USER MOD reduce.3.24.130724 H: found=0, std=0, add=1111, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1106 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 70 LYS NZ :NH3+ 174:sc= 1.58 (180deg=0.695) USER MOD Set 1.2: A 78 THR OG1 : rot 180:sc= -0.481 USER MOD Set 1.3: A 81 GLN : amide:sc= 0.615 K(o=1.7,f=-10!) USER MOD Set 2.1: A 44 SER OG : rot 36:sc= 1.22 USER MOD Set 2.2: A 46 ASN : amide:sc= -7.36! C(o=-6.1!,f=-7.5!) USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.0734 (180deg=0) USER MOD Single : A 2 SER OG : rot 25:sc= 1.14 USER MOD Single : A 3 SER OG : rot 20:sc= 0.32 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0798 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.632) USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 11 LYS NZ :NH3+ -163:sc= -0.0337 (180deg=-0.262) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 HIS :FLIP no HD1:sc= -0.435 F(o=-1.1!,f=-0.43) USER MOD Single : A 17 GLN : amide:sc= -1.34 X(o=-1.3,f=-1.6) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -2.94 K(o=-2.9,f=-9.5!) USER MOD Single : A 30 LYS NZ :NH3+ -162:sc= -0.0277 (180deg=-0.224) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 HIS :FLIP no HD1:sc= -1.01 F(o=-2,f=-1) USER MOD Single : A 61 ASN : amide:sc= -8.88! C(o=-8.9!,f=-11!) USER MOD Single : A 65 HIS : no HD1:sc= 0.0297 K(o=0.03,f=-2.4!) USER MOD Single : A 67 SER OG : rot -20:sc= -2.64! USER MOD Single : A 71 SER OG : rot -16:sc= 1.41 USER MOD Single : A 73 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 83 GLN : amide:sc= -0.162 X(o=-0.16,f=-0.16) USER MOD Single : A 84 CYS SG : rot 76:sc= 0.225 USER MOD Single : A 85 MET CE :methyl -139:sc= -2.3 (180deg=-3.31) USER MOD Single : A 86 GLN :FLIP amide:sc= -4.95! C(o=-7.4!,f=-4.9!) USER MOD Single : A 88 MET CE :methyl 151:sc= -0.508 (180deg=-1.48!) USER MOD Single : A 90 ASN : amide:sc= -0.573 K(o=-0.57,f=-6.2!) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 130:sc= -1.72! USER MOD Single : A 100 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 ASN : amide:sc= -0.917 X(o=-0.92,f=-0.67!) USER MOD Single : A 109 GLN : amide:sc= -0.447 K(o=-0.45,f=-1.4) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0815 USER MOD Single : A 112 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 LYS NZ :NH3+ -145:sc= -7.7! (180deg=-9.2!) USER MOD Single : A 122 TYR OH : rot 59:sc= 0.848 USER MOD Single : A 124 LYS NZ :NH3+ -163:sc= -0.0103 (180deg=-0.205) USER MOD Single : A 125 LYS NZ :NH3+ 154:sc= -0.131 (180deg=-0.573) USER MOD Single : A 126 LYS NZ :NH3+ -157:sc= -2.76! (180deg=-4.16!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 TYR OH : rot 180:sc= 0 USER MOD Single : A 130 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 131 ASN : amide:sc= -0.327 X(o=-0.33,f=-0.039) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 139 SER OG : rot 23:sc= 0.29 USER MOD Single : A 140 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.516 -15.215 -8.832 1.00 0.00 N ATOM 2 CA GLY A 1 -19.351 -13.777 -8.722 1.00 0.00 C ATOM 3 C GLY A 1 -20.653 -13.067 -8.410 1.00 0.00 C ATOM 4 O GLY A 1 -21.733 -13.629 -8.588 1.00 0.00 O ATOM 0 H1 GLY A 1 -19.046 -15.681 -8.030 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.529 -15.450 -8.823 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.092 -15.546 -9.722 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.624 -13.556 -7.940 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.943 -13.389 -9.655 1.00 0.00 H new ATOM 8 N SER A 2 -20.551 -11.827 -7.941 1.00 0.00 N ATOM 9 CA SER A 2 -21.730 -11.040 -7.598 1.00 0.00 C ATOM 10 C SER A 2 -21.377 -9.562 -7.465 1.00 0.00 C ATOM 11 O SER A 2 -20.458 -9.196 -6.732 1.00 0.00 O ATOM 12 CB SER A 2 -22.347 -11.549 -6.294 1.00 0.00 C ATOM 13 OG SER A 2 -23.208 -12.649 -6.532 1.00 0.00 O ATOM 0 H SER A 2 -19.664 -11.346 -7.790 1.00 0.00 H new ATOM 0 HA SER A 2 -22.457 -11.150 -8.403 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.556 -11.845 -5.605 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.904 -10.745 -5.813 1.00 0.00 H new ATOM 0 HG SER A 2 -22.944 -13.098 -7.362 1.00 0.00 H new ATOM 19 N SER A 3 -22.114 -8.717 -8.178 1.00 0.00 N ATOM 20 CA SER A 3 -21.877 -7.279 -8.143 1.00 0.00 C ATOM 21 C SER A 3 -23.037 -6.521 -8.782 1.00 0.00 C ATOM 22 O SER A 3 -23.413 -6.787 -9.923 1.00 0.00 O ATOM 23 CB SER A 3 -20.572 -6.938 -8.864 1.00 0.00 C ATOM 24 OG SER A 3 -20.646 -7.273 -10.239 1.00 0.00 O ATOM 0 H SER A 3 -22.880 -9.003 -8.787 1.00 0.00 H new ATOM 0 HA SER A 3 -21.798 -6.975 -7.099 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.361 -5.874 -8.757 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.745 -7.475 -8.400 1.00 0.00 H new ATOM 0 HG SER A 3 -21.585 -7.354 -10.506 1.00 0.00 H new ATOM 30 N GLY A 4 -23.601 -5.576 -8.037 1.00 0.00 N ATOM 31 CA GLY A 4 -24.713 -4.794 -8.546 1.00 0.00 C ATOM 32 C GLY A 4 -26.055 -5.427 -8.241 1.00 0.00 C ATOM 33 O GLY A 4 -26.800 -5.791 -9.151 1.00 0.00 O ATOM 0 H GLY A 4 -23.308 -5.338 -7.090 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -24.679 -3.795 -8.112 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.607 -4.677 -9.624 1.00 0.00 H new ATOM 37 N SER A 5 -26.366 -5.562 -6.955 1.00 0.00 N ATOM 38 CA SER A 5 -27.625 -6.161 -6.531 1.00 0.00 C ATOM 39 C SER A 5 -28.438 -5.181 -5.692 1.00 0.00 C ATOM 40 O SER A 5 -27.889 -4.256 -5.092 1.00 0.00 O ATOM 41 CB SER A 5 -27.363 -7.439 -5.732 1.00 0.00 C ATOM 42 OG SER A 5 -28.551 -7.911 -5.120 1.00 0.00 O ATOM 0 H SER A 5 -25.762 -5.264 -6.189 1.00 0.00 H new ATOM 0 HA SER A 5 -28.198 -6.410 -7.424 1.00 0.00 H new ATOM 0 HB2 SER A 5 -26.960 -8.208 -6.391 1.00 0.00 H new ATOM 0 HB3 SER A 5 -26.609 -7.246 -4.969 1.00 0.00 H new ATOM 0 HG SER A 5 -28.357 -8.729 -4.617 1.00 0.00 H new ATOM 48 N SER A 6 -29.751 -5.390 -5.654 1.00 0.00 N ATOM 49 CA SER A 6 -30.641 -4.522 -4.892 1.00 0.00 C ATOM 50 C SER A 6 -30.039 -4.188 -3.530 1.00 0.00 C ATOM 51 O SER A 6 -29.801 -3.023 -3.214 1.00 0.00 O ATOM 52 CB SER A 6 -32.005 -5.191 -4.708 1.00 0.00 C ATOM 53 OG SER A 6 -33.033 -4.225 -4.579 1.00 0.00 O ATOM 0 H SER A 6 -30.221 -6.152 -6.142 1.00 0.00 H new ATOM 0 HA SER A 6 -30.770 -3.595 -5.450 1.00 0.00 H new ATOM 0 HB2 SER A 6 -32.214 -5.838 -5.560 1.00 0.00 H new ATOM 0 HB3 SER A 6 -31.985 -5.826 -3.823 1.00 0.00 H new ATOM 0 HG SER A 6 -33.895 -4.678 -4.464 1.00 0.00 H new ATOM 59 N GLY A 7 -29.795 -5.220 -2.728 1.00 0.00 N ATOM 60 CA GLY A 7 -29.223 -5.016 -1.410 1.00 0.00 C ATOM 61 C GLY A 7 -28.333 -6.165 -0.980 1.00 0.00 C ATOM 62 O GLY A 7 -28.637 -7.328 -1.243 1.00 0.00 O ATOM 0 H GLY A 7 -29.983 -6.193 -2.968 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -28.645 -4.092 -1.407 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -30.026 -4.891 -0.684 1.00 0.00 H new ATOM 66 N LYS A 8 -27.228 -5.839 -0.317 1.00 0.00 N ATOM 67 CA LYS A 8 -26.290 -6.852 0.150 1.00 0.00 C ATOM 68 C LYS A 8 -25.339 -6.273 1.193 1.00 0.00 C ATOM 69 O LYS A 8 -24.951 -5.107 1.114 1.00 0.00 O ATOM 70 CB LYS A 8 -25.490 -7.418 -1.026 1.00 0.00 C ATOM 71 CG LYS A 8 -25.056 -8.860 -0.828 1.00 0.00 C ATOM 72 CD LYS A 8 -24.147 -9.328 -1.952 1.00 0.00 C ATOM 73 CE LYS A 8 -24.186 -10.840 -2.108 1.00 0.00 C ATOM 74 NZ LYS A 8 -23.111 -11.332 -3.013 1.00 0.00 N ATOM 0 H LYS A 8 -26.961 -4.881 -0.091 1.00 0.00 H new ATOM 0 HA LYS A 8 -26.863 -7.656 0.612 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -26.093 -7.350 -1.931 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -24.606 -6.800 -1.185 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -24.537 -8.957 0.125 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -25.935 -9.502 -0.779 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -24.451 -8.857 -2.887 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -23.124 -9.008 -1.751 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -24.080 -11.309 -1.130 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -25.157 -11.140 -2.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -23.466 -12.136 -3.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -22.821 -10.567 -3.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -22.294 -11.637 -2.447 1.00 0.00 H new ATOM 88 N ALA A 9 -24.965 -7.095 2.168 1.00 0.00 N ATOM 89 CA ALA A 9 -24.057 -6.664 3.224 1.00 0.00 C ATOM 90 C ALA A 9 -22.616 -7.040 2.895 1.00 0.00 C ATOM 91 O ALA A 9 -22.102 -8.047 3.381 1.00 0.00 O ATOM 92 CB ALA A 9 -24.471 -7.271 4.556 1.00 0.00 C ATOM 0 H ALA A 9 -25.277 -8.063 2.249 1.00 0.00 H new ATOM 0 HA ALA A 9 -24.115 -5.578 3.298 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -23.784 -6.941 5.335 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -25.483 -6.950 4.804 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -24.443 -8.358 4.485 1.00 0.00 H new ATOM 98 N GLN A 10 -21.971 -6.225 2.067 1.00 0.00 N ATOM 99 CA GLN A 10 -20.590 -6.474 1.672 1.00 0.00 C ATOM 100 C GLN A 10 -19.698 -5.290 2.034 1.00 0.00 C ATOM 101 O GLN A 10 -18.626 -5.461 2.615 1.00 0.00 O ATOM 102 CB GLN A 10 -20.507 -6.749 0.170 1.00 0.00 C ATOM 103 CG GLN A 10 -21.052 -5.617 -0.686 1.00 0.00 C ATOM 104 CD GLN A 10 -21.141 -5.986 -2.154 1.00 0.00 C ATOM 105 OE1 GLN A 10 -22.169 -6.477 -2.621 1.00 0.00 O ATOM 106 NE2 GLN A 10 -20.062 -5.750 -2.890 1.00 0.00 N ATOM 0 H GLN A 10 -22.383 -5.387 1.657 1.00 0.00 H new ATOM 0 HA GLN A 10 -20.237 -7.351 2.214 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -19.467 -6.930 -0.101 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -21.059 -7.662 -0.055 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -22.042 -5.338 -0.325 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -20.413 -4.741 -0.574 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -19.232 -5.342 -2.461 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -20.063 -5.977 -3.884 1.00 0.00 H new ATOM 115 N LYS A 11 -20.149 -4.089 1.688 1.00 0.00 N ATOM 116 CA LYS A 11 -19.394 -2.876 1.976 1.00 0.00 C ATOM 117 C LYS A 11 -19.477 -2.523 3.458 1.00 0.00 C ATOM 118 O LYS A 11 -18.468 -2.203 4.088 1.00 0.00 O ATOM 119 CB LYS A 11 -19.918 -1.711 1.133 1.00 0.00 C ATOM 120 CG LYS A 11 -19.558 -1.815 -0.339 1.00 0.00 C ATOM 121 CD LYS A 11 -18.214 -1.169 -0.631 1.00 0.00 C ATOM 122 CE LYS A 11 -18.308 0.348 -0.602 1.00 0.00 C ATOM 123 NZ LYS A 11 -19.124 0.876 -1.730 1.00 0.00 N ATOM 0 H LYS A 11 -21.034 -3.930 1.207 1.00 0.00 H new ATOM 0 HA LYS A 11 -18.350 -3.059 1.722 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -21.003 -1.662 1.231 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -19.520 -0.778 1.531 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -19.531 -2.864 -0.635 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -20.331 -1.335 -0.939 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -17.481 -1.503 0.103 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -17.857 -1.494 -1.608 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -18.747 0.666 0.344 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -17.306 0.775 -0.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -18.934 1.891 -1.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -18.875 0.371 -2.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -20.134 0.734 -1.524 1.00 0.00 H new ATOM 137 N LEU A 12 -20.684 -2.583 4.009 1.00 0.00 N ATOM 138 CA LEU A 12 -20.899 -2.271 5.417 1.00 0.00 C ATOM 139 C LEU A 12 -19.797 -2.875 6.283 1.00 0.00 C ATOM 140 O LEU A 12 -19.283 -2.225 7.192 1.00 0.00 O ATOM 141 CB LEU A 12 -22.264 -2.791 5.873 1.00 0.00 C ATOM 142 CG LEU A 12 -22.769 -2.262 7.215 1.00 0.00 C ATOM 143 CD1 LEU A 12 -23.308 -0.848 7.063 1.00 0.00 C ATOM 144 CD2 LEU A 12 -23.838 -3.184 7.784 1.00 0.00 C ATOM 0 H LEU A 12 -21.529 -2.845 3.502 1.00 0.00 H new ATOM 0 HA LEU A 12 -20.873 -1.187 5.531 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -22.999 -2.543 5.107 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -22.216 -3.879 5.929 1.00 0.00 H new ATOM 0 HG LEU A 12 -21.931 -2.236 7.912 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -23.663 -0.488 8.029 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -22.515 -0.193 6.701 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -24.133 -0.848 6.350 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -24.186 -2.792 8.740 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -24.676 -3.242 7.089 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -23.419 -4.179 7.931 1.00 0.00 H new ATOM 156 N ASN A 13 -19.440 -4.121 5.992 1.00 0.00 N ATOM 157 CA ASN A 13 -18.398 -4.812 6.743 1.00 0.00 C ATOM 158 C ASN A 13 -17.026 -4.568 6.121 1.00 0.00 C ATOM 159 O ASN A 13 -16.495 -5.421 5.410 1.00 0.00 O ATOM 160 CB ASN A 13 -18.687 -6.314 6.793 1.00 0.00 C ATOM 161 CG ASN A 13 -19.801 -6.656 7.763 1.00 0.00 C ATOM 162 OD1 ASN A 13 -19.617 -6.604 8.980 1.00 0.00 O ATOM 163 ND2 ASN A 13 -20.964 -7.009 7.228 1.00 0.00 N ATOM 0 H ASN A 13 -19.856 -4.673 5.242 1.00 0.00 H new ATOM 0 HA ASN A 13 -18.393 -4.415 7.758 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -18.957 -6.663 5.796 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -17.781 -6.846 7.082 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -21.750 -7.251 7.831 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -21.071 -7.038 6.214 1.00 0.00 H new ATOM 170 N GLU A 14 -16.459 -3.397 6.394 1.00 0.00 N ATOM 171 CA GLU A 14 -15.149 -3.041 5.860 1.00 0.00 C ATOM 172 C GLU A 14 -14.256 -2.460 6.953 1.00 0.00 C ATOM 173 O GLU A 14 -14.347 -1.277 7.279 1.00 0.00 O ATOM 174 CB GLU A 14 -15.296 -2.034 4.718 1.00 0.00 C ATOM 175 CG GLU A 14 -13.978 -1.669 4.055 1.00 0.00 C ATOM 176 CD GLU A 14 -13.486 -2.742 3.104 1.00 0.00 C ATOM 177 OE1 GLU A 14 -13.125 -3.839 3.581 1.00 0.00 O ATOM 178 OE2 GLU A 14 -13.462 -2.485 1.882 1.00 0.00 O ATOM 0 H GLU A 14 -16.885 -2.680 6.981 1.00 0.00 H new ATOM 0 HA GLU A 14 -14.682 -3.948 5.477 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -15.969 -2.446 3.966 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -15.763 -1.127 5.102 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -14.097 -0.733 3.510 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -13.225 -1.497 4.824 1.00 0.00 H new ATOM 185 N GLN A 15 -13.395 -3.302 7.515 1.00 0.00 N ATOM 186 CA GLN A 15 -12.487 -2.873 8.572 1.00 0.00 C ATOM 187 C GLN A 15 -11.045 -2.855 8.077 1.00 0.00 C ATOM 188 O GLN A 15 -10.602 -3.776 7.389 1.00 0.00 O ATOM 189 CB GLN A 15 -12.611 -3.796 9.786 1.00 0.00 C ATOM 190 CG GLN A 15 -12.327 -5.256 9.472 1.00 0.00 C ATOM 191 CD GLN A 15 -13.011 -6.204 10.436 1.00 0.00 C ATOM 192 OE1 GLN A 15 -14.227 -6.390 10.384 1.00 0.00 O ATOM 193 NE2 GLN A 15 -12.232 -6.811 11.323 1.00 0.00 N ATOM 0 H GLN A 15 -13.307 -4.285 7.256 1.00 0.00 H new ATOM 0 HA GLN A 15 -12.764 -1.860 8.865 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -11.922 -3.459 10.560 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.617 -3.710 10.196 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -12.657 -5.476 8.457 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -11.251 -5.427 9.502 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -11.229 -6.628 11.331 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -12.637 -7.461 11.997 1.00 0.00 H new ATOM 202 N HIS A 16 -10.315 -1.802 8.431 1.00 0.00 N ATOM 203 CA HIS A 16 -8.922 -1.665 8.023 1.00 0.00 C ATOM 204 C HIS A 16 -8.206 -3.011 8.072 1.00 0.00 C ATOM 205 O HIS A 16 -7.786 -3.539 7.042 1.00 0.00 O ATOM 206 CB HIS A 16 -8.202 -0.658 8.920 1.00 0.00 C ATOM 207 CG HIS A 16 -9.079 0.462 9.388 1.00 0.00 C ATOM 208 ND1 HIS A 16 -9.920 0.545 10.446 1.00 0.00 N flip ATOM 209 CD2 HIS A 16 -9.159 1.677 8.741 1.00 0.00 C flip ATOM 210 CE1 HIS A 16 -10.485 1.796 10.420 1.00 0.00 C flip ATOM 211 NE2 HIS A 16 -10.009 2.460 9.382 1.00 0.00 N flip ATOM 0 H HIS A 16 -10.665 -1.031 9.000 1.00 0.00 H new ATOM 0 HA HIS A 16 -8.905 -1.302 6.995 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.799 -1.180 9.788 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -7.354 -0.242 8.377 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -8.612 1.947 7.849 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -11.202 2.176 11.133 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -10.255 3.414 9.120 1.00 0.00 H new ATOM 219 N GLN A 17 -8.070 -3.560 9.275 1.00 0.00 N ATOM 220 CA GLN A 17 -7.404 -4.844 9.457 1.00 0.00 C ATOM 221 C GLN A 17 -7.652 -5.761 8.264 1.00 0.00 C ATOM 222 O GLN A 17 -6.722 -6.123 7.542 1.00 0.00 O ATOM 223 CB GLN A 17 -7.890 -5.517 10.742 1.00 0.00 C ATOM 224 CG GLN A 17 -7.213 -4.992 11.998 1.00 0.00 C ATOM 225 CD GLN A 17 -7.062 -3.483 11.992 1.00 0.00 C ATOM 226 OE1 GLN A 17 -7.997 -2.753 12.322 1.00 0.00 O ATOM 227 NE2 GLN A 17 -5.880 -3.008 11.616 1.00 0.00 N ATOM 0 H GLN A 17 -8.412 -3.136 10.137 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.332 -4.660 9.534 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -8.967 -5.373 10.833 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -7.717 -6.591 10.668 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.793 -5.292 12.871 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.229 -5.451 12.095 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -5.133 -3.650 11.351 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.719 -2.001 11.593 1.00 0.00 H new ATOM 236 N LEU A 18 -8.911 -6.133 8.062 1.00 0.00 N ATOM 237 CA LEU A 18 -9.282 -7.008 6.956 1.00 0.00 C ATOM 238 C LEU A 18 -8.587 -6.581 5.667 1.00 0.00 C ATOM 239 O LEU A 18 -7.725 -7.292 5.150 1.00 0.00 O ATOM 240 CB LEU A 18 -10.799 -6.999 6.759 1.00 0.00 C ATOM 241 CG LEU A 18 -11.401 -8.254 6.126 1.00 0.00 C ATOM 242 CD1 LEU A 18 -11.238 -9.449 7.052 1.00 0.00 C ATOM 243 CD2 LEU A 18 -12.870 -8.031 5.794 1.00 0.00 C ATOM 0 H LEU A 18 -9.692 -5.842 8.650 1.00 0.00 H new ATOM 0 HA LEU A 18 -8.960 -8.020 7.202 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.270 -6.844 7.730 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.060 -6.142 6.138 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.867 -8.463 5.199 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.672 -10.333 6.585 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -10.178 -9.622 7.240 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -11.746 -9.250 7.995 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -13.283 -8.934 5.344 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -13.418 -7.797 6.707 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -12.963 -7.202 5.093 1.00 0.00 H new ATOM 255 N ILE A 19 -8.968 -5.416 5.154 1.00 0.00 N ATOM 256 CA ILE A 19 -8.379 -4.893 3.928 1.00 0.00 C ATOM 257 C ILE A 19 -6.908 -5.278 3.816 1.00 0.00 C ATOM 258 O ILE A 19 -6.504 -5.964 2.876 1.00 0.00 O ATOM 259 CB ILE A 19 -8.504 -3.359 3.853 1.00 0.00 C ATOM 260 CG1 ILE A 19 -9.977 -2.946 3.828 1.00 0.00 C ATOM 261 CG2 ILE A 19 -7.778 -2.828 2.625 1.00 0.00 C ATOM 262 CD1 ILE A 19 -10.223 -1.554 4.367 1.00 0.00 C ATOM 0 H ILE A 19 -9.682 -4.817 5.568 1.00 0.00 H new ATOM 0 HA ILE A 19 -8.932 -5.336 3.099 1.00 0.00 H new ATOM 0 HB ILE A 19 -8.040 -2.927 4.740 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -10.344 -3.000 2.803 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -10.556 -3.661 4.412 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.875 -1.743 2.586 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -6.723 -3.096 2.682 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.215 -3.264 1.727 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.288 -1.328 4.319 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -9.887 -1.500 5.403 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -9.671 -0.829 3.768 1.00 0.00 H new ATOM 274 N LEU A 20 -6.111 -4.834 4.782 1.00 0.00 N ATOM 275 CA LEU A 20 -4.684 -5.133 4.795 1.00 0.00 C ATOM 276 C LEU A 20 -4.429 -6.587 4.410 1.00 0.00 C ATOM 277 O LEU A 20 -3.545 -6.881 3.605 1.00 0.00 O ATOM 278 CB LEU A 20 -4.095 -4.849 6.177 1.00 0.00 C ATOM 279 CG LEU A 20 -3.817 -3.380 6.500 1.00 0.00 C ATOM 280 CD1 LEU A 20 -3.884 -3.142 8.000 1.00 0.00 C ATOM 281 CD2 LEU A 20 -2.462 -2.960 5.951 1.00 0.00 C ATOM 0 H LEU A 20 -6.429 -4.265 5.567 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.197 -4.491 4.061 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -4.779 -5.242 6.929 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.162 -5.404 6.273 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.584 -2.771 6.022 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.684 -2.092 8.211 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.877 -3.403 8.366 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.139 -3.761 8.500 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.281 -1.912 6.190 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.681 -3.574 6.400 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.451 -3.092 4.869 1.00 0.00 H new ATOM 293 N SER A 21 -5.211 -7.493 4.988 1.00 0.00 N ATOM 294 CA SER A 21 -5.069 -8.916 4.707 1.00 0.00 C ATOM 295 C SER A 21 -5.407 -9.219 3.251 1.00 0.00 C ATOM 296 O SER A 21 -4.718 -9.996 2.589 1.00 0.00 O ATOM 297 CB SER A 21 -5.974 -9.733 5.633 1.00 0.00 C ATOM 298 OG SER A 21 -6.006 -11.095 5.242 1.00 0.00 O ATOM 0 H SER A 21 -5.950 -7.266 5.654 1.00 0.00 H new ATOM 0 HA SER A 21 -4.031 -9.194 4.886 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.616 -9.654 6.659 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.984 -9.322 5.615 1.00 0.00 H new ATOM 0 HG SER A 21 -6.589 -11.596 5.850 1.00 0.00 H new ATOM 304 N LYS A 22 -6.473 -8.599 2.756 1.00 0.00 N ATOM 305 CA LYS A 22 -6.904 -8.799 1.377 1.00 0.00 C ATOM 306 C LYS A 22 -5.766 -8.508 0.404 1.00 0.00 C ATOM 307 O LYS A 22 -5.680 -9.114 -0.665 1.00 0.00 O ATOM 308 CB LYS A 22 -8.102 -7.900 1.061 1.00 0.00 C ATOM 309 CG LYS A 22 -9.444 -8.566 1.309 1.00 0.00 C ATOM 310 CD LYS A 22 -9.661 -8.850 2.785 1.00 0.00 C ATOM 311 CE LYS A 22 -10.515 -10.092 2.994 1.00 0.00 C ATOM 312 NZ LYS A 22 -9.685 -11.323 3.107 1.00 0.00 N ATOM 0 H LYS A 22 -7.055 -7.953 3.290 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.199 -9.842 1.262 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.037 -6.996 1.667 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.047 -7.589 0.018 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.244 -7.924 0.940 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -9.498 -9.498 0.746 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.697 -8.983 3.277 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.143 -7.992 3.255 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.114 -9.973 3.897 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -11.211 -10.198 2.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.304 -12.147 3.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.133 -11.450 2.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.038 -11.233 3.916 1.00 0.00 H new ATOM 326 N LEU A 23 -4.893 -7.580 0.781 1.00 0.00 N ATOM 327 CA LEU A 23 -3.759 -7.211 -0.058 1.00 0.00 C ATOM 328 C LEU A 23 -2.698 -8.307 -0.053 1.00 0.00 C ATOM 329 O LEU A 23 -2.214 -8.722 -1.107 1.00 0.00 O ATOM 330 CB LEU A 23 -3.150 -5.894 0.424 1.00 0.00 C ATOM 331 CG LEU A 23 -4.132 -4.745 0.657 1.00 0.00 C ATOM 332 CD1 LEU A 23 -3.399 -3.506 1.145 1.00 0.00 C ATOM 333 CD2 LEU A 23 -4.907 -4.441 -0.617 1.00 0.00 C ATOM 0 H LEU A 23 -4.949 -7.070 1.662 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.120 -7.085 -1.079 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.616 -6.083 1.355 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.410 -5.570 -0.308 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.841 -5.049 1.427 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -4.114 -2.699 1.305 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.889 -3.730 2.082 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.667 -3.199 0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -5.601 -3.621 -0.434 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.212 -4.158 -1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.464 -5.326 -0.924 1.00 0.00 H new ATOM 345 N LEU A 24 -2.343 -8.773 1.139 1.00 0.00 N ATOM 346 CA LEU A 24 -1.340 -9.824 1.282 1.00 0.00 C ATOM 347 C LEU A 24 -1.662 -11.010 0.379 1.00 0.00 C ATOM 348 O LEU A 24 -0.770 -11.594 -0.236 1.00 0.00 O ATOM 349 CB LEU A 24 -1.260 -10.284 2.739 1.00 0.00 C ATOM 350 CG LEU A 24 -0.590 -9.315 3.713 1.00 0.00 C ATOM 351 CD1 LEU A 24 -0.858 -9.732 5.151 1.00 0.00 C ATOM 352 CD2 LEU A 24 0.907 -9.242 3.448 1.00 0.00 C ATOM 0 H LEU A 24 -2.734 -8.440 2.020 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.375 -9.415 0.983 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -2.272 -10.481 3.093 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.721 -11.231 2.771 1.00 0.00 H new ATOM 0 HG LEU A 24 -1.015 -8.323 3.558 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.373 -9.030 5.830 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.932 -9.732 5.336 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.461 -10.733 5.320 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.367 -8.547 4.151 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.347 -10.231 3.574 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.080 -8.895 2.429 1.00 0.00 H new ATOM 364 N ARG A 25 -2.942 -11.358 0.302 1.00 0.00 N ATOM 365 CA ARG A 25 -3.382 -12.474 -0.527 1.00 0.00 C ATOM 366 C ARG A 25 -2.775 -12.385 -1.925 1.00 0.00 C ATOM 367 O ARG A 25 -2.243 -13.366 -2.444 1.00 0.00 O ATOM 368 CB ARG A 25 -4.908 -12.496 -0.623 1.00 0.00 C ATOM 369 CG ARG A 25 -5.593 -12.935 0.661 1.00 0.00 C ATOM 370 CD ARG A 25 -7.087 -13.129 0.458 1.00 0.00 C ATOM 371 NE ARG A 25 -7.701 -11.987 -0.215 1.00 0.00 N ATOM 372 CZ ARG A 25 -7.821 -11.889 -1.535 1.00 0.00 C ATOM 373 NH1 ARG A 25 -7.372 -12.860 -2.318 1.00 0.00 N ATOM 374 NH2 ARG A 25 -8.391 -10.819 -2.073 1.00 0.00 N ATOM 0 H ARG A 25 -3.693 -10.883 0.804 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.041 -13.398 -0.059 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -5.261 -11.500 -0.891 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.203 -13.167 -1.430 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.149 -13.867 1.011 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.424 -12.189 1.438 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.259 -14.031 -0.129 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.567 -13.281 1.424 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.057 -11.223 0.360 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.933 -13.684 -1.908 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -7.465 -12.783 -3.331 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.738 -10.070 -1.474 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.482 -10.745 -3.086 1.00 0.00 H new ATOM 388 N GLU A 26 -2.861 -11.203 -2.527 1.00 0.00 N ATOM 389 CA GLU A 26 -2.321 -10.987 -3.865 1.00 0.00 C ATOM 390 C GLU A 26 -0.888 -11.502 -3.963 1.00 0.00 C ATOM 391 O GLU A 26 -0.093 -11.332 -3.040 1.00 0.00 O ATOM 392 CB GLU A 26 -2.366 -9.501 -4.223 1.00 0.00 C ATOM 393 CG GLU A 26 -3.765 -8.909 -4.192 1.00 0.00 C ATOM 394 CD GLU A 26 -3.931 -7.752 -5.158 1.00 0.00 C ATOM 395 OE1 GLU A 26 -3.188 -7.705 -6.160 1.00 0.00 O ATOM 396 OE2 GLU A 26 -4.804 -6.894 -4.912 1.00 0.00 O ATOM 0 H GLU A 26 -3.299 -10.381 -2.110 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.937 -11.542 -4.572 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.732 -8.949 -3.529 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.944 -9.363 -5.219 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -4.490 -9.686 -4.434 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.989 -8.568 -3.181 1.00 0.00 H new ATOM 403 N GLU A 27 -0.568 -12.133 -5.088 1.00 0.00 N ATOM 404 CA GLU A 27 0.769 -12.674 -5.306 1.00 0.00 C ATOM 405 C GLU A 27 1.817 -11.566 -5.268 1.00 0.00 C ATOM 406 O GLU A 27 3.016 -11.834 -5.191 1.00 0.00 O ATOM 407 CB GLU A 27 0.834 -13.406 -6.648 1.00 0.00 C ATOM 408 CG GLU A 27 2.212 -13.957 -6.975 1.00 0.00 C ATOM 409 CD GLU A 27 2.166 -15.072 -8.001 1.00 0.00 C ATOM 410 OE1 GLU A 27 1.563 -16.125 -7.708 1.00 0.00 O ATOM 411 OE2 GLU A 27 2.734 -14.891 -9.099 1.00 0.00 O ATOM 0 H GLU A 27 -1.215 -12.282 -5.862 1.00 0.00 H new ATOM 0 HA GLU A 27 0.983 -13.380 -4.504 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.116 -14.227 -6.640 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.528 -12.723 -7.440 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.842 -13.150 -7.349 1.00 0.00 H new ATOM 0 HG3 GLU A 27 2.677 -14.328 -6.062 1.00 0.00 H new ATOM 418 N ASP A 28 1.356 -10.321 -5.323 1.00 0.00 N ATOM 419 CA ASP A 28 2.253 -9.171 -5.294 1.00 0.00 C ATOM 420 C ASP A 28 2.611 -8.798 -3.859 1.00 0.00 C ATOM 421 O ASP A 28 3.589 -8.092 -3.617 1.00 0.00 O ATOM 422 CB ASP A 28 1.608 -7.977 -5.999 1.00 0.00 C ATOM 423 CG ASP A 28 0.096 -7.986 -5.889 1.00 0.00 C ATOM 424 OD1 ASP A 28 -0.420 -7.678 -4.795 1.00 0.00 O ATOM 425 OD2 ASP A 28 -0.571 -8.303 -6.897 1.00 0.00 O ATOM 0 H ASP A 28 0.366 -10.082 -5.388 1.00 0.00 H new ATOM 0 HA ASP A 28 3.169 -9.442 -5.819 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.995 -7.053 -5.569 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.893 -7.983 -7.051 1.00 0.00 H new ATOM 430 N ASN A 29 1.812 -9.276 -2.911 1.00 0.00 N ATOM 431 CA ASN A 29 2.043 -8.991 -1.499 1.00 0.00 C ATOM 432 C ASN A 29 2.170 -10.283 -0.697 1.00 0.00 C ATOM 433 O ASN A 29 2.057 -10.279 0.529 1.00 0.00 O ATOM 434 CB ASN A 29 0.906 -8.137 -0.937 1.00 0.00 C ATOM 435 CG ASN A 29 0.722 -6.841 -1.702 1.00 0.00 C ATOM 436 OD1 ASN A 29 1.336 -6.633 -2.749 1.00 0.00 O ATOM 437 ND2 ASN A 29 -0.126 -5.962 -1.182 1.00 0.00 N ATOM 0 H ASN A 29 0.998 -9.863 -3.095 1.00 0.00 H new ATOM 0 HA ASN A 29 2.979 -8.438 -1.414 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -0.022 -8.708 -0.967 1.00 0.00 H new ATOM 0 HB3 ASN A 29 1.108 -7.912 0.110 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.290 -5.072 -1.653 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.613 -6.177 -0.312 1.00 0.00 H new ATOM 444 N LYS A 30 2.405 -11.387 -1.397 1.00 0.00 N ATOM 445 CA LYS A 30 2.549 -12.687 -0.752 1.00 0.00 C ATOM 446 C LYS A 30 3.936 -12.837 -0.135 1.00 0.00 C ATOM 447 O LYS A 30 4.132 -13.622 0.793 1.00 0.00 O ATOM 448 CB LYS A 30 2.304 -13.810 -1.762 1.00 0.00 C ATOM 449 CG LYS A 30 0.837 -14.164 -1.933 1.00 0.00 C ATOM 450 CD LYS A 30 0.664 -15.534 -2.567 1.00 0.00 C ATOM 451 CE LYS A 30 -0.680 -16.149 -2.209 1.00 0.00 C ATOM 452 NZ LYS A 30 -0.735 -16.570 -0.782 1.00 0.00 N ATOM 0 H LYS A 30 2.500 -11.408 -2.412 1.00 0.00 H new ATOM 0 HA LYS A 30 1.807 -12.754 0.044 1.00 0.00 H new ATOM 0 HB2 LYS A 30 2.713 -13.514 -2.728 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.849 -14.699 -1.444 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.342 -14.146 -0.962 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.350 -13.411 -2.553 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.749 -15.448 -3.650 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.467 -16.193 -2.236 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.473 -15.428 -2.406 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.867 -17.011 -2.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.517 -17.242 -0.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.162 -17.026 -0.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.889 -15.736 -0.180 1.00 0.00 H new ATOM 466 N TYR A 31 4.895 -12.079 -0.655 1.00 0.00 N ATOM 467 CA TYR A 31 6.264 -12.129 -0.156 1.00 0.00 C ATOM 468 C TYR A 31 6.780 -10.729 0.160 1.00 0.00 C ATOM 469 O TYR A 31 6.169 -9.729 -0.217 1.00 0.00 O ATOM 470 CB TYR A 31 7.179 -12.802 -1.181 1.00 0.00 C ATOM 471 CG TYR A 31 6.576 -14.038 -1.811 1.00 0.00 C ATOM 472 CD1 TYR A 31 6.101 -15.081 -1.025 1.00 0.00 C ATOM 473 CD2 TYR A 31 6.483 -14.163 -3.191 1.00 0.00 C ATOM 474 CE1 TYR A 31 5.550 -16.212 -1.596 1.00 0.00 C ATOM 475 CE2 TYR A 31 5.933 -15.289 -3.771 1.00 0.00 C ATOM 476 CZ TYR A 31 5.468 -16.311 -2.969 1.00 0.00 C ATOM 477 OH TYR A 31 4.920 -17.436 -3.543 1.00 0.00 O ATOM 0 H TYR A 31 4.749 -11.423 -1.422 1.00 0.00 H new ATOM 0 HA TYR A 31 6.267 -12.714 0.764 1.00 0.00 H new ATOM 0 HB2 TYR A 31 7.421 -12.085 -1.966 1.00 0.00 H new ATOM 0 HB3 TYR A 31 8.117 -13.072 -0.696 1.00 0.00 H new ATOM 0 HD1 TYR A 31 6.164 -15.006 0.051 1.00 0.00 H new ATOM 0 HD2 TYR A 31 6.847 -13.366 -3.822 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.186 -17.014 -0.971 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.867 -15.369 -4.846 1.00 0.00 H new ATOM 0 HH TYR A 31 4.936 -17.346 -4.519 1.00 0.00 H new ATOM 487 N CYS A 32 7.911 -10.665 0.855 1.00 0.00 N ATOM 488 CA CYS A 32 8.512 -9.389 1.223 1.00 0.00 C ATOM 489 C CYS A 32 8.822 -8.555 -0.017 1.00 0.00 C ATOM 490 O CYS A 32 8.839 -9.070 -1.134 1.00 0.00 O ATOM 491 CB CYS A 32 9.792 -9.618 2.030 1.00 0.00 C ATOM 492 SG CYS A 32 10.459 -8.113 2.810 1.00 0.00 S ATOM 0 H CYS A 32 8.430 -11.483 1.175 1.00 0.00 H new ATOM 0 HA CYS A 32 7.796 -8.843 1.837 1.00 0.00 H new ATOM 0 HB2 CYS A 32 9.593 -10.358 2.805 1.00 0.00 H new ATOM 0 HB3 CYS A 32 10.552 -10.041 1.373 1.00 0.00 H new ATOM 497 N ALA A 33 9.066 -7.266 0.190 1.00 0.00 N ATOM 498 CA ALA A 33 9.378 -6.361 -0.910 1.00 0.00 C ATOM 499 C ALA A 33 10.885 -6.210 -1.086 1.00 0.00 C ATOM 500 O ALA A 33 11.347 -5.498 -1.979 1.00 0.00 O ATOM 501 CB ALA A 33 8.733 -5.003 -0.676 1.00 0.00 C ATOM 0 H ALA A 33 9.054 -6.824 1.109 1.00 0.00 H new ATOM 0 HA ALA A 33 8.973 -6.790 -1.827 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.974 -4.338 -1.505 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.651 -5.121 -0.608 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.110 -4.576 0.253 1.00 0.00 H new ATOM 507 N ASP A 34 11.646 -6.882 -0.230 1.00 0.00 N ATOM 508 CA ASP A 34 13.102 -6.822 -0.291 1.00 0.00 C ATOM 509 C ASP A 34 13.701 -8.223 -0.368 1.00 0.00 C ATOM 510 O ASP A 34 14.324 -8.590 -1.365 1.00 0.00 O ATOM 511 CB ASP A 34 13.655 -6.084 0.928 1.00 0.00 C ATOM 512 CG ASP A 34 12.880 -4.818 1.240 1.00 0.00 C ATOM 513 OD1 ASP A 34 12.665 -4.010 0.312 1.00 0.00 O ATOM 514 OD2 ASP A 34 12.488 -4.637 2.411 1.00 0.00 O ATOM 0 H ASP A 34 11.279 -7.475 0.515 1.00 0.00 H new ATOM 0 HA ASP A 34 13.381 -6.277 -1.193 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.627 -6.746 1.793 1.00 0.00 H new ATOM 0 HB3 ASP A 34 14.701 -5.832 0.753 1.00 0.00 H new ATOM 519 N CYS A 35 13.509 -9.002 0.691 1.00 0.00 N ATOM 520 CA CYS A 35 14.030 -10.362 0.745 1.00 0.00 C ATOM 521 C CYS A 35 13.033 -11.352 0.149 1.00 0.00 C ATOM 522 O CYS A 35 13.308 -12.548 0.061 1.00 0.00 O ATOM 523 CB CYS A 35 14.349 -10.751 2.190 1.00 0.00 C ATOM 524 SG CYS A 35 12.878 -11.028 3.228 1.00 0.00 S ATOM 0 H CYS A 35 12.996 -8.714 1.524 1.00 0.00 H new ATOM 0 HA CYS A 35 14.946 -10.397 0.155 1.00 0.00 H new ATOM 0 HB2 CYS A 35 14.953 -11.658 2.186 1.00 0.00 H new ATOM 0 HB3 CYS A 35 14.956 -9.966 2.641 1.00 0.00 H new ATOM 529 N GLU A 36 11.874 -10.843 -0.257 1.00 0.00 N ATOM 530 CA GLU A 36 10.836 -11.682 -0.844 1.00 0.00 C ATOM 531 C GLU A 36 10.573 -12.909 0.024 1.00 0.00 C ATOM 532 O GLU A 36 10.287 -13.992 -0.485 1.00 0.00 O ATOM 533 CB GLU A 36 11.238 -12.118 -2.255 1.00 0.00 C ATOM 534 CG GLU A 36 10.813 -11.141 -3.338 1.00 0.00 C ATOM 535 CD GLU A 36 11.668 -9.889 -3.363 1.00 0.00 C ATOM 536 OE1 GLU A 36 12.232 -9.534 -2.306 1.00 0.00 O ATOM 537 OE2 GLU A 36 11.772 -9.264 -4.439 1.00 0.00 O ATOM 0 H GLU A 36 11.631 -9.855 -0.190 1.00 0.00 H new ATOM 0 HA GLU A 36 9.919 -11.095 -0.901 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.320 -12.242 -2.293 1.00 0.00 H new ATOM 0 HB3 GLU A 36 10.798 -13.093 -2.464 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.869 -11.634 -4.309 1.00 0.00 H new ATOM 0 HG3 GLU A 36 9.771 -10.862 -3.182 1.00 0.00 H new ATOM 544 N ALA A 37 10.672 -12.730 1.337 1.00 0.00 N ATOM 545 CA ALA A 37 10.444 -13.821 2.276 1.00 0.00 C ATOM 546 C ALA A 37 9.003 -14.313 2.206 1.00 0.00 C ATOM 547 O ALA A 37 8.119 -13.612 1.712 1.00 0.00 O ATOM 548 CB ALA A 37 10.784 -13.379 3.692 1.00 0.00 C ATOM 0 H ALA A 37 10.909 -11.839 1.774 1.00 0.00 H new ATOM 0 HA ALA A 37 11.097 -14.648 1.999 1.00 0.00 H new ATOM 0 HB1 ALA A 37 10.609 -14.204 4.383 1.00 0.00 H new ATOM 0 HB2 ALA A 37 11.832 -13.083 3.739 1.00 0.00 H new ATOM 0 HB3 ALA A 37 10.155 -12.533 3.970 1.00 0.00 H new ATOM 554 N LYS A 38 8.771 -15.524 2.702 1.00 0.00 N ATOM 555 CA LYS A 38 7.437 -16.112 2.696 1.00 0.00 C ATOM 556 C LYS A 38 6.693 -15.785 3.987 1.00 0.00 C ATOM 557 O LYS A 38 7.113 -16.180 5.074 1.00 0.00 O ATOM 558 CB LYS A 38 7.525 -17.629 2.516 1.00 0.00 C ATOM 559 CG LYS A 38 6.330 -18.227 1.794 1.00 0.00 C ATOM 560 CD LYS A 38 6.719 -19.463 1.001 1.00 0.00 C ATOM 561 CE LYS A 38 7.338 -19.094 -0.338 1.00 0.00 C ATOM 562 NZ LYS A 38 7.369 -20.253 -1.273 1.00 0.00 N ATOM 0 H LYS A 38 9.491 -16.118 3.114 1.00 0.00 H new ATOM 0 HA LYS A 38 6.884 -15.685 1.859 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.432 -17.868 1.960 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.619 -18.098 3.496 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.558 -18.487 2.519 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.900 -17.484 1.123 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.426 -20.059 1.578 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.838 -20.084 0.837 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.771 -18.279 -0.788 1.00 0.00 H new ATOM 0 HE3 LYS A 38 8.352 -18.727 -0.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.798 -19.961 -2.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.931 -21.021 -0.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 6.399 -20.587 -1.444 1.00 0.00 H new ATOM 576 N GLY A 39 5.585 -15.061 3.860 1.00 0.00 N ATOM 577 CA GLY A 39 4.800 -14.695 5.024 1.00 0.00 C ATOM 578 C GLY A 39 5.171 -13.330 5.568 1.00 0.00 C ATOM 579 O GLY A 39 5.522 -13.179 6.738 1.00 0.00 O ATOM 0 H GLY A 39 5.217 -14.721 2.971 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.742 -14.703 4.762 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.941 -15.444 5.803 1.00 0.00 H new ATOM 583 N PRO A 40 5.097 -12.305 4.706 1.00 0.00 N ATOM 584 CA PRO A 40 5.426 -10.928 5.084 1.00 0.00 C ATOM 585 C PRO A 40 4.398 -10.327 6.037 1.00 0.00 C ATOM 586 O PRO A 40 3.493 -9.607 5.616 1.00 0.00 O ATOM 587 CB PRO A 40 5.416 -10.181 3.747 1.00 0.00 C ATOM 588 CG PRO A 40 4.510 -10.980 2.874 1.00 0.00 C ATOM 589 CD PRO A 40 4.687 -12.412 3.296 1.00 0.00 C ATOM 0 HA PRO A 40 6.376 -10.867 5.615 1.00 0.00 H new ATOM 0 HB2 PRO A 40 5.052 -9.160 3.866 1.00 0.00 H new ATOM 0 HB3 PRO A 40 6.418 -10.115 3.323 1.00 0.00 H new ATOM 0 HG2 PRO A 40 3.474 -10.663 2.993 1.00 0.00 H new ATOM 0 HG3 PRO A 40 4.765 -10.848 1.822 1.00 0.00 H new ATOM 0 HD2 PRO A 40 3.763 -12.980 3.188 1.00 0.00 H new ATOM 0 HD3 PRO A 40 5.443 -12.917 2.695 1.00 0.00 H new ATOM 597 N ARG A 41 4.545 -10.628 7.323 1.00 0.00 N ATOM 598 CA ARG A 41 3.629 -10.118 8.336 1.00 0.00 C ATOM 599 C ARG A 41 3.687 -8.595 8.405 1.00 0.00 C ATOM 600 O ARG A 41 2.783 -7.907 7.929 1.00 0.00 O ATOM 601 CB ARG A 41 3.964 -10.714 9.705 1.00 0.00 C ATOM 602 CG ARG A 41 3.311 -9.982 10.865 1.00 0.00 C ATOM 603 CD ARG A 41 1.794 -10.058 10.788 1.00 0.00 C ATOM 604 NE ARG A 41 1.276 -11.284 11.390 1.00 0.00 N ATOM 605 CZ ARG A 41 -0.016 -11.516 11.590 1.00 0.00 C ATOM 606 NH1 ARG A 41 -0.918 -10.610 11.236 1.00 0.00 N ATOM 607 NH2 ARG A 41 -0.409 -12.656 12.143 1.00 0.00 N ATOM 0 H ARG A 41 5.289 -11.222 7.688 1.00 0.00 H new ATOM 0 HA ARG A 41 2.618 -10.414 8.056 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.651 -11.758 9.723 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.045 -10.702 9.842 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.651 -10.413 11.807 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.625 -8.938 10.861 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.362 -9.195 11.294 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.481 -10.006 9.745 1.00 0.00 H new ATOM 0 HE ARG A 41 1.944 -12.002 11.672 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.620 -9.733 10.809 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -1.910 -10.790 11.391 1.00 0.00 H new ATOM 0 HH21 ARG A 41 0.282 -13.356 12.415 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.402 -12.833 12.296 1.00 0.00 H new ATOM 621 N TRP A 42 4.754 -8.075 9.000 1.00 0.00 N ATOM 622 CA TRP A 42 4.930 -6.633 9.131 1.00 0.00 C ATOM 623 C TRP A 42 4.676 -5.931 7.802 1.00 0.00 C ATOM 624 O TRP A 42 4.596 -6.573 6.755 1.00 0.00 O ATOM 625 CB TRP A 42 6.340 -6.314 9.629 1.00 0.00 C ATOM 626 CG TRP A 42 6.645 -6.908 10.971 1.00 0.00 C ATOM 627 CD1 TRP A 42 7.028 -8.193 11.231 1.00 0.00 C ATOM 628 CD2 TRP A 42 6.589 -6.240 12.237 1.00 0.00 C ATOM 629 NE1 TRP A 42 7.214 -8.364 12.582 1.00 0.00 N ATOM 630 CE2 TRP A 42 6.952 -7.181 13.220 1.00 0.00 C ATOM 631 CE3 TRP A 42 6.271 -4.939 12.634 1.00 0.00 C ATOM 632 CZ2 TRP A 42 7.003 -6.860 14.574 1.00 0.00 C ATOM 633 CZ3 TRP A 42 6.322 -4.622 13.978 1.00 0.00 C ATOM 634 CH2 TRP A 42 6.686 -5.578 14.935 1.00 0.00 C ATOM 0 H TRP A 42 5.511 -8.630 9.400 1.00 0.00 H new ATOM 0 HA TRP A 42 4.204 -6.268 9.858 1.00 0.00 H new ATOM 0 HB2 TRP A 42 7.066 -6.682 8.904 1.00 0.00 H new ATOM 0 HB3 TRP A 42 6.463 -5.232 9.682 1.00 0.00 H new ATOM 0 HD1 TRP A 42 7.165 -8.962 10.485 1.00 0.00 H new ATOM 0 HE1 TRP A 42 7.501 -9.231 13.036 1.00 0.00 H new ATOM 0 HE3 TRP A 42 5.990 -4.194 11.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 7.283 -7.596 15.313 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.077 -3.619 14.296 1.00 0.00 H new ATOM 0 HH2 TRP A 42 6.717 -5.298 15.978 1.00 0.00 H new ATOM 645 N ALA A 43 4.551 -4.609 7.851 1.00 0.00 N ATOM 646 CA ALA A 43 4.308 -3.819 6.649 1.00 0.00 C ATOM 647 C ALA A 43 4.553 -2.337 6.908 1.00 0.00 C ATOM 648 O ALA A 43 4.172 -1.808 7.952 1.00 0.00 O ATOM 649 CB ALA A 43 2.889 -4.043 6.149 1.00 0.00 C ATOM 0 H ALA A 43 4.614 -4.062 8.710 1.00 0.00 H new ATOM 0 HA ALA A 43 5.008 -4.147 5.880 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.721 -3.447 5.252 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.748 -5.098 5.916 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.180 -3.744 6.921 1.00 0.00 H new ATOM 655 N SER A 44 5.192 -1.671 5.951 1.00 0.00 N ATOM 656 CA SER A 44 5.492 -0.250 6.077 1.00 0.00 C ATOM 657 C SER A 44 4.462 0.591 5.329 1.00 0.00 C ATOM 658 O SER A 44 4.402 0.568 4.100 1.00 0.00 O ATOM 659 CB SER A 44 6.895 0.047 5.544 1.00 0.00 C ATOM 660 OG SER A 44 7.476 1.146 6.222 1.00 0.00 O ATOM 0 H SER A 44 5.512 -2.094 5.079 1.00 0.00 H new ATOM 0 HA SER A 44 5.451 0.012 7.134 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.527 -0.833 5.664 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.844 0.260 4.476 1.00 0.00 H new ATOM 0 HG SER A 44 7.207 1.128 7.164 1.00 0.00 H new ATOM 666 N TRP A 45 3.655 1.332 6.079 1.00 0.00 N ATOM 667 CA TRP A 45 2.627 2.181 5.488 1.00 0.00 C ATOM 668 C TRP A 45 3.243 3.430 4.867 1.00 0.00 C ATOM 669 O TRP A 45 3.009 3.733 3.698 1.00 0.00 O ATOM 670 CB TRP A 45 1.594 2.578 6.544 1.00 0.00 C ATOM 671 CG TRP A 45 2.173 3.383 7.667 1.00 0.00 C ATOM 672 CD1 TRP A 45 2.966 2.925 8.680 1.00 0.00 C ATOM 673 CD2 TRP A 45 2.002 4.787 7.892 1.00 0.00 C ATOM 674 NE1 TRP A 45 3.298 3.960 9.522 1.00 0.00 N ATOM 675 CE2 TRP A 45 2.720 5.112 9.060 1.00 0.00 C ATOM 676 CE3 TRP A 45 1.314 5.801 7.221 1.00 0.00 C ATOM 677 CZ2 TRP A 45 2.767 6.408 9.568 1.00 0.00 C ATOM 678 CZ3 TRP A 45 1.361 7.086 7.726 1.00 0.00 C ATOM 679 CH2 TRP A 45 2.084 7.381 8.890 1.00 0.00 C ATOM 0 H TRP A 45 3.692 1.362 7.098 1.00 0.00 H new ATOM 0 HA TRP A 45 2.131 1.613 4.701 1.00 0.00 H new ATOM 0 HB2 TRP A 45 0.799 3.152 6.067 1.00 0.00 H new ATOM 0 HB3 TRP A 45 1.136 1.677 6.951 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.285 1.901 8.802 1.00 0.00 H new ATOM 0 HE1 TRP A 45 3.880 3.882 10.356 1.00 0.00 H new ATOM 0 HE3 TRP A 45 0.755 5.584 6.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 3.323 6.637 10.465 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 0.832 7.877 7.215 1.00 0.00 H new ATOM 0 HH2 TRP A 45 2.102 8.396 9.259 1.00 0.00 H new ATOM 690 N ASN A 46 4.032 4.151 5.657 1.00 0.00 N ATOM 691 CA ASN A 46 4.682 5.367 5.184 1.00 0.00 C ATOM 692 C ASN A 46 5.126 5.218 3.732 1.00 0.00 C ATOM 693 O ASN A 46 5.170 6.194 2.983 1.00 0.00 O ATOM 694 CB ASN A 46 5.887 5.703 6.066 1.00 0.00 C ATOM 695 CG ASN A 46 7.179 5.121 5.525 1.00 0.00 C ATOM 696 OD1 ASN A 46 7.489 3.952 5.752 1.00 0.00 O ATOM 697 ND2 ASN A 46 7.939 5.938 4.805 1.00 0.00 N ATOM 0 H ASN A 46 4.236 3.914 6.628 1.00 0.00 H new ATOM 0 HA ASN A 46 3.959 6.181 5.242 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.985 6.786 6.146 1.00 0.00 H new ATOM 0 HB3 ASN A 46 5.714 5.323 7.073 1.00 0.00 H new ATOM 0 HD21 ASN A 46 8.820 5.603 4.415 1.00 0.00 H new ATOM 0 HD22 ASN A 46 7.642 6.900 4.642 1.00 0.00 H new ATOM 704 N ILE A 47 5.454 3.991 3.343 1.00 0.00 N ATOM 705 CA ILE A 47 5.892 3.713 1.981 1.00 0.00 C ATOM 706 C ILE A 47 4.807 2.992 1.190 1.00 0.00 C ATOM 707 O ILE A 47 4.538 3.326 0.037 1.00 0.00 O ATOM 708 CB ILE A 47 7.175 2.861 1.965 1.00 0.00 C ATOM 709 CG1 ILE A 47 8.343 3.647 2.565 1.00 0.00 C ATOM 710 CG2 ILE A 47 7.500 2.420 0.546 1.00 0.00 C ATOM 711 CD1 ILE A 47 9.543 2.788 2.896 1.00 0.00 C ATOM 0 H ILE A 47 5.425 3.173 3.952 1.00 0.00 H new ATOM 0 HA ILE A 47 6.099 4.676 1.514 1.00 0.00 H new ATOM 0 HB ILE A 47 7.010 1.971 2.573 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.645 4.425 1.864 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.005 4.149 3.471 1.00 0.00 H new ATOM 0 HG21 ILE A 47 8.409 1.819 0.551 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.675 1.827 0.151 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.649 3.298 -0.083 1.00 0.00 H new ATOM 0 HD11 ILE A 47 10.332 3.411 3.317 1.00 0.00 H new ATOM 0 HD12 ILE A 47 9.256 2.026 3.621 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.907 2.306 1.989 1.00 0.00 H new ATOM 723 N GLY A 48 4.184 2.000 1.819 1.00 0.00 N ATOM 724 CA GLY A 48 3.132 1.247 1.160 1.00 0.00 C ATOM 725 C GLY A 48 3.623 -0.081 0.617 1.00 0.00 C ATOM 726 O GLY A 48 3.388 -0.409 -0.545 1.00 0.00 O ATOM 0 H GLY A 48 4.389 1.704 2.773 1.00 0.00 H new ATOM 0 HA2 GLY A 48 2.320 1.070 1.865 1.00 0.00 H new ATOM 0 HA3 GLY A 48 2.721 1.841 0.343 1.00 0.00 H new ATOM 730 N VAL A 49 4.308 -0.846 1.461 1.00 0.00 N ATOM 731 CA VAL A 49 4.834 -2.145 1.060 1.00 0.00 C ATOM 732 C VAL A 49 4.914 -3.097 2.248 1.00 0.00 C ATOM 733 O VAL A 49 5.251 -2.691 3.361 1.00 0.00 O ATOM 734 CB VAL A 49 6.231 -2.014 0.426 1.00 0.00 C ATOM 735 CG1 VAL A 49 6.132 -1.404 -0.964 1.00 0.00 C ATOM 736 CG2 VAL A 49 7.144 -1.185 1.317 1.00 0.00 C ATOM 0 H VAL A 49 4.512 -0.588 2.427 1.00 0.00 H new ATOM 0 HA VAL A 49 4.144 -2.550 0.320 1.00 0.00 H new ATOM 0 HB VAL A 49 6.662 -3.010 0.329 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.129 -1.319 -1.396 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.515 -2.041 -1.598 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.681 -0.414 -0.896 1.00 0.00 H new ATOM 0 HG21 VAL A 49 8.127 -1.102 0.854 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.719 -0.190 1.447 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.240 -1.668 2.289 1.00 0.00 H new ATOM 746 N PHE A 50 4.603 -4.366 2.005 1.00 0.00 N ATOM 747 CA PHE A 50 4.640 -5.376 3.056 1.00 0.00 C ATOM 748 C PHE A 50 6.033 -5.987 3.175 1.00 0.00 C ATOM 749 O PHE A 50 6.570 -6.528 2.208 1.00 0.00 O ATOM 750 CB PHE A 50 3.612 -6.474 2.773 1.00 0.00 C ATOM 751 CG PHE A 50 2.192 -5.985 2.791 1.00 0.00 C ATOM 752 CD1 PHE A 50 1.671 -5.290 1.712 1.00 0.00 C ATOM 753 CD2 PHE A 50 1.378 -6.221 3.888 1.00 0.00 C ATOM 754 CE1 PHE A 50 0.364 -4.839 1.727 1.00 0.00 C ATOM 755 CE2 PHE A 50 0.071 -5.773 3.908 1.00 0.00 C ATOM 756 CZ PHE A 50 -0.437 -5.081 2.826 1.00 0.00 C ATOM 0 H PHE A 50 4.323 -4.719 1.090 1.00 0.00 H new ATOM 0 HA PHE A 50 4.394 -4.891 4.000 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.823 -6.916 1.799 1.00 0.00 H new ATOM 0 HB3 PHE A 50 3.725 -7.266 3.514 1.00 0.00 H new ATOM 0 HD1 PHE A 50 2.292 -5.098 0.850 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.770 -6.761 4.737 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.030 -4.298 0.880 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.553 -5.964 4.769 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.458 -4.730 2.839 1.00 0.00 H new ATOM 766 N ILE A 51 6.613 -5.894 4.367 1.00 0.00 N ATOM 767 CA ILE A 51 7.943 -6.437 4.614 1.00 0.00 C ATOM 768 C ILE A 51 7.930 -7.412 5.786 1.00 0.00 C ATOM 769 O ILE A 51 7.045 -7.361 6.641 1.00 0.00 O ATOM 770 CB ILE A 51 8.963 -5.320 4.900 1.00 0.00 C ATOM 771 CG1 ILE A 51 8.440 -4.391 5.998 1.00 0.00 C ATOM 772 CG2 ILE A 51 9.259 -4.534 3.632 1.00 0.00 C ATOM 773 CD1 ILE A 51 9.419 -3.307 6.390 1.00 0.00 C ATOM 0 H ILE A 51 6.183 -5.448 5.177 1.00 0.00 H new ATOM 0 HA ILE A 51 8.241 -6.966 3.709 1.00 0.00 H new ATOM 0 HB ILE A 51 9.891 -5.776 5.246 1.00 0.00 H new ATOM 0 HG12 ILE A 51 7.514 -3.927 5.659 1.00 0.00 H new ATOM 0 HG13 ILE A 51 8.196 -4.985 6.879 1.00 0.00 H new ATOM 0 HG21 ILE A 51 9.982 -3.748 3.851 1.00 0.00 H new ATOM 0 HG22 ILE A 51 9.669 -5.204 2.876 1.00 0.00 H new ATOM 0 HG23 ILE A 51 8.338 -4.086 3.258 1.00 0.00 H new ATOM 0 HD11 ILE A 51 8.981 -2.687 7.172 1.00 0.00 H new ATOM 0 HD12 ILE A 51 10.338 -3.763 6.760 1.00 0.00 H new ATOM 0 HD13 ILE A 51 9.645 -2.689 5.521 1.00 0.00 H new ATOM 785 N CYS A 52 8.918 -8.299 5.822 1.00 0.00 N ATOM 786 CA CYS A 52 9.023 -9.286 6.890 1.00 0.00 C ATOM 787 C CYS A 52 9.479 -8.632 8.192 1.00 0.00 C ATOM 788 O CYS A 52 9.624 -7.411 8.267 1.00 0.00 O ATOM 789 CB CYS A 52 10.000 -10.395 6.495 1.00 0.00 C ATOM 790 SG CYS A 52 11.707 -9.820 6.221 1.00 0.00 S ATOM 0 H CYS A 52 9.659 -8.355 5.123 1.00 0.00 H new ATOM 0 HA CYS A 52 8.036 -9.720 7.047 1.00 0.00 H new ATOM 0 HB2 CYS A 52 10.005 -11.155 7.276 1.00 0.00 H new ATOM 0 HB3 CYS A 52 9.639 -10.875 5.585 1.00 0.00 H new ATOM 795 N ILE A 53 9.703 -9.452 9.212 1.00 0.00 N ATOM 796 CA ILE A 53 10.143 -8.954 10.510 1.00 0.00 C ATOM 797 C ILE A 53 11.609 -8.536 10.469 1.00 0.00 C ATOM 798 O ILE A 53 11.986 -7.505 11.026 1.00 0.00 O ATOM 799 CB ILE A 53 9.952 -10.012 11.613 1.00 0.00 C ATOM 800 CG1 ILE A 53 10.460 -9.478 12.954 1.00 0.00 C ATOM 801 CG2 ILE A 53 10.673 -11.300 11.242 1.00 0.00 C ATOM 802 CD1 ILE A 53 9.737 -10.061 14.149 1.00 0.00 C ATOM 0 H ILE A 53 9.587 -10.464 9.166 1.00 0.00 H new ATOM 0 HA ILE A 53 9.526 -8.085 10.741 1.00 0.00 H new ATOM 0 HB ILE A 53 8.888 -10.229 11.709 1.00 0.00 H new ATOM 0 HG12 ILE A 53 11.525 -9.694 13.042 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.353 -8.393 12.968 1.00 0.00 H new ATOM 0 HG21 ILE A 53 10.529 -12.038 12.031 1.00 0.00 H new ATOM 0 HG22 ILE A 53 10.270 -11.686 10.306 1.00 0.00 H new ATOM 0 HG23 ILE A 53 11.738 -11.100 11.123 1.00 0.00 H new ATOM 0 HD11 ILE A 53 10.149 -9.638 15.065 1.00 0.00 H new ATOM 0 HD12 ILE A 53 8.675 -9.822 14.084 1.00 0.00 H new ATOM 0 HD13 ILE A 53 9.865 -11.143 14.159 1.00 0.00 H new ATOM 814 N ARG A 54 12.430 -9.343 9.806 1.00 0.00 N ATOM 815 CA ARG A 54 13.855 -9.056 9.692 1.00 0.00 C ATOM 816 C ARG A 54 14.085 -7.678 9.079 1.00 0.00 C ATOM 817 O ARG A 54 14.585 -6.767 9.741 1.00 0.00 O ATOM 818 CB ARG A 54 14.546 -10.125 8.844 1.00 0.00 C ATOM 819 CG ARG A 54 16.054 -9.958 8.762 1.00 0.00 C ATOM 820 CD ARG A 54 16.456 -9.097 7.575 1.00 0.00 C ATOM 821 NE ARG A 54 16.142 -9.739 6.302 1.00 0.00 N ATOM 822 CZ ARG A 54 16.919 -10.650 5.727 1.00 0.00 C ATOM 823 NH1 ARG A 54 18.050 -11.024 6.310 1.00 0.00 N ATOM 824 NH2 ARG A 54 16.566 -11.190 4.568 1.00 0.00 N ATOM 0 H ARG A 54 12.133 -10.200 9.340 1.00 0.00 H new ATOM 0 HA ARG A 54 14.283 -9.065 10.694 1.00 0.00 H new ATOM 0 HB2 ARG A 54 14.320 -11.107 9.259 1.00 0.00 H new ATOM 0 HB3 ARG A 54 14.131 -10.101 7.836 1.00 0.00 H new ATOM 0 HG2 ARG A 54 16.421 -9.505 9.683 1.00 0.00 H new ATOM 0 HG3 ARG A 54 16.525 -10.937 8.679 1.00 0.00 H new ATOM 0 HD2 ARG A 54 15.943 -8.137 7.633 1.00 0.00 H new ATOM 0 HD3 ARG A 54 17.525 -8.890 7.623 1.00 0.00 H new ATOM 0 HE ARG A 54 15.279 -9.473 5.828 1.00 0.00 H new ATOM 0 HH11 ARG A 54 18.325 -10.612 7.202 1.00 0.00 H new ATOM 0 HH12 ARG A 54 18.645 -11.724 5.867 1.00 0.00 H new ATOM 0 HH21 ARG A 54 15.697 -10.906 4.117 1.00 0.00 H new ATOM 0 HH22 ARG A 54 17.164 -11.889 4.128 1.00 0.00 H new ATOM 838 N CYS A 55 13.719 -7.532 7.810 1.00 0.00 N ATOM 839 CA CYS A 55 13.886 -6.266 7.106 1.00 0.00 C ATOM 840 C CYS A 55 13.301 -5.112 7.916 1.00 0.00 C ATOM 841 O CYS A 55 13.957 -4.093 8.126 1.00 0.00 O ATOM 842 CB CYS A 55 13.216 -6.331 5.732 1.00 0.00 C ATOM 843 SG CYS A 55 13.997 -7.504 4.578 1.00 0.00 S ATOM 0 H CYS A 55 13.305 -8.275 7.248 1.00 0.00 H new ATOM 0 HA CYS A 55 14.954 -6.090 6.974 1.00 0.00 H new ATOM 0 HB2 CYS A 55 12.170 -6.608 5.863 1.00 0.00 H new ATOM 0 HB3 CYS A 55 13.229 -5.336 5.286 1.00 0.00 H new ATOM 848 N ALA A 56 12.062 -5.281 8.367 1.00 0.00 N ATOM 849 CA ALA A 56 11.390 -4.256 9.155 1.00 0.00 C ATOM 850 C ALA A 56 12.340 -3.635 10.173 1.00 0.00 C ATOM 851 O ALA A 56 12.421 -2.414 10.297 1.00 0.00 O ATOM 852 CB ALA A 56 10.172 -4.842 9.854 1.00 0.00 C ATOM 0 H ALA A 56 11.504 -6.118 8.200 1.00 0.00 H new ATOM 0 HA ALA A 56 11.062 -3.468 8.477 1.00 0.00 H new ATOM 0 HB1 ALA A 56 9.680 -4.065 10.439 1.00 0.00 H new ATOM 0 HB2 ALA A 56 9.477 -5.231 9.110 1.00 0.00 H new ATOM 0 HB3 ALA A 56 10.485 -5.650 10.515 1.00 0.00 H new ATOM 858 N GLY A 57 13.057 -4.485 10.902 1.00 0.00 N ATOM 859 CA GLY A 57 13.991 -4.001 11.901 1.00 0.00 C ATOM 860 C GLY A 57 14.932 -2.947 11.353 1.00 0.00 C ATOM 861 O GLY A 57 15.271 -1.987 12.046 1.00 0.00 O ATOM 0 H GLY A 57 13.007 -5.500 10.818 1.00 0.00 H new ATOM 0 HA2 GLY A 57 13.436 -3.586 12.742 1.00 0.00 H new ATOM 0 HA3 GLY A 57 14.573 -4.839 12.286 1.00 0.00 H new ATOM 865 N ILE A 58 15.355 -3.125 10.106 1.00 0.00 N ATOM 866 CA ILE A 58 16.263 -2.181 9.466 1.00 0.00 C ATOM 867 C ILE A 58 15.542 -0.890 9.096 1.00 0.00 C ATOM 868 O ILE A 58 16.126 0.193 9.135 1.00 0.00 O ATOM 869 CB ILE A 58 16.898 -2.783 8.198 1.00 0.00 C ATOM 870 CG1 ILE A 58 17.841 -3.929 8.568 1.00 0.00 C ATOM 871 CG2 ILE A 58 17.642 -1.709 7.418 1.00 0.00 C ATOM 872 CD1 ILE A 58 17.167 -5.283 8.592 1.00 0.00 C ATOM 0 H ILE A 58 15.084 -3.914 9.519 1.00 0.00 H new ATOM 0 HA ILE A 58 17.050 -1.961 10.187 1.00 0.00 H new ATOM 0 HB ILE A 58 16.104 -3.181 7.566 1.00 0.00 H new ATOM 0 HG12 ILE A 58 18.665 -3.955 7.855 1.00 0.00 H new ATOM 0 HG13 ILE A 58 18.274 -3.730 9.548 1.00 0.00 H new ATOM 0 HG21 ILE A 58 18.085 -2.149 6.525 1.00 0.00 H new ATOM 0 HG22 ILE A 58 16.946 -0.922 7.127 1.00 0.00 H new ATOM 0 HG23 ILE A 58 18.429 -1.285 8.042 1.00 0.00 H new ATOM 0 HD11 ILE A 58 17.896 -6.047 8.862 1.00 0.00 H new ATOM 0 HD12 ILE A 58 16.361 -5.275 9.326 1.00 0.00 H new ATOM 0 HD13 ILE A 58 16.758 -5.503 7.606 1.00 0.00 H new ATOM 884 N HIS A 59 14.268 -1.012 8.737 1.00 0.00 N ATOM 885 CA HIS A 59 13.465 0.147 8.362 1.00 0.00 C ATOM 886 C HIS A 59 13.327 1.115 9.533 1.00 0.00 C ATOM 887 O HIS A 59 13.336 2.332 9.350 1.00 0.00 O ATOM 888 CB HIS A 59 12.081 -0.297 7.887 1.00 0.00 C ATOM 889 CG HIS A 59 12.033 -0.654 6.433 1.00 0.00 C ATOM 890 ND1 HIS A 59 12.531 -1.722 5.767 1.00 0.00 N flip ATOM 891 CD2 HIS A 59 11.415 0.134 5.485 1.00 0.00 C flip ATOM 892 CE1 HIS A 59 12.208 -1.561 4.442 1.00 0.00 C flip ATOM 893 NE2 HIS A 59 11.535 -0.434 4.298 1.00 0.00 N flip ATOM 0 H HIS A 59 13.770 -1.901 8.698 1.00 0.00 H new ATOM 0 HA HIS A 59 13.973 0.661 7.546 1.00 0.00 H new ATOM 0 HB2 HIS A 59 11.763 -1.158 8.475 1.00 0.00 H new ATOM 0 HB3 HIS A 59 11.366 0.502 8.080 1.00 0.00 H new ATOM 0 HD2 HIS A 59 10.912 1.069 5.682 1.00 0.00 H new ATOM 0 HE1 HIS A 59 12.463 -2.245 3.646 1.00 0.00 H new ATOM 0 HE2 HIS A 59 11.170 -0.065 3.420 1.00 0.00 H new ATOM 901 N ARG A 60 13.200 0.565 10.737 1.00 0.00 N ATOM 902 CA ARG A 60 13.058 1.380 11.938 1.00 0.00 C ATOM 903 C ARG A 60 14.293 2.250 12.153 1.00 0.00 C ATOM 904 O ARG A 60 14.184 3.450 12.398 1.00 0.00 O ATOM 905 CB ARG A 60 12.830 0.489 13.160 1.00 0.00 C ATOM 906 CG ARG A 60 11.901 -0.685 12.893 1.00 0.00 C ATOM 907 CD ARG A 60 11.526 -1.401 14.180 1.00 0.00 C ATOM 908 NE ARG A 60 10.615 -2.517 13.940 1.00 0.00 N ATOM 909 CZ ARG A 60 10.476 -3.545 14.769 1.00 0.00 C ATOM 910 NH1 ARG A 60 11.186 -3.599 15.888 1.00 0.00 N ATOM 911 NH2 ARG A 60 9.626 -4.523 14.481 1.00 0.00 N ATOM 0 H ARG A 60 13.193 -0.441 10.906 1.00 0.00 H new ATOM 0 HA ARG A 60 12.194 2.031 11.805 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.791 0.109 13.507 1.00 0.00 H new ATOM 0 HB3 ARG A 60 12.416 1.093 13.967 1.00 0.00 H new ATOM 0 HG2 ARG A 60 10.998 -0.330 12.396 1.00 0.00 H new ATOM 0 HG3 ARG A 60 12.385 -1.386 12.213 1.00 0.00 H new ATOM 0 HD2 ARG A 60 12.429 -1.769 14.667 1.00 0.00 H new ATOM 0 HD3 ARG A 60 11.060 -0.694 14.866 1.00 0.00 H new ATOM 0 HE ARG A 60 10.054 -2.506 13.088 1.00 0.00 H new ATOM 0 HH11 ARG A 60 11.841 -2.850 16.113 1.00 0.00 H new ATOM 0 HH12 ARG A 60 11.077 -4.390 16.523 1.00 0.00 H new ATOM 0 HH21 ARG A 60 9.078 -4.486 13.621 1.00 0.00 H new ATOM 0 HH22 ARG A 60 9.521 -5.312 15.119 1.00 0.00 H new ATOM 925 N ASN A 61 15.468 1.635 12.060 1.00 0.00 N ATOM 926 CA ASN A 61 16.724 2.352 12.246 1.00 0.00 C ATOM 927 C ASN A 61 16.798 3.567 11.325 1.00 0.00 C ATOM 928 O ASN A 61 17.122 4.672 11.761 1.00 0.00 O ATOM 929 CB ASN A 61 17.910 1.424 11.980 1.00 0.00 C ATOM 930 CG ASN A 61 18.436 1.548 10.563 1.00 0.00 C ATOM 931 OD1 ASN A 61 18.827 2.631 10.127 1.00 0.00 O ATOM 932 ND2 ASN A 61 18.448 0.437 9.836 1.00 0.00 N ATOM 0 H ASN A 61 15.576 0.641 11.857 1.00 0.00 H new ATOM 0 HA ASN A 61 16.767 2.697 13.279 1.00 0.00 H new ATOM 0 HB2 ASN A 61 18.711 1.652 12.683 1.00 0.00 H new ATOM 0 HB3 ASN A 61 17.609 0.393 12.164 1.00 0.00 H new ATOM 0 HD21 ASN A 61 18.791 0.460 8.876 1.00 0.00 H new ATOM 0 HD22 ASN A 61 18.114 -0.439 10.238 1.00 0.00 H new ATOM 939 N LEU A 62 16.495 3.354 10.049 1.00 0.00 N ATOM 940 CA LEU A 62 16.526 4.430 9.065 1.00 0.00 C ATOM 941 C LEU A 62 16.025 5.737 9.672 1.00 0.00 C ATOM 942 O LEU A 62 16.717 6.754 9.638 1.00 0.00 O ATOM 943 CB LEU A 62 15.675 4.061 7.849 1.00 0.00 C ATOM 944 CG LEU A 62 15.941 2.685 7.236 1.00 0.00 C ATOM 945 CD1 LEU A 62 15.253 2.560 5.885 1.00 0.00 C ATOM 946 CD2 LEU A 62 17.437 2.443 7.099 1.00 0.00 C ATOM 0 H LEU A 62 16.225 2.446 9.672 1.00 0.00 H new ATOM 0 HA LEU A 62 17.560 4.570 8.748 1.00 0.00 H new ATOM 0 HB2 LEU A 62 14.625 4.112 8.137 1.00 0.00 H new ATOM 0 HB3 LEU A 62 15.831 4.816 7.079 1.00 0.00 H new ATOM 0 HG LEU A 62 15.529 1.926 7.902 1.00 0.00 H new ATOM 0 HD11 LEU A 62 15.454 1.575 5.464 1.00 0.00 H new ATOM 0 HD12 LEU A 62 14.178 2.689 6.011 1.00 0.00 H new ATOM 0 HD13 LEU A 62 15.634 3.327 5.210 1.00 0.00 H new ATOM 0 HD21 LEU A 62 17.608 1.459 6.661 1.00 0.00 H new ATOM 0 HD22 LEU A 62 17.872 3.207 6.455 1.00 0.00 H new ATOM 0 HD23 LEU A 62 17.905 2.489 8.083 1.00 0.00 H new ATOM 958 N GLY A 63 14.818 5.701 10.229 1.00 0.00 N ATOM 959 CA GLY A 63 14.247 6.888 10.838 1.00 0.00 C ATOM 960 C GLY A 63 12.785 7.074 10.485 1.00 0.00 C ATOM 961 O GLY A 63 12.365 6.770 9.368 1.00 0.00 O ATOM 0 H GLY A 63 14.226 4.871 10.269 1.00 0.00 H new ATOM 0 HA2 GLY A 63 14.351 6.823 11.921 1.00 0.00 H new ATOM 0 HA3 GLY A 63 14.810 7.764 10.516 1.00 0.00 H new ATOM 965 N VAL A 64 12.006 7.573 11.439 1.00 0.00 N ATOM 966 CA VAL A 64 10.581 7.799 11.224 1.00 0.00 C ATOM 967 C VAL A 64 10.346 8.763 10.066 1.00 0.00 C ATOM 968 O VAL A 64 9.237 8.861 9.541 1.00 0.00 O ATOM 969 CB VAL A 64 9.904 8.358 12.489 1.00 0.00 C ATOM 970 CG1 VAL A 64 9.997 7.358 13.631 1.00 0.00 C ATOM 971 CG2 VAL A 64 10.526 9.689 12.882 1.00 0.00 C ATOM 0 H VAL A 64 12.338 7.829 12.369 1.00 0.00 H new ATOM 0 HA VAL A 64 10.140 6.832 10.983 1.00 0.00 H new ATOM 0 HB VAL A 64 8.849 8.527 12.271 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.513 7.771 14.516 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.500 6.431 13.345 1.00 0.00 H new ATOM 0 HG13 VAL A 64 11.045 7.154 13.852 1.00 0.00 H new ATOM 0 HG21 VAL A 64 10.035 10.069 13.778 1.00 0.00 H new ATOM 0 HG22 VAL A 64 11.588 9.549 13.082 1.00 0.00 H new ATOM 0 HG23 VAL A 64 10.401 10.404 12.068 1.00 0.00 H new ATOM 981 N HIS A 65 11.399 9.473 9.672 1.00 0.00 N ATOM 982 CA HIS A 65 11.308 10.429 8.574 1.00 0.00 C ATOM 983 C HIS A 65 11.620 9.758 7.241 1.00 0.00 C ATOM 984 O HIS A 65 11.344 10.312 6.176 1.00 0.00 O ATOM 985 CB HIS A 65 12.266 11.598 8.807 1.00 0.00 C ATOM 986 CG HIS A 65 13.665 11.170 9.130 1.00 0.00 C ATOM 987 ND1 HIS A 65 14.027 10.641 10.351 1.00 0.00 N ATOM 988 CD2 HIS A 65 14.792 11.193 8.382 1.00 0.00 C ATOM 989 CE1 HIS A 65 15.318 10.360 10.340 1.00 0.00 C ATOM 990 NE2 HIS A 65 15.806 10.684 9.156 1.00 0.00 N ATOM 0 H HIS A 65 12.324 9.404 10.096 1.00 0.00 H new ATOM 0 HA HIS A 65 10.286 10.808 8.539 1.00 0.00 H new ATOM 0 HB2 HIS A 65 12.283 12.226 7.916 1.00 0.00 H new ATOM 0 HB3 HIS A 65 11.885 12.212 9.623 1.00 0.00 H new ATOM 0 HD2 HIS A 65 14.878 11.546 7.365 1.00 0.00 H new ATOM 0 HE1 HIS A 65 15.879 9.937 11.160 1.00 0.00 H new ATOM 0 HE2 HIS A 65 16.777 10.574 8.864 1.00 0.00 H new ATOM 998 N ILE A 66 12.197 8.563 7.307 1.00 0.00 N ATOM 999 CA ILE A 66 12.547 7.816 6.105 1.00 0.00 C ATOM 1000 C ILE A 66 11.546 6.696 5.843 1.00 0.00 C ATOM 1001 O ILE A 66 11.004 6.578 4.744 1.00 0.00 O ATOM 1002 CB ILE A 66 13.960 7.213 6.207 1.00 0.00 C ATOM 1003 CG1 ILE A 66 15.018 8.298 5.999 1.00 0.00 C ATOM 1004 CG2 ILE A 66 14.134 6.094 5.191 1.00 0.00 C ATOM 1005 CD1 ILE A 66 16.304 8.042 6.754 1.00 0.00 C ATOM 0 H ILE A 66 12.432 8.091 8.180 1.00 0.00 H new ATOM 0 HA ILE A 66 12.523 8.524 5.276 1.00 0.00 H new ATOM 0 HB ILE A 66 14.088 6.794 7.205 1.00 0.00 H new ATOM 0 HG12 ILE A 66 15.241 8.377 4.935 1.00 0.00 H new ATOM 0 HG13 ILE A 66 14.608 9.258 6.311 1.00 0.00 H new ATOM 0 HG21 ILE A 66 15.138 5.678 5.276 1.00 0.00 H new ATOM 0 HG22 ILE A 66 13.400 5.311 5.382 1.00 0.00 H new ATOM 0 HG23 ILE A 66 13.989 6.490 4.186 1.00 0.00 H new ATOM 0 HD11 ILE A 66 17.008 8.851 6.559 1.00 0.00 H new ATOM 0 HD12 ILE A 66 16.095 7.992 7.823 1.00 0.00 H new ATOM 0 HD13 ILE A 66 16.737 7.098 6.425 1.00 0.00 H new ATOM 1017 N SER A 67 11.304 5.876 6.860 1.00 0.00 N ATOM 1018 CA SER A 67 10.369 4.764 6.740 1.00 0.00 C ATOM 1019 C SER A 67 9.877 4.316 8.113 1.00 0.00 C ATOM 1020 O SER A 67 10.670 3.932 8.974 1.00 0.00 O ATOM 1021 CB SER A 67 11.030 3.590 6.015 1.00 0.00 C ATOM 1022 OG SER A 67 11.524 3.987 4.748 1.00 0.00 O ATOM 0 H SER A 67 11.743 5.961 7.777 1.00 0.00 H new ATOM 0 HA SER A 67 9.512 5.104 6.160 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.847 3.198 6.621 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.309 2.782 5.891 1.00 0.00 H new ATOM 0 HG SER A 67 11.080 4.815 4.468 1.00 0.00 H new ATOM 1028 N ARG A 68 8.564 4.369 8.311 1.00 0.00 N ATOM 1029 CA ARG A 68 7.966 3.970 9.580 1.00 0.00 C ATOM 1030 C ARG A 68 7.549 2.503 9.547 1.00 0.00 C ATOM 1031 O ARG A 68 7.035 2.015 8.540 1.00 0.00 O ATOM 1032 CB ARG A 68 6.754 4.849 9.895 1.00 0.00 C ATOM 1033 CG ARG A 68 7.107 6.130 10.633 1.00 0.00 C ATOM 1034 CD ARG A 68 5.861 6.848 11.130 1.00 0.00 C ATOM 1035 NE ARG A 68 5.379 7.836 10.169 1.00 0.00 N ATOM 1036 CZ ARG A 68 5.809 9.092 10.127 1.00 0.00 C ATOM 1037 NH1 ARG A 68 6.727 9.511 10.988 1.00 0.00 N ATOM 1038 NH2 ARG A 68 5.322 9.932 9.223 1.00 0.00 N ATOM 0 H ARG A 68 7.894 4.684 7.609 1.00 0.00 H new ATOM 0 HA ARG A 68 8.714 4.100 10.362 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.248 5.104 8.964 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.047 4.277 10.495 1.00 0.00 H new ATOM 0 HG2 ARG A 68 7.756 5.898 11.478 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.669 6.789 9.971 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.075 6.118 11.324 1.00 0.00 H new ATOM 0 HD3 ARG A 68 6.080 7.341 12.077 1.00 0.00 H new ATOM 0 HE ARG A 68 4.673 7.546 9.493 1.00 0.00 H new ATOM 0 HH11 ARG A 68 7.104 8.868 11.684 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.056 10.476 10.954 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.616 9.614 8.559 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.653 10.896 9.192 1.00 0.00 H new ATOM 1052 N VAL A 69 7.773 1.804 10.655 1.00 0.00 N ATOM 1053 CA VAL A 69 7.420 0.393 10.754 1.00 0.00 C ATOM 1054 C VAL A 69 6.380 0.162 11.844 1.00 0.00 C ATOM 1055 O VAL A 69 6.505 0.675 12.956 1.00 0.00 O ATOM 1056 CB VAL A 69 8.658 -0.476 11.047 1.00 0.00 C ATOM 1057 CG1 VAL A 69 8.281 -1.949 11.076 1.00 0.00 C ATOM 1058 CG2 VAL A 69 9.747 -0.216 10.017 1.00 0.00 C ATOM 0 H VAL A 69 8.198 2.192 11.497 1.00 0.00 H new ATOM 0 HA VAL A 69 7.002 0.103 9.790 1.00 0.00 H new ATOM 0 HB VAL A 69 9.047 -0.206 12.029 1.00 0.00 H new ATOM 0 HG11 VAL A 69 9.168 -2.548 11.284 1.00 0.00 H new ATOM 0 HG12 VAL A 69 7.537 -2.119 11.855 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.867 -2.238 10.110 1.00 0.00 H new ATOM 0 HG21 VAL A 69 10.614 -0.838 10.239 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.372 -0.458 9.022 1.00 0.00 H new ATOM 0 HG23 VAL A 69 10.036 0.834 10.050 1.00 0.00 H new ATOM 1068 N LYS A 70 5.353 -0.616 11.519 1.00 0.00 N ATOM 1069 CA LYS A 70 4.291 -0.919 12.470 1.00 0.00 C ATOM 1070 C LYS A 70 3.584 -2.219 12.101 1.00 0.00 C ATOM 1071 O LYS A 70 3.367 -2.506 10.924 1.00 0.00 O ATOM 1072 CB LYS A 70 3.278 0.228 12.518 1.00 0.00 C ATOM 1073 CG LYS A 70 2.777 0.654 11.148 1.00 0.00 C ATOM 1074 CD LYS A 70 1.352 1.176 11.214 1.00 0.00 C ATOM 1075 CE LYS A 70 1.288 2.541 11.882 1.00 0.00 C ATOM 1076 NZ LYS A 70 -0.116 2.981 12.110 1.00 0.00 N ATOM 0 H LYS A 70 5.234 -1.048 10.603 1.00 0.00 H new ATOM 0 HA LYS A 70 4.743 -1.038 13.455 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.427 -0.075 13.129 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.736 1.086 13.011 1.00 0.00 H new ATOM 0 HG2 LYS A 70 3.431 1.427 10.745 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.824 -0.192 10.463 1.00 0.00 H new ATOM 0 HD2 LYS A 70 0.941 1.243 10.207 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.730 0.471 11.765 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.816 2.504 12.835 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.802 3.274 11.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -0.118 3.866 12.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -0.583 3.139 11.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -0.629 2.246 12.638 1.00 0.00 H new ATOM 1090 N SER A 71 3.227 -3.002 13.115 1.00 0.00 N ATOM 1091 CA SER A 71 2.547 -4.273 12.897 1.00 0.00 C ATOM 1092 C SER A 71 1.214 -4.061 12.184 1.00 0.00 C ATOM 1093 O SER A 71 0.510 -3.084 12.439 1.00 0.00 O ATOM 1094 CB SER A 71 2.317 -4.988 14.230 1.00 0.00 C ATOM 1095 OG SER A 71 3.547 -5.285 14.867 1.00 0.00 O ATOM 0 H SER A 71 3.398 -2.778 14.095 1.00 0.00 H new ATOM 0 HA SER A 71 3.183 -4.893 12.265 1.00 0.00 H new ATOM 0 HB2 SER A 71 1.708 -4.362 14.882 1.00 0.00 H new ATOM 0 HB3 SER A 71 1.759 -5.909 14.061 1.00 0.00 H new ATOM 0 HG SER A 71 4.278 -5.205 14.220 1.00 0.00 H new ATOM 1101 N VAL A 72 0.875 -4.984 11.290 1.00 0.00 N ATOM 1102 CA VAL A 72 -0.372 -4.900 10.540 1.00 0.00 C ATOM 1103 C VAL A 72 -1.577 -5.074 11.458 1.00 0.00 C ATOM 1104 O VAL A 72 -2.625 -4.464 11.246 1.00 0.00 O ATOM 1105 CB VAL A 72 -0.431 -5.962 9.427 1.00 0.00 C ATOM 1106 CG1 VAL A 72 -1.309 -5.486 8.279 1.00 0.00 C ATOM 1107 CG2 VAL A 72 0.970 -6.295 8.934 1.00 0.00 C ATOM 0 H VAL A 72 1.447 -5.799 11.067 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.403 -3.909 10.087 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.873 -6.869 9.838 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.338 -6.250 7.502 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.319 -5.302 8.645 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -0.900 -4.564 7.866 1.00 0.00 H new ATOM 0 HG21 VAL A 72 0.910 -7.047 8.148 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.441 -5.394 8.539 1.00 0.00 H new ATOM 0 HG23 VAL A 72 1.564 -6.682 9.762 1.00 0.00 H new ATOM 1117 N ASN A 73 -1.421 -5.912 12.478 1.00 0.00 N ATOM 1118 CA ASN A 73 -2.497 -6.167 13.429 1.00 0.00 C ATOM 1119 C ASN A 73 -2.094 -5.735 14.835 1.00 0.00 C ATOM 1120 O ASN A 73 -2.692 -4.825 15.412 1.00 0.00 O ATOM 1121 CB ASN A 73 -2.866 -7.652 13.426 1.00 0.00 C ATOM 1122 CG ASN A 73 -4.255 -7.903 13.980 1.00 0.00 C ATOM 1123 OD1 ASN A 73 -5.253 -7.763 13.272 1.00 0.00 O ATOM 1124 ND2 ASN A 73 -4.326 -8.276 15.252 1.00 0.00 N ATOM 0 H ASN A 73 -0.560 -6.426 12.667 1.00 0.00 H new ATOM 0 HA ASN A 73 -3.365 -5.583 13.123 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -2.809 -8.036 12.407 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.136 -8.206 14.017 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -5.234 -8.459 15.680 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -3.473 -8.380 15.801 1.00 0.00 H new ATOM 1131 N LEU A 74 -1.076 -6.391 15.381 1.00 0.00 N ATOM 1132 CA LEU A 74 -0.591 -6.074 16.720 1.00 0.00 C ATOM 1133 C LEU A 74 -0.627 -4.570 16.971 1.00 0.00 C ATOM 1134 O LEU A 74 -0.748 -4.123 18.112 1.00 0.00 O ATOM 1135 CB LEU A 74 0.833 -6.600 16.906 1.00 0.00 C ATOM 1136 CG LEU A 74 1.009 -8.115 16.797 1.00 0.00 C ATOM 1137 CD1 LEU A 74 2.456 -8.463 16.486 1.00 0.00 C ATOM 1138 CD2 LEU A 74 0.558 -8.798 18.079 1.00 0.00 C ATOM 0 H LEU A 74 -0.570 -7.146 14.917 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.248 -6.559 17.442 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.474 -6.126 16.163 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.191 -6.282 17.885 1.00 0.00 H new ATOM 0 HG LEU A 74 0.386 -8.476 15.979 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.562 -9.545 16.412 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.745 -8.005 15.540 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.099 -8.089 17.282 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.690 -9.876 17.983 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.154 -8.432 18.915 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.494 -8.576 18.259 1.00 0.00 H new ATOM 1150 N ASP A 75 -0.524 -3.794 15.897 1.00 0.00 N ATOM 1151 CA ASP A 75 -0.548 -2.340 16.000 1.00 0.00 C ATOM 1152 C ASP A 75 -1.828 -1.773 15.395 1.00 0.00 C ATOM 1153 O ASP A 75 -2.506 -2.443 14.616 1.00 0.00 O ATOM 1154 CB ASP A 75 0.672 -1.738 15.300 1.00 0.00 C ATOM 1155 CG ASP A 75 1.854 -1.574 16.235 1.00 0.00 C ATOM 1156 OD1 ASP A 75 1.957 -2.355 17.204 1.00 0.00 O ATOM 1157 OD2 ASP A 75 2.676 -0.665 15.998 1.00 0.00 O ATOM 0 H ASP A 75 -0.423 -4.148 14.946 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.519 -2.075 17.057 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.959 -2.376 14.464 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.405 -0.767 14.883 1.00 0.00 H new ATOM 1162 N GLN A 76 -2.153 -0.537 15.759 1.00 0.00 N ATOM 1163 CA GLN A 76 -3.353 0.118 15.253 1.00 0.00 C ATOM 1164 C GLN A 76 -3.048 0.908 13.985 1.00 0.00 C ATOM 1165 O GLN A 76 -1.948 1.435 13.820 1.00 0.00 O ATOM 1166 CB GLN A 76 -3.941 1.046 16.318 1.00 0.00 C ATOM 1167 CG GLN A 76 -5.441 1.250 16.186 1.00 0.00 C ATOM 1168 CD GLN A 76 -6.088 1.684 17.486 1.00 0.00 C ATOM 1169 OE1 GLN A 76 -5.993 0.993 18.501 1.00 0.00 O ATOM 1170 NE2 GLN A 76 -6.750 2.835 17.463 1.00 0.00 N ATOM 0 H GLN A 76 -1.602 0.031 16.403 1.00 0.00 H new ATOM 0 HA GLN A 76 -4.083 -0.654 15.011 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -3.724 0.637 17.305 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -3.444 2.014 16.258 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -5.636 2.000 15.420 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -5.902 0.322 15.848 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -6.803 3.376 16.600 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -7.205 3.179 18.309 1.00 0.00 H new ATOM 1179 N TRP A 77 -4.028 0.986 13.092 1.00 0.00 N ATOM 1180 CA TRP A 77 -3.864 1.712 11.838 1.00 0.00 C ATOM 1181 C TRP A 77 -4.964 2.754 11.664 1.00 0.00 C ATOM 1182 O TRP A 77 -5.784 2.962 12.559 1.00 0.00 O ATOM 1183 CB TRP A 77 -3.874 0.740 10.657 1.00 0.00 C ATOM 1184 CG TRP A 77 -2.581 0.001 10.486 1.00 0.00 C ATOM 1185 CD1 TRP A 77 -1.874 -0.647 11.458 1.00 0.00 C ATOM 1186 CD2 TRP A 77 -1.843 -0.165 9.271 1.00 0.00 C ATOM 1187 NE1 TRP A 77 -0.739 -1.206 10.920 1.00 0.00 N ATOM 1188 CE2 TRP A 77 -0.698 -0.925 9.580 1.00 0.00 C ATOM 1189 CE3 TRP A 77 -2.039 0.253 7.952 1.00 0.00 C ATOM 1190 CZ2 TRP A 77 0.246 -1.273 8.617 1.00 0.00 C ATOM 1191 CZ3 TRP A 77 -1.101 -0.093 6.998 1.00 0.00 C ATOM 1192 CH2 TRP A 77 0.029 -0.851 7.333 1.00 0.00 C ATOM 0 H TRP A 77 -4.945 0.555 13.213 1.00 0.00 H new ATOM 0 HA TRP A 77 -2.904 2.227 11.868 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -4.680 0.020 10.795 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -4.093 1.292 9.743 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -2.164 -0.711 12.496 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -0.041 -1.743 11.435 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -2.908 0.836 7.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 1.118 -1.855 8.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -1.241 0.227 5.976 1.00 0.00 H new ATOM 0 HH2 TRP A 77 0.742 -1.107 6.564 1.00 0.00 H new ATOM 1203 N THR A 78 -4.977 3.408 10.506 1.00 0.00 N ATOM 1204 CA THR A 78 -5.976 4.428 10.216 1.00 0.00 C ATOM 1205 C THR A 78 -6.298 4.474 8.727 1.00 0.00 C ATOM 1206 O THR A 78 -5.420 4.281 7.886 1.00 0.00 O ATOM 1207 CB THR A 78 -5.503 5.822 10.670 1.00 0.00 C ATOM 1208 OG1 THR A 78 -4.152 6.042 10.251 1.00 0.00 O ATOM 1209 CG2 THR A 78 -5.599 5.960 12.182 1.00 0.00 C ATOM 0 H THR A 78 -4.306 3.249 9.754 1.00 0.00 H new ATOM 0 HA THR A 78 -6.874 4.158 10.771 1.00 0.00 H new ATOM 0 HB THR A 78 -6.151 6.568 10.211 1.00 0.00 H new ATOM 0 HG1 THR A 78 -3.860 6.931 10.542 1.00 0.00 H new ATOM 0 HG21 THR A 78 -5.260 6.952 12.479 1.00 0.00 H new ATOM 0 HG22 THR A 78 -6.634 5.822 12.495 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.972 5.205 12.657 1.00 0.00 H new ATOM 1217 N ALA A 79 -7.562 4.732 8.407 1.00 0.00 N ATOM 1218 CA ALA A 79 -7.999 4.806 7.019 1.00 0.00 C ATOM 1219 C ALA A 79 -6.977 5.542 6.160 1.00 0.00 C ATOM 1220 O ALA A 79 -6.545 5.038 5.124 1.00 0.00 O ATOM 1221 CB ALA A 79 -9.356 5.487 6.928 1.00 0.00 C ATOM 0 H ALA A 79 -8.301 4.893 9.091 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.089 3.789 6.638 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.670 5.535 5.885 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.088 4.918 7.501 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.284 6.497 7.332 1.00 0.00 H new ATOM 1227 N GLU A 80 -6.595 6.738 6.598 1.00 0.00 N ATOM 1228 CA GLU A 80 -5.624 7.544 5.866 1.00 0.00 C ATOM 1229 C GLU A 80 -4.412 6.706 5.467 1.00 0.00 C ATOM 1230 O GLU A 80 -3.864 6.871 4.377 1.00 0.00 O ATOM 1231 CB GLU A 80 -5.176 8.736 6.714 1.00 0.00 C ATOM 1232 CG GLU A 80 -4.604 8.342 8.065 1.00 0.00 C ATOM 1233 CD GLU A 80 -4.448 9.525 9.001 1.00 0.00 C ATOM 1234 OE1 GLU A 80 -5.479 10.039 9.483 1.00 0.00 O ATOM 1235 OE2 GLU A 80 -3.296 9.937 9.250 1.00 0.00 O ATOM 0 H GLU A 80 -6.942 7.170 7.454 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.105 7.912 4.959 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.425 9.302 6.162 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -6.026 9.401 6.869 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.255 7.600 8.528 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -3.633 7.868 7.920 1.00 0.00 H new ATOM 1242 N GLN A 81 -4.001 5.810 6.357 1.00 0.00 N ATOM 1243 CA GLN A 81 -2.854 4.947 6.098 1.00 0.00 C ATOM 1244 C GLN A 81 -3.234 3.799 5.169 1.00 0.00 C ATOM 1245 O GLN A 81 -2.470 3.431 4.277 1.00 0.00 O ATOM 1246 CB GLN A 81 -2.298 4.394 7.411 1.00 0.00 C ATOM 1247 CG GLN A 81 -1.801 5.470 8.363 1.00 0.00 C ATOM 1248 CD GLN A 81 -1.454 4.922 9.733 1.00 0.00 C ATOM 1249 OE1 GLN A 81 -1.864 3.819 10.096 1.00 0.00 O ATOM 1250 NE2 GLN A 81 -0.695 5.692 10.505 1.00 0.00 N ATOM 0 H GLN A 81 -4.444 5.662 7.264 1.00 0.00 H new ATOM 0 HA GLN A 81 -2.085 5.545 5.609 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.074 3.812 7.908 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -1.479 3.710 7.189 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -0.921 5.951 7.935 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -2.566 6.240 8.467 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -0.377 6.599 10.165 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.430 5.376 11.438 1.00 0.00 H new ATOM 1259 N ILE A 82 -4.419 3.238 5.385 1.00 0.00 N ATOM 1260 CA ILE A 82 -4.901 2.132 4.567 1.00 0.00 C ATOM 1261 C ILE A 82 -4.903 2.503 3.088 1.00 0.00 C ATOM 1262 O ILE A 82 -4.272 1.835 2.270 1.00 0.00 O ATOM 1263 CB ILE A 82 -6.321 1.704 4.979 1.00 0.00 C ATOM 1264 CG1 ILE A 82 -6.324 1.186 6.419 1.00 0.00 C ATOM 1265 CG2 ILE A 82 -6.851 0.641 4.028 1.00 0.00 C ATOM 1266 CD1 ILE A 82 -5.414 -0.002 6.636 1.00 0.00 C ATOM 0 H ILE A 82 -5.063 3.531 6.120 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.218 1.298 4.729 1.00 0.00 H new ATOM 0 HB ILE A 82 -6.976 2.573 4.924 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -6.021 1.992 7.087 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -7.342 0.909 6.695 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.856 0.349 4.333 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.881 1.042 3.015 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -6.196 -0.230 4.054 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -5.467 -0.315 7.679 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -5.730 -0.824 5.994 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -4.389 0.276 6.392 1.00 0.00 H new ATOM 1278 N GLN A 83 -5.615 3.574 2.753 1.00 0.00 N ATOM 1279 CA GLN A 83 -5.698 4.035 1.372 1.00 0.00 C ATOM 1280 C GLN A 83 -4.340 3.945 0.686 1.00 0.00 C ATOM 1281 O GLN A 83 -4.229 3.430 -0.427 1.00 0.00 O ATOM 1282 CB GLN A 83 -6.214 5.475 1.323 1.00 0.00 C ATOM 1283 CG GLN A 83 -6.885 5.835 0.008 1.00 0.00 C ATOM 1284 CD GLN A 83 -8.190 5.094 -0.204 1.00 0.00 C ATOM 1285 OE1 GLN A 83 -8.322 4.298 -1.134 1.00 0.00 O ATOM 1286 NE2 GLN A 83 -9.165 5.350 0.662 1.00 0.00 N ATOM 0 H GLN A 83 -6.143 4.139 3.419 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.396 3.388 0.841 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -6.923 5.626 2.137 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -5.381 6.157 1.495 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -7.073 6.908 -0.018 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -6.206 5.611 -0.815 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -9.013 6.017 1.418 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -10.065 4.879 0.570 1.00 0.00 H new ATOM 1295 N CYS A 84 -3.309 4.449 1.356 1.00 0.00 N ATOM 1296 CA CYS A 84 -1.957 4.426 0.809 1.00 0.00 C ATOM 1297 C CYS A 84 -1.574 3.019 0.363 1.00 0.00 C ATOM 1298 O CYS A 84 -1.236 2.796 -0.798 1.00 0.00 O ATOM 1299 CB CYS A 84 -0.956 4.935 1.848 1.00 0.00 C ATOM 1300 SG CYS A 84 -1.154 6.683 2.269 1.00 0.00 S ATOM 0 H CYS A 84 -3.384 4.878 2.278 1.00 0.00 H new ATOM 0 HA CYS A 84 -1.933 5.082 -0.061 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -1.057 4.340 2.756 1.00 0.00 H new ATOM 0 HB3 CYS A 84 0.055 4.775 1.472 1.00 0.00 H new ATOM 0 HG CYS A 84 -2.183 6.827 3.050 1.00 0.00 H new ATOM 1306 N MET A 85 -1.629 2.073 1.296 1.00 0.00 N ATOM 1307 CA MET A 85 -1.287 0.687 0.998 1.00 0.00 C ATOM 1308 C MET A 85 -1.754 0.300 -0.401 1.00 0.00 C ATOM 1309 O MET A 85 -0.954 -0.110 -1.241 1.00 0.00 O ATOM 1310 CB MET A 85 -1.913 -0.248 2.034 1.00 0.00 C ATOM 1311 CG MET A 85 -1.300 -0.118 3.420 1.00 0.00 C ATOM 1312 SD MET A 85 0.496 -0.271 3.402 1.00 0.00 S ATOM 1313 CE MET A 85 0.694 -1.840 2.561 1.00 0.00 C ATOM 0 H MET A 85 -1.907 2.241 2.263 1.00 0.00 H new ATOM 0 HA MET A 85 -0.202 0.590 1.039 1.00 0.00 H new ATOM 0 HB2 MET A 85 -2.982 -0.043 2.098 1.00 0.00 H new ATOM 0 HB3 MET A 85 -1.806 -1.278 1.694 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.574 0.847 3.845 1.00 0.00 H new ATOM 0 HG3 MET A 85 -1.720 -0.884 4.072 1.00 0.00 H new ATOM 0 HE1 MET A 85 1.483 -2.415 3.045 1.00 0.00 H new ATOM 0 HE2 MET A 85 -0.241 -2.398 2.606 1.00 0.00 H new ATOM 0 HE3 MET A 85 0.961 -1.663 1.519 1.00 0.00 H new ATOM 1323 N GLN A 86 -3.054 0.434 -0.644 1.00 0.00 N ATOM 1324 CA GLN A 86 -3.627 0.097 -1.942 1.00 0.00 C ATOM 1325 C GLN A 86 -3.009 0.947 -3.047 1.00 0.00 C ATOM 1326 O GLN A 86 -2.538 0.424 -4.057 1.00 0.00 O ATOM 1327 CB GLN A 86 -5.144 0.291 -1.920 1.00 0.00 C ATOM 1328 CG GLN A 86 -5.856 -0.593 -0.909 1.00 0.00 C ATOM 1329 CD GLN A 86 -5.987 0.064 0.451 1.00 0.00 C ATOM 1330 OE1 GLN A 86 -5.358 -0.529 1.458 1.00 0.00 O flip ATOM 1331 NE2 GLN A 86 -6.648 1.093 0.594 1.00 0.00 N flip ATOM 0 H GLN A 86 -3.730 0.773 0.040 1.00 0.00 H new ATOM 0 HA GLN A 86 -3.405 -0.950 -2.148 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -5.365 1.335 -1.697 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -5.543 0.086 -2.914 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -6.848 -0.842 -1.285 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -5.310 -1.531 -0.804 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -7.115 1.515 -0.209 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -6.728 1.524 1.515 1.00 0.00 H new ATOM 1340 N ASP A 87 -3.015 2.261 -2.849 1.00 0.00 N ATOM 1341 CA ASP A 87 -2.455 3.185 -3.828 1.00 0.00 C ATOM 1342 C ASP A 87 -1.064 2.736 -4.264 1.00 0.00 C ATOM 1343 O ASP A 87 -0.838 2.431 -5.435 1.00 0.00 O ATOM 1344 CB ASP A 87 -2.390 4.599 -3.249 1.00 0.00 C ATOM 1345 CG ASP A 87 -3.672 5.376 -3.474 1.00 0.00 C ATOM 1346 OD1 ASP A 87 -4.740 4.902 -3.031 1.00 0.00 O ATOM 1347 OD2 ASP A 87 -3.608 6.459 -4.092 1.00 0.00 O ATOM 0 H ASP A 87 -3.402 2.710 -2.019 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.107 3.189 -4.702 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -2.186 4.542 -2.180 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -1.558 5.137 -3.704 1.00 0.00 H new ATOM 1352 N MET A 88 -0.135 2.700 -3.315 1.00 0.00 N ATOM 1353 CA MET A 88 1.235 2.288 -3.602 1.00 0.00 C ATOM 1354 C MET A 88 1.309 0.786 -3.856 1.00 0.00 C ATOM 1355 O MET A 88 1.471 0.347 -4.994 1.00 0.00 O ATOM 1356 CB MET A 88 2.157 2.667 -2.441 1.00 0.00 C ATOM 1357 CG MET A 88 3.628 2.406 -2.724 1.00 0.00 C ATOM 1358 SD MET A 88 4.458 3.832 -3.451 1.00 0.00 S ATOM 1359 CE MET A 88 5.507 3.032 -4.662 1.00 0.00 C ATOM 0 H MET A 88 -0.305 2.951 -2.341 1.00 0.00 H new ATOM 0 HA MET A 88 1.564 2.807 -4.502 1.00 0.00 H new ATOM 0 HB2 MET A 88 2.022 3.724 -2.210 1.00 0.00 H new ATOM 0 HB3 MET A 88 1.861 2.106 -1.554 1.00 0.00 H new ATOM 0 HG2 MET A 88 4.130 2.132 -1.796 1.00 0.00 H new ATOM 0 HG3 MET A 88 3.719 1.555 -3.398 1.00 0.00 H new ATOM 0 HE1 MET A 88 5.677 3.709 -5.499 1.00 0.00 H new ATOM 0 HE2 MET A 88 6.462 2.775 -4.203 1.00 0.00 H new ATOM 0 HE3 MET A 88 5.021 2.125 -5.022 1.00 0.00 H new ATOM 1369 N GLY A 89 1.190 0.002 -2.788 1.00 0.00 N ATOM 1370 CA GLY A 89 1.247 -1.442 -2.918 1.00 0.00 C ATOM 1371 C GLY A 89 2.606 -1.929 -3.381 1.00 0.00 C ATOM 1372 O GLY A 89 3.446 -1.136 -3.804 1.00 0.00 O ATOM 0 H GLY A 89 1.055 0.342 -1.836 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.008 -1.900 -1.958 1.00 0.00 H new ATOM 0 HA3 GLY A 89 0.486 -1.770 -3.626 1.00 0.00 H new ATOM 1376 N ASN A 90 2.823 -3.238 -3.300 1.00 0.00 N ATOM 1377 CA ASN A 90 4.090 -3.830 -3.712 1.00 0.00 C ATOM 1378 C ASN A 90 4.294 -3.685 -5.217 1.00 0.00 C ATOM 1379 O ASN A 90 5.390 -3.364 -5.679 1.00 0.00 O ATOM 1380 CB ASN A 90 4.138 -5.308 -3.319 1.00 0.00 C ATOM 1381 CG ASN A 90 4.069 -5.510 -1.818 1.00 0.00 C ATOM 1382 OD1 ASN A 90 3.216 -4.935 -1.142 1.00 0.00 O ATOM 1383 ND2 ASN A 90 4.969 -6.331 -1.289 1.00 0.00 N ATOM 0 H ASN A 90 2.137 -3.909 -2.953 1.00 0.00 H new ATOM 0 HA ASN A 90 4.894 -3.299 -3.202 1.00 0.00 H new ATOM 0 HB2 ASN A 90 3.309 -5.834 -3.792 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.057 -5.753 -3.701 1.00 0.00 H new ATOM 0 HD21 ASN A 90 4.971 -6.506 -0.284 1.00 0.00 H new ATOM 0 HD22 ASN A 90 5.658 -6.786 -1.888 1.00 0.00 H new ATOM 1390 N THR A 91 3.231 -3.923 -5.979 1.00 0.00 N ATOM 1391 CA THR A 91 3.293 -3.819 -7.431 1.00 0.00 C ATOM 1392 C THR A 91 4.090 -2.594 -7.862 1.00 0.00 C ATOM 1393 O THR A 91 5.176 -2.714 -8.428 1.00 0.00 O ATOM 1394 CB THR A 91 1.884 -3.745 -8.049 1.00 0.00 C ATOM 1395 OG1 THR A 91 1.102 -4.866 -7.623 1.00 0.00 O ATOM 1396 CG2 THR A 91 1.960 -3.721 -9.568 1.00 0.00 C ATOM 0 H THR A 91 2.316 -4.189 -5.614 1.00 0.00 H new ATOM 0 HA THR A 91 3.793 -4.718 -7.791 1.00 0.00 H new ATOM 0 HB THR A 91 1.411 -2.823 -7.710 1.00 0.00 H new ATOM 0 HG1 THR A 91 0.207 -4.810 -8.019 1.00 0.00 H new ATOM 0 HG21 THR A 91 0.953 -3.669 -9.982 1.00 0.00 H new ATOM 0 HG22 THR A 91 2.530 -2.850 -9.890 1.00 0.00 H new ATOM 0 HG23 THR A 91 2.451 -4.627 -9.922 1.00 0.00 H new ATOM 1404 N LYS A 92 3.544 -1.413 -7.589 1.00 0.00 N ATOM 1405 CA LYS A 92 4.205 -0.163 -7.946 1.00 0.00 C ATOM 1406 C LYS A 92 5.563 -0.051 -7.260 1.00 0.00 C ATOM 1407 O LYS A 92 6.567 0.264 -7.899 1.00 0.00 O ATOM 1408 CB LYS A 92 3.327 1.030 -7.562 1.00 0.00 C ATOM 1409 CG LYS A 92 2.085 1.174 -8.425 1.00 0.00 C ATOM 1410 CD LYS A 92 1.404 2.514 -8.202 1.00 0.00 C ATOM 1411 CE LYS A 92 2.174 3.647 -8.862 1.00 0.00 C ATOM 1412 NZ LYS A 92 1.587 4.977 -8.540 1.00 0.00 N ATOM 0 H LYS A 92 2.645 -1.296 -7.121 1.00 0.00 H new ATOM 0 HA LYS A 92 4.361 -0.158 -9.025 1.00 0.00 H new ATOM 0 HB2 LYS A 92 3.025 0.928 -6.520 1.00 0.00 H new ATOM 0 HB3 LYS A 92 3.918 1.943 -7.635 1.00 0.00 H new ATOM 0 HG2 LYS A 92 2.357 1.073 -9.476 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.387 0.368 -8.198 1.00 0.00 H new ATOM 0 HD2 LYS A 92 0.391 2.480 -8.603 1.00 0.00 H new ATOM 0 HD3 LYS A 92 1.318 2.706 -7.133 1.00 0.00 H new ATOM 0 HE2 LYS A 92 3.213 3.619 -8.534 1.00 0.00 H new ATOM 0 HE3 LYS A 92 2.177 3.503 -9.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 2.140 5.723 -9.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 0.603 5.013 -8.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 1.607 5.125 -7.511 1.00 0.00 H new ATOM 1426 N ALA A 93 5.586 -0.310 -5.957 1.00 0.00 N ATOM 1427 CA ALA A 93 6.821 -0.241 -5.186 1.00 0.00 C ATOM 1428 C ALA A 93 8.004 -0.758 -5.997 1.00 0.00 C ATOM 1429 O ALA A 93 9.112 -0.229 -5.903 1.00 0.00 O ATOM 1430 CB ALA A 93 6.681 -1.030 -3.893 1.00 0.00 C ATOM 0 H ALA A 93 4.763 -0.570 -5.413 1.00 0.00 H new ATOM 0 HA ALA A 93 7.010 0.805 -4.942 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.611 -0.970 -3.327 1.00 0.00 H new ATOM 0 HB2 ALA A 93 5.867 -0.614 -3.299 1.00 0.00 H new ATOM 0 HB3 ALA A 93 6.464 -2.073 -4.125 1.00 0.00 H new ATOM 1436 N ARG A 94 7.762 -1.794 -6.793 1.00 0.00 N ATOM 1437 CA ARG A 94 8.809 -2.384 -7.620 1.00 0.00 C ATOM 1438 C ARG A 94 9.138 -1.481 -8.805 1.00 0.00 C ATOM 1439 O ARG A 94 10.306 -1.211 -9.088 1.00 0.00 O ATOM 1440 CB ARG A 94 8.377 -3.764 -8.119 1.00 0.00 C ATOM 1441 CG ARG A 94 9.302 -4.345 -9.176 1.00 0.00 C ATOM 1442 CD ARG A 94 8.759 -5.652 -9.734 1.00 0.00 C ATOM 1443 NE ARG A 94 9.620 -6.202 -10.776 1.00 0.00 N ATOM 1444 CZ ARG A 94 9.474 -7.421 -11.283 1.00 0.00 C ATOM 1445 NH1 ARG A 94 8.504 -8.212 -10.846 1.00 0.00 N ATOM 1446 NH2 ARG A 94 10.298 -7.851 -12.230 1.00 0.00 N ATOM 0 H ARG A 94 6.850 -2.243 -6.883 1.00 0.00 H new ATOM 0 HA ARG A 94 9.705 -2.491 -7.008 1.00 0.00 H new ATOM 0 HB2 ARG A 94 8.330 -4.449 -7.273 1.00 0.00 H new ATOM 0 HB3 ARG A 94 7.369 -3.694 -8.529 1.00 0.00 H new ATOM 0 HG2 ARG A 94 9.427 -3.626 -9.986 1.00 0.00 H new ATOM 0 HG3 ARG A 94 10.289 -4.514 -8.744 1.00 0.00 H new ATOM 0 HD2 ARG A 94 8.659 -6.377 -8.926 1.00 0.00 H new ATOM 0 HD3 ARG A 94 7.761 -5.486 -10.139 1.00 0.00 H new ATOM 0 HE ARG A 94 10.376 -5.618 -11.135 1.00 0.00 H new ATOM 0 HH11 ARG A 94 7.868 -7.885 -10.119 1.00 0.00 H new ATOM 0 HH12 ARG A 94 8.394 -9.148 -11.237 1.00 0.00 H new ATOM 0 HH21 ARG A 94 11.045 -7.245 -12.570 1.00 0.00 H new ATOM 0 HH22 ARG A 94 10.184 -8.787 -12.618 1.00 0.00 H new ATOM 1460 N LEU A 95 8.102 -1.019 -9.496 1.00 0.00 N ATOM 1461 CA LEU A 95 8.281 -0.147 -10.652 1.00 0.00 C ATOM 1462 C LEU A 95 8.796 1.223 -10.226 1.00 0.00 C ATOM 1463 O LEU A 95 9.135 2.059 -11.065 1.00 0.00 O ATOM 1464 CB LEU A 95 6.960 0.005 -11.409 1.00 0.00 C ATOM 1465 CG LEU A 95 6.203 -1.290 -11.706 1.00 0.00 C ATOM 1466 CD1 LEU A 95 4.783 -0.987 -12.155 1.00 0.00 C ATOM 1467 CD2 LEU A 95 6.936 -2.107 -12.760 1.00 0.00 C ATOM 0 H LEU A 95 7.129 -1.233 -9.276 1.00 0.00 H new ATOM 0 HA LEU A 95 9.020 -0.604 -11.310 1.00 0.00 H new ATOM 0 HB2 LEU A 95 6.307 0.660 -10.832 1.00 0.00 H new ATOM 0 HB3 LEU A 95 7.162 0.509 -12.354 1.00 0.00 H new ATOM 0 HG LEU A 95 6.154 -1.878 -10.790 1.00 0.00 H new ATOM 0 HD11 LEU A 95 4.260 -1.921 -12.362 1.00 0.00 H new ATOM 0 HD12 LEU A 95 4.260 -0.445 -11.367 1.00 0.00 H new ATOM 0 HD13 LEU A 95 4.809 -0.378 -13.059 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.383 -3.025 -12.959 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.017 -1.526 -13.679 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.934 -2.356 -12.399 1.00 0.00 H new ATOM 1479 N LEU A 96 8.855 1.447 -8.918 1.00 0.00 N ATOM 1480 CA LEU A 96 9.333 2.716 -8.379 1.00 0.00 C ATOM 1481 C LEU A 96 10.709 2.554 -7.742 1.00 0.00 C ATOM 1482 O LEU A 96 11.683 3.166 -8.180 1.00 0.00 O ATOM 1483 CB LEU A 96 8.342 3.260 -7.349 1.00 0.00 C ATOM 1484 CG LEU A 96 8.392 4.768 -7.101 1.00 0.00 C ATOM 1485 CD1 LEU A 96 9.812 5.211 -6.786 1.00 0.00 C ATOM 1486 CD2 LEU A 96 7.850 5.525 -8.305 1.00 0.00 C ATOM 0 H LEU A 96 8.578 0.766 -8.211 1.00 0.00 H new ATOM 0 HA LEU A 96 9.417 3.424 -9.203 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.334 2.998 -7.671 1.00 0.00 H new ATOM 0 HB3 LEU A 96 8.517 2.750 -6.402 1.00 0.00 H new ATOM 0 HG LEU A 96 7.763 4.996 -6.240 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.827 6.287 -6.613 1.00 0.00 H new ATOM 0 HD12 LEU A 96 10.165 4.694 -5.893 1.00 0.00 H new ATOM 0 HD13 LEU A 96 10.463 4.970 -7.626 1.00 0.00 H new ATOM 0 HD21 LEU A 96 7.893 6.597 -8.111 1.00 0.00 H new ATOM 0 HD22 LEU A 96 8.452 5.291 -9.183 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.816 5.230 -8.485 1.00 0.00 H new ATOM 1498 N TYR A 97 10.782 1.724 -6.707 1.00 0.00 N ATOM 1499 CA TYR A 97 12.038 1.481 -6.009 1.00 0.00 C ATOM 1500 C TYR A 97 12.941 0.556 -6.819 1.00 0.00 C ATOM 1501 O TYR A 97 14.157 0.742 -6.865 1.00 0.00 O ATOM 1502 CB TYR A 97 11.771 0.874 -4.631 1.00 0.00 C ATOM 1503 CG TYR A 97 11.077 1.819 -3.677 1.00 0.00 C ATOM 1504 CD1 TYR A 97 11.806 2.682 -2.868 1.00 0.00 C ATOM 1505 CD2 TYR A 97 9.690 1.850 -3.585 1.00 0.00 C ATOM 1506 CE1 TYR A 97 11.175 3.547 -1.995 1.00 0.00 C ATOM 1507 CE2 TYR A 97 9.051 2.712 -2.716 1.00 0.00 C ATOM 1508 CZ TYR A 97 9.797 3.558 -1.922 1.00 0.00 C ATOM 1509 OH TYR A 97 9.165 4.419 -1.055 1.00 0.00 O ATOM 0 H TYR A 97 9.985 1.208 -6.333 1.00 0.00 H new ATOM 0 HA TYR A 97 12.546 2.437 -5.885 1.00 0.00 H new ATOM 0 HB2 TYR A 97 11.161 -0.022 -4.750 1.00 0.00 H new ATOM 0 HB3 TYR A 97 12.718 0.559 -4.192 1.00 0.00 H new ATOM 0 HD1 TYR A 97 12.885 2.676 -2.923 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.102 1.188 -4.204 1.00 0.00 H new ATOM 0 HE1 TYR A 97 11.757 4.211 -1.373 1.00 0.00 H new ATOM 0 HE2 TYR A 97 7.973 2.724 -2.658 1.00 0.00 H new ATOM 0 HH TYR A 97 8.465 4.910 -1.534 1.00 0.00 H new ATOM 1519 N GLU A 98 12.336 -0.442 -7.456 1.00 0.00 N ATOM 1520 CA GLU A 98 13.085 -1.397 -8.264 1.00 0.00 C ATOM 1521 C GLU A 98 12.983 -1.052 -9.747 1.00 0.00 C ATOM 1522 O GLU A 98 12.895 -1.939 -10.597 1.00 0.00 O ATOM 1523 CB GLU A 98 12.570 -2.817 -8.023 1.00 0.00 C ATOM 1524 CG GLU A 98 12.620 -3.243 -6.565 1.00 0.00 C ATOM 1525 CD GLU A 98 12.306 -4.715 -6.376 1.00 0.00 C ATOM 1526 OE1 GLU A 98 13.137 -5.556 -6.778 1.00 0.00 O ATOM 1527 OE2 GLU A 98 11.228 -5.025 -5.827 1.00 0.00 O ATOM 0 H GLU A 98 11.330 -0.610 -7.428 1.00 0.00 H new ATOM 0 HA GLU A 98 14.132 -1.343 -7.967 1.00 0.00 H new ATOM 0 HB2 GLU A 98 11.542 -2.887 -8.378 1.00 0.00 H new ATOM 0 HB3 GLU A 98 13.161 -3.514 -8.617 1.00 0.00 H new ATOM 0 HG2 GLU A 98 13.611 -3.032 -6.163 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.910 -2.647 -5.992 1.00 0.00 H new ATOM 1534 N ALA A 99 12.996 0.241 -10.050 1.00 0.00 N ATOM 1535 CA ALA A 99 12.907 0.704 -11.430 1.00 0.00 C ATOM 1536 C ALA A 99 14.280 1.089 -11.970 1.00 0.00 C ATOM 1537 O ALA A 99 14.526 1.019 -13.173 1.00 0.00 O ATOM 1538 CB ALA A 99 11.949 1.881 -11.531 1.00 0.00 C ATOM 0 H ALA A 99 13.067 0.987 -9.359 1.00 0.00 H new ATOM 0 HA ALA A 99 12.524 -0.116 -12.038 1.00 0.00 H new ATOM 0 HB1 ALA A 99 11.892 2.216 -12.567 1.00 0.00 H new ATOM 0 HB2 ALA A 99 10.959 1.574 -11.194 1.00 0.00 H new ATOM 0 HB3 ALA A 99 12.308 2.697 -10.905 1.00 0.00 H new ATOM 1544 N ASN A 100 15.171 1.496 -11.071 1.00 0.00 N ATOM 1545 CA ASN A 100 16.520 1.894 -11.459 1.00 0.00 C ATOM 1546 C ASN A 100 17.502 0.742 -11.269 1.00 0.00 C ATOM 1547 O ASN A 100 18.717 0.945 -11.249 1.00 0.00 O ATOM 1548 CB ASN A 100 16.972 3.105 -10.639 1.00 0.00 C ATOM 1549 CG ASN A 100 16.451 4.412 -11.204 1.00 0.00 C ATOM 1550 OD1 ASN A 100 16.906 4.874 -12.251 1.00 0.00 O ATOM 1551 ND2 ASN A 100 15.491 5.015 -10.512 1.00 0.00 N ATOM 0 H ASN A 100 14.984 1.559 -10.070 1.00 0.00 H new ATOM 0 HA ASN A 100 16.504 2.164 -12.515 1.00 0.00 H new ATOM 0 HB2 ASN A 100 16.627 2.994 -9.611 1.00 0.00 H new ATOM 0 HB3 ASN A 100 18.061 3.134 -10.609 1.00 0.00 H new ATOM 0 HD21 ASN A 100 15.101 5.897 -10.843 1.00 0.00 H new ATOM 0 HD22 ASN A 100 15.144 4.596 -9.649 1.00 0.00 H new ATOM 1558 N LEU A 101 16.968 -0.466 -11.131 1.00 0.00 N ATOM 1559 CA LEU A 101 17.797 -1.652 -10.944 1.00 0.00 C ATOM 1560 C LEU A 101 18.365 -2.135 -12.274 1.00 0.00 C ATOM 1561 O LEU A 101 17.723 -2.044 -13.321 1.00 0.00 O ATOM 1562 CB LEU A 101 16.984 -2.769 -10.288 1.00 0.00 C ATOM 1563 CG LEU A 101 16.699 -2.604 -8.795 1.00 0.00 C ATOM 1564 CD1 LEU A 101 15.875 -3.772 -8.276 1.00 0.00 C ATOM 1565 CD2 LEU A 101 17.999 -2.478 -8.014 1.00 0.00 C ATOM 0 H LEU A 101 15.965 -0.651 -11.145 1.00 0.00 H new ATOM 0 HA LEU A 101 18.628 -1.384 -10.291 1.00 0.00 H new ATOM 0 HB2 LEU A 101 16.032 -2.854 -10.812 1.00 0.00 H new ATOM 0 HB3 LEU A 101 17.513 -3.710 -10.434 1.00 0.00 H new ATOM 0 HG LEU A 101 16.124 -1.689 -8.654 1.00 0.00 H new ATOM 0 HD11 LEU A 101 15.682 -3.637 -7.212 1.00 0.00 H new ATOM 0 HD12 LEU A 101 14.928 -3.816 -8.814 1.00 0.00 H new ATOM 0 HD13 LEU A 101 16.424 -4.701 -8.430 1.00 0.00 H new ATOM 0 HD21 LEU A 101 17.776 -2.361 -6.953 1.00 0.00 H new ATOM 0 HD22 LEU A 101 18.601 -3.375 -8.162 1.00 0.00 H new ATOM 0 HD23 LEU A 101 18.552 -1.608 -8.366 1.00 0.00 H new ATOM 1577 N PRO A 102 19.598 -2.662 -12.235 1.00 0.00 N ATOM 1578 CA PRO A 102 20.279 -3.173 -13.429 1.00 0.00 C ATOM 1579 C PRO A 102 19.641 -4.454 -13.957 1.00 0.00 C ATOM 1580 O PRO A 102 18.958 -5.166 -13.221 1.00 0.00 O ATOM 1581 CB PRO A 102 21.701 -3.448 -12.936 1.00 0.00 C ATOM 1582 CG PRO A 102 21.556 -3.681 -11.471 1.00 0.00 C ATOM 1583 CD PRO A 102 20.422 -2.802 -11.023 1.00 0.00 C ATOM 0 HA PRO A 102 20.230 -2.468 -14.259 1.00 0.00 H new ATOM 0 HB2 PRO A 102 22.132 -4.317 -13.434 1.00 0.00 H new ATOM 0 HB3 PRO A 102 22.361 -2.604 -13.139 1.00 0.00 H new ATOM 0 HG2 PRO A 102 21.343 -4.729 -11.262 1.00 0.00 H new ATOM 0 HG3 PRO A 102 22.476 -3.431 -10.943 1.00 0.00 H new ATOM 0 HD2 PRO A 102 19.861 -3.256 -10.206 1.00 0.00 H new ATOM 0 HD3 PRO A 102 20.779 -1.836 -10.666 1.00 0.00 H new ATOM 1591 N GLU A 103 19.869 -4.740 -15.235 1.00 0.00 N ATOM 1592 CA GLU A 103 19.315 -5.935 -15.860 1.00 0.00 C ATOM 1593 C GLU A 103 19.785 -7.194 -15.137 1.00 0.00 C ATOM 1594 O GLU A 103 19.044 -8.169 -15.019 1.00 0.00 O ATOM 1595 CB GLU A 103 19.718 -6.000 -17.334 1.00 0.00 C ATOM 1596 CG GLU A 103 19.490 -7.362 -17.968 1.00 0.00 C ATOM 1597 CD GLU A 103 18.022 -7.652 -18.215 1.00 0.00 C ATOM 1598 OE1 GLU A 103 17.271 -6.699 -18.510 1.00 0.00 O ATOM 1599 OE2 GLU A 103 17.625 -8.831 -18.113 1.00 0.00 O ATOM 0 H GLU A 103 20.433 -4.161 -15.857 1.00 0.00 H new ATOM 0 HA GLU A 103 18.229 -5.880 -15.790 1.00 0.00 H new ATOM 0 HB2 GLU A 103 19.154 -5.251 -17.890 1.00 0.00 H new ATOM 0 HB3 GLU A 103 20.772 -5.738 -17.426 1.00 0.00 H new ATOM 0 HG2 GLU A 103 20.031 -7.414 -18.913 1.00 0.00 H new ATOM 0 HG3 GLU A 103 19.905 -8.134 -17.320 1.00 0.00 H new ATOM 1606 N ASN A 104 21.024 -7.166 -14.655 1.00 0.00 N ATOM 1607 CA ASN A 104 21.594 -8.304 -13.945 1.00 0.00 C ATOM 1608 C ASN A 104 21.610 -8.054 -12.440 1.00 0.00 C ATOM 1609 O ASN A 104 22.514 -8.503 -11.734 1.00 0.00 O ATOM 1610 CB ASN A 104 23.014 -8.583 -14.442 1.00 0.00 C ATOM 1611 CG ASN A 104 23.953 -7.418 -14.191 1.00 0.00 C ATOM 1612 OD1 ASN A 104 24.167 -7.014 -13.048 1.00 0.00 O ATOM 1613 ND2 ASN A 104 24.518 -6.873 -15.262 1.00 0.00 N ATOM 0 H ASN A 104 21.652 -6.367 -14.744 1.00 0.00 H new ATOM 0 HA ASN A 104 20.969 -9.174 -14.144 1.00 0.00 H new ATOM 0 HB2 ASN A 104 23.402 -9.472 -13.945 1.00 0.00 H new ATOM 0 HB3 ASN A 104 22.986 -8.801 -15.510 1.00 0.00 H new ATOM 0 HD21 ASN A 104 25.159 -6.086 -15.156 1.00 0.00 H new ATOM 0 HD22 ASN A 104 24.311 -7.241 -16.191 1.00 0.00 H new ATOM 1620 N PHE A 105 20.603 -7.335 -11.954 1.00 0.00 N ATOM 1621 CA PHE A 105 20.501 -7.025 -10.533 1.00 0.00 C ATOM 1622 C PHE A 105 20.484 -8.301 -9.697 1.00 0.00 C ATOM 1623 O PHE A 105 20.236 -9.391 -10.214 1.00 0.00 O ATOM 1624 CB PHE A 105 19.239 -6.205 -10.258 1.00 0.00 C ATOM 1625 CG PHE A 105 18.811 -6.228 -8.818 1.00 0.00 C ATOM 1626 CD1 PHE A 105 19.451 -5.436 -7.879 1.00 0.00 C ATOM 1627 CD2 PHE A 105 17.769 -7.042 -8.405 1.00 0.00 C ATOM 1628 CE1 PHE A 105 19.060 -5.454 -6.553 1.00 0.00 C ATOM 1629 CE2 PHE A 105 17.372 -7.064 -7.081 1.00 0.00 C ATOM 1630 CZ PHE A 105 18.019 -6.270 -6.154 1.00 0.00 C ATOM 0 H PHE A 105 19.846 -6.956 -12.524 1.00 0.00 H new ATOM 0 HA PHE A 105 21.376 -6.439 -10.251 1.00 0.00 H new ATOM 0 HB2 PHE A 105 19.413 -5.172 -10.561 1.00 0.00 H new ATOM 0 HB3 PHE A 105 18.426 -6.586 -10.876 1.00 0.00 H new ATOM 0 HD1 PHE A 105 20.265 -4.797 -8.186 1.00 0.00 H new ATOM 0 HD2 PHE A 105 17.261 -7.666 -9.125 1.00 0.00 H new ATOM 0 HE1 PHE A 105 19.567 -4.832 -5.831 1.00 0.00 H new ATOM 0 HE2 PHE A 105 16.557 -7.701 -6.772 1.00 0.00 H new ATOM 0 HZ PHE A 105 17.711 -6.287 -5.119 1.00 0.00 H new ATOM 1640 N ARG A 106 20.749 -8.158 -8.403 1.00 0.00 N ATOM 1641 CA ARG A 106 20.766 -9.299 -7.495 1.00 0.00 C ATOM 1642 C ARG A 106 20.042 -8.968 -6.194 1.00 0.00 C ATOM 1643 O ARG A 106 20.064 -7.828 -5.732 1.00 0.00 O ATOM 1644 CB ARG A 106 22.207 -9.719 -7.198 1.00 0.00 C ATOM 1645 CG ARG A 106 22.999 -8.675 -6.428 1.00 0.00 C ATOM 1646 CD ARG A 106 22.875 -8.877 -4.926 1.00 0.00 C ATOM 1647 NE ARG A 106 23.554 -10.090 -4.479 1.00 0.00 N ATOM 1648 CZ ARG A 106 23.903 -10.315 -3.218 1.00 0.00 C ATOM 1649 NH1 ARG A 106 23.639 -9.413 -2.282 1.00 0.00 N ATOM 1650 NH2 ARG A 106 24.518 -11.444 -2.889 1.00 0.00 N ATOM 0 H ARG A 106 20.955 -7.263 -7.959 1.00 0.00 H new ATOM 0 HA ARG A 106 20.246 -10.126 -7.979 1.00 0.00 H new ATOM 0 HB2 ARG A 106 22.196 -10.648 -6.628 1.00 0.00 H new ATOM 0 HB3 ARG A 106 22.717 -9.929 -8.138 1.00 0.00 H new ATOM 0 HG2 ARG A 106 24.049 -8.727 -6.718 1.00 0.00 H new ATOM 0 HG3 ARG A 106 22.644 -7.679 -6.693 1.00 0.00 H new ATOM 0 HD2 ARG A 106 23.295 -8.015 -4.408 1.00 0.00 H new ATOM 0 HD3 ARG A 106 21.821 -8.930 -4.653 1.00 0.00 H new ATOM 0 HE ARG A 106 23.772 -10.804 -5.174 1.00 0.00 H new ATOM 0 HH11 ARG A 106 23.167 -8.544 -2.530 1.00 0.00 H new ATOM 0 HH12 ARG A 106 23.908 -9.589 -1.314 1.00 0.00 H new ATOM 0 HH21 ARG A 106 24.723 -12.140 -3.605 1.00 0.00 H new ATOM 0 HH22 ARG A 106 24.785 -11.615 -1.920 1.00 0.00 H new ATOM 1664 N ARG A 107 19.400 -9.974 -5.608 1.00 0.00 N ATOM 1665 CA ARG A 107 18.668 -9.791 -4.361 1.00 0.00 C ATOM 1666 C ARG A 107 19.437 -10.386 -3.186 1.00 0.00 C ATOM 1667 O ARG A 107 19.699 -11.588 -3.128 1.00 0.00 O ATOM 1668 CB ARG A 107 17.284 -10.436 -4.457 1.00 0.00 C ATOM 1669 CG ARG A 107 16.227 -9.737 -3.618 1.00 0.00 C ATOM 1670 CD ARG A 107 14.823 -10.128 -4.053 1.00 0.00 C ATOM 1671 NE ARG A 107 14.583 -9.825 -5.462 1.00 0.00 N ATOM 1672 CZ ARG A 107 13.675 -10.451 -6.203 1.00 0.00 C ATOM 1673 NH1 ARG A 107 12.926 -11.408 -5.673 1.00 0.00 N ATOM 1674 NH2 ARG A 107 13.515 -10.120 -7.478 1.00 0.00 N ATOM 0 H ARG A 107 19.372 -10.924 -5.977 1.00 0.00 H new ATOM 0 HA ARG A 107 18.552 -8.720 -4.192 1.00 0.00 H new ATOM 0 HB2 ARG A 107 16.965 -10.439 -5.499 1.00 0.00 H new ATOM 0 HB3 ARG A 107 17.355 -11.477 -4.143 1.00 0.00 H new ATOM 0 HG2 ARG A 107 16.368 -9.991 -2.567 1.00 0.00 H new ATOM 0 HG3 ARG A 107 16.348 -8.657 -3.704 1.00 0.00 H new ATOM 0 HD2 ARG A 107 14.674 -11.194 -3.881 1.00 0.00 H new ATOM 0 HD3 ARG A 107 14.093 -9.600 -3.439 1.00 0.00 H new ATOM 0 HE ARG A 107 15.143 -9.094 -5.900 1.00 0.00 H new ATOM 0 HH11 ARG A 107 13.046 -11.666 -4.693 1.00 0.00 H new ATOM 0 HH12 ARG A 107 12.230 -11.886 -6.245 1.00 0.00 H new ATOM 0 HH21 ARG A 107 14.089 -9.385 -7.890 1.00 0.00 H new ATOM 0 HH22 ARG A 107 12.818 -10.601 -8.046 1.00 0.00 H new ATOM 1688 N PRO A 108 19.810 -9.527 -2.225 1.00 0.00 N ATOM 1689 CA PRO A 108 20.554 -9.945 -1.034 1.00 0.00 C ATOM 1690 C PRO A 108 19.707 -10.789 -0.087 1.00 0.00 C ATOM 1691 O PRO A 108 18.495 -10.600 0.009 1.00 0.00 O ATOM 1692 CB PRO A 108 20.937 -8.620 -0.371 1.00 0.00 C ATOM 1693 CG PRO A 108 19.905 -7.652 -0.836 1.00 0.00 C ATOM 1694 CD PRO A 108 19.531 -8.081 -2.228 1.00 0.00 C ATOM 0 HA PRO A 108 21.408 -10.573 -1.287 1.00 0.00 H new ATOM 0 HB2 PRO A 108 20.938 -8.707 0.716 1.00 0.00 H new ATOM 0 HB3 PRO A 108 21.938 -8.304 -0.666 1.00 0.00 H new ATOM 0 HG2 PRO A 108 19.036 -7.662 -0.178 1.00 0.00 H new ATOM 0 HG3 PRO A 108 20.295 -6.634 -0.833 1.00 0.00 H new ATOM 0 HD2 PRO A 108 18.483 -7.874 -2.444 1.00 0.00 H new ATOM 0 HD3 PRO A 108 20.121 -7.559 -2.982 1.00 0.00 H new ATOM 1702 N GLN A 109 20.354 -11.718 0.609 1.00 0.00 N ATOM 1703 CA GLN A 109 19.659 -12.590 1.548 1.00 0.00 C ATOM 1704 C GLN A 109 20.200 -12.409 2.962 1.00 0.00 C ATOM 1705 O GLN A 109 19.449 -12.455 3.937 1.00 0.00 O ATOM 1706 CB GLN A 109 19.798 -14.052 1.119 1.00 0.00 C ATOM 1707 CG GLN A 109 18.742 -14.496 0.120 1.00 0.00 C ATOM 1708 CD GLN A 109 17.332 -14.202 0.593 1.00 0.00 C ATOM 1709 OE1 GLN A 109 17.069 -14.131 1.794 1.00 0.00 O ATOM 1710 NE2 GLN A 109 16.415 -14.029 -0.352 1.00 0.00 N ATOM 0 H GLN A 109 21.358 -11.886 0.540 1.00 0.00 H new ATOM 0 HA GLN A 109 18.604 -12.317 1.545 1.00 0.00 H new ATOM 0 HB2 GLN A 109 20.785 -14.201 0.682 1.00 0.00 H new ATOM 0 HB3 GLN A 109 19.741 -14.688 2.002 1.00 0.00 H new ATOM 0 HG2 GLN A 109 18.914 -13.994 -0.832 1.00 0.00 H new ATOM 0 HG3 GLN A 109 18.845 -15.566 -0.061 1.00 0.00 H new ATOM 0 HE21 GLN A 109 16.677 -14.097 -1.335 1.00 0.00 H new ATOM 0 HE22 GLN A 109 15.449 -13.828 -0.094 1.00 0.00 H new ATOM 1719 N THR A 110 21.509 -12.205 3.068 1.00 0.00 N ATOM 1720 CA THR A 110 22.152 -12.019 4.363 1.00 0.00 C ATOM 1721 C THR A 110 21.901 -10.616 4.905 1.00 0.00 C ATOM 1722 O THR A 110 22.029 -9.629 4.181 1.00 0.00 O ATOM 1723 CB THR A 110 23.671 -12.259 4.276 1.00 0.00 C ATOM 1724 OG1 THR A 110 24.161 -11.839 2.998 1.00 0.00 O ATOM 1725 CG2 THR A 110 24.000 -13.728 4.493 1.00 0.00 C ATOM 0 H THR A 110 22.145 -12.164 2.272 1.00 0.00 H new ATOM 0 HA THR A 110 21.714 -12.752 5.041 1.00 0.00 H new ATOM 0 HB THR A 110 24.154 -11.675 5.060 1.00 0.00 H new ATOM 0 HG1 THR A 110 25.128 -11.993 2.951 1.00 0.00 H new ATOM 0 HG21 THR A 110 25.078 -13.873 4.427 1.00 0.00 H new ATOM 0 HG22 THR A 110 23.652 -14.037 5.479 1.00 0.00 H new ATOM 0 HG23 THR A 110 23.506 -14.328 3.729 1.00 0.00 H new ATOM 1733 N ASP A 111 21.543 -10.536 6.182 1.00 0.00 N ATOM 1734 CA ASP A 111 21.276 -9.253 6.821 1.00 0.00 C ATOM 1735 C ASP A 111 22.372 -8.244 6.495 1.00 0.00 C ATOM 1736 O ASP A 111 22.106 -7.188 5.922 1.00 0.00 O ATOM 1737 CB ASP A 111 21.162 -9.428 8.337 1.00 0.00 C ATOM 1738 CG ASP A 111 19.849 -10.067 8.748 1.00 0.00 C ATOM 1739 OD1 ASP A 111 19.708 -11.296 8.577 1.00 0.00 O ATOM 1740 OD2 ASP A 111 18.963 -9.337 9.240 1.00 0.00 O ATOM 0 H ASP A 111 21.431 -11.344 6.794 1.00 0.00 H new ATOM 0 HA ASP A 111 20.331 -8.873 6.434 1.00 0.00 H new ATOM 0 HB2 ASP A 111 21.989 -10.043 8.692 1.00 0.00 H new ATOM 0 HB3 ASP A 111 21.257 -8.456 8.820 1.00 0.00 H new ATOM 1745 N GLN A 112 23.605 -8.577 6.865 1.00 0.00 N ATOM 1746 CA GLN A 112 24.741 -7.698 6.613 1.00 0.00 C ATOM 1747 C GLN A 112 24.576 -6.962 5.287 1.00 0.00 C ATOM 1748 O GLN A 112 24.972 -5.804 5.156 1.00 0.00 O ATOM 1749 CB GLN A 112 26.042 -8.502 6.605 1.00 0.00 C ATOM 1750 CG GLN A 112 25.979 -9.754 5.745 1.00 0.00 C ATOM 1751 CD GLN A 112 27.312 -10.470 5.658 1.00 0.00 C ATOM 1752 OE1 GLN A 112 27.683 -11.227 6.556 1.00 0.00 O ATOM 1753 NE2 GLN A 112 28.041 -10.236 4.573 1.00 0.00 N ATOM 0 H GLN A 112 23.842 -9.448 7.340 1.00 0.00 H new ATOM 0 HA GLN A 112 24.783 -6.960 7.414 1.00 0.00 H new ATOM 0 HB2 GLN A 112 26.851 -7.865 6.246 1.00 0.00 H new ATOM 0 HB3 GLN A 112 26.290 -8.786 7.628 1.00 0.00 H new ATOM 0 HG2 GLN A 112 25.232 -10.434 6.154 1.00 0.00 H new ATOM 0 HG3 GLN A 112 25.649 -9.485 4.742 1.00 0.00 H new ATOM 0 HE21 GLN A 112 27.695 -9.601 3.853 1.00 0.00 H new ATOM 0 HE22 GLN A 112 28.947 -10.691 4.459 1.00 0.00 H new ATOM 1762 N ALA A 113 23.990 -7.642 4.307 1.00 0.00 N ATOM 1763 CA ALA A 113 23.771 -7.052 2.993 1.00 0.00 C ATOM 1764 C ALA A 113 22.390 -6.413 2.900 1.00 0.00 C ATOM 1765 O ALA A 113 22.266 -5.200 2.725 1.00 0.00 O ATOM 1766 CB ALA A 113 23.942 -8.104 1.907 1.00 0.00 C ATOM 0 H ALA A 113 23.658 -8.602 4.399 1.00 0.00 H new ATOM 0 HA ALA A 113 24.515 -6.269 2.846 1.00 0.00 H new ATOM 0 HB1 ALA A 113 23.775 -7.649 0.930 1.00 0.00 H new ATOM 0 HB2 ALA A 113 24.952 -8.511 1.950 1.00 0.00 H new ATOM 0 HB3 ALA A 113 23.221 -8.907 2.061 1.00 0.00 H new ATOM 1772 N VAL A 114 21.353 -7.236 3.019 1.00 0.00 N ATOM 1773 CA VAL A 114 19.980 -6.750 2.949 1.00 0.00 C ATOM 1774 C VAL A 114 19.849 -5.377 3.597 1.00 0.00 C ATOM 1775 O VAL A 114 19.435 -4.413 2.953 1.00 0.00 O ATOM 1776 CB VAL A 114 19.005 -7.725 3.637 1.00 0.00 C ATOM 1777 CG1 VAL A 114 17.611 -7.120 3.713 1.00 0.00 C ATOM 1778 CG2 VAL A 114 18.977 -9.057 2.903 1.00 0.00 C ATOM 0 H VAL A 114 21.438 -8.242 3.164 1.00 0.00 H new ATOM 0 HA VAL A 114 19.724 -6.675 1.892 1.00 0.00 H new ATOM 0 HB VAL A 114 19.354 -7.904 4.654 1.00 0.00 H new ATOM 0 HG11 VAL A 114 16.936 -7.822 4.202 1.00 0.00 H new ATOM 0 HG12 VAL A 114 17.647 -6.193 4.286 1.00 0.00 H new ATOM 0 HG13 VAL A 114 17.250 -6.910 2.706 1.00 0.00 H new ATOM 0 HG21 VAL A 114 18.283 -9.733 3.403 1.00 0.00 H new ATOM 0 HG22 VAL A 114 18.652 -8.899 1.875 1.00 0.00 H new ATOM 0 HG23 VAL A 114 19.975 -9.495 2.905 1.00 0.00 H new ATOM 1788 N GLU A 115 20.206 -5.294 4.875 1.00 0.00 N ATOM 1789 CA GLU A 115 20.128 -4.037 5.609 1.00 0.00 C ATOM 1790 C GLU A 115 20.548 -2.865 4.728 1.00 0.00 C ATOM 1791 O GLU A 115 19.846 -1.857 4.639 1.00 0.00 O ATOM 1792 CB GLU A 115 21.011 -4.094 6.857 1.00 0.00 C ATOM 1793 CG GLU A 115 21.035 -2.796 7.646 1.00 0.00 C ATOM 1794 CD GLU A 115 21.729 -2.940 8.987 1.00 0.00 C ATOM 1795 OE1 GLU A 115 21.611 -4.020 9.603 1.00 0.00 O ATOM 1796 OE2 GLU A 115 22.390 -1.973 9.419 1.00 0.00 O ATOM 0 H GLU A 115 20.552 -6.082 5.423 1.00 0.00 H new ATOM 0 HA GLU A 115 19.092 -3.887 5.912 1.00 0.00 H new ATOM 0 HB2 GLU A 115 20.658 -4.897 7.505 1.00 0.00 H new ATOM 0 HB3 GLU A 115 22.029 -4.348 6.560 1.00 0.00 H new ATOM 0 HG2 GLU A 115 21.541 -2.029 7.060 1.00 0.00 H new ATOM 0 HG3 GLU A 115 20.013 -2.453 7.805 1.00 0.00 H new ATOM 1803 N PHE A 116 21.699 -3.004 4.078 1.00 0.00 N ATOM 1804 CA PHE A 116 22.215 -1.956 3.204 1.00 0.00 C ATOM 1805 C PHE A 116 21.312 -1.769 1.988 1.00 0.00 C ATOM 1806 O PHE A 116 20.746 -0.695 1.781 1.00 0.00 O ATOM 1807 CB PHE A 116 23.636 -2.296 2.750 1.00 0.00 C ATOM 1808 CG PHE A 116 24.688 -1.953 3.766 1.00 0.00 C ATOM 1809 CD1 PHE A 116 24.860 -0.646 4.191 1.00 0.00 C ATOM 1810 CD2 PHE A 116 25.504 -2.939 4.298 1.00 0.00 C ATOM 1811 CE1 PHE A 116 25.827 -0.328 5.125 1.00 0.00 C ATOM 1812 CE2 PHE A 116 26.473 -2.627 5.233 1.00 0.00 C ATOM 1813 CZ PHE A 116 26.634 -1.320 5.648 1.00 0.00 C ATOM 0 H PHE A 116 22.292 -3.832 4.140 1.00 0.00 H new ATOM 0 HA PHE A 116 22.234 -1.023 3.768 1.00 0.00 H new ATOM 0 HB2 PHE A 116 23.692 -3.361 2.526 1.00 0.00 H new ATOM 0 HB3 PHE A 116 23.850 -1.764 1.823 1.00 0.00 H new ATOM 0 HD1 PHE A 116 24.231 0.134 3.788 1.00 0.00 H new ATOM 0 HD2 PHE A 116 25.381 -3.963 3.978 1.00 0.00 H new ATOM 0 HE1 PHE A 116 25.952 0.696 5.446 1.00 0.00 H new ATOM 0 HE2 PHE A 116 27.103 -3.405 5.638 1.00 0.00 H new ATOM 0 HZ PHE A 116 27.389 -1.074 6.380 1.00 0.00 H new ATOM 1823 N PHE A 117 21.182 -2.820 1.187 1.00 0.00 N ATOM 1824 CA PHE A 117 20.350 -2.772 -0.010 1.00 0.00 C ATOM 1825 C PHE A 117 19.092 -1.944 0.236 1.00 0.00 C ATOM 1826 O PHE A 117 18.718 -1.106 -0.586 1.00 0.00 O ATOM 1827 CB PHE A 117 19.965 -4.187 -0.447 1.00 0.00 C ATOM 1828 CG PHE A 117 19.077 -4.220 -1.657 1.00 0.00 C ATOM 1829 CD1 PHE A 117 19.441 -3.558 -2.818 1.00 0.00 C ATOM 1830 CD2 PHE A 117 17.878 -4.913 -1.634 1.00 0.00 C ATOM 1831 CE1 PHE A 117 18.625 -3.586 -3.934 1.00 0.00 C ATOM 1832 CE2 PHE A 117 17.058 -4.945 -2.747 1.00 0.00 C ATOM 1833 CZ PHE A 117 17.433 -4.281 -3.898 1.00 0.00 C ATOM 0 H PHE A 117 21.642 -3.717 1.345 1.00 0.00 H new ATOM 0 HA PHE A 117 20.927 -2.298 -0.804 1.00 0.00 H new ATOM 0 HB2 PHE A 117 20.872 -4.753 -0.657 1.00 0.00 H new ATOM 0 HB3 PHE A 117 19.460 -4.689 0.378 1.00 0.00 H new ATOM 0 HD1 PHE A 117 20.373 -3.014 -2.852 1.00 0.00 H new ATOM 0 HD2 PHE A 117 17.580 -5.434 -0.736 1.00 0.00 H new ATOM 0 HE1 PHE A 117 18.920 -3.065 -4.833 1.00 0.00 H new ATOM 0 HE2 PHE A 117 16.125 -5.489 -2.716 1.00 0.00 H new ATOM 0 HZ PHE A 117 16.795 -4.305 -4.769 1.00 0.00 H new ATOM 1843 N ILE A 118 18.445 -2.184 1.371 1.00 0.00 N ATOM 1844 CA ILE A 118 17.230 -1.461 1.725 1.00 0.00 C ATOM 1845 C ILE A 118 17.531 0.004 2.026 1.00 0.00 C ATOM 1846 O ILE A 118 16.739 0.889 1.703 1.00 0.00 O ATOM 1847 CB ILE A 118 16.535 -2.092 2.946 1.00 0.00 C ATOM 1848 CG1 ILE A 118 16.146 -3.541 2.645 1.00 0.00 C ATOM 1849 CG2 ILE A 118 15.309 -1.279 3.336 1.00 0.00 C ATOM 1850 CD1 ILE A 118 15.671 -4.304 3.863 1.00 0.00 C ATOM 0 H ILE A 118 18.742 -2.874 2.061 1.00 0.00 H new ATOM 0 HA ILE A 118 16.563 -1.524 0.865 1.00 0.00 H new ATOM 0 HB ILE A 118 17.231 -2.089 3.785 1.00 0.00 H new ATOM 0 HG12 ILE A 118 15.358 -3.548 1.891 1.00 0.00 H new ATOM 0 HG13 ILE A 118 17.004 -4.057 2.214 1.00 0.00 H new ATOM 0 HG21 ILE A 118 14.828 -1.737 4.200 1.00 0.00 H new ATOM 0 HG22 ILE A 118 15.611 -0.262 3.586 1.00 0.00 H new ATOM 0 HG23 ILE A 118 14.608 -1.255 2.502 1.00 0.00 H new ATOM 0 HD11 ILE A 118 15.412 -5.323 3.576 1.00 0.00 H new ATOM 0 HD12 ILE A 118 16.465 -4.328 4.610 1.00 0.00 H new ATOM 0 HD13 ILE A 118 14.794 -3.811 4.282 1.00 0.00 H new ATOM 1862 N ARG A 119 18.680 0.251 2.646 1.00 0.00 N ATOM 1863 CA ARG A 119 19.086 1.608 2.990 1.00 0.00 C ATOM 1864 C ARG A 119 19.425 2.409 1.736 1.00 0.00 C ATOM 1865 O ARG A 119 19.016 3.561 1.594 1.00 0.00 O ATOM 1866 CB ARG A 119 20.291 1.580 3.932 1.00 0.00 C ATOM 1867 CG ARG A 119 19.914 1.571 5.404 1.00 0.00 C ATOM 1868 CD ARG A 119 21.146 1.531 6.294 1.00 0.00 C ATOM 1869 NE ARG A 119 21.913 2.772 6.222 1.00 0.00 N ATOM 1870 CZ ARG A 119 22.830 3.016 5.292 1.00 0.00 C ATOM 1871 NH1 ARG A 119 23.091 2.110 4.360 1.00 0.00 N ATOM 1872 NH2 ARG A 119 23.486 4.169 5.293 1.00 0.00 N ATOM 0 H ARG A 119 19.346 -0.471 2.920 1.00 0.00 H new ATOM 0 HA ARG A 119 18.250 2.093 3.495 1.00 0.00 H new ATOM 0 HB2 ARG A 119 20.891 0.697 3.714 1.00 0.00 H new ATOM 0 HB3 ARG A 119 20.918 2.449 3.732 1.00 0.00 H new ATOM 0 HG2 ARG A 119 19.325 2.459 5.635 1.00 0.00 H new ATOM 0 HG3 ARG A 119 19.284 0.707 5.614 1.00 0.00 H new ATOM 0 HD2 ARG A 119 20.843 1.352 7.325 1.00 0.00 H new ATOM 0 HD3 ARG A 119 21.780 0.695 5.998 1.00 0.00 H new ATOM 0 HE ARG A 119 21.735 3.490 6.924 1.00 0.00 H new ATOM 0 HH11 ARG A 119 22.587 1.223 4.356 1.00 0.00 H new ATOM 0 HH12 ARG A 119 23.795 2.300 3.647 1.00 0.00 H new ATOM 0 HH21 ARG A 119 23.287 4.869 6.008 1.00 0.00 H new ATOM 0 HH22 ARG A 119 24.190 4.356 4.579 1.00 0.00 H new ATOM 1886 N ASP A 120 20.174 1.790 0.830 1.00 0.00 N ATOM 1887 CA ASP A 120 20.568 2.444 -0.412 1.00 0.00 C ATOM 1888 C ASP A 120 19.382 2.562 -1.364 1.00 0.00 C ATOM 1889 O ASP A 120 19.437 3.290 -2.356 1.00 0.00 O ATOM 1890 CB ASP A 120 21.702 1.669 -1.084 1.00 0.00 C ATOM 1891 CG ASP A 120 22.738 1.180 -0.090 1.00 0.00 C ATOM 1892 OD1 ASP A 120 23.232 2.005 0.705 1.00 0.00 O ATOM 1893 OD2 ASP A 120 23.054 -0.028 -0.109 1.00 0.00 O ATOM 0 H ASP A 120 20.520 0.836 0.933 1.00 0.00 H new ATOM 0 HA ASP A 120 20.918 3.448 -0.170 1.00 0.00 H new ATOM 0 HB2 ASP A 120 21.287 0.816 -1.621 1.00 0.00 H new ATOM 0 HB3 ASP A 120 22.185 2.307 -1.824 1.00 0.00 H new ATOM 1898 N LYS A 121 18.309 1.841 -1.056 1.00 0.00 N ATOM 1899 CA LYS A 121 17.109 1.864 -1.883 1.00 0.00 C ATOM 1900 C LYS A 121 16.001 2.670 -1.213 1.00 0.00 C ATOM 1901 O LYS A 121 15.085 3.156 -1.876 1.00 0.00 O ATOM 1902 CB LYS A 121 16.623 0.437 -2.153 1.00 0.00 C ATOM 1903 CG LYS A 121 15.317 0.375 -2.926 1.00 0.00 C ATOM 1904 CD LYS A 121 15.101 -0.995 -3.547 1.00 0.00 C ATOM 1905 CE LYS A 121 16.220 -1.353 -4.512 1.00 0.00 C ATOM 1906 NZ LYS A 121 15.744 -2.240 -5.609 1.00 0.00 N ATOM 0 H LYS A 121 18.246 1.233 -0.239 1.00 0.00 H new ATOM 0 HA LYS A 121 17.360 2.342 -2.830 1.00 0.00 H new ATOM 0 HB2 LYS A 121 17.391 -0.100 -2.710 1.00 0.00 H new ATOM 0 HB3 LYS A 121 16.498 -0.081 -1.202 1.00 0.00 H new ATOM 0 HG2 LYS A 121 14.487 0.608 -2.259 1.00 0.00 H new ATOM 0 HG3 LYS A 121 15.320 1.134 -3.708 1.00 0.00 H new ATOM 0 HD2 LYS A 121 15.043 -1.747 -2.760 1.00 0.00 H new ATOM 0 HD3 LYS A 121 14.147 -1.011 -4.073 1.00 0.00 H new ATOM 0 HE2 LYS A 121 16.638 -0.441 -4.938 1.00 0.00 H new ATOM 0 HE3 LYS A 121 17.024 -1.848 -3.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 16.497 -2.910 -5.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 14.906 -2.767 -5.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 15.497 -1.664 -6.439 1.00 0.00 H new ATOM 1920 N TYR A 122 16.093 2.810 0.105 1.00 0.00 N ATOM 1921 CA TYR A 122 15.098 3.557 0.865 1.00 0.00 C ATOM 1922 C TYR A 122 15.731 4.762 1.554 1.00 0.00 C ATOM 1923 O TYR A 122 15.206 5.873 1.491 1.00 0.00 O ATOM 1924 CB TYR A 122 14.434 2.652 1.904 1.00 0.00 C ATOM 1925 CG TYR A 122 13.616 1.534 1.298 1.00 0.00 C ATOM 1926 CD1 TYR A 122 14.181 0.646 0.391 1.00 0.00 C ATOM 1927 CD2 TYR A 122 12.278 1.365 1.633 1.00 0.00 C ATOM 1928 CE1 TYR A 122 13.438 -0.376 -0.166 1.00 0.00 C ATOM 1929 CE2 TYR A 122 11.528 0.344 1.082 1.00 0.00 C ATOM 1930 CZ TYR A 122 12.112 -0.524 0.183 1.00 0.00 C ATOM 1931 OH TYR A 122 11.367 -1.541 -0.368 1.00 0.00 O ATOM 0 H TYR A 122 16.846 2.416 0.669 1.00 0.00 H new ATOM 0 HA TYR A 122 14.340 3.916 0.169 1.00 0.00 H new ATOM 0 HB2 TYR A 122 15.204 2.222 2.544 1.00 0.00 H new ATOM 0 HB3 TYR A 122 13.790 3.257 2.542 1.00 0.00 H new ATOM 0 HD1 TYR A 122 15.220 0.757 0.117 1.00 0.00 H new ATOM 0 HD2 TYR A 122 11.817 2.043 2.336 1.00 0.00 H new ATOM 0 HE1 TYR A 122 13.893 -1.056 -0.871 1.00 0.00 H new ATOM 0 HE2 TYR A 122 10.489 0.226 1.354 1.00 0.00 H new ATOM 0 HH TYR A 122 11.783 -2.403 -0.156 1.00 0.00 H new ATOM 1941 N GLU A 123 16.863 4.532 2.212 1.00 0.00 N ATOM 1942 CA GLU A 123 17.568 5.598 2.914 1.00 0.00 C ATOM 1943 C GLU A 123 18.085 6.646 1.932 1.00 0.00 C ATOM 1944 O GLU A 123 17.597 7.775 1.897 1.00 0.00 O ATOM 1945 CB GLU A 123 18.732 5.023 3.723 1.00 0.00 C ATOM 1946 CG GLU A 123 19.035 5.802 4.992 1.00 0.00 C ATOM 1947 CD GLU A 123 20.486 5.686 5.416 1.00 0.00 C ATOM 1948 OE1 GLU A 123 21.347 5.488 4.533 1.00 0.00 O ATOM 1949 OE2 GLU A 123 20.761 5.793 6.629 1.00 0.00 O ATOM 0 H GLU A 123 17.311 3.618 2.274 1.00 0.00 H new ATOM 0 HA GLU A 123 16.865 6.078 3.594 1.00 0.00 H new ATOM 0 HB2 GLU A 123 18.505 3.990 3.986 1.00 0.00 H new ATOM 0 HB3 GLU A 123 19.624 5.004 3.097 1.00 0.00 H new ATOM 0 HG2 GLU A 123 18.789 6.852 4.836 1.00 0.00 H new ATOM 0 HG3 GLU A 123 18.395 5.441 5.797 1.00 0.00 H new ATOM 1956 N LYS A 124 19.078 6.263 1.137 1.00 0.00 N ATOM 1957 CA LYS A 124 19.663 7.167 0.153 1.00 0.00 C ATOM 1958 C LYS A 124 18.731 7.351 -1.040 1.00 0.00 C ATOM 1959 O LYS A 124 18.777 8.372 -1.726 1.00 0.00 O ATOM 1960 CB LYS A 124 21.016 6.632 -0.321 1.00 0.00 C ATOM 1961 CG LYS A 124 21.998 6.374 0.809 1.00 0.00 C ATOM 1962 CD LYS A 124 23.404 6.137 0.283 1.00 0.00 C ATOM 1963 CE LYS A 124 24.444 6.294 1.382 1.00 0.00 C ATOM 1964 NZ LYS A 124 24.607 7.716 1.791 1.00 0.00 N ATOM 0 H LYS A 124 19.495 5.332 1.155 1.00 0.00 H new ATOM 0 HA LYS A 124 19.809 8.136 0.630 1.00 0.00 H new ATOM 0 HB2 LYS A 124 20.858 5.705 -0.872 1.00 0.00 H new ATOM 0 HB3 LYS A 124 21.456 7.346 -1.017 1.00 0.00 H new ATOM 0 HG2 LYS A 124 22.002 7.225 1.490 1.00 0.00 H new ATOM 0 HG3 LYS A 124 21.673 5.507 1.384 1.00 0.00 H new ATOM 0 HD2 LYS A 124 23.471 5.136 -0.142 1.00 0.00 H new ATOM 0 HD3 LYS A 124 23.616 6.840 -0.523 1.00 0.00 H new ATOM 0 HE2 LYS A 124 24.151 5.698 2.247 1.00 0.00 H new ATOM 0 HE3 LYS A 124 25.401 5.904 1.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 25.499 7.827 2.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 24.625 8.321 0.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 23.811 7.996 2.400 1.00 0.00 H new ATOM 1978 N LYS A 125 17.883 6.356 -1.280 1.00 0.00 N ATOM 1979 CA LYS A 125 16.937 6.408 -2.389 1.00 0.00 C ATOM 1980 C LYS A 125 17.668 6.440 -3.727 1.00 0.00 C ATOM 1981 O LYS A 125 17.315 7.210 -4.621 1.00 0.00 O ATOM 1982 CB LYS A 125 16.035 7.638 -2.259 1.00 0.00 C ATOM 1983 CG LYS A 125 15.158 7.621 -1.019 1.00 0.00 C ATOM 1984 CD LYS A 125 14.012 6.633 -1.160 1.00 0.00 C ATOM 1985 CE LYS A 125 12.851 6.992 -0.244 1.00 0.00 C ATOM 1986 NZ LYS A 125 12.218 8.283 -0.631 1.00 0.00 N ATOM 0 H LYS A 125 17.832 5.504 -0.721 1.00 0.00 H new ATOM 0 HA LYS A 125 16.323 5.508 -2.352 1.00 0.00 H new ATOM 0 HB2 LYS A 125 16.656 8.533 -2.242 1.00 0.00 H new ATOM 0 HB3 LYS A 125 15.400 7.707 -3.142 1.00 0.00 H new ATOM 0 HG2 LYS A 125 15.761 7.359 -0.150 1.00 0.00 H new ATOM 0 HG3 LYS A 125 14.759 8.620 -0.841 1.00 0.00 H new ATOM 0 HD2 LYS A 125 13.669 6.617 -2.195 1.00 0.00 H new ATOM 0 HD3 LYS A 125 14.365 5.629 -0.925 1.00 0.00 H new ATOM 0 HE2 LYS A 125 12.105 6.198 -0.275 1.00 0.00 H new ATOM 0 HE3 LYS A 125 13.206 7.056 0.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 11.226 8.291 -0.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 12.730 9.069 -0.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 12.255 8.392 -1.665 1.00 0.00 H new ATOM 2000 N LYS A 126 18.686 5.597 -3.860 1.00 0.00 N ATOM 2001 CA LYS A 126 19.466 5.526 -5.090 1.00 0.00 C ATOM 2002 C LYS A 126 18.630 4.955 -6.231 1.00 0.00 C ATOM 2003 O LYS A 126 18.374 5.633 -7.226 1.00 0.00 O ATOM 2004 CB LYS A 126 20.714 4.667 -4.878 1.00 0.00 C ATOM 2005 CG LYS A 126 21.949 5.469 -4.505 1.00 0.00 C ATOM 2006 CD LYS A 126 23.028 4.585 -3.903 1.00 0.00 C ATOM 2007 CE LYS A 126 22.957 4.575 -2.384 1.00 0.00 C ATOM 2008 NZ LYS A 126 24.006 3.704 -1.785 1.00 0.00 N ATOM 0 H LYS A 126 18.991 4.953 -3.130 1.00 0.00 H new ATOM 0 HA LYS A 126 19.771 6.538 -5.357 1.00 0.00 H new ATOM 0 HB2 LYS A 126 20.514 3.938 -4.093 1.00 0.00 H new ATOM 0 HB3 LYS A 126 20.917 4.106 -5.790 1.00 0.00 H new ATOM 0 HG2 LYS A 126 22.340 5.970 -5.391 1.00 0.00 H new ATOM 0 HG3 LYS A 126 21.677 6.248 -3.793 1.00 0.00 H new ATOM 0 HD2 LYS A 126 22.919 3.568 -4.280 1.00 0.00 H new ATOM 0 HD3 LYS A 126 24.009 4.939 -4.220 1.00 0.00 H new ATOM 0 HE2 LYS A 126 23.071 5.592 -2.008 1.00 0.00 H new ATOM 0 HE3 LYS A 126 21.973 4.228 -2.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 23.710 3.408 -0.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 24.142 2.863 -2.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 24.900 4.231 -1.721 1.00 0.00 H new ATOM 2022 N TYR A 127 18.207 3.705 -6.080 1.00 0.00 N ATOM 2023 CA TYR A 127 17.401 3.042 -7.098 1.00 0.00 C ATOM 2024 C TYR A 127 15.956 3.530 -7.052 1.00 0.00 C ATOM 2025 O TYR A 127 15.095 3.027 -7.775 1.00 0.00 O ATOM 2026 CB TYR A 127 17.445 1.525 -6.906 1.00 0.00 C ATOM 2027 CG TYR A 127 18.797 1.010 -6.467 1.00 0.00 C ATOM 2028 CD1 TYR A 127 19.202 1.109 -5.141 1.00 0.00 C ATOM 2029 CD2 TYR A 127 19.669 0.425 -7.376 1.00 0.00 C ATOM 2030 CE1 TYR A 127 20.436 0.640 -4.735 1.00 0.00 C ATOM 2031 CE2 TYR A 127 20.905 -0.048 -6.979 1.00 0.00 C ATOM 2032 CZ TYR A 127 21.284 0.062 -5.657 1.00 0.00 C ATOM 2033 OH TYR A 127 22.514 -0.406 -5.257 1.00 0.00 O ATOM 0 H TYR A 127 18.409 3.130 -5.262 1.00 0.00 H new ATOM 0 HA TYR A 127 17.819 3.290 -8.074 1.00 0.00 H new ATOM 0 HB2 TYR A 127 16.698 1.239 -6.165 1.00 0.00 H new ATOM 0 HB3 TYR A 127 17.167 1.040 -7.842 1.00 0.00 H new ATOM 0 HD1 TYR A 127 18.541 1.560 -4.416 1.00 0.00 H new ATOM 0 HD2 TYR A 127 19.376 0.338 -8.412 1.00 0.00 H new ATOM 0 HE1 TYR A 127 20.736 0.725 -3.701 1.00 0.00 H new ATOM 0 HE2 TYR A 127 21.570 -0.501 -7.699 1.00 0.00 H new ATOM 0 HH TYR A 127 22.987 -0.784 -6.028 1.00 0.00 H new ATOM 2043 N TYR A 128 15.697 4.513 -6.196 1.00 0.00 N ATOM 2044 CA TYR A 128 14.357 5.068 -6.053 1.00 0.00 C ATOM 2045 C TYR A 128 13.995 5.935 -7.256 1.00 0.00 C ATOM 2046 O TYR A 128 14.680 6.911 -7.560 1.00 0.00 O ATOM 2047 CB TYR A 128 14.259 5.893 -4.768 1.00 0.00 C ATOM 2048 CG TYR A 128 12.918 6.566 -4.582 1.00 0.00 C ATOM 2049 CD1 TYR A 128 11.805 5.840 -4.176 1.00 0.00 C ATOM 2050 CD2 TYR A 128 12.764 7.928 -4.810 1.00 0.00 C ATOM 2051 CE1 TYR A 128 10.577 6.451 -4.005 1.00 0.00 C ATOM 2052 CE2 TYR A 128 11.541 8.547 -4.641 1.00 0.00 C ATOM 2053 CZ TYR A 128 10.451 7.805 -4.238 1.00 0.00 C ATOM 2054 OH TYR A 128 9.230 8.417 -4.068 1.00 0.00 O ATOM 0 H TYR A 128 16.398 4.941 -5.591 1.00 0.00 H new ATOM 0 HA TYR A 128 13.651 4.239 -6.000 1.00 0.00 H new ATOM 0 HB2 TYR A 128 14.452 5.244 -3.914 1.00 0.00 H new ATOM 0 HB3 TYR A 128 15.040 6.653 -4.774 1.00 0.00 H new ATOM 0 HD1 TYR A 128 11.901 4.780 -3.991 1.00 0.00 H new ATOM 0 HD2 TYR A 128 13.616 8.513 -5.125 1.00 0.00 H new ATOM 0 HE1 TYR A 128 9.721 5.872 -3.691 1.00 0.00 H new ATOM 0 HE2 TYR A 128 11.439 9.607 -4.824 1.00 0.00 H new ATOM 0 HH TYR A 128 9.312 9.372 -4.272 1.00 0.00 H new ATOM 2064 N ASP A 129 12.913 5.570 -7.934 1.00 0.00 N ATOM 2065 CA ASP A 129 12.457 6.314 -9.103 1.00 0.00 C ATOM 2066 C ASP A 129 11.589 7.498 -8.689 1.00 0.00 C ATOM 2067 O ASP A 129 10.417 7.334 -8.348 1.00 0.00 O ATOM 2068 CB ASP A 129 11.674 5.397 -10.044 1.00 0.00 C ATOM 2069 CG ASP A 129 11.607 5.940 -11.458 1.00 0.00 C ATOM 2070 OD1 ASP A 129 11.216 7.114 -11.624 1.00 0.00 O ATOM 2071 OD2 ASP A 129 11.944 5.190 -12.399 1.00 0.00 O ATOM 0 H ASP A 129 12.335 4.764 -7.695 1.00 0.00 H new ATOM 0 HA ASP A 129 13.335 6.695 -9.626 1.00 0.00 H new ATOM 0 HB2 ASP A 129 12.140 4.412 -10.058 1.00 0.00 H new ATOM 0 HB3 ASP A 129 10.662 5.265 -9.660 1.00 0.00 H new ATOM 2076 N LYS A 130 12.172 8.692 -8.720 1.00 0.00 N ATOM 2077 CA LYS A 130 11.454 9.905 -8.348 1.00 0.00 C ATOM 2078 C LYS A 130 10.840 10.571 -9.575 1.00 0.00 C ATOM 2079 O LYS A 130 9.963 11.425 -9.456 1.00 0.00 O ATOM 2080 CB LYS A 130 12.394 10.882 -7.640 1.00 0.00 C ATOM 2081 CG LYS A 130 13.411 11.527 -8.565 1.00 0.00 C ATOM 2082 CD LYS A 130 12.853 12.777 -9.224 1.00 0.00 C ATOM 2083 CE LYS A 130 13.950 13.786 -9.524 1.00 0.00 C ATOM 2084 NZ LYS A 130 14.232 14.662 -8.353 1.00 0.00 N ATOM 0 H LYS A 130 13.141 8.845 -8.999 1.00 0.00 H new ATOM 0 HA LYS A 130 10.650 9.627 -7.667 1.00 0.00 H new ATOM 0 HB2 LYS A 130 11.801 11.663 -7.165 1.00 0.00 H new ATOM 0 HB3 LYS A 130 12.922 10.354 -6.846 1.00 0.00 H new ATOM 0 HG2 LYS A 130 14.307 11.782 -8.000 1.00 0.00 H new ATOM 0 HG3 LYS A 130 13.710 10.813 -9.332 1.00 0.00 H new ATOM 0 HD2 LYS A 130 12.344 12.506 -10.149 1.00 0.00 H new ATOM 0 HD3 LYS A 130 12.108 13.232 -8.572 1.00 0.00 H new ATOM 0 HE2 LYS A 130 14.860 13.259 -9.811 1.00 0.00 H new ATOM 0 HE3 LYS A 130 13.656 14.400 -10.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 14.985 15.336 -8.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 13.371 15.184 -8.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 14.537 14.078 -7.548 1.00 0.00 H new ATOM 2098 N ASN A 131 11.308 10.175 -10.754 1.00 0.00 N ATOM 2099 CA ASN A 131 10.805 10.734 -12.004 1.00 0.00 C ATOM 2100 C ASN A 131 9.416 10.188 -12.323 1.00 0.00 C ATOM 2101 O ASN A 131 8.597 10.869 -12.940 1.00 0.00 O ATOM 2102 CB ASN A 131 11.765 10.418 -13.152 1.00 0.00 C ATOM 2103 CG ASN A 131 11.059 10.337 -14.491 1.00 0.00 C ATOM 2104 OD1 ASN A 131 10.951 11.331 -15.210 1.00 0.00 O ATOM 2105 ND2 ASN A 131 10.574 9.149 -14.833 1.00 0.00 N ATOM 0 H ASN A 131 12.035 9.469 -10.870 1.00 0.00 H new ATOM 0 HA ASN A 131 10.734 11.815 -11.887 1.00 0.00 H new ATOM 0 HB2 ASN A 131 12.537 11.186 -13.198 1.00 0.00 H new ATOM 0 HB3 ASN A 131 12.268 9.472 -12.952 1.00 0.00 H new ATOM 0 HD21 ASN A 131 10.089 9.033 -15.723 1.00 0.00 H new ATOM 0 HD22 ASN A 131 10.687 8.352 -14.206 1.00 0.00 H new ATOM 2112 N ALA A 132 9.159 8.956 -11.898 1.00 0.00 N ATOM 2113 CA ALA A 132 7.869 8.319 -12.136 1.00 0.00 C ATOM 2114 C ALA A 132 6.738 9.113 -11.491 1.00 0.00 C ATOM 2115 O ALA A 132 5.803 9.541 -12.168 1.00 0.00 O ATOM 2116 CB ALA A 132 7.880 6.891 -11.612 1.00 0.00 C ATOM 0 H ALA A 132 9.827 8.379 -11.387 1.00 0.00 H new ATOM 0 HA ALA A 132 7.695 8.297 -13.212 1.00 0.00 H new ATOM 0 HB1 ALA A 132 6.911 6.428 -11.797 1.00 0.00 H new ATOM 0 HB2 ALA A 132 8.657 6.322 -12.123 1.00 0.00 H new ATOM 0 HB3 ALA A 132 8.080 6.898 -10.541 1.00 0.00 H new ATOM 2122 N ILE A 133 6.829 9.305 -10.179 1.00 0.00 N ATOM 2123 CA ILE A 133 5.813 10.047 -9.444 1.00 0.00 C ATOM 2124 C ILE A 133 5.304 11.233 -10.256 1.00 0.00 C ATOM 2125 O ILE A 133 4.200 11.198 -10.800 1.00 0.00 O ATOM 2126 CB ILE A 133 6.354 10.558 -8.095 1.00 0.00 C ATOM 2127 CG1 ILE A 133 6.685 9.380 -7.176 1.00 0.00 C ATOM 2128 CG2 ILE A 133 5.344 11.485 -7.436 1.00 0.00 C ATOM 2129 CD1 ILE A 133 8.115 8.903 -7.296 1.00 0.00 C ATOM 0 H ILE A 133 7.596 8.957 -9.604 1.00 0.00 H new ATOM 0 HA ILE A 133 4.991 9.356 -9.258 1.00 0.00 H new ATOM 0 HB ILE A 133 7.269 11.122 -8.276 1.00 0.00 H new ATOM 0 HG12 ILE A 133 6.493 9.670 -6.143 1.00 0.00 H new ATOM 0 HG13 ILE A 133 6.014 8.552 -7.404 1.00 0.00 H new ATOM 0 HG21 ILE A 133 5.741 11.838 -6.484 1.00 0.00 H new ATOM 0 HG22 ILE A 133 5.153 12.338 -8.088 1.00 0.00 H new ATOM 0 HG23 ILE A 133 4.413 10.945 -7.263 1.00 0.00 H new ATOM 0 HD11 ILE A 133 8.278 8.067 -6.616 1.00 0.00 H new ATOM 0 HD12 ILE A 133 8.306 8.581 -8.320 1.00 0.00 H new ATOM 0 HD13 ILE A 133 8.793 9.717 -7.039 1.00 0.00 H new ATOM 2141 N ALA A 134 6.116 12.282 -10.334 1.00 0.00 N ATOM 2142 CA ALA A 134 5.749 13.478 -11.083 1.00 0.00 C ATOM 2143 C ALA A 134 4.278 13.824 -10.879 1.00 0.00 C ATOM 2144 O ALA A 134 3.659 14.468 -11.727 1.00 0.00 O ATOM 2145 CB ALA A 134 6.048 13.286 -12.563 1.00 0.00 C ATOM 0 H ALA A 134 7.032 12.328 -9.888 1.00 0.00 H new ATOM 0 HA ALA A 134 6.346 14.309 -10.708 1.00 0.00 H new ATOM 0 HB1 ALA A 134 5.769 14.186 -13.110 1.00 0.00 H new ATOM 0 HB2 ALA A 134 7.113 13.095 -12.697 1.00 0.00 H new ATOM 0 HB3 ALA A 134 5.477 12.439 -12.943 1.00 0.00 H new ATOM 2151 N ILE A 135 3.724 13.392 -9.751 1.00 0.00 N ATOM 2152 CA ILE A 135 2.326 13.657 -9.437 1.00 0.00 C ATOM 2153 C ILE A 135 2.086 15.146 -9.212 1.00 0.00 C ATOM 2154 O ILE A 135 3.028 15.937 -9.165 1.00 0.00 O ATOM 2155 CB ILE A 135 1.874 12.881 -8.186 1.00 0.00 C ATOM 2156 CG1 ILE A 135 2.725 13.277 -6.978 1.00 0.00 C ATOM 2157 CG2 ILE A 135 1.959 11.382 -8.432 1.00 0.00 C ATOM 2158 CD1 ILE A 135 2.177 14.464 -6.215 1.00 0.00 C ATOM 0 H ILE A 135 4.222 12.857 -9.040 1.00 0.00 H new ATOM 0 HA ILE A 135 1.741 13.323 -10.294 1.00 0.00 H new ATOM 0 HB ILE A 135 0.836 13.136 -7.975 1.00 0.00 H new ATOM 0 HG12 ILE A 135 2.801 12.425 -6.302 1.00 0.00 H new ATOM 0 HG13 ILE A 135 3.735 13.507 -7.316 1.00 0.00 H new ATOM 0 HG21 ILE A 135 1.636 10.848 -7.538 1.00 0.00 H new ATOM 0 HG22 ILE A 135 1.314 11.113 -9.268 1.00 0.00 H new ATOM 0 HG23 ILE A 135 2.988 11.109 -8.666 1.00 0.00 H new ATOM 0 HD11 ILE A 135 2.831 14.688 -5.372 1.00 0.00 H new ATOM 0 HD12 ILE A 135 2.127 15.330 -6.876 1.00 0.00 H new ATOM 0 HD13 ILE A 135 1.178 14.230 -5.847 1.00 0.00 H new ATOM 2170 N SER A 136 0.818 15.521 -9.073 1.00 0.00 N ATOM 2171 CA SER A 136 0.453 16.916 -8.855 1.00 0.00 C ATOM 2172 C SER A 136 -0.312 17.079 -7.545 1.00 0.00 C ATOM 2173 O SER A 136 -0.701 16.097 -6.914 1.00 0.00 O ATOM 2174 CB SER A 136 -0.393 17.432 -10.021 1.00 0.00 C ATOM 2175 OG SER A 136 -1.668 16.812 -10.039 1.00 0.00 O ATOM 0 H SER A 136 0.027 14.878 -9.107 1.00 0.00 H new ATOM 0 HA SER A 136 1.371 17.501 -8.795 1.00 0.00 H new ATOM 0 HB2 SER A 136 -0.512 18.512 -9.938 1.00 0.00 H new ATOM 0 HB3 SER A 136 0.122 17.239 -10.962 1.00 0.00 H new ATOM 0 HG SER A 136 -2.190 17.160 -10.792 1.00 0.00 H new ATOM 2181 N GLY A 137 -0.524 18.329 -7.143 1.00 0.00 N ATOM 2182 CA GLY A 137 -1.241 18.599 -5.910 1.00 0.00 C ATOM 2183 C GLY A 137 -2.360 17.608 -5.661 1.00 0.00 C ATOM 2184 O GLY A 137 -3.457 17.726 -6.208 1.00 0.00 O ATOM 0 H GLY A 137 -0.212 19.158 -7.649 1.00 0.00 H new ATOM 0 HA2 GLY A 137 -0.543 18.571 -5.074 1.00 0.00 H new ATOM 0 HA3 GLY A 137 -1.654 19.607 -5.947 1.00 0.00 H new ATOM 2188 N PRO A 138 -2.087 16.601 -4.818 1.00 0.00 N ATOM 2189 CA PRO A 138 -3.067 15.564 -4.479 1.00 0.00 C ATOM 2190 C PRO A 138 -4.207 16.102 -3.622 1.00 0.00 C ATOM 2191 O PRO A 138 -4.113 17.194 -3.062 1.00 0.00 O ATOM 2192 CB PRO A 138 -2.243 14.541 -3.693 1.00 0.00 C ATOM 2193 CG PRO A 138 -1.111 15.324 -3.123 1.00 0.00 C ATOM 2194 CD PRO A 138 -0.801 16.397 -4.130 1.00 0.00 C ATOM 0 HA PRO A 138 -3.549 15.153 -5.366 1.00 0.00 H new ATOM 0 HB2 PRO A 138 -2.837 14.074 -2.907 1.00 0.00 H new ATOM 0 HB3 PRO A 138 -1.884 13.740 -4.340 1.00 0.00 H new ATOM 0 HG2 PRO A 138 -1.382 15.758 -2.161 1.00 0.00 H new ATOM 0 HG3 PRO A 138 -0.243 14.687 -2.952 1.00 0.00 H new ATOM 0 HD2 PRO A 138 -0.453 17.311 -3.649 1.00 0.00 H new ATOM 0 HD3 PRO A 138 -0.020 16.084 -4.823 1.00 0.00 H new ATOM 2202 N SER A 139 -5.284 15.329 -3.524 1.00 0.00 N ATOM 2203 CA SER A 139 -6.444 15.730 -2.738 1.00 0.00 C ATOM 2204 C SER A 139 -6.095 15.806 -1.255 1.00 0.00 C ATOM 2205 O SER A 139 -5.613 14.837 -0.668 1.00 0.00 O ATOM 2206 CB SER A 139 -7.596 14.746 -2.952 1.00 0.00 C ATOM 2207 OG SER A 139 -7.271 13.462 -2.449 1.00 0.00 O ATOM 0 H SER A 139 -5.377 14.421 -3.980 1.00 0.00 H new ATOM 0 HA SER A 139 -6.754 16.720 -3.072 1.00 0.00 H new ATOM 0 HB2 SER A 139 -8.493 15.118 -2.456 1.00 0.00 H new ATOM 0 HB3 SER A 139 -7.826 14.676 -4.015 1.00 0.00 H new ATOM 0 HG SER A 139 -6.568 13.545 -1.771 1.00 0.00 H new ATOM 2213 N SER A 140 -6.342 16.966 -0.654 1.00 0.00 N ATOM 2214 CA SER A 140 -6.050 17.172 0.760 1.00 0.00 C ATOM 2215 C SER A 140 -7.083 18.097 1.398 1.00 0.00 C ATOM 2216 O SER A 140 -7.412 19.149 0.852 1.00 0.00 O ATOM 2217 CB SER A 140 -4.648 17.759 0.933 1.00 0.00 C ATOM 2218 OG SER A 140 -4.259 17.756 2.295 1.00 0.00 O ATOM 0 H SER A 140 -6.744 17.777 -1.124 1.00 0.00 H new ATOM 0 HA SER A 140 -6.095 16.204 1.260 1.00 0.00 H new ATOM 0 HB2 SER A 140 -3.934 17.182 0.346 1.00 0.00 H new ATOM 0 HB3 SER A 140 -4.627 18.778 0.548 1.00 0.00 H new ATOM 0 HG SER A 140 -3.359 18.134 2.379 1.00 0.00 H new ATOM 2224 N GLY A 141 -7.590 17.694 2.559 1.00 0.00 N ATOM 2225 CA GLY A 141 -8.580 18.497 3.254 1.00 0.00 C ATOM 2226 C GLY A 141 -9.297 17.720 4.341 1.00 0.00 C ATOM 2227 O GLY A 141 -10.393 18.115 4.735 1.00 0.00 O ATOM 0 H GLY A 141 -7.333 16.827 3.031 1.00 0.00 H new ATOM 0 HA2 GLY A 141 -8.093 19.367 3.694 1.00 0.00 H new ATOM 0 HA3 GLY A 141 -9.310 18.870 2.536 1.00 0.00 H new TER 2231 GLY A 141 HETATM 2232 ZN ZN A 401 12.181 -8.961 4.126 1.00 0.00 ZN