.00 0.00 C ATOM 1426 CG HIS A 92 -5.165 4.739 -14.088 1.00 0.00 C ATOM 1427 ND1 HIS A 92 -4.696 3.473 -14.388 1.00 0.00 N ATOM 1428 CD2 HIS A 92 -6.508 4.624 -13.872 1.00 0.00 C ATOM 1429 CE1 HIS A 92 -5.744 2.630 -14.355 1.00 0.00 C ATOM 1430 NE2 HIS A 92 -6.875 3.286 -14.053 1.00 0.00 N ATOM 0 H HIS A 92 -3.465 8.478 -13.973 1.00 0.00 H new ATOM 0 HA HIS A 92 -5.544 6.898 -12.581 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -4.781 6.593 -15.056 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -3.364 5.837 -14.355 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -7.175 5.430 -13.606 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -5.683 1.569 -14.546 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -7.811 2.890 -13.972 1.00 0.00 H new ATOM 1438 N TYR A 93 -3.927 5.627 -11.034 1.00 0.00 N ATOM 1439 CA TYR A 93 -3.056 5.039 -10.033 1.00 0.00 C ATOM 1440 C TYR A 93 -3.322 3.550 -9.972 1.00 0.00 C ATOM 1441 O TYR A 93 -4.398 3.072 -10.336 1.00 0.00 O ATOM 1442 CB TYR A 93 -3.289 5.714 -8.681 1.00 0.00 C ATOM 1443 CG TYR A 93 -2.752 7.127 -8.656 1.00 0.00 C ATOM 1444 CD1 TYR A 93 -1.390 7.349 -8.381 1.00 0.00 C ATOM 1445 CD2 TYR A 93 -3.596 8.211 -8.957 1.00 0.00 C ATOM 1446 CE1 TYR A 93 -0.860 8.648 -8.432 1.00 0.00 C ATOM 1447 CE2 TYR A 93 -3.073 9.513 -8.992 1.00 0.00 C ATOM 1448 CZ TYR A 93 -1.699 9.738 -8.758 1.00 0.00 C ATOM 1449 OH TYR A 93 -1.211 11.006 -8.825 1.00 0.00 O ATOM 0 H TYR A 93 -4.873 5.246 -11.025 1.00 0.00 H new ATOM 0 HA TYR A 93 -2.010 5.193 -10.298 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -4.357 5.727 -8.461 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -2.809 5.129 -7.896 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -0.750 6.516 -8.130 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -4.643 8.042 -9.161 1.00 0.00 H new ATOM 0 HE1 TYR A 93 0.186 8.814 -8.223 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -3.726 10.348 -9.199 1.00 0.00 H new ATOM 0 HH TYR A 93 -0.232 10.978 -8.858 1.00 0.00 H new ATOM 1459 N THR A 94 -2.308 2.792 -9.585 1.00 0.00 N ATOM 1460 CA THR A 94 -2.385 1.356 -9.368 1.00 0.00 C ATOM 1461 C THR A 94 -1.840 1.095 -7.961 1.00 0.00 C ATOM 1462 O THR A 94 -0.854 1.729 -7.597 1.00 0.00 O ATOM 1463 CB THR A 94 -1.638 0.690 -10.534 1.00 0.00 C ATOM 1464 OG1 THR A 94 -2.204 1.168 -11.755 1.00 0.00 O ATOM 1465 CG2 THR A 94 -1.730 -0.834 -10.497 1.00 0.00 C ATOM 0 H THR A 94 -1.378 3.172 -9.408 1.00 0.00 H new ATOM 0 HA THR A 94 -3.387 0.927 -9.380 1.00 0.00 H new ATOM 0 HB THR A 94 -0.582 0.947 -10.453 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.610 1.841 -12.149 1.00 0.00 H new ATOM 0 HG21 THR A 94 -1.185 -1.252 -11.343 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.295 -1.202 -9.568 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.776 -1.137 -10.553 1.00 0.00 H new ATOM 1473 N LEU A 95 -2.504 0.269 -7.147 1.00 0.00 N ATOM 1474 CA LEU A 95 -2.239 0.066 -5.718 1.00 0.00 C ATOM 1475 C LEU A 95 -2.581 -1.366 -5.301 1.00 0.00 C ATOM 1476 O LEU A 95 -3.404 -2.027 -5.944 1.00 0.00 O ATOM 1477 CB LEU A 95 -2.950 1.123 -4.847 1.00 0.00 C ATOM 1478 CG LEU A 95 -4.482 1.355 -4.925 1.00 0.00 C ATOM 1479 CD1 LEU A 95 -5.091 1.340 -6.321 1.00 0.00 C ATOM 1480 CD2 LEU A 95 -5.273 0.360 -4.108 1.00 0.00 C ATOM 0 H LEU A 95 -3.278 -0.304 -7.482 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.171 0.205 -5.549 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.721 0.881 -3.809 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.475 2.080 -5.064 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.561 2.365 -4.523 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.165 1.512 -6.251 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.636 2.125 -6.925 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.908 0.372 -6.787 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.337 0.575 -4.204 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.073 -0.649 -4.469 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.980 0.435 -3.061 1.00 0.00 H new ATOM 1492 N ASN A 96 -1.932 -1.877 -4.252 1.00 0.00 N ATOM 1493 CA ASN A 96 -1.860 -3.309 -3.934 1.00 0.00 C ATOM 1494 C ASN A 96 -1.631 -3.513 -2.431 1.00 0.00 C ATOM 1495 O ASN A 96 -0.661 -2.995 -1.886 1.00 0.00 O ATOM 1496 CB ASN A 96 -0.733 -4.022 -4.737 1.00 0.00 C ATOM 1497 CG ASN A 96 0.104 -3.099 -5.630 1.00 0.00 C ATOM 1498 OD1 ASN A 96 0.821 -2.217 -5.186 1.00 0.00 O ATOM 1499 ND2 ASN A 96 -0.005 -3.218 -6.934 1.00 0.00 N ATOM 0 H ASN A 96 -1.429 -1.294 -3.583 1.00 0.00 H new ATOM 0 HA ASN A 96 -2.813 -3.753 -4.220 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -0.068 -4.525 -4.035 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -1.183 -4.795 -5.359 1.00 0.00 H new ATOM 0 HD21 ASN A 96 0.503 -2.582 -7.548 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -0.598 -3.947 -7.332 1.00 0.00 H new ATOM 1506 N VAL A 97 -2.504 -4.272 -1.756 1.00 0.00 N ATOM 1507 CA VAL A 97 -2.464 -4.503 -0.307 1.00 0.00 C ATOM 1508 C VAL A 97 -1.610 -5.753 -0.035 1.00 0.00 C ATOM 1509 O VAL A 97 -1.893 -6.825 -0.579 1.00 0.00 O ATOM 1510 CB VAL A 97 -3.904 -4.702 0.251 1.00 0.00 C ATOM 1511 CG1 VAL A 97 -4.016 -4.550 1.779 1.00 0.00 C ATOM 1512 CG2 VAL A 97 -4.943 -3.724 -0.304 1.00 0.00 C ATOM 0 H VAL A 97 -3.277 -4.754 -2.215 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.026 -3.639 0.192 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.109 -5.723 -0.070 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.051 -4.704 2.085 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.380 -5.289 2.266 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.697 -3.549 2.069 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.916 -3.936 0.139 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -4.648 -2.703 -0.061 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -5.006 -3.835 -1.386 1.00 0.00 H new ATOM 1522 N ARG A 98 -0.658 -5.695 0.897 1.00 0.00 N ATOM 1523 CA ARG A 98 0.114 -6.851 1.378 1.00 0.00 C ATOM 1524 C ARG A 98 -0.002 -6.955 2.898 1.00 0.00 C ATOM 1525 O ARG A 98 0.156 -5.945 3.591 1.00 0.00 O ATOM 1526 CB ARG A 98 1.575 -6.651 0.943 1.00 0.00 C ATOM 1527 CG ARG A 98 2.390 -7.949 0.964 1.00 0.00 C ATOM 1528 CD ARG A 98 3.831 -7.715 0.482 1.00 0.00 C ATOM 1529 NE ARG A 98 3.933 -7.555 -0.980 1.00 0.00 N ATOM 1530 CZ ARG A 98 4.482 -8.420 -1.842 1.00 0.00 C ATOM 1531 NH1 ARG A 98 4.839 -9.646 -1.478 1.00 0.00 N ATOM 1532 NH2 ARG A 98 4.656 -8.044 -3.100 1.00 0.00 N ATOM 0 H ARG A 98 -0.392 -4.822 1.353 1.00 0.00 H new ATOM 0 HA ARG A 98 -0.269 -7.780 0.956 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.594 -6.233 -0.063 1.00 0.00 H new ATOM 0 HB3 ARG A 98 2.047 -5.921 1.601 1.00 0.00 H new ATOM 0 HG2 ARG A 98 2.405 -8.355 1.976 1.00 0.00 H new ATOM 0 HG3 ARG A 98 1.909 -8.693 0.329 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.230 -6.825 0.968 1.00 0.00 H new ATOM 0 HD3 ARG A 98 4.453 -8.554 0.794 1.00 0.00 H new ATOM 0 HE ARG A 98 3.546 -6.698 -1.375 1.00 0.00 H new ATOM 0 HH11 ARG A 98 4.697 -9.954 -0.516 1.00 0.00 H new ATOM 0 HH12 ARG A 98 5.255 -10.280 -2.160 1.00 0.00 H new ATOM 0 HH21 ARG A 98 4.373 -7.110 -3.397 1.00 0.00 H new ATOM 0 HH22 ARG A 98 5.073 -8.688 -3.772 1.00 0.00 H new ATOM 1546 N VAL A 99 -0.301 -8.147 3.420 1.00 0.00 N ATOM 1547 CA VAL A 99 -0.380 -8.361 4.855 1.00 0.00 C ATOM 1548 C VAL A 99 1.053 -8.485 5.359 1.00 0.00 C ATOM 1549 O VAL A 99 1.955 -8.906 4.622 1.00 0.00 O ATOM 1550 CB VAL A 99 -1.281 -9.575 5.223 1.00 0.00 C ATOM 1551 CG1 VAL A 99 -2.498 -9.820 4.305 1.00 0.00 C ATOM 1552 CG2 VAL A 99 -0.496 -10.882 5.314 1.00 0.00 C ATOM 0 H VAL A 99 -0.492 -8.979 2.861 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.869 -7.521 5.349 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.666 -9.279 6.199 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.051 -10.690 4.658 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.149 -8.946 4.322 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.155 -9.997 3.286 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.173 -11.696 5.573 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.027 -11.093 4.353 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.273 -10.792 6.081 1.00 0.00 H new ATOM 1562 N VAL A 100 1.251 -8.148 6.625 1.00 0.00 N ATOM 1563 CA VAL A 100 2.513 -8.321 7.315 1.00 0.00 C ATOM 1564 C VAL A 100 2.179 -8.896 8.683 1.00 0.00 C ATOM 1565 O VAL A 100 1.127 -8.584 9.261 1.00 0.00 O ATOM 1566 CB VAL A 100 3.229 -6.962 7.380 1.00 0.00 C ATOM 1567 CG1 VAL A 100 4.550 -7.006 8.159 1.00 0.00 C ATOM 1568 CG2 VAL A 100 3.516 -6.400 5.975 1.00 0.00 C ATOM 0 H VAL A 100 0.522 -7.739 7.210 1.00 0.00 H new ATOM 0 HA VAL A 100 3.195 -9.003 6.807 1.00 0.00 H new ATOM 0 HB VAL A 100 2.536 -6.310 7.912 1.00 0.00 H new ATOM 0 HG11 VAL A 100 5.002 -6.014 8.165 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.358 -7.324 9.184 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.230 -7.712 7.682 1.00 0.00 H new ATOM 0 HG21 VAL A 100 4.023 -5.439 6.064 1.00 0.00 H new ATOM 0 HG22 VAL A 100 4.152 -7.096 5.428 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.577 -6.267 5.438 1.00 0.00 H new ATOM 1578 N ASN A 101 3.068 -9.730 9.204 1.00 0.00 N ATOM 1579 CA ASN A 101 3.020 -10.248 10.560 1.00 0.00 C ATOM 1580 C ASN A 101 4.405 -10.137 11.188 1.00 0.00 C ATOM 1581 O ASN A 101 5.310 -9.552 10.594 1.00 0.00 O ATOM 1582 CB ASN A 101 2.465 -11.676 10.579 1.00 0.00 C ATOM 1583 CG ASN A 101 3.356 -12.744 9.987 1.00 0.00 C ATOM 1584 OD1 ASN A 101 4.564 -12.588 9.818 1.00 0.00 O ATOM 1585 ND2 ASN A 101 2.769 -13.895 9.736 1.00 0.00 N ATOM 0 H ASN A 101 3.869 -10.075 8.675 1.00 0.00 H new ATOM 0 HA ASN A 101 2.334 -9.653 11.163 1.00 0.00 H new ATOM 0 HB2 ASN A 101 2.247 -11.945 11.612 1.00 0.00 H new ATOM 0 HB3 ASN A 101 1.517 -11.683 10.041 1.00 0.00 H new ATOM 0 HD21 ASN A 101 3.318 -14.683 9.393 1.00 0.00 H new ATOM 0 HD22 ASN A 101 1.765 -13.999 9.885 1.00 0.00 H new ATOM 1592 N GLY A 102 4.569 -10.664 12.401 1.00 0.00 N ATOM 1593 CA GLY A 102 5.796 -10.535 13.176 1.00 0.00 C ATOM 1594 C GLY A 102 7.031 -11.181 12.548 1.00 0.00 C ATOM 1595 O GLY A 102 8.110 -11.036 13.127 1.00 0.00 O ATOM 0 H GLY A 102 3.842 -11.199 12.876 1.00 0.00 H new ATOM 0 HA2 GLY A 102 5.999 -9.476 13.332 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.634 -10.977 14.159 1.00 0.00 H new ATOM 1599 N LYS A 103 6.926 -11.869 11.405 1.00 0.00 N ATOM 1600 CA LYS A 103 8.039 -12.530 10.729 1.00 0.00 C ATOM 1601 C LYS A 103 8.288 -11.936 9.351 1.00 0.00 C ATOM 1602 O LYS A 103 9.439 -11.929 8.917 1.00 0.00 O ATOM 1603 CB LYS A 103 7.753 -14.038 10.638 1.00 0.00 C ATOM 1604 CG LYS A 103 8.922 -14.887 10.105 1.00 0.00 C ATOM 1605 CD LYS A 103 10.172 -14.815 10.992 1.00 0.00 C ATOM 1606 CE LYS A 103 11.324 -15.596 10.358 1.00 0.00 C ATOM 1607 NZ LYS A 103 12.509 -15.600 11.241 1.00 0.00 N ATOM 0 H LYS A 103 6.039 -11.982 10.915 1.00 0.00 H new ATOM 0 HA LYS A 103 8.947 -12.371 11.310 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.480 -14.402 11.629 1.00 0.00 H new ATOM 0 HB3 LYS A 103 6.888 -14.191 9.993 1.00 0.00 H new ATOM 0 HG2 LYS A 103 8.601 -15.926 10.023 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.177 -14.552 9.100 1.00 0.00 H new ATOM 0 HD2 LYS A 103 10.465 -13.775 11.134 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.949 -15.221 11.979 1.00 0.00 H new ATOM 0 HE2 LYS A 103 11.009 -16.621 10.161 1.00 0.00 H new ATOM 0 HE3 LYS A 103 11.584 -15.152 9.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 13.277 -16.136 10.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 12.821 -14.622 11.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 12.264 -16.045 12.149 1.00 0.00 H new ATOM 1621 N GLY A 104 7.265 -11.438 8.659 1.00 0.00 N ATOM 1622 CA GLY A 104 7.478 -10.817 7.359 1.00 0.00 C ATOM 1623 C GLY A 104 6.195 -10.503 6.607 1.00 0.00 C ATOM 1624 O GLY A 104 5.090 -10.617 7.144 1.00 0.00 O ATOM 0 H GLY A 104 6.295 -11.453 8.973 1.00 0.00 H new ATOM 0 HA2 GLY A 104 8.042 -9.894 7.496 1.00 0.00 H new ATOM 0 HA3 GLY A 104 8.093 -11.478 6.748 1.00 0.00 H new ATOM 1628 N GLU A 105 6.361 -10.059 5.360 1.00 0.00 N ATOM 1629 CA GLU A 105 5.270 -9.735 4.450 1.00 0.00 C ATOM 1630 C GLU A 105 4.825 -10.998 3.702 1.00 0.00 C ATOM 1631 O GLU A 105 5.661 -11.817 3.307 1.00 0.00 O ATOM 1632 CB GLU A 105 5.694 -8.686 3.406 1.00 0.00 C ATOM 1633 CG GLU A 105 6.562 -7.509 3.866 1.00 0.00 C ATOM 1634 CD GLU A 105 7.054 -6.724 2.650 1.00 0.00 C ATOM 1635 OE1 GLU A 105 6.331 -5.832 2.149 1.00 0.00 O ATOM 1636 OE2 GLU A 105 8.209 -6.955 2.211 1.00 0.00 O ATOM 0 H GLU A 105 7.283 -9.912 4.948 1.00 0.00 H new ATOM 0 HA GLU A 105 4.455 -9.331 5.051 1.00 0.00 H new ATOM 0 HB2 GLU A 105 6.232 -9.205 2.613 1.00 0.00 H new ATOM 0 HB3 GLU A 105 4.788 -8.276 2.960 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.988 -6.857 4.524 1.00 0.00 H new ATOM 0 HG3 GLU A 105 7.412 -7.875 4.443 1.00 0.00 H new ATOM 1643 N GLY A 106 3.524 -11.119 3.439 1.00 0.00 N ATOM 1644 CA GLY A 106 2.944 -12.208 2.662 1.00 0.00 C ATOM 1645 C GLY A 106 2.904 -11.885 1.162 1.00 0.00 C ATOM 1646 O GLY A 106 3.531 -10.917 0.717 1.00 0.00 O ATOM 0 H GLY A 106 2.831 -10.447 3.768 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.524 -13.117 2.822 1.00 0.00 H new ATOM 0 HA3 GLY A 106 1.933 -12.409 3.017 1.00 0.00 H new ATOM 1650 N PRO A 107 2.196 -12.683 0.343 1.00 0.00 N ATOM 1651 CA PRO A 107 1.917 -12.347 -1.056 1.00 0.00 C ATOM 1652 C PRO A 107 1.053 -11.095 -1.157 1.00 0.00 C ATOM 1653 O PRO A 107 0.257 -10.780 -0.274 1.00 0.00 O ATOM 1654 CB PRO A 107 1.201 -13.577 -1.631 1.00 0.00 C ATOM 1655 CG PRO A 107 0.578 -14.256 -0.411 1.00 0.00 C ATOM 1656 CD PRO A 107 1.543 -13.929 0.725 1.00 0.00 C ATOM 0 HA PRO A 107 2.827 -12.121 -1.611 1.00 0.00 H new ATOM 0 HB2 PRO A 107 0.441 -13.291 -2.358 1.00 0.00 H new ATOM 0 HB3 PRO A 107 1.898 -14.240 -2.143 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -0.422 -13.873 -0.208 1.00 0.00 H new ATOM 0 HG3 PRO A 107 0.484 -15.332 -0.558 1.00 0.00 H new ATOM 0 HD2 PRO A 107 1.012 -13.818 1.670 1.00 0.00 H new ATOM 0 HD3 PRO A 107 2.272 -14.727 0.861 1.00 0.00 H new ATOM 1664 N ALA A 108 1.199 -10.386 -2.266 1.00 0.00 N ATOM 1665 CA ALA A 108 0.386 -9.231 -2.572 1.00 0.00 C ATOM 1666 C ALA A 108 -1.005 -9.685 -3.010 1.00 0.00 C ATOM 1667 O ALA A 108 -1.138 -10.629 -3.789 1.00 0.00 O ATOM 1668 CB ALA A 108 1.094 -8.471 -3.685 1.00 0.00 C ATOM 0 H ALA A 108 1.893 -10.602 -2.982 1.00 0.00 H new ATOM 0 HA ALA A 108 0.260 -8.587 -1.702 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.513 -7.587 -3.949 1.00 0.00 H new ATOM 0 HB2 ALA A 108 2.084 -8.166 -3.345 1.00 0.00 H new ATOM 0 HB3 ALA A 108 1.193 -9.115 -4.559 1.00 0.00 H new ATOM 1674 N SER A 109 -2.034 -8.974 -2.557 1.00 0.00 N ATOM 1675 CA SER A 109 -3.359 -8.937 -3.163 1.00 0.00 C ATOM 1676 C SER A 109 -3.237 -8.327 -4.588 1.00 0.00 C ATOM 1677 O SER A 109 -2.154 -7.867 -4.965 1.00 0.00 O ATOM 1678 CB SER A 109 -4.177 -8.124 -2.155 1.00 0.00 C ATOM 1679 OG SER A 109 -5.580 -8.111 -2.240 1.00 0.00 O ATOM 0 H SER A 109 -1.964 -8.386 -1.726 1.00 0.00 H new ATOM 0 HA SER A 109 -3.845 -9.898 -3.332 1.00 0.00 H new ATOM 0 HB2 SER A 109 -3.915 -8.483 -1.160 1.00 0.00 H new ATOM 0 HB3 SER A 109 -3.838 -7.090 -2.220 1.00 0.00 H new ATOM 0 HG SER A 109 -5.949 -8.815 -1.667 1.00 0.00 H new ATOM 1685 N PRO A 110 -4.290 -8.349 -5.424 1.00 0.00 N ATOM 1686 CA PRO A 110 -4.195 -7.998 -6.832 1.00 0.00 C ATOM 1687 C PRO A 110 -4.107 -6.487 -6.992 1.00 0.00 C ATOM 1688 O PRO A 110 -4.567 -5.732 -6.133 1.00 0.00 O ATOM 1689 CB PRO A 110 -5.452 -8.568 -7.482 1.00 0.00 C ATOM 1690 CG PRO A 110 -6.480 -8.660 -6.354 1.00 0.00 C ATOM 1691 CD PRO A 110 -5.674 -8.565 -5.064 1.00 0.00 C ATOM 0 HA PRO A 110 -3.300 -8.405 -7.303 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.806 -7.923 -8.286 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.259 -9.547 -7.920 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.210 -7.854 -6.421 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -7.034 -9.597 -6.403 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.040 -7.747 -4.444 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -5.779 -9.479 -4.480 1.00 0.00 H new ATOM 1699 N ASP A 111 -3.535 -6.033 -8.099 1.00 0.00 N ATOM 1700 CA ASP A 111 -3.318 -4.612 -8.320 1.00 0.00 C ATOM 1701 C ASP A 111 -4.671 -4.003 -8.669 1.00 0.00 C ATOM 1702 O ASP A 111 -5.243 -4.317 -9.717 1.00 0.00 O ATOM 1703 CB ASP A 111 -2.282 -4.327 -9.414 1.00 0.00 C ATOM 1704 CG ASP A 111 -1.092 -5.275 -9.431 1.00 0.00 C ATOM 1705 OD1 ASP A 111 -0.405 -5.428 -8.403 1.00 0.00 O ATOM 1706 OD2 ASP A 111 -0.811 -5.823 -10.519 1.00 0.00 O ATOM 0 H ASP A 111 -3.212 -6.631 -8.859 1.00 0.00 H new ATOM 0 HA ASP A 111 -2.905 -4.164 -7.416 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -2.777 -4.371 -10.384 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -1.915 -3.308 -9.290 1.00 0.00 H new ATOM 1711 N ARG A 112 -5.239 -3.197 -7.777 1.00 0.00 N ATOM 1712 CA ARG A 112 -6.425 -2.400 -8.067 1.00 0.00 C ATOM 1713 C ARG A 112 -5.992 -1.133 -8.776 1.00 0.00 C ATOM 1714 O ARG A 112 -4.801 -0.819 -8.831 1.00 0.00 O ATOM 1715 CB ARG A 112 -7.182 -2.072 -6.775 1.00 0.00 C ATOM 1716 CG ARG A 112 -8.149 -3.201 -6.419 1.00 0.00 C ATOM 1717 CD ARG A 112 -9.354 -3.215 -7.362 1.00 0.00 C ATOM 1718 NE ARG A 112 -9.763 -4.570 -7.755 1.00 0.00 N ATOM 1719 CZ ARG A 112 -11.019 -4.988 -7.959 1.00 0.00 C ATOM 1720 NH1 ARG A 112 -12.044 -4.138 -8.014 1.00 0.00 N ATOM 1721 NH2 ARG A 112 -11.269 -6.281 -8.112 1.00 0.00 N ATOM 0 H ARG A 112 -4.887 -3.078 -6.827 1.00 0.00 H new ATOM 0 HA ARG A 112 -7.102 -2.963 -8.709 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -6.474 -1.921 -5.960 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -7.732 -1.139 -6.896 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -7.630 -4.158 -6.473 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -8.490 -3.081 -5.391 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -10.193 -2.715 -6.877 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -9.114 -2.641 -8.257 1.00 0.00 H new ATOM 0 HE ARG A 112 -9.021 -5.257 -7.885 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -11.883 -3.137 -7.899 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -12.989 -4.488 -8.171 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -10.505 -6.956 -8.074 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -12.225 -6.601 -8.267 1.00 0.00 H new ATOM 1735 N VAL A 113 -6.968 -0.382 -9.275 1.00 0.00 N ATOM 1736 CA VAL A 113 -6.744 0.894 -9.929 1.00 0.00 C ATOM 1737 C VAL A 113 -7.819 1.899 -9.525 1.00 0.00 C ATOM 1738 O VAL A 113 -8.894 1.495 -9.061 1.00 0.00 O ATOM 1739 CB VAL A 113 -6.642 0.705 -11.449 1.00 0.00 C ATOM 1740 CG1 VAL A 113 -5.597 -0.351 -11.817 1.00 0.00 C ATOM 1741 CG2 VAL A 113 -7.978 0.301 -12.071 1.00 0.00 C ATOM 0 H VAL A 113 -7.951 -0.651 -9.234 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.791 1.307 -9.599 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.341 1.674 -11.848 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.553 -0.457 -12.901 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -4.621 -0.043 -11.443 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.872 -1.306 -11.370 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -7.856 0.179 -13.147 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -8.313 -0.640 -11.635 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -8.719 1.076 -11.875 1.00 0.00 H new ATOM 1751 N PHE A 114 -7.538 3.186 -9.740 1.00 0.00 N ATOM 1752 CA PHE A 114 -8.486 4.290 -9.671 1.00 0.00 C ATOM 1753 C PHE A 114 -8.010 5.414 -10.586 1.00 0.00 C ATOM 1754 O PHE A 114 -6.827 5.470 -10.929 1.00 0.00 O ATOM 1755 CB PHE A 114 -8.658 4.793 -8.228 1.00 0.00 C ATOM 1756 CG PHE A 114 -7.421 5.316 -7.507 1.00 0.00 C ATOM 1757 CD1 PHE A 114 -6.519 4.390 -6.971 1.00 0.00 C ATOM 1758 CD2 PHE A 114 -7.232 6.684 -7.233 1.00 0.00 C ATOM 1759 CE1 PHE A 114 -5.515 4.793 -6.079 1.00 0.00 C ATOM 1760 CE2 PHE A 114 -6.198 7.097 -6.365 1.00 0.00 C ATOM 1761 CZ PHE A 114 -5.373 6.143 -5.735 1.00 0.00 C ATOM 0 H PHE A 114 -6.596 3.497 -9.978 1.00 0.00 H new ATOM 0 HA PHE A 114 -9.462 3.939 -10.005 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -9.402 5.589 -8.237 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -9.071 3.977 -7.636 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -6.597 3.349 -7.249 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -7.879 7.419 -7.688 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -4.847 4.058 -5.655 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -6.038 8.149 -6.183 1.00 0.00 H new ATOM 0 HZ PHE A 114 -4.644 6.448 -4.999 1.00 0.00 H new ATOM 1771 N ASN A 115 -8.919 6.320 -10.947 1.00 0.00 N ATOM 1772 CA ASN A 115 -8.687 7.517 -11.732 1.00 0.00 C ATOM 1773 C ASN A 115 -9.286 8.687 -10.970 1.00 0.00 C ATOM 1774 O ASN A 115 -10.438 8.613 -10.540 1.00 0.00 O ATOM 1775 CB ASN A 115 -9.321 7.420 -13.122 1.00 0.00 C ATOM 1776 CG ASN A 115 -10.819 7.159 -13.096 1.00 0.00 C ATOM 1777 OD1 ASN A 115 -11.248 6.062 -12.737 1.00 0.00 O ATOM 1778 ND2 ASN A 115 -11.633 8.130 -13.461 1.00 0.00 N ATOM 0 H ASN A 115 -9.898 6.224 -10.678 1.00 0.00 H new ATOM 0 HA ASN A 115 -7.615 7.648 -11.881 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -9.132 8.347 -13.663 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -8.832 6.621 -13.679 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -12.642 7.981 -13.450 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -11.254 9.030 -13.754 1.00 0.00 H new ATOM 1785 N THR A 116 -8.508 9.739 -10.771 1.00 0.00 N ATOM 1786 CA THR A 116 -8.874 10.845 -9.898 1.00 0.00 C ATOM 1787 C THR A 116 -9.697 11.899 -10.675 1.00 0.00 C ATOM 1788 O THR A 116 -9.713 11.888 -11.914 1.00 0.00 O ATOM 1789 CB THR A 116 -7.595 11.348 -9.193 1.00 0.00 C ATOM 1790 OG1 THR A 116 -6.499 11.457 -10.080 1.00 0.00 O ATOM 1791 CG2 THR A 116 -7.192 10.381 -8.076 1.00 0.00 C ATOM 0 H THR A 116 -7.596 9.851 -11.215 1.00 0.00 H new ATOM 0 HA THR A 116 -9.551 10.539 -9.100 1.00 0.00 H new ATOM 0 HB THR A 116 -7.831 12.335 -8.796 1.00 0.00 H new ATOM 0 HG1 THR A 116 -5.772 11.947 -9.643 1.00 0.00 H new ATOM 0 HG21 THR A 116 -6.289 10.746 -7.587 1.00 0.00 H new ATOM 0 HG22 THR A 116 -7.998 10.312 -7.346 1.00 0.00 H new ATOM 0 HG23 THR A 116 -7.001 9.395 -8.500 1.00 0.00 H new ATOM 1799 N PRO A 117 -10.454 12.775 -9.981 1.00 0.00 N ATOM 1800 CA PRO A 117 -11.322 13.771 -10.599 1.00 0.00 C ATOM 1801 C PRO A 117 -10.468 14.960 -11.065 1.00 0.00 C ATOM 1802 O PRO A 117 -9.277 15.009 -10.748 1.00 0.00 O ATOM 1803 CB PRO A 117 -12.292 14.174 -9.485 1.00 0.00 C ATOM 1804 CG PRO A 117 -11.455 14.079 -8.213 1.00 0.00 C ATOM 1805 CD PRO A 117 -10.370 13.055 -8.557 1.00 0.00 C ATOM 0 HA PRO A 117 -11.857 13.405 -11.475 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -12.676 15.183 -9.636 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -13.154 13.508 -9.446 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -11.023 15.044 -7.947 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -12.056 13.754 -7.364 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -9.384 13.444 -8.302 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -10.511 12.141 -7.980 1.00 0.00 H new ATOM 1813 N GLU A 118 -11.032 15.920 -11.803 1.00 0.00 N ATOM 1814 CA GLU A 118 -10.240 16.940 -12.499 1.00 0.00 C ATOM 1815 C GLU A 118 -9.335 17.780 -11.586 1.00 0.00 C ATOM 1816 O GLU A 118 -8.268 18.236 -11.997 1.00 0.00 O ATOM 1817 CB GLU A 118 -11.157 17.843 -13.321 1.00 0.00 C ATOM 1818 CG GLU A 118 -10.320 18.798 -14.182 1.00 0.00 C ATOM 1819 CD GLU A 118 -11.042 19.146 -15.472 1.00 0.00 C ATOM 1820 OE1 GLU A 118 -10.979 18.307 -16.400 1.00 0.00 O ATOM 1821 OE2 GLU A 118 -11.635 20.242 -15.563 1.00 0.00 O ATOM 0 H GLU A 118 -12.039 16.013 -11.935 1.00 0.00 H new ATOM 0 HA GLU A 118 -9.561 16.394 -13.153 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -11.802 17.237 -13.958 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -11.808 18.414 -12.659 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -10.111 19.709 -13.622 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -9.359 18.338 -14.412 1.00 0.00 H new ATOM 1828 N GLY A 119 -9.755 18.005 -10.346 1.00 0.00 N ATOM 1829 CA GLY A 119 -9.002 18.756 -9.347 1.00 0.00 C ATOM 1830 C GLY A 119 -9.815 19.910 -8.795 1.00 0.00 C ATOM 1831 O GLY A 119 -11.042 19.884 -8.832 1.00 0.00 O ATOM 0 H GLY A 119 -10.651 17.662 -9.999 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -8.711 18.092 -8.533 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -8.083 19.137 -9.792 1.00 0.00 H new ATOM 1835 N SER A 120 -9.137 20.901 -8.226 1.00 0.00 N ATOM 1836 CA SER A 120 -9.665 22.238 -7.997 1.00 0.00 C ATOM 1837 C SER A 120 -8.443 23.154 -7.893 1.00 0.00 C ATOM 1838 O SER A 120 -7.735 23.112 -6.886 1.00 0.00 O ATOM 1839 CB SER A 120 -10.590 22.288 -6.763 1.00 0.00 C ATOM 1840 OG SER A 120 -10.147 21.487 -5.674 1.00 0.00 O ATOM 0 H SER A 120 -8.176 20.791 -7.902 1.00 0.00 H new ATOM 0 HA SER A 120 -10.309 22.568 -8.812 1.00 0.00 H new ATOM 0 HB2 SER A 120 -10.677 23.322 -6.428 1.00 0.00 H new ATOM 0 HB3 SER A 120 -11.588 21.963 -7.057 1.00 0.00 H new ATOM 0 HG SER A 120 -10.779 21.569 -4.929 1.00 0.00 H new ATOM 1846 N GLY A 121 -8.116 23.894 -8.952 1.00 0.00 N ATOM 1847 CA GLY A 121 -6.882 24.668 -9.046 1.00 0.00 C ATOM 1848 C GLY A 121 -7.159 26.151 -8.802 1.00 0.00 C ATOM 1849 O GLY A 121 -7.697 26.798 -9.701 1.00 0.00 O ATOM 0 H GLY A 121 -8.709 23.973 -9.778 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -6.160 24.302 -8.316 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -6.435 24.533 -10.031 1.00 0.00 H new ATOM 1853 N PRO A 122 -6.866 26.704 -7.612 1.00 0.00 N ATOM 1854 CA PRO A 122 -6.949 28.140 -7.372 1.00 0.00 C ATOM 1855 C PRO A 122 -5.825 28.884 -8.110 1.00 0.00 C ATOM 1856 O PRO A 122 -6.093 29.831 -8.845 1.00 0.00 O ATOM 1857 CB PRO A 122 -6.869 28.301 -5.848 1.00 0.00 C ATOM 1858 CG PRO A 122 -6.097 27.065 -5.378 1.00 0.00 C ATOM 1859 CD PRO A 122 -6.480 25.997 -6.402 1.00 0.00 C ATOM 0 HA PRO A 122 -7.872 28.575 -7.755 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -6.354 29.221 -5.572 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -7.862 28.344 -5.400 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -5.022 27.243 -5.367 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -6.383 26.773 -4.367 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -5.642 25.327 -6.595 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -7.301 25.383 -6.033 1.00 0.00 H new ATOM 1867 N SER A 123 -4.574 28.435 -7.933 1.00 0.00 N ATOM 1868 CA SER A 123 -3.361 29.183 -8.259 1.00 0.00 C ATOM 1869 C SER A 123 -3.303 30.538 -7.529 1.00 0.00 C ATOM 1870 O SER A 123 -4.195 30.894 -6.756 1.00 0.00 O ATOM 1871 CB SER A 123 -3.188 29.291 -9.789 1.00 0.00 C ATOM 1872 OG SER A 123 -2.038 28.578 -10.209 1.00 0.00 O ATOM 0 H SER A 123 -4.377 27.512 -7.547 1.00 0.00 H new ATOM 0 HA SER A 123 -2.500 28.628 -7.886 1.00 0.00 H new ATOM 0 HB2 SER A 123 -4.072 28.895 -10.290 1.00 0.00 H new ATOM 0 HB3 SER A 123 -3.100 30.338 -10.078 1.00 0.00 H new ATOM 0 HG SER A 123 -1.233 29.053 -9.914 1.00 0.00 H new ATOM 1878 N SER A 124 -2.178 31.232 -7.686 1.00 0.00 N ATOM 1879 CA SER A 124 -1.923 32.608 -7.269 1.00 0.00 C ATOM 1880 C SER A 124 -0.835 33.118 -8.213 1.00 0.00 C ATOM 1881 O SER A 124 -1.032 34.083 -8.946 1.00 0.00 O ATOM 1882 CB SER A 124 -1.439 32.688 -5.812 1.00 0.00 C ATOM 1883 OG SER A 124 -2.424 32.323 -4.864 1.00 0.00 O ATOM 0 H SER A 124 -1.364 30.818 -8.140 1.00 0.00 H new ATOM 0 HA SER A 124 -2.835 33.203 -7.316 1.00 0.00 H new ATOM 0 HB2 SER A 124 -0.572 32.038 -5.690 1.00 0.00 H new ATOM 0 HB3 SER A 124 -1.107 33.705 -5.604 1.00 0.00 H new ATOM 0 HG SER A 124 -3.181 31.903 -5.324 1.00 0.00 H new ATOM 1889 N GLY A 125 0.285 32.392 -8.245 1.00 0.00 N ATOM 1890 CA GLY A 125 1.015 32.113 -9.464 1.00 0.00 C ATOM 1891 C GLY A 125 0.968 30.605 -9.603 1.00 0.00 C ATOM 1892 O GLY A 125 -0.104 30.029 -9.310 1.00 0.00 O ATOM 0 H GLY A 125 0.707 31.981 -7.412 1.00 0.00 H new ATOM 0 HA2 GLY A 125 0.556 32.604 -10.322 1.00 0.00 H new ATOM 0 HA3 GLY A 125 2.042 32.473 -9.402 1.00 0.00 H new TER 1896 GLY A 125