USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 854 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 96 THR OG1 : rot 180:sc= 0.0849 USER MOD Set 1.2: A 120 ASN : amide:sc= -0.904 K(o=-0.82,f=-2.4!) USER MOD Set 2.1: A 1 MET CE :methyl 176:sc= -2.8 (180deg=-3.15) USER MOD Set 2.2: A 21 MET CE :methyl 150:sc= -11.3! (180deg=-5.07!) USER MOD Set 2.3: A 41 GLN : amide:sc= -22.2! C(o=-38!,f=-42!) USER MOD Set 2.4: A 42 HIS : no HD1:sc= -2 K(o=-38,f=-37) USER MOD Single : A 1 MET N :NH3+ -123:sc= -4.72! (180deg=-6.31!) USER MOD Single : A 2 ASN : amide:sc= -6.84! C(o=-6.8!,f=-22!) USER MOD Single : A 4 THR OG1 : rot 169:sc= -1.78! USER MOD Single : A 7 LYS NZ :NH3+ -124:sc=-0.00584 (180deg=-0.962) USER MOD Single : A 8 ASN : amide:sc= 0.897 K(o=0.9,f=-0.42) USER MOD Single : A 9 THR OG1 : rot 85:sc= 0.883 USER MOD Single : A 12 SER OG : rot 180:sc= 0.13 USER MOD Single : A 16 THR OG1 : rot 83:sc= 1.02 USER MOD Single : A 20 ASN : amide:sc= -3.81! C(o=-3.8!,f=-9.9!) USER MOD Single : A 25 ASN : amide:sc= -1.08 K(o=-1.1,f=-0.098) USER MOD Single : A 29 MET CE :methyl 139:sc= -6.97! (180deg=-12.9!) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= -7.24! C(o=-7.2!,f=-12!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -1.35! C(o=-1.4!,f=-1.8!) USER MOD Single : A 67 SER OG : rot -170:sc= 0.601 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= -0.138 USER MOD Single : A 85 GLN : amide:sc= -2.9! C(o=-2.9!,f=-9.1!) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 THR OG1 : rot 180:sc= -1.96! USER MOD Single : A 98 SER OG : rot -177:sc= -2.42! USER MOD Single : A 100 LYS NZ :NH3+ 159:sc= -0.0185 (180deg=-0.801) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= -2.74! C(o=-2.7!,f=-9.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.064 3.791 -3.084 1.00 0.00 N ATOM 2 CA MET A 1 -5.502 5.172 -3.162 1.00 0.00 C ATOM 3 C MET A 1 -4.410 5.355 -2.091 1.00 0.00 C ATOM 4 O MET A 1 -3.463 4.596 -2.033 1.00 0.00 O ATOM 5 CB MET A 1 -6.696 6.100 -2.909 1.00 0.00 C ATOM 6 CG MET A 1 -7.417 5.674 -1.627 1.00 0.00 C ATOM 7 SD MET A 1 -9.208 5.735 -1.892 1.00 0.00 S ATOM 8 CE MET A 1 -9.382 4.121 -2.692 1.00 0.00 C ATOM 0 H1 MET A 1 -5.957 3.320 -4.005 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.555 3.249 -2.357 1.00 0.00 H new ATOM 0 H3 MET A 1 -7.073 3.840 -2.836 1.00 0.00 H new ATOM 0 HA MET A 1 -5.032 5.384 -4.123 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.355 7.132 -2.821 1.00 0.00 H new ATOM 0 HB3 MET A 1 -7.383 6.063 -3.754 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.115 4.665 -1.345 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.138 6.332 -0.804 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.437 3.920 -2.881 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.838 4.123 -3.637 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.976 3.347 -2.041 1.00 0.00 H new ATOM 20 N ASN A 2 -4.535 6.339 -1.235 1.00 0.00 N ATOM 21 CA ASN A 2 -3.504 6.538 -0.166 1.00 0.00 C ATOM 22 C ASN A 2 -3.757 5.505 0.966 1.00 0.00 C ATOM 23 O ASN A 2 -4.570 5.734 1.846 1.00 0.00 O ATOM 24 CB ASN A 2 -3.777 7.954 0.358 1.00 0.00 C ATOM 25 CG ASN A 2 -2.933 8.184 1.619 1.00 0.00 C ATOM 26 OD1 ASN A 2 -2.982 7.396 2.541 1.00 0.00 O ATOM 27 ND2 ASN A 2 -2.145 9.221 1.699 1.00 0.00 N ATOM 0 H ASN A 2 -5.302 7.011 -1.229 1.00 0.00 H new ATOM 0 HA ASN A 2 -2.481 6.414 -0.521 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.528 8.693 -0.403 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -4.836 8.075 0.585 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -1.575 9.365 2.533 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -2.099 9.887 0.928 1.00 0.00 H new ATOM 34 N LEU A 3 -3.095 4.360 0.940 1.00 0.00 N ATOM 35 CA LEU A 3 -3.349 3.327 2.022 1.00 0.00 C ATOM 36 C LEU A 3 -3.470 4.015 3.387 1.00 0.00 C ATOM 37 O LEU A 3 -4.299 3.658 4.189 1.00 0.00 O ATOM 38 CB LEU A 3 -2.125 2.367 2.030 1.00 0.00 C ATOM 39 CG LEU A 3 -2.519 0.883 1.775 1.00 0.00 C ATOM 40 CD1 LEU A 3 -3.948 0.581 2.244 1.00 0.00 C ATOM 41 CD2 LEU A 3 -2.396 0.545 0.280 1.00 0.00 C ATOM 0 H LEU A 3 -2.405 4.097 0.236 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.275 2.785 1.829 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.415 2.685 1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.616 2.443 2.991 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.831 0.266 2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.182 -0.465 2.047 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.029 0.776 3.313 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.650 1.217 1.705 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.675 -0.496 0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.059 1.192 -0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.367 0.700 -0.044 1.00 0.00 H new ATOM 53 N THR A 4 -2.643 4.985 3.667 1.00 0.00 N ATOM 54 CA THR A 4 -2.736 5.663 5.002 1.00 0.00 C ATOM 55 C THR A 4 -4.143 6.263 5.149 1.00 0.00 C ATOM 56 O THR A 4 -4.725 6.256 6.219 1.00 0.00 O ATOM 57 CB THR A 4 -1.635 6.755 5.005 1.00 0.00 C ATOM 58 OG1 THR A 4 -0.494 6.278 4.311 1.00 0.00 O ATOM 59 CG2 THR A 4 -1.247 7.104 6.437 1.00 0.00 C ATOM 0 H THR A 4 -1.916 5.337 3.044 1.00 0.00 H new ATOM 0 HA THR A 4 -2.584 4.983 5.840 1.00 0.00 H new ATOM 0 HB THR A 4 -2.019 7.648 4.512 1.00 0.00 H new ATOM 0 HG1 THR A 4 0.128 7.019 4.155 1.00 0.00 H new ATOM 0 HG21 THR A 4 -0.473 7.872 6.428 1.00 0.00 H new ATOM 0 HG22 THR A 4 -2.121 7.477 6.970 1.00 0.00 H new ATOM 0 HG23 THR A 4 -0.868 6.213 6.939 1.00 0.00 H new ATOM 67 N GLU A 5 -4.714 6.747 4.072 1.00 0.00 N ATOM 68 CA GLU A 5 -6.093 7.304 4.150 1.00 0.00 C ATOM 69 C GLU A 5 -7.088 6.142 4.276 1.00 0.00 C ATOM 70 O GLU A 5 -7.973 6.168 5.108 1.00 0.00 O ATOM 71 CB GLU A 5 -6.280 8.106 2.845 1.00 0.00 C ATOM 72 CG GLU A 5 -7.231 7.387 1.876 1.00 0.00 C ATOM 73 CD GLU A 5 -7.604 8.332 0.734 1.00 0.00 C ATOM 74 OE1 GLU A 5 -6.700 8.881 0.125 1.00 0.00 O ATOM 75 OE2 GLU A 5 -8.788 8.494 0.488 1.00 0.00 O ATOM 0 H GLU A 5 -4.283 6.779 3.148 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.258 7.950 5.012 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -6.675 9.095 3.078 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.313 8.254 2.365 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.754 6.491 1.480 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -8.129 7.064 2.403 1.00 0.00 H new ATOM 82 N LEU A 6 -6.938 5.101 3.483 1.00 0.00 N ATOM 83 CA LEU A 6 -7.850 3.957 3.605 1.00 0.00 C ATOM 84 C LEU A 6 -7.914 3.517 5.072 1.00 0.00 C ATOM 85 O LEU A 6 -8.979 3.370 5.636 1.00 0.00 O ATOM 86 CB LEU A 6 -7.165 2.942 2.718 1.00 0.00 C ATOM 87 CG LEU A 6 -7.293 3.413 1.271 1.00 0.00 C ATOM 88 CD1 LEU A 6 -6.572 2.441 0.340 1.00 0.00 C ATOM 89 CD2 LEU A 6 -8.775 3.482 0.899 1.00 0.00 C ATOM 0 H LEU A 6 -6.220 5.012 2.764 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.886 4.137 3.317 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.115 2.842 2.994 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.622 1.960 2.840 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.841 4.399 1.167 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -6.668 2.785 -0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.517 2.394 0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.015 1.450 0.435 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.876 3.818 -0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -9.223 2.494 1.005 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -9.284 4.184 1.560 1.00 0.00 H new ATOM 101 N LYS A 7 -6.782 3.331 5.706 1.00 0.00 N ATOM 102 CA LYS A 7 -6.812 2.930 7.155 1.00 0.00 C ATOM 103 C LYS A 7 -7.391 4.066 8.005 1.00 0.00 C ATOM 104 O LYS A 7 -8.137 3.837 8.936 1.00 0.00 O ATOM 105 CB LYS A 7 -5.350 2.649 7.556 1.00 0.00 C ATOM 106 CG LYS A 7 -5.178 1.154 7.840 1.00 0.00 C ATOM 107 CD LYS A 7 -5.625 0.342 6.621 1.00 0.00 C ATOM 108 CE LYS A 7 -5.364 -1.144 6.875 1.00 0.00 C ATOM 109 NZ LYS A 7 -6.453 -1.574 7.797 1.00 0.00 N ATOM 0 H LYS A 7 -5.854 3.436 5.297 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.439 2.053 7.313 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.676 2.958 6.757 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.085 3.231 8.439 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.136 0.936 8.072 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -5.765 0.870 8.713 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.685 0.508 6.429 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.084 0.671 5.733 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -5.386 -1.713 5.946 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.383 -1.302 7.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.038 -1.992 8.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.031 -0.750 8.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.051 -2.280 7.322 1.00 0.00 H new ATOM 123 N ASN A 8 -7.045 5.284 7.701 1.00 0.00 N ATOM 124 CA ASN A 8 -7.574 6.436 8.517 1.00 0.00 C ATOM 125 C ASN A 8 -9.097 6.539 8.409 1.00 0.00 C ATOM 126 O ASN A 8 -9.767 7.015 9.303 1.00 0.00 O ATOM 127 CB ASN A 8 -6.920 7.712 7.947 1.00 0.00 C ATOM 128 CG ASN A 8 -5.655 8.043 8.742 1.00 0.00 C ATOM 129 OD1 ASN A 8 -5.636 8.983 9.511 1.00 0.00 O ATOM 130 ND2 ASN A 8 -4.588 7.310 8.587 1.00 0.00 N ATOM 0 H ASN A 8 -6.426 5.541 6.933 1.00 0.00 H new ATOM 0 HA ASN A 8 -7.337 6.296 9.572 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -6.673 7.567 6.895 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -7.621 8.545 7.997 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -3.740 7.526 9.111 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -4.601 6.520 7.942 1.00 0.00 H new ATOM 137 N THR A 9 -9.635 6.101 7.324 1.00 0.00 N ATOM 138 CA THR A 9 -11.127 6.171 7.136 1.00 0.00 C ATOM 139 C THR A 9 -11.808 5.101 8.012 1.00 0.00 C ATOM 140 O THR A 9 -11.446 3.944 7.921 1.00 0.00 O ATOM 141 CB THR A 9 -11.380 5.852 5.650 1.00 0.00 C ATOM 142 OG1 THR A 9 -10.385 6.478 4.853 1.00 0.00 O ATOM 143 CG2 THR A 9 -12.766 6.357 5.228 1.00 0.00 C ATOM 0 H THR A 9 -9.120 5.692 6.544 1.00 0.00 H new ATOM 0 HA THR A 9 -11.524 7.147 7.415 1.00 0.00 H new ATOM 0 HB THR A 9 -11.337 4.772 5.508 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.593 5.903 4.807 1.00 0.00 H new ATOM 0 HG21 THR A 9 -12.933 6.126 4.176 1.00 0.00 H new ATOM 0 HG22 THR A 9 -13.531 5.869 5.833 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.821 7.436 5.375 1.00 0.00 H new ATOM 151 N PRO A 10 -12.772 5.478 8.837 1.00 0.00 N ATOM 152 CA PRO A 10 -13.445 4.456 9.690 1.00 0.00 C ATOM 153 C PRO A 10 -14.153 3.373 8.808 1.00 0.00 C ATOM 154 O PRO A 10 -14.562 3.650 7.697 1.00 0.00 O ATOM 155 CB PRO A 10 -14.463 5.293 10.504 1.00 0.00 C ATOM 156 CG PRO A 10 -14.674 6.484 9.655 1.00 0.00 C ATOM 157 CD PRO A 10 -13.336 6.819 9.086 1.00 0.00 C ATOM 0 HA PRO A 10 -12.758 3.899 10.327 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -15.392 4.747 10.671 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -14.071 5.562 11.485 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -15.395 6.278 8.864 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -15.070 7.315 10.238 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.416 7.406 8.171 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -12.728 7.396 9.783 1.00 0.00 H new ATOM 165 N VAL A 11 -14.279 2.132 9.287 1.00 0.00 N ATOM 166 CA VAL A 11 -14.941 1.067 8.420 1.00 0.00 C ATOM 167 C VAL A 11 -16.193 1.658 7.748 1.00 0.00 C ATOM 168 O VAL A 11 -16.364 1.550 6.561 1.00 0.00 O ATOM 169 CB VAL A 11 -15.347 -0.159 9.323 1.00 0.00 C ATOM 170 CG1 VAL A 11 -16.710 0.048 9.987 1.00 0.00 C ATOM 171 CG2 VAL A 11 -15.451 -1.416 8.455 1.00 0.00 C ATOM 0 H VAL A 11 -13.965 1.820 10.206 1.00 0.00 H new ATOM 0 HA VAL A 11 -14.245 0.734 7.650 1.00 0.00 H new ATOM 0 HB VAL A 11 -14.582 -0.260 10.093 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -16.952 -0.820 10.600 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -16.677 0.938 10.615 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -17.473 0.174 9.219 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -15.732 -2.266 9.077 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -16.207 -1.265 7.685 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -14.488 -1.614 7.984 1.00 0.00 H new ATOM 181 N SER A 12 -17.062 2.276 8.510 1.00 0.00 N ATOM 182 CA SER A 12 -18.306 2.875 7.934 1.00 0.00 C ATOM 183 C SER A 12 -17.973 3.871 6.826 1.00 0.00 C ATOM 184 O SER A 12 -18.637 3.916 5.813 1.00 0.00 O ATOM 185 CB SER A 12 -18.979 3.574 9.110 1.00 0.00 C ATOM 186 OG SER A 12 -18.685 2.864 10.306 1.00 0.00 O ATOM 0 H SER A 12 -16.961 2.392 9.518 1.00 0.00 H new ATOM 0 HA SER A 12 -18.950 2.123 7.478 1.00 0.00 H new ATOM 0 HB2 SER A 12 -18.626 4.602 9.187 1.00 0.00 H new ATOM 0 HB3 SER A 12 -20.057 3.617 8.954 1.00 0.00 H new ATOM 0 HG SER A 12 -19.114 3.311 11.065 1.00 0.00 H new ATOM 192 N GLU A 13 -16.948 4.663 6.990 1.00 0.00 N ATOM 193 CA GLU A 13 -16.622 5.615 5.898 1.00 0.00 C ATOM 194 C GLU A 13 -16.105 4.800 4.708 1.00 0.00 C ATOM 195 O GLU A 13 -16.315 5.158 3.569 1.00 0.00 O ATOM 196 CB GLU A 13 -15.549 6.558 6.460 1.00 0.00 C ATOM 197 CG GLU A 13 -16.212 7.700 7.250 1.00 0.00 C ATOM 198 CD GLU A 13 -17.486 7.205 7.949 1.00 0.00 C ATOM 199 OE1 GLU A 13 -17.380 6.729 9.069 1.00 0.00 O ATOM 200 OE2 GLU A 13 -18.544 7.311 7.351 1.00 0.00 O ATOM 0 H GLU A 13 -16.340 4.692 7.808 1.00 0.00 H new ATOM 0 HA GLU A 13 -17.477 6.200 5.558 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.869 6.004 7.107 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.951 6.968 5.646 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.513 8.091 7.990 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -16.456 8.522 6.576 1.00 0.00 H new ATOM 207 N LEU A 14 -15.485 3.666 4.962 1.00 0.00 N ATOM 208 CA LEU A 14 -15.030 2.810 3.831 1.00 0.00 C ATOM 209 C LEU A 14 -16.267 2.228 3.116 1.00 0.00 C ATOM 210 O LEU A 14 -16.335 2.227 1.906 1.00 0.00 O ATOM 211 CB LEU A 14 -14.209 1.694 4.498 1.00 0.00 C ATOM 212 CG LEU A 14 -12.688 1.985 4.480 1.00 0.00 C ATOM 213 CD1 LEU A 14 -12.380 3.411 4.012 1.00 0.00 C ATOM 214 CD2 LEU A 14 -12.125 1.804 5.892 1.00 0.00 C ATOM 0 H LEU A 14 -15.280 3.306 5.894 1.00 0.00 H new ATOM 0 HA LEU A 14 -14.445 3.349 3.086 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -14.540 1.571 5.529 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -14.401 0.751 3.987 1.00 0.00 H new ATOM 0 HG LEU A 14 -12.227 1.289 3.779 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -11.302 3.570 4.015 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -12.765 3.554 3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -12.854 4.125 4.685 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -11.054 2.008 5.886 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -12.622 2.495 6.573 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -12.298 0.780 6.224 1.00 0.00 H new ATOM 226 N ILE A 15 -17.262 1.739 3.849 1.00 0.00 N ATOM 227 CA ILE A 15 -18.458 1.197 3.135 1.00 0.00 C ATOM 228 C ILE A 15 -19.164 2.344 2.409 1.00 0.00 C ATOM 229 O ILE A 15 -19.655 2.163 1.325 1.00 0.00 O ATOM 230 CB ILE A 15 -19.409 0.524 4.153 1.00 0.00 C ATOM 231 CG1 ILE A 15 -18.840 -0.836 4.566 1.00 0.00 C ATOM 232 CG2 ILE A 15 -20.748 0.324 3.480 1.00 0.00 C ATOM 233 CD1 ILE A 15 -18.378 -0.777 6.022 1.00 0.00 C ATOM 0 H ILE A 15 -17.289 1.697 4.868 1.00 0.00 H new ATOM 0 HA ILE A 15 -18.153 0.448 2.404 1.00 0.00 H new ATOM 0 HB ILE A 15 -19.516 1.148 5.041 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -19.597 -1.610 4.445 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -18.004 -1.104 3.919 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -21.439 -0.150 4.178 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -21.149 1.290 3.173 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -20.623 -0.312 2.604 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -17.973 -1.746 6.315 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -17.607 -0.014 6.128 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -19.224 -0.529 6.663 1.00 0.00 H new ATOM 245 N THR A 16 -19.223 3.533 2.977 1.00 0.00 N ATOM 246 CA THR A 16 -19.893 4.635 2.243 1.00 0.00 C ATOM 247 C THR A 16 -19.076 4.967 0.970 1.00 0.00 C ATOM 248 O THR A 16 -19.634 5.207 -0.086 1.00 0.00 O ATOM 249 CB THR A 16 -19.973 5.825 3.229 1.00 0.00 C ATOM 250 OG1 THR A 16 -20.581 5.387 4.434 1.00 0.00 O ATOM 251 CG2 THR A 16 -20.820 6.949 2.619 1.00 0.00 C ATOM 0 H THR A 16 -18.844 3.773 3.893 1.00 0.00 H new ATOM 0 HA THR A 16 -20.897 4.374 1.908 1.00 0.00 H new ATOM 0 HB THR A 16 -18.969 6.198 3.430 1.00 0.00 H new ATOM 0 HG1 THR A 16 -19.908 4.960 5.004 1.00 0.00 H new ATOM 0 HG21 THR A 16 -20.873 7.784 3.317 1.00 0.00 H new ATOM 0 HG22 THR A 16 -20.364 7.283 1.687 1.00 0.00 H new ATOM 0 HG23 THR A 16 -21.826 6.579 2.419 1.00 0.00 H new ATOM 259 N LEU A 17 -17.751 4.940 1.050 1.00 0.00 N ATOM 260 CA LEU A 17 -16.932 5.224 -0.166 1.00 0.00 C ATOM 261 C LEU A 17 -17.176 4.113 -1.196 1.00 0.00 C ATOM 262 O LEU A 17 -17.270 4.370 -2.380 1.00 0.00 O ATOM 263 CB LEU A 17 -15.471 5.236 0.313 1.00 0.00 C ATOM 264 CG LEU A 17 -15.204 6.498 1.139 1.00 0.00 C ATOM 265 CD1 LEU A 17 -14.309 6.153 2.331 1.00 0.00 C ATOM 266 CD2 LEU A 17 -14.494 7.537 0.269 1.00 0.00 C ATOM 0 H LEU A 17 -17.220 4.736 1.897 1.00 0.00 H new ATOM 0 HA LEU A 17 -17.186 6.172 -0.641 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -15.268 4.349 0.913 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -14.798 5.202 -0.544 1.00 0.00 H new ATOM 0 HG LEU A 17 -16.153 6.899 1.496 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -14.121 7.053 2.917 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -14.805 5.410 2.956 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -13.363 5.750 1.971 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -14.304 8.435 0.857 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -13.548 7.129 -0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -15.124 7.788 -0.584 1.00 0.00 H new ATOM 278 N GLY A 18 -17.310 2.879 -0.758 1.00 0.00 N ATOM 279 CA GLY A 18 -17.586 1.777 -1.757 1.00 0.00 C ATOM 280 C GLY A 18 -18.995 1.991 -2.344 1.00 0.00 C ATOM 281 O GLY A 18 -19.188 1.883 -3.539 1.00 0.00 O ATOM 0 H GLY A 18 -17.244 2.587 0.217 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -16.839 1.789 -2.551 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -17.521 0.802 -1.273 1.00 0.00 H new ATOM 285 N GLU A 19 -19.987 2.315 -1.531 1.00 0.00 N ATOM 286 CA GLU A 19 -21.345 2.546 -2.100 1.00 0.00 C ATOM 287 C GLU A 19 -21.246 3.677 -3.129 1.00 0.00 C ATOM 288 O GLU A 19 -21.863 3.619 -4.173 1.00 0.00 O ATOM 289 CB GLU A 19 -22.263 2.887 -0.894 1.00 0.00 C ATOM 290 CG GLU A 19 -22.226 4.380 -0.545 1.00 0.00 C ATOM 291 CD GLU A 19 -23.615 4.988 -0.749 1.00 0.00 C ATOM 292 OE1 GLU A 19 -24.575 4.397 -0.282 1.00 0.00 O ATOM 293 OE2 GLU A 19 -23.696 6.035 -1.370 1.00 0.00 O ATOM 0 H GLU A 19 -19.908 2.425 -0.520 1.00 0.00 H new ATOM 0 HA GLU A 19 -21.759 1.684 -2.623 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -23.287 2.594 -1.125 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -21.953 2.305 -0.027 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -21.907 4.515 0.489 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -21.497 4.893 -1.173 1.00 0.00 H new ATOM 300 N ASN A 20 -20.459 4.700 -2.870 1.00 0.00 N ATOM 301 CA ASN A 20 -20.348 5.780 -3.895 1.00 0.00 C ATOM 302 C ASN A 20 -19.767 5.192 -5.193 1.00 0.00 C ATOM 303 O ASN A 20 -20.009 5.688 -6.276 1.00 0.00 O ATOM 304 CB ASN A 20 -19.404 6.892 -3.351 1.00 0.00 C ATOM 305 CG ASN A 20 -19.851 7.351 -1.955 1.00 0.00 C ATOM 306 OD1 ASN A 20 -19.110 7.230 -1.001 1.00 0.00 O ATOM 307 ND2 ASN A 20 -21.029 7.907 -1.798 1.00 0.00 N ATOM 0 H ASN A 20 -19.908 4.828 -2.021 1.00 0.00 H new ATOM 0 HA ASN A 20 -21.331 6.203 -4.103 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -18.381 6.517 -3.306 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -19.402 7.741 -4.035 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -21.319 8.236 -0.877 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -21.655 8.011 -2.597 1.00 0.00 H new ATOM 314 N MET A 21 -18.983 4.147 -5.082 1.00 0.00 N ATOM 315 CA MET A 21 -18.356 3.524 -6.289 1.00 0.00 C ATOM 316 C MET A 21 -19.088 2.232 -6.703 1.00 0.00 C ATOM 317 O MET A 21 -18.608 1.501 -7.545 1.00 0.00 O ATOM 318 CB MET A 21 -16.914 3.197 -5.859 1.00 0.00 C ATOM 319 CG MET A 21 -16.330 4.381 -5.076 1.00 0.00 C ATOM 320 SD MET A 21 -15.565 5.542 -6.228 1.00 0.00 S ATOM 321 CE MET A 21 -14.266 4.428 -6.800 1.00 0.00 C ATOM 0 H MET A 21 -18.749 3.695 -4.198 1.00 0.00 H new ATOM 0 HA MET A 21 -18.401 4.191 -7.150 1.00 0.00 H new ATOM 0 HB2 MET A 21 -16.903 2.299 -5.242 1.00 0.00 H new ATOM 0 HB3 MET A 21 -16.300 2.989 -6.736 1.00 0.00 H new ATOM 0 HG2 MET A 21 -17.116 4.879 -4.508 1.00 0.00 H new ATOM 0 HG3 MET A 21 -15.592 4.027 -4.356 1.00 0.00 H new ATOM 0 HE1 MET A 21 -14.005 4.672 -7.830 1.00 0.00 H new ATOM 0 HE2 MET A 21 -13.386 4.539 -6.166 1.00 0.00 H new ATOM 0 HE3 MET A 21 -14.621 3.399 -6.750 1.00 0.00 H new ATOM 331 N GLY A 22 -20.244 1.935 -6.147 1.00 0.00 N ATOM 332 CA GLY A 22 -20.947 0.678 -6.579 1.00 0.00 C ATOM 333 C GLY A 22 -20.788 -0.463 -5.545 1.00 0.00 C ATOM 334 O GLY A 22 -21.540 -1.418 -5.570 1.00 0.00 O ATOM 0 H GLY A 22 -20.719 2.489 -5.435 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -22.006 0.888 -6.726 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -20.550 0.353 -7.541 1.00 0.00 H new ATOM 338 N LEU A 23 -19.831 -0.398 -4.645 1.00 0.00 N ATOM 339 CA LEU A 23 -19.679 -1.520 -3.649 1.00 0.00 C ATOM 340 C LEU A 23 -20.728 -1.384 -2.536 1.00 0.00 C ATOM 341 O LEU A 23 -20.533 -0.681 -1.567 1.00 0.00 O ATOM 342 CB LEU A 23 -18.262 -1.386 -3.050 1.00 0.00 C ATOM 343 CG LEU A 23 -17.238 -1.482 -4.183 1.00 0.00 C ATOM 344 CD1 LEU A 23 -16.948 -0.083 -4.715 1.00 0.00 C ATOM 345 CD2 LEU A 23 -15.938 -2.111 -3.674 1.00 0.00 C ATOM 0 H LEU A 23 -19.160 0.365 -4.554 1.00 0.00 H new ATOM 0 HA LEU A 23 -19.820 -2.490 -4.126 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -18.161 -0.434 -2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -18.087 -2.172 -2.315 1.00 0.00 H new ATOM 0 HG LEU A 23 -17.644 -2.107 -4.978 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -16.219 -0.145 -5.523 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -17.869 0.361 -5.091 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -16.548 0.536 -3.912 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -15.219 -2.173 -4.491 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -15.526 -1.497 -2.874 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -16.142 -3.112 -3.294 1.00 0.00 H new ATOM 357 N GLU A 24 -21.837 -2.058 -2.669 1.00 0.00 N ATOM 358 CA GLU A 24 -22.895 -1.989 -1.626 1.00 0.00 C ATOM 359 C GLU A 24 -22.870 -3.275 -0.795 1.00 0.00 C ATOM 360 O GLU A 24 -22.235 -4.249 -1.149 1.00 0.00 O ATOM 361 CB GLU A 24 -24.221 -1.879 -2.406 1.00 0.00 C ATOM 362 CG GLU A 24 -24.202 -0.598 -3.273 1.00 0.00 C ATOM 363 CD GLU A 24 -25.448 -0.570 -4.162 1.00 0.00 C ATOM 364 OE1 GLU A 24 -25.618 -1.493 -4.940 1.00 0.00 O ATOM 365 OE2 GLU A 24 -26.211 0.377 -4.049 1.00 0.00 O ATOM 0 H GLU A 24 -22.056 -2.659 -3.464 1.00 0.00 H new ATOM 0 HA GLU A 24 -22.759 -1.151 -0.943 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -24.358 -2.757 -3.037 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -25.062 -1.850 -1.713 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -24.176 0.286 -2.636 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -23.302 -0.574 -3.888 1.00 0.00 H new ATOM 372 N ASN A 25 -23.573 -3.284 0.294 1.00 0.00 N ATOM 373 CA ASN A 25 -23.624 -4.515 1.163 1.00 0.00 C ATOM 374 C ASN A 25 -22.274 -4.788 1.855 1.00 0.00 C ATOM 375 O ASN A 25 -22.011 -5.889 2.298 1.00 0.00 O ATOM 376 CB ASN A 25 -23.960 -5.664 0.197 1.00 0.00 C ATOM 377 CG ASN A 25 -25.033 -6.555 0.826 1.00 0.00 C ATOM 378 OD1 ASN A 25 -25.786 -7.206 0.128 1.00 0.00 O ATOM 379 ND2 ASN A 25 -25.135 -6.614 2.127 1.00 0.00 N ATOM 0 H ASN A 25 -24.122 -2.495 0.634 1.00 0.00 H new ATOM 0 HA ASN A 25 -24.356 -4.401 1.963 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -24.314 -5.264 -0.753 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -23.065 -6.248 -0.017 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -25.846 -7.206 2.556 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -24.504 -6.068 2.713 1.00 0.00 H new ATOM 386 N LEU A 26 -21.419 -3.807 1.954 1.00 0.00 N ATOM 387 CA LEU A 26 -20.090 -4.031 2.623 1.00 0.00 C ATOM 388 C LEU A 26 -20.234 -4.080 4.155 1.00 0.00 C ATOM 389 O LEU A 26 -19.322 -4.485 4.847 1.00 0.00 O ATOM 390 CB LEU A 26 -19.178 -2.861 2.227 1.00 0.00 C ATOM 391 CG LEU A 26 -18.554 -3.160 0.853 1.00 0.00 C ATOM 392 CD1 LEU A 26 -18.965 -2.089 -0.155 1.00 0.00 C ATOM 393 CD2 LEU A 26 -17.025 -3.180 0.959 1.00 0.00 C ATOM 0 H LEU A 26 -21.575 -2.862 1.605 1.00 0.00 H new ATOM 0 HA LEU A 26 -19.674 -4.987 2.305 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -19.750 -1.934 2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -18.396 -2.722 2.974 1.00 0.00 H new ATOM 0 HG LEU A 26 -18.910 -4.135 0.519 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -18.518 -2.311 -1.124 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -20.051 -2.077 -0.251 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -18.620 -1.114 0.189 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -16.595 -3.393 -0.020 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -16.672 -2.209 1.307 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -16.719 -3.952 1.665 1.00 0.00 H new ATOM 405 N ALA A 27 -21.353 -3.669 4.703 1.00 0.00 N ATOM 406 CA ALA A 27 -21.494 -3.707 6.188 1.00 0.00 C ATOM 407 C ALA A 27 -21.023 -5.060 6.697 1.00 0.00 C ATOM 408 O ALA A 27 -20.439 -5.175 7.757 1.00 0.00 O ATOM 409 CB ALA A 27 -22.988 -3.502 6.478 1.00 0.00 C ATOM 0 H ALA A 27 -22.162 -3.314 4.193 1.00 0.00 H new ATOM 0 HA ALA A 27 -20.898 -2.940 6.683 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -23.155 -3.520 7.555 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -23.308 -2.540 6.077 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -23.563 -4.300 6.008 1.00 0.00 H new ATOM 415 N ARG A 28 -21.273 -6.084 5.945 1.00 0.00 N ATOM 416 CA ARG A 28 -20.839 -7.442 6.374 1.00 0.00 C ATOM 417 C ARG A 28 -19.347 -7.685 6.055 1.00 0.00 C ATOM 418 O ARG A 28 -18.831 -8.761 6.283 1.00 0.00 O ATOM 419 CB ARG A 28 -21.715 -8.397 5.566 1.00 0.00 C ATOM 420 CG ARG A 28 -23.147 -8.340 6.097 1.00 0.00 C ATOM 421 CD ARG A 28 -24.085 -9.017 5.097 1.00 0.00 C ATOM 422 NE ARG A 28 -25.155 -9.631 5.931 1.00 0.00 N ATOM 423 CZ ARG A 28 -25.437 -10.898 5.802 1.00 0.00 C ATOM 424 NH1 ARG A 28 -24.493 -11.753 5.522 1.00 0.00 N ATOM 425 NH2 ARG A 28 -26.664 -11.312 5.956 1.00 0.00 N ATOM 0 H ARG A 28 -21.760 -6.045 5.049 1.00 0.00 H new ATOM 0 HA ARG A 28 -20.945 -7.578 7.450 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -21.695 -8.123 4.511 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -21.328 -9.413 5.639 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -23.208 -8.838 7.065 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -23.449 -7.304 6.252 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -24.498 -8.296 4.392 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -23.560 -9.771 4.510 1.00 0.00 H new ATOM 0 HE ARG A 28 -25.668 -9.061 6.603 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -23.532 -11.431 5.404 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -24.715 -12.743 5.422 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -27.403 -10.645 6.177 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -26.884 -12.303 5.855 1.00 0.00 H new ATOM 439 N MET A 29 -18.654 -6.706 5.520 1.00 0.00 N ATOM 440 CA MET A 29 -17.233 -6.882 5.181 1.00 0.00 C ATOM 441 C MET A 29 -16.328 -6.260 6.250 1.00 0.00 C ATOM 442 O MET A 29 -16.686 -5.293 6.892 1.00 0.00 O ATOM 443 CB MET A 29 -17.089 -6.128 3.876 1.00 0.00 C ATOM 444 CG MET A 29 -17.823 -6.912 2.800 1.00 0.00 C ATOM 445 SD MET A 29 -16.960 -6.743 1.225 1.00 0.00 S ATOM 446 CE MET A 29 -15.337 -7.195 1.865 1.00 0.00 C ATOM 0 H MET A 29 -19.033 -5.783 5.306 1.00 0.00 H new ATOM 0 HA MET A 29 -16.946 -7.931 5.113 1.00 0.00 H new ATOM 0 HB2 MET A 29 -17.505 -5.124 3.967 1.00 0.00 H new ATOM 0 HB3 MET A 29 -16.037 -6.015 3.615 1.00 0.00 H new ATOM 0 HG2 MET A 29 -17.884 -7.963 3.081 1.00 0.00 H new ATOM 0 HG3 MET A 29 -18.846 -6.548 2.706 1.00 0.00 H new ATOM 0 HE1 MET A 29 -14.831 -7.842 1.149 1.00 0.00 H new ATOM 0 HE2 MET A 29 -14.744 -6.294 2.023 1.00 0.00 H new ATOM 0 HE3 MET A 29 -15.453 -7.723 2.812 1.00 0.00 H new ATOM 456 N ARG A 30 -15.156 -6.795 6.432 1.00 0.00 N ATOM 457 CA ARG A 30 -14.219 -6.224 7.444 1.00 0.00 C ATOM 458 C ARG A 30 -13.339 -5.133 6.814 1.00 0.00 C ATOM 459 O ARG A 30 -12.907 -5.239 5.691 1.00 0.00 O ATOM 460 CB ARG A 30 -13.362 -7.401 7.913 1.00 0.00 C ATOM 461 CG ARG A 30 -12.690 -7.039 9.241 1.00 0.00 C ATOM 462 CD ARG A 30 -12.225 -8.314 9.950 1.00 0.00 C ATOM 463 NE ARG A 30 -10.774 -8.422 9.627 1.00 0.00 N ATOM 464 CZ ARG A 30 -9.895 -7.764 10.333 1.00 0.00 C ATOM 465 NH1 ARG A 30 -10.232 -6.658 10.938 1.00 0.00 N ATOM 466 NH2 ARG A 30 -8.675 -8.214 10.434 1.00 0.00 N ATOM 0 H ARG A 30 -14.802 -7.606 5.924 1.00 0.00 H new ATOM 0 HA ARG A 30 -14.754 -5.756 8.271 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -13.980 -8.290 8.035 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -12.607 -7.638 7.163 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -11.840 -6.381 9.062 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -13.388 -6.493 9.876 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -12.387 -8.250 11.026 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -12.775 -9.186 9.596 1.00 0.00 H new ATOM 0 HE ARG A 30 -10.467 -9.011 8.853 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.186 -6.304 10.860 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.542 -6.147 11.489 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.409 -9.078 9.962 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -7.986 -7.702 10.985 1.00 0.00 H new ATOM 480 N LYS A 31 -13.070 -4.100 7.568 1.00 0.00 N ATOM 481 CA LYS A 31 -12.212 -2.978 7.083 1.00 0.00 C ATOM 482 C LYS A 31 -11.133 -3.460 6.099 1.00 0.00 C ATOM 483 O LYS A 31 -10.909 -2.844 5.088 1.00 0.00 O ATOM 484 CB LYS A 31 -11.551 -2.446 8.354 1.00 0.00 C ATOM 485 CG LYS A 31 -11.116 -0.996 8.143 1.00 0.00 C ATOM 486 CD LYS A 31 -9.882 -0.706 8.999 1.00 0.00 C ATOM 487 CE LYS A 31 -9.560 0.789 8.942 1.00 0.00 C ATOM 488 NZ LYS A 31 -10.204 1.366 10.155 1.00 0.00 N ATOM 0 H LYS A 31 -13.416 -3.984 8.520 1.00 0.00 H new ATOM 0 HA LYS A 31 -12.795 -2.231 6.545 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -12.247 -2.508 9.190 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -10.688 -3.061 8.611 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.891 -0.822 7.091 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.926 -0.319 8.412 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -10.062 -1.011 10.030 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.032 -1.286 8.639 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.484 0.962 8.946 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -9.952 1.243 8.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.028 2.390 10.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.229 1.192 10.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.806 0.919 11.005 1.00 0.00 H new ATOM 502 N GLN A 32 -10.440 -4.532 6.414 1.00 0.00 N ATOM 503 CA GLN A 32 -9.324 -5.014 5.501 1.00 0.00 C ATOM 504 C GLN A 32 -9.845 -5.398 4.100 1.00 0.00 C ATOM 505 O GLN A 32 -9.361 -4.905 3.100 1.00 0.00 O ATOM 506 CB GLN A 32 -8.606 -6.217 6.228 1.00 0.00 C ATOM 507 CG GLN A 32 -9.518 -7.477 6.405 1.00 0.00 C ATOM 508 CD GLN A 32 -9.522 -8.282 5.101 1.00 0.00 C ATOM 509 OE1 GLN A 32 -8.988 -7.843 4.102 1.00 0.00 O ATOM 510 NE2 GLN A 32 -10.098 -9.454 5.068 1.00 0.00 N ATOM 0 H GLN A 32 -10.589 -5.095 7.251 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.610 -4.210 5.323 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.720 -6.498 5.659 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -8.264 -5.886 7.209 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -9.152 -8.093 7.226 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -10.533 -7.173 6.662 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -10.547 -9.825 5.905 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -10.099 -9.998 4.205 1.00 0.00 H new ATOM 519 N ASP A 33 -10.814 -6.252 4.014 1.00 0.00 N ATOM 520 CA ASP A 33 -11.361 -6.651 2.700 1.00 0.00 C ATOM 521 C ASP A 33 -12.054 -5.445 2.063 1.00 0.00 C ATOM 522 O ASP A 33 -11.949 -5.236 0.871 1.00 0.00 O ATOM 523 CB ASP A 33 -12.337 -7.778 3.021 1.00 0.00 C ATOM 524 CG ASP A 33 -13.306 -7.333 4.120 1.00 0.00 C ATOM 525 OD1 ASP A 33 -14.000 -6.354 3.911 1.00 0.00 O ATOM 526 OD2 ASP A 33 -13.336 -7.981 5.152 1.00 0.00 O ATOM 0 H ASP A 33 -11.259 -6.699 4.815 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.607 -6.984 1.987 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -12.893 -8.056 2.125 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.790 -8.664 3.344 1.00 0.00 H new ATOM 531 N ILE A 34 -12.731 -4.610 2.829 1.00 0.00 N ATOM 532 CA ILE A 34 -13.347 -3.429 2.195 1.00 0.00 C ATOM 533 C ILE A 34 -12.216 -2.574 1.573 1.00 0.00 C ATOM 534 O ILE A 34 -12.367 -2.080 0.474 1.00 0.00 O ATOM 535 CB ILE A 34 -14.075 -2.692 3.327 1.00 0.00 C ATOM 536 CG1 ILE A 34 -15.398 -3.406 3.626 1.00 0.00 C ATOM 537 CG2 ILE A 34 -14.373 -1.262 2.894 1.00 0.00 C ATOM 538 CD1 ILE A 34 -15.651 -3.443 5.138 1.00 0.00 C ATOM 0 H ILE A 34 -12.872 -4.704 3.835 1.00 0.00 H new ATOM 0 HA ILE A 34 -14.049 -3.671 1.397 1.00 0.00 H new ATOM 0 HB ILE A 34 -13.446 -2.684 4.217 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -16.218 -2.892 3.125 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -15.369 -4.421 3.230 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -14.890 -0.739 3.698 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -13.439 -0.748 2.668 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -15.004 -1.275 2.005 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -16.594 -3.953 5.337 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -14.839 -3.978 5.630 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -15.701 -2.425 5.524 1.00 0.00 H new ATOM 550 N ILE A 35 -11.058 -2.424 2.221 1.00 0.00 N ATOM 551 CA ILE A 35 -9.966 -1.627 1.548 1.00 0.00 C ATOM 552 C ILE A 35 -9.643 -2.255 0.204 1.00 0.00 C ATOM 553 O ILE A 35 -9.534 -1.592 -0.801 1.00 0.00 O ATOM 554 CB ILE A 35 -8.692 -1.715 2.385 1.00 0.00 C ATOM 555 CG1 ILE A 35 -9.023 -1.713 3.879 1.00 0.00 C ATOM 556 CG2 ILE A 35 -7.798 -0.529 2.021 1.00 0.00 C ATOM 557 CD1 ILE A 35 -7.944 -0.967 4.666 1.00 0.00 C ATOM 0 H ILE A 35 -10.836 -2.802 3.142 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.301 -0.596 1.436 1.00 0.00 H new ATOM 0 HB ILE A 35 -8.171 -2.648 2.172 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.992 -1.241 4.042 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.102 -2.738 4.241 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.880 -0.571 2.608 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.552 -0.571 0.960 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.323 0.402 2.235 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.196 -0.976 5.726 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.981 -1.457 4.518 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.885 0.063 4.315 1.00 0.00 H new ATOM 569 N PHE A 36 -9.472 -3.549 0.202 1.00 0.00 N ATOM 570 CA PHE A 36 -9.139 -4.241 -1.075 1.00 0.00 C ATOM 571 C PHE A 36 -10.189 -3.852 -2.130 1.00 0.00 C ATOM 572 O PHE A 36 -9.857 -3.578 -3.267 1.00 0.00 O ATOM 573 CB PHE A 36 -9.163 -5.735 -0.751 1.00 0.00 C ATOM 574 CG PHE A 36 -7.843 -6.143 -0.129 1.00 0.00 C ATOM 575 CD1 PHE A 36 -7.139 -5.251 0.690 1.00 0.00 C ATOM 576 CD2 PHE A 36 -7.318 -7.419 -0.381 1.00 0.00 C ATOM 577 CE1 PHE A 36 -5.917 -5.633 1.257 1.00 0.00 C ATOM 578 CE2 PHE A 36 -6.096 -7.799 0.184 1.00 0.00 C ATOM 579 CZ PHE A 36 -5.396 -6.907 1.003 1.00 0.00 C ATOM 0 H PHE A 36 -9.548 -4.152 1.021 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.165 -3.966 -1.480 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -9.982 -5.956 -0.067 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.342 -6.311 -1.659 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.539 -4.267 0.884 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -7.858 -8.109 -1.012 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.377 -4.945 1.890 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.693 -8.782 -0.012 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.453 -7.201 1.440 1.00 0.00 H new ATOM 589 N ALA A 37 -11.451 -3.787 -1.758 1.00 0.00 N ATOM 590 CA ALA A 37 -12.495 -3.370 -2.749 1.00 0.00 C ATOM 591 C ALA A 37 -12.342 -1.871 -3.075 1.00 0.00 C ATOM 592 O ALA A 37 -12.254 -1.510 -4.222 1.00 0.00 O ATOM 593 CB ALA A 37 -13.843 -3.652 -2.075 1.00 0.00 C ATOM 0 H ALA A 37 -11.797 -4.002 -0.823 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.407 -3.911 -3.691 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -14.652 -3.369 -2.748 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -13.919 -4.714 -1.843 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.917 -3.074 -1.154 1.00 0.00 H new ATOM 599 N ILE A 38 -12.311 -0.978 -2.091 1.00 0.00 N ATOM 600 CA ILE A 38 -12.166 0.458 -2.470 1.00 0.00 C ATOM 601 C ILE A 38 -10.940 0.651 -3.370 1.00 0.00 C ATOM 602 O ILE A 38 -10.916 1.538 -4.196 1.00 0.00 O ATOM 603 CB ILE A 38 -12.055 1.311 -1.204 1.00 0.00 C ATOM 604 CG1 ILE A 38 -12.635 0.585 0.023 1.00 0.00 C ATOM 605 CG2 ILE A 38 -12.853 2.578 -1.472 1.00 0.00 C ATOM 606 CD1 ILE A 38 -13.062 1.599 1.088 1.00 0.00 C ATOM 0 H ILE A 38 -12.377 -1.180 -1.093 1.00 0.00 H new ATOM 0 HA ILE A 38 -13.045 0.775 -3.031 1.00 0.00 H new ATOM 0 HB ILE A 38 -11.009 1.522 -0.983 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -13.490 -0.021 -0.275 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -11.891 -0.096 0.437 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -12.809 3.228 -0.598 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -12.432 3.098 -2.332 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -13.891 2.317 -1.678 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -13.470 1.071 1.950 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -12.198 2.187 1.398 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -13.822 2.262 0.675 1.00 0.00 H new ATOM 618 N LEU A 39 -9.929 -0.172 -3.252 1.00 0.00 N ATOM 619 CA LEU A 39 -8.743 -0.003 -4.158 1.00 0.00 C ATOM 620 C LEU A 39 -9.113 -0.450 -5.588 1.00 0.00 C ATOM 621 O LEU A 39 -8.808 0.223 -6.554 1.00 0.00 O ATOM 622 CB LEU A 39 -7.632 -0.887 -3.574 1.00 0.00 C ATOM 623 CG LEU A 39 -7.265 -0.385 -2.174 1.00 0.00 C ATOM 624 CD1 LEU A 39 -6.410 -1.433 -1.456 1.00 0.00 C ATOM 625 CD2 LEU A 39 -6.468 0.914 -2.296 1.00 0.00 C ATOM 0 H LEU A 39 -9.869 -0.940 -2.583 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.418 1.036 -4.219 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -7.965 -1.924 -3.525 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.756 -0.864 -4.222 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.177 -0.209 -1.604 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.151 -1.072 -0.461 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.971 -2.363 -1.370 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.498 -1.611 -2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.205 1.274 -1.301 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.558 0.730 -2.868 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.072 1.665 -2.806 1.00 0.00 H new ATOM 637 N LYS A 40 -9.787 -1.566 -5.727 1.00 0.00 N ATOM 638 CA LYS A 40 -10.203 -2.057 -7.077 1.00 0.00 C ATOM 639 C LYS A 40 -11.191 -1.079 -7.723 1.00 0.00 C ATOM 640 O LYS A 40 -11.123 -0.807 -8.905 1.00 0.00 O ATOM 641 CB LYS A 40 -10.902 -3.387 -6.799 1.00 0.00 C ATOM 642 CG LYS A 40 -10.043 -4.536 -7.326 1.00 0.00 C ATOM 643 CD LYS A 40 -10.048 -4.519 -8.856 1.00 0.00 C ATOM 644 CE LYS A 40 -9.015 -5.519 -9.379 1.00 0.00 C ATOM 645 NZ LYS A 40 -9.144 -5.467 -10.862 1.00 0.00 N ATOM 0 H LYS A 40 -10.070 -2.165 -4.951 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.357 -2.155 -7.758 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.069 -3.505 -5.728 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -11.881 -3.402 -7.278 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.023 -4.441 -6.954 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -10.428 -5.488 -6.961 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.039 -4.774 -9.230 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.818 -3.518 -9.220 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -8.008 -5.249 -9.061 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.210 -6.522 -9.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.466 -6.127 -11.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.111 -5.735 -11.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.946 -4.502 -11.194 1.00 0.00 H new ATOM 659 N GLN A 41 -12.123 -0.561 -6.963 1.00 0.00 N ATOM 660 CA GLN A 41 -13.120 0.380 -7.554 1.00 0.00 C ATOM 661 C GLN A 41 -12.500 1.759 -7.816 1.00 0.00 C ATOM 662 O GLN A 41 -12.672 2.323 -8.878 1.00 0.00 O ATOM 663 CB GLN A 41 -14.249 0.465 -6.528 1.00 0.00 C ATOM 664 CG GLN A 41 -13.683 0.673 -5.125 1.00 0.00 C ATOM 665 CD GLN A 41 -14.221 1.974 -4.525 1.00 0.00 C ATOM 666 OE1 GLN A 41 -15.306 2.000 -3.981 1.00 0.00 O ATOM 667 NE2 GLN A 41 -13.490 3.054 -4.573 1.00 0.00 N ATOM 0 H GLN A 41 -12.236 -0.748 -5.967 1.00 0.00 H new ATOM 0 HA GLN A 41 -13.479 0.030 -8.522 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -14.918 1.287 -6.782 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -14.842 -0.449 -6.555 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -13.953 -0.169 -4.488 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -12.594 0.706 -5.165 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -12.578 3.033 -5.030 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -13.830 3.919 -4.154 1.00 0.00 H new ATOM 676 N HIS A 42 -11.775 2.313 -6.879 1.00 0.00 N ATOM 677 CA HIS A 42 -11.160 3.661 -7.144 1.00 0.00 C ATOM 678 C HIS A 42 -10.112 3.522 -8.262 1.00 0.00 C ATOM 679 O HIS A 42 -9.955 4.403 -9.082 1.00 0.00 O ATOM 680 CB HIS A 42 -10.526 4.132 -5.816 1.00 0.00 C ATOM 681 CG HIS A 42 -11.023 5.512 -5.487 1.00 0.00 C ATOM 682 ND1 HIS A 42 -10.447 6.648 -6.028 1.00 0.00 N ATOM 683 CD2 HIS A 42 -12.031 5.959 -4.667 1.00 0.00 C ATOM 684 CE1 HIS A 42 -11.101 7.711 -5.533 1.00 0.00 C ATOM 685 NE2 HIS A 42 -12.077 7.348 -4.697 1.00 0.00 N ATOM 0 H HIS A 42 -11.582 1.909 -5.963 1.00 0.00 H new ATOM 0 HA HIS A 42 -11.895 4.394 -7.477 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -10.781 3.441 -5.013 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -9.439 4.135 -5.900 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -12.688 5.327 -4.087 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -10.866 8.736 -5.781 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -12.718 7.958 -4.190 1.00 0.00 H new ATOM 693 N ALA A 43 -9.417 2.409 -8.324 1.00 0.00 N ATOM 694 CA ALA A 43 -8.420 2.212 -9.408 1.00 0.00 C ATOM 695 C ALA A 43 -9.153 2.103 -10.742 1.00 0.00 C ATOM 696 O ALA A 43 -8.692 2.599 -11.746 1.00 0.00 O ATOM 697 CB ALA A 43 -7.694 0.907 -9.088 1.00 0.00 C ATOM 0 H ALA A 43 -9.502 1.633 -7.667 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.714 3.040 -9.476 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.945 0.710 -9.855 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.206 0.991 -8.117 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.412 0.088 -9.063 1.00 0.00 H new ATOM 703 N LYS A 44 -10.306 1.478 -10.770 1.00 0.00 N ATOM 704 CA LYS A 44 -11.057 1.392 -12.045 1.00 0.00 C ATOM 705 C LYS A 44 -11.110 2.765 -12.678 1.00 0.00 C ATOM 706 O LYS A 44 -10.912 2.936 -13.865 1.00 0.00 O ATOM 707 CB LYS A 44 -12.447 0.991 -11.623 1.00 0.00 C ATOM 708 CG LYS A 44 -12.910 -0.227 -12.427 1.00 0.00 C ATOM 709 CD LYS A 44 -11.995 -1.418 -12.131 1.00 0.00 C ATOM 710 CE LYS A 44 -11.895 -2.307 -13.372 1.00 0.00 C ATOM 711 NZ LYS A 44 -13.022 -3.270 -13.244 1.00 0.00 N ATOM 0 H LYS A 44 -10.750 1.030 -9.968 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.611 0.700 -12.759 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.460 0.760 -10.558 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.136 1.821 -11.777 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.940 -0.474 -12.170 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.893 0.001 -13.493 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.005 -1.066 -11.842 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.387 -1.991 -11.291 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.979 -1.720 -14.287 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.936 -2.824 -13.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.021 -3.916 -14.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.912 -3.819 -12.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.922 -2.749 -13.215 1.00 0.00 H new ATOM 725 N SER A 45 -11.375 3.749 -11.875 1.00 0.00 N ATOM 726 CA SER A 45 -11.441 5.135 -12.409 1.00 0.00 C ATOM 727 C SER A 45 -10.052 5.562 -12.874 1.00 0.00 C ATOM 728 O SER A 45 -9.880 6.572 -13.527 1.00 0.00 O ATOM 729 CB SER A 45 -11.882 5.999 -11.239 1.00 0.00 C ATOM 730 OG SER A 45 -13.179 5.599 -10.814 1.00 0.00 O ATOM 0 H SER A 45 -11.549 3.657 -10.874 1.00 0.00 H new ATOM 0 HA SER A 45 -12.123 5.221 -13.255 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.173 5.904 -10.416 1.00 0.00 H new ATOM 0 HB3 SER A 45 -11.892 7.049 -11.532 1.00 0.00 H new ATOM 0 HG SER A 45 -13.462 6.155 -10.059 1.00 0.00 H new ATOM 736 N GLY A 46 -9.064 4.781 -12.555 1.00 0.00 N ATOM 737 CA GLY A 46 -7.673 5.107 -12.988 1.00 0.00 C ATOM 738 C GLY A 46 -7.196 6.409 -12.333 1.00 0.00 C ATOM 739 O GLY A 46 -6.472 7.176 -12.937 1.00 0.00 O ATOM 0 H GLY A 46 -9.156 3.924 -12.009 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -7.002 4.291 -12.719 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -7.637 5.205 -14.073 1.00 0.00 H new ATOM 743 N GLU A 47 -7.569 6.676 -11.103 1.00 0.00 N ATOM 744 CA GLU A 47 -7.090 7.931 -10.465 1.00 0.00 C ATOM 745 C GLU A 47 -5.798 7.632 -9.691 1.00 0.00 C ATOM 746 O GLU A 47 -5.438 6.489 -9.490 1.00 0.00 O ATOM 747 CB GLU A 47 -8.251 8.392 -9.561 1.00 0.00 C ATOM 748 CG GLU A 47 -7.905 8.240 -8.073 1.00 0.00 C ATOM 749 CD GLU A 47 -7.043 9.424 -7.631 1.00 0.00 C ATOM 750 OE1 GLU A 47 -6.724 10.247 -8.473 1.00 0.00 O ATOM 751 OE2 GLU A 47 -6.719 9.488 -6.456 1.00 0.00 O ATOM 0 H GLU A 47 -8.173 6.089 -10.528 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.840 8.722 -11.172 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.488 9.434 -9.775 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.143 7.809 -9.789 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.817 8.198 -7.478 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -7.371 7.304 -7.906 1.00 0.00 H new ATOM 758 N ASP A 48 -5.086 8.642 -9.286 1.00 0.00 N ATOM 759 CA ASP A 48 -3.806 8.408 -8.563 1.00 0.00 C ATOM 760 C ASP A 48 -4.052 7.643 -7.250 1.00 0.00 C ATOM 761 O ASP A 48 -4.970 7.944 -6.515 1.00 0.00 O ATOM 762 CB ASP A 48 -3.249 9.808 -8.260 1.00 0.00 C ATOM 763 CG ASP A 48 -2.350 10.258 -9.412 1.00 0.00 C ATOM 764 OD1 ASP A 48 -2.296 9.552 -10.405 1.00 0.00 O ATOM 765 OD2 ASP A 48 -1.728 11.300 -9.281 1.00 0.00 O ATOM 0 H ASP A 48 -5.334 9.622 -9.424 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.116 7.808 -9.156 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.067 10.515 -8.125 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.684 9.793 -7.328 1.00 0.00 H new ATOM 770 N ILE A 49 -3.229 6.670 -6.939 1.00 0.00 N ATOM 771 CA ILE A 49 -3.406 5.910 -5.665 1.00 0.00 C ATOM 772 C ILE A 49 -2.029 5.625 -5.086 1.00 0.00 C ATOM 773 O ILE A 49 -1.130 5.255 -5.815 1.00 0.00 O ATOM 774 CB ILE A 49 -4.076 4.591 -6.069 1.00 0.00 C ATOM 775 CG1 ILE A 49 -3.103 3.800 -6.958 1.00 0.00 C ATOM 776 CG2 ILE A 49 -5.370 4.867 -6.838 1.00 0.00 C ATOM 777 CD1 ILE A 49 -3.850 2.727 -7.763 1.00 0.00 C ATOM 0 H ILE A 49 -2.442 6.370 -7.514 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.996 6.452 -4.926 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.321 4.016 -5.176 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.590 4.480 -7.638 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.338 3.330 -6.340 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -5.835 3.922 -7.119 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.054 5.435 -6.207 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.144 5.441 -7.737 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.142 2.180 -8.385 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -4.342 2.036 -7.079 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.598 3.203 -8.398 1.00 0.00 H new ATOM 789 N PHE A 50 -1.799 5.807 -3.809 1.00 0.00 N ATOM 790 CA PHE A 50 -0.420 5.536 -3.354 1.00 0.00 C ATOM 791 C PHE A 50 -0.287 4.933 -1.952 1.00 0.00 C ATOM 792 O PHE A 50 -1.199 4.942 -1.149 1.00 0.00 O ATOM 793 CB PHE A 50 0.288 6.896 -3.495 1.00 0.00 C ATOM 794 CG PHE A 50 -0.523 7.972 -2.854 1.00 0.00 C ATOM 795 CD1 PHE A 50 -1.672 8.441 -3.482 1.00 0.00 C ATOM 796 CD2 PHE A 50 -0.114 8.501 -1.632 1.00 0.00 C ATOM 797 CE1 PHE A 50 -2.430 9.450 -2.884 1.00 0.00 C ATOM 798 CE2 PHE A 50 -0.866 9.510 -1.025 1.00 0.00 C ATOM 799 CZ PHE A 50 -2.028 9.987 -1.651 1.00 0.00 C ATOM 0 H PHE A 50 -2.469 6.114 -3.104 1.00 0.00 H new ATOM 0 HA PHE A 50 0.032 4.749 -3.957 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.274 6.850 -3.032 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.441 7.126 -4.549 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.978 8.025 -4.431 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.782 8.132 -1.155 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -3.323 9.816 -3.369 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -0.554 9.922 -0.077 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.612 10.766 -1.185 1.00 0.00 H new ATOM 809 N GLY A 51 0.887 4.378 -1.686 1.00 0.00 N ATOM 810 CA GLY A 51 1.141 3.730 -0.352 1.00 0.00 C ATOM 811 C GLY A 51 2.335 4.439 0.323 1.00 0.00 C ATOM 812 O GLY A 51 2.992 5.260 -0.294 1.00 0.00 O ATOM 0 H GLY A 51 1.673 4.349 -2.335 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.254 3.801 0.278 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.356 2.669 -0.482 1.00 0.00 H new ATOM 816 N ASP A 52 2.624 4.162 1.592 1.00 0.00 N ATOM 817 CA ASP A 52 3.756 4.877 2.235 1.00 0.00 C ATOM 818 C ASP A 52 4.084 4.260 3.593 1.00 0.00 C ATOM 819 O ASP A 52 3.312 3.496 4.138 1.00 0.00 O ATOM 820 CB ASP A 52 3.216 6.308 2.448 1.00 0.00 C ATOM 821 CG ASP A 52 2.005 6.242 3.380 1.00 0.00 C ATOM 822 OD1 ASP A 52 1.578 5.141 3.689 1.00 0.00 O ATOM 823 OD2 ASP A 52 1.528 7.294 3.773 1.00 0.00 O ATOM 0 H ASP A 52 2.131 3.490 2.179 1.00 0.00 H new ATOM 0 HA ASP A 52 4.664 4.835 1.634 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.990 6.944 2.879 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.934 6.751 1.493 1.00 0.00 H new ATOM 828 N GLY A 53 5.207 4.613 4.167 1.00 0.00 N ATOM 829 CA GLY A 53 5.523 4.050 5.529 1.00 0.00 C ATOM 830 C GLY A 53 7.028 3.777 5.690 1.00 0.00 C ATOM 831 O GLY A 53 7.860 4.557 5.270 1.00 0.00 O ATOM 0 H GLY A 53 5.903 5.246 3.773 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.195 4.749 6.298 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.966 3.125 5.680 1.00 0.00 H new ATOM 835 N VAL A 54 7.382 2.664 6.309 1.00 0.00 N ATOM 836 CA VAL A 54 8.812 2.337 6.506 1.00 0.00 C ATOM 837 C VAL A 54 9.053 0.922 5.977 1.00 0.00 C ATOM 838 O VAL A 54 8.406 -0.020 6.387 1.00 0.00 O ATOM 839 CB VAL A 54 9.041 2.429 8.017 1.00 0.00 C ATOM 840 CG1 VAL A 54 10.533 2.581 8.293 1.00 0.00 C ATOM 841 CG2 VAL A 54 8.311 3.653 8.564 1.00 0.00 C ATOM 0 H VAL A 54 6.728 1.976 6.682 1.00 0.00 H new ATOM 0 HA VAL A 54 9.495 3.004 5.980 1.00 0.00 H new ATOM 0 HB VAL A 54 8.665 1.526 8.497 1.00 0.00 H new ATOM 0 HG11 VAL A 54 10.699 2.647 9.368 1.00 0.00 H new ATOM 0 HG12 VAL A 54 11.066 1.718 7.896 1.00 0.00 H new ATOM 0 HG13 VAL A 54 10.901 3.488 7.813 1.00 0.00 H new ATOM 0 HG21 VAL A 54 8.472 3.722 9.640 1.00 0.00 H new ATOM 0 HG22 VAL A 54 8.695 4.552 8.081 1.00 0.00 H new ATOM 0 HG23 VAL A 54 7.244 3.561 8.362 1.00 0.00 H new ATOM 851 N LEU A 55 9.924 0.773 5.004 1.00 0.00 N ATOM 852 CA LEU A 55 10.116 -0.587 4.397 1.00 0.00 C ATOM 853 C LEU A 55 10.654 -1.646 5.388 1.00 0.00 C ATOM 854 O LEU A 55 11.211 -1.336 6.421 1.00 0.00 O ATOM 855 CB LEU A 55 11.132 -0.429 3.267 1.00 0.00 C ATOM 856 CG LEU A 55 10.400 -0.304 1.931 1.00 0.00 C ATOM 857 CD1 LEU A 55 11.438 -0.248 0.826 1.00 0.00 C ATOM 858 CD2 LEU A 55 9.491 -1.522 1.702 1.00 0.00 C ATOM 0 H LEU A 55 10.500 1.517 4.610 1.00 0.00 H new ATOM 0 HA LEU A 55 9.142 -0.944 4.061 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.748 0.454 3.439 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.804 -1.287 3.246 1.00 0.00 H new ATOM 0 HG LEU A 55 9.785 0.596 1.935 1.00 0.00 H new ATOM 0 HD11 LEU A 55 10.938 -0.159 -0.139 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.087 0.614 0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 55 12.036 -1.159 0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.977 -1.418 0.747 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.094 -2.430 1.692 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.756 -1.584 2.505 1.00 0.00 H new ATOM 870 N GLU A 56 10.509 -2.903 5.022 1.00 0.00 N ATOM 871 CA GLU A 56 11.010 -4.053 5.839 1.00 0.00 C ATOM 872 C GLU A 56 11.623 -5.094 4.854 1.00 0.00 C ATOM 873 O GLU A 56 10.916 -5.575 3.982 1.00 0.00 O ATOM 874 CB GLU A 56 9.756 -4.629 6.497 1.00 0.00 C ATOM 875 CG GLU A 56 10.061 -4.983 7.954 1.00 0.00 C ATOM 876 CD GLU A 56 8.972 -4.405 8.858 1.00 0.00 C ATOM 877 OE1 GLU A 56 7.981 -3.930 8.330 1.00 0.00 O ATOM 878 OE2 GLU A 56 9.147 -4.449 10.065 1.00 0.00 O ATOM 0 H GLU A 56 10.046 -3.184 4.158 1.00 0.00 H new ATOM 0 HA GLU A 56 11.763 -3.780 6.578 1.00 0.00 H new ATOM 0 HB2 GLU A 56 8.943 -3.905 6.450 1.00 0.00 H new ATOM 0 HB3 GLU A 56 9.424 -5.516 5.958 1.00 0.00 H new ATOM 0 HG2 GLU A 56 10.111 -6.065 8.074 1.00 0.00 H new ATOM 0 HG3 GLU A 56 11.035 -4.585 8.240 1.00 0.00 H new ATOM 885 N ILE A 57 12.910 -5.451 4.937 1.00 0.00 N ATOM 886 CA ILE A 57 13.438 -6.441 3.941 1.00 0.00 C ATOM 887 C ILE A 57 13.004 -7.861 4.359 1.00 0.00 C ATOM 888 O ILE A 57 12.645 -8.081 5.498 1.00 0.00 O ATOM 889 CB ILE A 57 14.994 -6.346 3.911 1.00 0.00 C ATOM 890 CG1 ILE A 57 15.434 -4.864 3.965 1.00 0.00 C ATOM 891 CG2 ILE A 57 15.536 -7.002 2.621 1.00 0.00 C ATOM 892 CD1 ILE A 57 15.673 -4.303 2.551 1.00 0.00 C ATOM 0 H ILE A 57 13.580 -5.108 5.626 1.00 0.00 H new ATOM 0 HA ILE A 57 13.043 -6.224 2.949 1.00 0.00 H new ATOM 0 HB ILE A 57 15.397 -6.871 4.777 1.00 0.00 H new ATOM 0 HG12 ILE A 57 14.670 -4.273 4.469 1.00 0.00 H new ATOM 0 HG13 ILE A 57 16.347 -4.774 4.554 1.00 0.00 H new ATOM 0 HG21 ILE A 57 16.624 -6.932 2.607 1.00 0.00 H new ATOM 0 HG22 ILE A 57 15.239 -8.051 2.594 1.00 0.00 H new ATOM 0 HG23 ILE A 57 15.128 -6.487 1.752 1.00 0.00 H new ATOM 0 HD11 ILE A 57 15.981 -3.260 2.621 1.00 0.00 H new ATOM 0 HD12 ILE A 57 16.455 -4.880 2.058 1.00 0.00 H new ATOM 0 HD13 ILE A 57 14.752 -4.371 1.972 1.00 0.00 H new ATOM 904 N LEU A 58 13.040 -8.834 3.475 1.00 0.00 N ATOM 905 CA LEU A 58 12.636 -10.213 3.888 1.00 0.00 C ATOM 906 C LEU A 58 13.690 -11.219 3.429 1.00 0.00 C ATOM 907 O LEU A 58 14.046 -11.257 2.268 1.00 0.00 O ATOM 908 CB LEU A 58 11.299 -10.485 3.197 1.00 0.00 C ATOM 909 CG LEU A 58 10.169 -9.929 4.076 1.00 0.00 C ATOM 910 CD1 LEU A 58 9.734 -8.558 3.560 1.00 0.00 C ATOM 911 CD2 LEU A 58 8.972 -10.880 4.050 1.00 0.00 C ATOM 0 H LEU A 58 13.327 -8.733 2.502 1.00 0.00 H new ATOM 0 HA LEU A 58 12.546 -10.303 4.970 1.00 0.00 H new ATOM 0 HB2 LEU A 58 11.279 -10.015 2.214 1.00 0.00 H new ATOM 0 HB3 LEU A 58 11.165 -11.555 3.041 1.00 0.00 H new ATOM 0 HG LEU A 58 10.535 -9.833 5.098 1.00 0.00 H new ATOM 0 HD11 LEU A 58 8.932 -8.170 4.189 1.00 0.00 H new ATOM 0 HD12 LEU A 58 10.581 -7.873 3.589 1.00 0.00 H new ATOM 0 HD13 LEU A 58 9.378 -8.652 2.534 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.175 -10.479 4.676 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.612 -10.984 3.026 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.274 -11.856 4.429 1.00 0.00 H new ATOM 923 N GLN A 59 14.197 -12.015 4.339 1.00 0.00 N ATOM 924 CA GLN A 59 15.251 -13.029 3.971 1.00 0.00 C ATOM 925 C GLN A 59 15.013 -13.525 2.552 1.00 0.00 C ATOM 926 O GLN A 59 15.930 -13.785 1.798 1.00 0.00 O ATOM 927 CB GLN A 59 15.125 -14.225 4.938 1.00 0.00 C ATOM 928 CG GLN A 59 14.426 -13.838 6.243 1.00 0.00 C ATOM 929 CD GLN A 59 15.237 -12.753 6.958 1.00 0.00 C ATOM 930 OE1 GLN A 59 16.450 -12.803 6.983 1.00 0.00 O ATOM 931 NE2 GLN A 59 14.613 -11.767 7.542 1.00 0.00 N ATOM 0 H GLN A 59 13.930 -12.011 5.323 1.00 0.00 H new ATOM 0 HA GLN A 59 16.240 -12.576 4.036 1.00 0.00 H new ATOM 0 HB2 GLN A 59 14.568 -15.026 4.452 1.00 0.00 H new ATOM 0 HB3 GLN A 59 16.117 -14.617 5.161 1.00 0.00 H new ATOM 0 HG2 GLN A 59 13.419 -13.476 6.035 1.00 0.00 H new ATOM 0 HG3 GLN A 59 14.323 -14.712 6.886 1.00 0.00 H new ATOM 0 HE21 GLN A 59 13.594 -11.725 7.521 1.00 0.00 H new ATOM 0 HE22 GLN A 59 15.144 -11.039 8.019 1.00 0.00 H new ATOM 940 N ASP A 60 13.774 -13.669 2.201 1.00 0.00 N ATOM 941 CA ASP A 60 13.430 -14.170 0.830 1.00 0.00 C ATOM 942 C ASP A 60 13.951 -13.245 -0.282 1.00 0.00 C ATOM 943 O ASP A 60 13.879 -13.581 -1.447 1.00 0.00 O ATOM 944 CB ASP A 60 11.903 -14.242 0.799 1.00 0.00 C ATOM 945 CG ASP A 60 11.396 -14.957 2.052 1.00 0.00 C ATOM 946 OD1 ASP A 60 12.222 -15.439 2.812 1.00 0.00 O ATOM 947 OD2 ASP A 60 10.191 -15.013 2.232 1.00 0.00 O ATOM 0 H ASP A 60 12.974 -13.463 2.799 1.00 0.00 H new ATOM 0 HA ASP A 60 13.898 -15.137 0.644 1.00 0.00 H new ATOM 0 HB2 ASP A 60 11.483 -13.238 0.746 1.00 0.00 H new ATOM 0 HB3 ASP A 60 11.572 -14.773 -0.094 1.00 0.00 H new ATOM 952 N GLY A 61 14.500 -12.109 0.045 1.00 0.00 N ATOM 953 CA GLY A 61 15.045 -11.220 -1.057 1.00 0.00 C ATOM 954 C GLY A 61 13.973 -10.250 -1.599 1.00 0.00 C ATOM 955 O GLY A 61 14.187 -9.592 -2.599 1.00 0.00 O ATOM 0 H GLY A 61 14.601 -11.752 0.995 1.00 0.00 H new ATOM 0 HA2 GLY A 61 15.892 -10.649 -0.677 1.00 0.00 H new ATOM 0 HA3 GLY A 61 15.419 -11.840 -1.872 1.00 0.00 H new ATOM 959 N PHE A 62 12.851 -10.114 -0.945 1.00 0.00 N ATOM 960 CA PHE A 62 11.817 -9.158 -1.408 1.00 0.00 C ATOM 961 C PHE A 62 11.500 -8.311 -0.160 1.00 0.00 C ATOM 962 O PHE A 62 12.137 -8.505 0.866 1.00 0.00 O ATOM 963 CB PHE A 62 10.638 -10.032 -1.900 1.00 0.00 C ATOM 964 CG PHE A 62 9.786 -10.472 -0.739 1.00 0.00 C ATOM 965 CD1 PHE A 62 8.863 -9.587 -0.176 1.00 0.00 C ATOM 966 CD2 PHE A 62 9.909 -11.772 -0.234 1.00 0.00 C ATOM 967 CE1 PHE A 62 8.059 -10.000 0.892 1.00 0.00 C ATOM 968 CE2 PHE A 62 9.107 -12.184 0.835 1.00 0.00 C ATOM 969 CZ PHE A 62 8.181 -11.298 1.398 1.00 0.00 C ATOM 0 H PHE A 62 12.609 -10.633 -0.101 1.00 0.00 H new ATOM 0 HA PHE A 62 12.091 -8.489 -2.224 1.00 0.00 H new ATOM 0 HB2 PHE A 62 10.032 -9.469 -2.610 1.00 0.00 H new ATOM 0 HB3 PHE A 62 11.021 -10.905 -2.429 1.00 0.00 H new ATOM 0 HD1 PHE A 62 8.770 -8.584 -0.565 1.00 0.00 H new ATOM 0 HD2 PHE A 62 10.622 -12.456 -0.670 1.00 0.00 H new ATOM 0 HE1 PHE A 62 7.344 -9.316 1.326 1.00 0.00 H new ATOM 0 HE2 PHE A 62 9.202 -13.186 1.226 1.00 0.00 H new ATOM 0 HZ PHE A 62 7.561 -11.617 2.223 1.00 0.00 H new ATOM 979 N GLY A 63 10.604 -7.365 -0.180 1.00 0.00 N ATOM 980 CA GLY A 63 10.415 -6.585 1.058 1.00 0.00 C ATOM 981 C GLY A 63 8.995 -6.028 1.151 1.00 0.00 C ATOM 982 O GLY A 63 8.312 -5.934 0.138 1.00 0.00 O ATOM 0 H GLY A 63 10.016 -7.109 -0.973 1.00 0.00 H new ATOM 0 HA2 GLY A 63 10.618 -7.217 1.923 1.00 0.00 H new ATOM 0 HA3 GLY A 63 11.132 -5.765 1.087 1.00 0.00 H new ATOM 986 N PHE A 64 8.522 -5.598 2.316 1.00 0.00 N ATOM 987 CA PHE A 64 7.156 -5.020 2.338 1.00 0.00 C ATOM 988 C PHE A 64 7.203 -3.637 3.016 1.00 0.00 C ATOM 989 O PHE A 64 8.020 -3.389 3.901 1.00 0.00 O ATOM 990 CB PHE A 64 6.257 -5.930 3.219 1.00 0.00 C ATOM 991 CG PHE A 64 5.465 -6.965 2.432 1.00 0.00 C ATOM 992 CD1 PHE A 64 5.943 -7.487 1.227 1.00 0.00 C ATOM 993 CD2 PHE A 64 4.241 -7.427 2.948 1.00 0.00 C ATOM 994 CE1 PHE A 64 5.205 -8.466 0.540 1.00 0.00 C ATOM 995 CE2 PHE A 64 3.505 -8.400 2.259 1.00 0.00 C ATOM 996 CZ PHE A 64 3.986 -8.920 1.055 1.00 0.00 C ATOM 0 H PHE A 64 9.014 -5.627 3.209 1.00 0.00 H new ATOM 0 HA PHE A 64 6.774 -4.940 1.320 1.00 0.00 H new ATOM 0 HB2 PHE A 64 6.882 -6.444 3.949 1.00 0.00 H new ATOM 0 HB3 PHE A 64 5.562 -5.304 3.779 1.00 0.00 H new ATOM 0 HD1 PHE A 64 6.882 -7.137 0.823 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.867 -7.030 3.880 1.00 0.00 H new ATOM 0 HE1 PHE A 64 5.580 -8.869 -0.389 1.00 0.00 H new ATOM 0 HE2 PHE A 64 2.564 -8.748 2.659 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.419 -9.670 0.524 1.00 0.00 H new ATOM 1006 N LEU A 65 6.317 -2.759 2.640 1.00 0.00 N ATOM 1007 CA LEU A 65 6.218 -1.420 3.269 1.00 0.00 C ATOM 1008 C LEU A 65 5.082 -1.505 4.308 1.00 0.00 C ATOM 1009 O LEU A 65 4.292 -2.443 4.280 1.00 0.00 O ATOM 1010 CB LEU A 65 5.819 -0.484 2.125 1.00 0.00 C ATOM 1011 CG LEU A 65 6.442 0.902 2.331 1.00 0.00 C ATOM 1012 CD1 LEU A 65 7.090 1.375 1.025 1.00 0.00 C ATOM 1013 CD2 LEU A 65 5.350 1.897 2.735 1.00 0.00 C ATOM 0 H LEU A 65 5.637 -2.923 1.898 1.00 0.00 H new ATOM 0 HA LEU A 65 7.131 -1.080 3.757 1.00 0.00 H new ATOM 0 HB2 LEU A 65 6.148 -0.901 1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.733 -0.399 2.077 1.00 0.00 H new ATOM 0 HG LEU A 65 7.197 0.843 3.115 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.532 2.360 1.174 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.867 0.670 0.728 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.333 1.432 0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.792 2.883 2.882 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.597 1.950 1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.883 1.567 3.663 1.00 0.00 H new ATOM 1025 N ARG A 66 4.962 -0.549 5.190 1.00 0.00 N ATOM 1026 CA ARG A 66 3.867 -0.590 6.199 1.00 0.00 C ATOM 1027 C ARG A 66 3.945 0.677 7.078 1.00 0.00 C ATOM 1028 O ARG A 66 4.812 1.500 6.891 1.00 0.00 O ATOM 1029 CB ARG A 66 4.149 -1.848 7.027 1.00 0.00 C ATOM 1030 CG ARG A 66 3.001 -2.106 8.005 1.00 0.00 C ATOM 1031 CD ARG A 66 1.662 -1.940 7.284 1.00 0.00 C ATOM 1032 NE ARG A 66 0.633 -2.310 8.296 1.00 0.00 N ATOM 1033 CZ ARG A 66 -0.549 -1.759 8.258 1.00 0.00 C ATOM 1034 NH1 ARG A 66 -0.691 -0.501 8.576 1.00 0.00 N ATOM 1035 NH2 ARG A 66 -1.588 -2.465 7.905 1.00 0.00 N ATOM 0 H ARG A 66 5.578 0.261 5.254 1.00 0.00 H new ATOM 0 HA ARG A 66 2.872 -0.618 5.755 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.274 -2.706 6.367 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.084 -1.729 7.575 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.081 -3.112 8.417 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.062 -1.412 8.843 1.00 0.00 H new ATOM 0 HD2 ARG A 66 1.524 -0.916 6.937 1.00 0.00 H new ATOM 0 HD3 ARG A 66 1.603 -2.584 6.407 1.00 0.00 H new ATOM 0 HE ARG A 66 0.853 -2.995 9.019 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.121 0.050 8.854 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.614 -0.069 8.547 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -1.476 -3.448 7.659 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.512 -2.033 7.876 1.00 0.00 H new ATOM 1049 N SER A 67 3.062 0.844 8.043 1.00 0.00 N ATOM 1050 CA SER A 67 3.142 2.068 8.900 1.00 0.00 C ATOM 1051 C SER A 67 4.352 1.975 9.825 1.00 0.00 C ATOM 1052 O SER A 67 5.286 1.240 9.570 1.00 0.00 O ATOM 1053 CB SER A 67 1.844 2.078 9.705 1.00 0.00 C ATOM 1054 OG SER A 67 0.772 1.652 8.874 1.00 0.00 O ATOM 0 H SER A 67 2.306 0.197 8.267 1.00 0.00 H new ATOM 0 HA SER A 67 3.257 2.980 8.314 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.933 1.419 10.569 1.00 0.00 H new ATOM 0 HB3 SER A 67 1.647 3.080 10.087 1.00 0.00 H new ATOM 0 HG SER A 67 -0.080 1.806 9.334 1.00 0.00 H new ATOM 1187 N ASP A 78 -0.391 -4.646 4.195 1.00 0.00 N ATOM 1188 CA ASP A 78 0.873 -3.848 4.013 1.00 0.00 C ATOM 1189 C ASP A 78 1.094 -3.558 2.521 1.00 0.00 C ATOM 1190 O ASP A 78 0.160 -3.515 1.745 1.00 0.00 O ATOM 1191 CB ASP A 78 2.021 -4.720 4.563 1.00 0.00 C ATOM 1192 CG ASP A 78 1.729 -5.086 6.019 1.00 0.00 C ATOM 1193 OD1 ASP A 78 0.563 -5.215 6.355 1.00 0.00 O ATOM 1194 OD2 ASP A 78 2.677 -5.229 6.774 1.00 0.00 O ATOM 0 HA ASP A 78 0.822 -2.892 4.534 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.125 -5.624 3.963 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.966 -4.182 4.494 1.00 0.00 H new ATOM 1199 N ILE A 79 2.321 -3.357 2.115 1.00 0.00 N ATOM 1200 CA ILE A 79 2.582 -3.068 0.654 1.00 0.00 C ATOM 1201 C ILE A 79 3.646 -4.054 0.096 1.00 0.00 C ATOM 1202 O ILE A 79 4.630 -4.305 0.773 1.00 0.00 O ATOM 1203 CB ILE A 79 3.152 -1.628 0.605 1.00 0.00 C ATOM 1204 CG1 ILE A 79 2.428 -0.728 1.623 1.00 0.00 C ATOM 1205 CG2 ILE A 79 2.998 -1.041 -0.804 1.00 0.00 C ATOM 1206 CD1 ILE A 79 1.030 -0.359 1.117 1.00 0.00 C ATOM 0 H ILE A 79 3.147 -3.378 2.713 1.00 0.00 H new ATOM 0 HA ILE A 79 1.674 -3.175 0.060 1.00 0.00 H new ATOM 0 HB ILE A 79 4.211 -1.671 0.860 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.350 -1.243 2.581 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.010 0.178 1.794 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.403 -0.029 -0.823 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.539 -1.662 -1.518 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.942 -1.014 -1.074 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.534 0.277 1.850 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.115 0.175 0.171 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.445 -1.267 0.970 1.00 0.00 H new ATOM 1218 N TYR A 80 3.521 -4.603 -1.112 1.00 0.00 N ATOM 1219 CA TYR A 80 4.623 -5.533 -1.581 1.00 0.00 C ATOM 1220 C TYR A 80 5.775 -4.705 -2.223 1.00 0.00 C ATOM 1221 O TYR A 80 5.524 -3.681 -2.829 1.00 0.00 O ATOM 1222 CB TYR A 80 4.005 -6.502 -2.619 1.00 0.00 C ATOM 1223 CG TYR A 80 5.057 -7.434 -3.185 1.00 0.00 C ATOM 1224 CD1 TYR A 80 6.146 -7.831 -2.403 1.00 0.00 C ATOM 1225 CD2 TYR A 80 4.934 -7.912 -4.501 1.00 0.00 C ATOM 1226 CE1 TYR A 80 7.108 -8.699 -2.930 1.00 0.00 C ATOM 1227 CE2 TYR A 80 5.897 -8.778 -5.025 1.00 0.00 C ATOM 1228 CZ TYR A 80 6.986 -9.171 -4.240 1.00 0.00 C ATOM 1229 OH TYR A 80 7.937 -10.029 -4.756 1.00 0.00 O ATOM 0 H TYR A 80 2.747 -4.457 -1.760 1.00 0.00 H new ATOM 0 HA TYR A 80 5.040 -6.094 -0.745 1.00 0.00 H new ATOM 0 HB2 TYR A 80 3.212 -7.085 -2.151 1.00 0.00 H new ATOM 0 HB3 TYR A 80 3.547 -5.931 -3.427 1.00 0.00 H new ATOM 0 HD1 TYR A 80 6.244 -7.467 -1.391 1.00 0.00 H new ATOM 0 HD2 TYR A 80 4.094 -7.609 -5.108 1.00 0.00 H new ATOM 0 HE1 TYR A 80 7.947 -9.005 -2.323 1.00 0.00 H new ATOM 0 HE2 TYR A 80 5.801 -9.144 -6.036 1.00 0.00 H new ATOM 0 HH TYR A 80 7.701 -10.262 -5.678 1.00 0.00 H new ATOM 1239 N VAL A 81 7.033 -5.116 -2.102 1.00 0.00 N ATOM 1240 CA VAL A 81 8.152 -4.326 -2.708 1.00 0.00 C ATOM 1241 C VAL A 81 9.224 -5.280 -3.298 1.00 0.00 C ATOM 1242 O VAL A 81 9.843 -6.030 -2.574 1.00 0.00 O ATOM 1243 CB VAL A 81 8.758 -3.497 -1.560 1.00 0.00 C ATOM 1244 CG1 VAL A 81 10.125 -2.972 -1.986 1.00 0.00 C ATOM 1245 CG2 VAL A 81 7.837 -2.322 -1.266 1.00 0.00 C ATOM 0 H VAL A 81 7.320 -5.962 -1.610 1.00 0.00 H new ATOM 0 HA VAL A 81 7.797 -3.690 -3.519 1.00 0.00 H new ATOM 0 HB VAL A 81 8.868 -4.116 -0.670 1.00 0.00 H new ATOM 0 HG11 VAL A 81 10.558 -2.384 -1.176 1.00 0.00 H new ATOM 0 HG12 VAL A 81 10.781 -3.811 -2.216 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.014 -2.345 -2.870 1.00 0.00 H new ATOM 0 HG21 VAL A 81 8.255 -1.726 -0.454 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.741 -1.703 -2.158 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.855 -2.694 -0.975 1.00 0.00 H new ATOM 1255 N SER A 82 9.445 -5.278 -4.596 1.00 0.00 N ATOM 1256 CA SER A 82 10.476 -6.217 -5.188 1.00 0.00 C ATOM 1257 C SER A 82 11.916 -5.756 -4.896 1.00 0.00 C ATOM 1258 O SER A 82 12.159 -4.618 -4.545 1.00 0.00 O ATOM 1259 CB SER A 82 10.220 -6.205 -6.714 1.00 0.00 C ATOM 1260 OG SER A 82 8.978 -6.844 -6.986 1.00 0.00 O ATOM 0 H SER A 82 8.967 -4.678 -5.268 1.00 0.00 H new ATOM 0 HA SER A 82 10.380 -7.212 -4.753 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.204 -5.180 -7.084 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.028 -6.719 -7.234 1.00 0.00 H new ATOM 0 HG SER A 82 8.811 -6.837 -7.952 1.00 0.00 H new ATOM 1266 N PRO A 83 12.824 -6.688 -5.081 1.00 0.00 N ATOM 1267 CA PRO A 83 14.267 -6.417 -4.869 1.00 0.00 C ATOM 1268 C PRO A 83 14.743 -5.422 -5.919 1.00 0.00 C ATOM 1269 O PRO A 83 15.333 -4.409 -5.604 1.00 0.00 O ATOM 1270 CB PRO A 83 14.925 -7.783 -5.050 1.00 0.00 C ATOM 1271 CG PRO A 83 13.966 -8.551 -5.897 1.00 0.00 C ATOM 1272 CD PRO A 83 12.592 -8.071 -5.514 1.00 0.00 C ATOM 0 HA PRO A 83 14.501 -5.984 -3.897 1.00 0.00 H new ATOM 0 HB2 PRO A 83 15.898 -7.694 -5.533 1.00 0.00 H new ATOM 0 HB3 PRO A 83 15.089 -8.275 -4.091 1.00 0.00 H new ATOM 0 HG2 PRO A 83 14.158 -8.379 -6.956 1.00 0.00 H new ATOM 0 HG3 PRO A 83 14.066 -9.623 -5.725 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.901 -8.118 -6.355 1.00 0.00 H new ATOM 0 HD3 PRO A 83 12.163 -8.676 -4.715 1.00 0.00 H new ATOM 1280 N SER A 84 14.454 -5.682 -7.168 1.00 0.00 N ATOM 1281 CA SER A 84 14.855 -4.716 -8.224 1.00 0.00 C ATOM 1282 C SER A 84 14.444 -3.325 -7.747 1.00 0.00 C ATOM 1283 O SER A 84 15.165 -2.360 -7.895 1.00 0.00 O ATOM 1284 CB SER A 84 14.061 -5.126 -9.464 1.00 0.00 C ATOM 1285 OG SER A 84 14.881 -5.923 -10.308 1.00 0.00 O ATOM 0 H SER A 84 13.963 -6.513 -7.496 1.00 0.00 H new ATOM 0 HA SER A 84 15.924 -4.709 -8.438 1.00 0.00 H new ATOM 0 HB2 SER A 84 13.171 -5.683 -9.172 1.00 0.00 H new ATOM 0 HB3 SER A 84 13.720 -4.240 -10.000 1.00 0.00 H new ATOM 0 HG SER A 84 14.372 -6.188 -11.103 1.00 0.00 H new ATOM 1291 N GLN A 85 13.291 -3.238 -7.133 1.00 0.00 N ATOM 1292 CA GLN A 85 12.832 -1.903 -6.595 1.00 0.00 C ATOM 1293 C GLN A 85 13.817 -1.449 -5.504 1.00 0.00 C ATOM 1294 O GLN A 85 14.421 -0.399 -5.601 1.00 0.00 O ATOM 1295 CB GLN A 85 11.427 -2.100 -5.992 1.00 0.00 C ATOM 1296 CG GLN A 85 10.357 -1.859 -7.065 1.00 0.00 C ATOM 1297 CD GLN A 85 10.379 -0.390 -7.496 1.00 0.00 C ATOM 1298 OE1 GLN A 85 11.330 0.319 -7.235 1.00 0.00 O ATOM 1299 NE2 GLN A 85 9.360 0.099 -8.150 1.00 0.00 N ATOM 0 H GLN A 85 12.650 -4.016 -6.978 1.00 0.00 H new ATOM 0 HA GLN A 85 12.798 -1.147 -7.380 1.00 0.00 H new ATOM 0 HB2 GLN A 85 11.332 -3.110 -5.592 1.00 0.00 H new ATOM 0 HB3 GLN A 85 11.280 -1.412 -5.159 1.00 0.00 H new ATOM 0 HG2 GLN A 85 10.540 -2.503 -7.925 1.00 0.00 H new ATOM 0 HG3 GLN A 85 9.373 -2.119 -6.675 1.00 0.00 H new ATOM 0 HE21 GLN A 85 8.561 -0.496 -8.369 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.363 1.076 -8.442 1.00 0.00 H new ATOM 1308 N ILE A 86 14.003 -2.244 -4.471 1.00 0.00 N ATOM 1309 CA ILE A 86 14.977 -1.854 -3.391 1.00 0.00 C ATOM 1310 C ILE A 86 16.332 -1.595 -4.029 1.00 0.00 C ATOM 1311 O ILE A 86 16.943 -0.558 -3.840 1.00 0.00 O ATOM 1312 CB ILE A 86 15.118 -3.052 -2.416 1.00 0.00 C ATOM 1313 CG1 ILE A 86 13.845 -3.916 -2.390 1.00 0.00 C ATOM 1314 CG2 ILE A 86 15.386 -2.525 -1.013 1.00 0.00 C ATOM 1315 CD1 ILE A 86 13.898 -4.918 -1.225 1.00 0.00 C ATOM 0 H ILE A 86 13.529 -3.136 -4.329 1.00 0.00 H new ATOM 0 HA ILE A 86 14.630 -0.964 -2.866 1.00 0.00 H new ATOM 0 HB ILE A 86 15.945 -3.673 -2.761 1.00 0.00 H new ATOM 0 HG12 ILE A 86 12.967 -3.278 -2.289 1.00 0.00 H new ATOM 0 HG13 ILE A 86 13.743 -4.452 -3.334 1.00 0.00 H new ATOM 0 HG21 ILE A 86 15.486 -3.363 -0.323 1.00 0.00 H new ATOM 0 HG22 ILE A 86 16.307 -1.943 -1.013 1.00 0.00 H new ATOM 0 HG23 ILE A 86 14.557 -1.892 -0.698 1.00 0.00 H new ATOM 0 HD11 ILE A 86 12.990 -5.521 -1.222 1.00 0.00 H new ATOM 0 HD12 ILE A 86 14.765 -5.568 -1.344 1.00 0.00 H new ATOM 0 HD13 ILE A 86 13.977 -4.376 -0.282 1.00 0.00 H new ATOM 1327 N ARG A 87 16.803 -2.550 -4.770 1.00 0.00 N ATOM 1328 CA ARG A 87 18.128 -2.416 -5.438 1.00 0.00 C ATOM 1329 C ARG A 87 18.170 -1.194 -6.348 1.00 0.00 C ATOM 1330 O ARG A 87 19.156 -0.489 -6.430 1.00 0.00 O ATOM 1331 CB ARG A 87 18.247 -3.677 -6.286 1.00 0.00 C ATOM 1332 CG ARG A 87 19.407 -4.537 -5.782 1.00 0.00 C ATOM 1333 CD ARG A 87 18.868 -5.638 -4.865 1.00 0.00 C ATOM 1334 NE ARG A 87 19.239 -6.914 -5.538 1.00 0.00 N ATOM 1335 CZ ARG A 87 19.407 -7.998 -4.830 1.00 0.00 C ATOM 1336 NH1 ARG A 87 18.431 -8.451 -4.091 1.00 0.00 N ATOM 1337 NH2 ARG A 87 20.548 -8.630 -4.864 1.00 0.00 N ATOM 0 H ARG A 87 16.322 -3.432 -4.946 1.00 0.00 H new ATOM 0 HA ARG A 87 18.934 -2.297 -4.713 1.00 0.00 H new ATOM 0 HB2 ARG A 87 17.317 -4.244 -6.242 1.00 0.00 H new ATOM 0 HB3 ARG A 87 18.408 -3.409 -7.330 1.00 0.00 H new ATOM 0 HG2 ARG A 87 19.938 -4.979 -6.625 1.00 0.00 H new ATOM 0 HG3 ARG A 87 20.124 -3.918 -5.242 1.00 0.00 H new ATOM 0 HD2 ARG A 87 19.308 -5.574 -3.870 1.00 0.00 H new ATOM 0 HD3 ARG A 87 17.788 -5.556 -4.742 1.00 0.00 H new ATOM 0 HE ARG A 87 19.362 -6.941 -6.550 1.00 0.00 H new ATOM 0 HH11 ARG A 87 17.538 -7.958 -4.067 1.00 0.00 H new ATOM 0 HH12 ARG A 87 18.561 -9.298 -3.537 1.00 0.00 H new ATOM 0 HH21 ARG A 87 21.309 -8.277 -5.444 1.00 0.00 H new ATOM 0 HH22 ARG A 87 20.679 -9.477 -4.311 1.00 0.00 H new ATOM 1351 N ARG A 88 17.116 -0.979 -7.062 1.00 0.00 N ATOM 1352 CA ARG A 88 17.088 0.175 -8.031 1.00 0.00 C ATOM 1353 C ARG A 88 17.305 1.517 -7.328 1.00 0.00 C ATOM 1354 O ARG A 88 17.958 2.390 -7.866 1.00 0.00 O ATOM 1355 CB ARG A 88 15.719 0.166 -8.749 1.00 0.00 C ATOM 1356 CG ARG A 88 15.740 -0.862 -9.882 1.00 0.00 C ATOM 1357 CD ARG A 88 14.305 -1.248 -10.251 1.00 0.00 C ATOM 1358 NE ARG A 88 14.347 -1.521 -11.714 1.00 0.00 N ATOM 1359 CZ ARG A 88 13.836 -2.625 -12.186 1.00 0.00 C ATOM 1360 NH1 ARG A 88 14.488 -3.749 -12.066 1.00 0.00 N ATOM 1361 NH2 ARG A 88 12.674 -2.604 -12.780 1.00 0.00 N ATOM 0 H ARG A 88 16.265 -1.541 -7.030 1.00 0.00 H new ATOM 0 HA ARG A 88 17.902 0.057 -8.747 1.00 0.00 H new ATOM 0 HB2 ARG A 88 14.927 -0.075 -8.040 1.00 0.00 H new ATOM 0 HB3 ARG A 88 15.499 1.157 -9.147 1.00 0.00 H new ATOM 0 HG2 ARG A 88 16.252 -0.449 -10.752 1.00 0.00 H new ATOM 0 HG3 ARG A 88 16.298 -1.746 -9.574 1.00 0.00 H new ATOM 0 HD2 ARG A 88 13.976 -2.126 -9.694 1.00 0.00 H new ATOM 0 HD3 ARG A 88 13.607 -0.443 -10.019 1.00 0.00 H new ATOM 0 HE ARG A 88 14.775 -0.845 -12.347 1.00 0.00 H new ATOM 0 HH11 ARG A 88 15.397 -3.764 -11.603 1.00 0.00 H new ATOM 0 HH12 ARG A 88 14.089 -4.612 -12.435 1.00 0.00 H new ATOM 0 HH21 ARG A 88 12.166 -1.725 -12.875 1.00 0.00 H new ATOM 0 HH22 ARG A 88 12.274 -3.467 -13.149 1.00 0.00 H new ATOM 1375 N PHE A 89 16.784 1.720 -6.145 1.00 0.00 N ATOM 1376 CA PHE A 89 17.031 3.059 -5.503 1.00 0.00 C ATOM 1377 C PHE A 89 17.899 2.925 -4.242 1.00 0.00 C ATOM 1378 O PHE A 89 17.994 3.851 -3.462 1.00 0.00 O ATOM 1379 CB PHE A 89 15.649 3.694 -5.180 1.00 0.00 C ATOM 1380 CG PHE A 89 14.761 3.595 -6.399 1.00 0.00 C ATOM 1381 CD1 PHE A 89 15.197 4.128 -7.620 1.00 0.00 C ATOM 1382 CD2 PHE A 89 13.507 2.976 -6.314 1.00 0.00 C ATOM 1383 CE1 PHE A 89 14.384 4.041 -8.755 1.00 0.00 C ATOM 1384 CE2 PHE A 89 12.693 2.889 -7.452 1.00 0.00 C ATOM 1385 CZ PHE A 89 13.132 3.421 -8.672 1.00 0.00 C ATOM 0 H PHE A 89 16.223 1.056 -5.611 1.00 0.00 H new ATOM 0 HA PHE A 89 17.585 3.704 -6.186 1.00 0.00 H new ATOM 0 HB2 PHE A 89 15.188 3.181 -4.336 1.00 0.00 H new ATOM 0 HB3 PHE A 89 15.773 4.737 -4.889 1.00 0.00 H new ATOM 0 HD1 PHE A 89 16.163 4.607 -7.685 1.00 0.00 H new ATOM 0 HD2 PHE A 89 13.168 2.567 -5.374 1.00 0.00 H new ATOM 0 HE1 PHE A 89 14.722 4.452 -9.695 1.00 0.00 H new ATOM 0 HE2 PHE A 89 11.726 2.411 -7.388 1.00 0.00 H new ATOM 0 HZ PHE A 89 12.504 3.353 -9.548 1.00 0.00 H new ATOM 1395 N ASN A 90 18.552 1.801 -4.023 1.00 0.00 N ATOM 1396 CA ASN A 90 19.402 1.691 -2.815 1.00 0.00 C ATOM 1397 C ASN A 90 18.544 1.924 -1.580 1.00 0.00 C ATOM 1398 O ASN A 90 18.811 2.794 -0.775 1.00 0.00 O ATOM 1399 CB ASN A 90 20.461 2.803 -2.962 1.00 0.00 C ATOM 1400 CG ASN A 90 21.768 2.353 -2.304 1.00 0.00 C ATOM 1401 OD1 ASN A 90 22.089 2.780 -1.212 1.00 0.00 O ATOM 1402 ND2 ASN A 90 22.539 1.506 -2.926 1.00 0.00 N ATOM 0 H ASN A 90 18.527 0.977 -4.623 1.00 0.00 H new ATOM 0 HA ASN A 90 19.868 0.711 -2.712 1.00 0.00 H new ATOM 0 HB2 ASN A 90 20.629 3.023 -4.016 1.00 0.00 H new ATOM 0 HB3 ASN A 90 20.105 3.723 -2.497 1.00 0.00 H new ATOM 0 HD21 ASN A 90 23.412 1.201 -2.497 1.00 0.00 H new ATOM 0 HD22 ASN A 90 22.269 1.148 -3.842 1.00 0.00 H new ATOM 1409 N LEU A 91 17.510 1.151 -1.429 1.00 0.00 N ATOM 1410 CA LEU A 91 16.626 1.332 -0.239 1.00 0.00 C ATOM 1411 C LEU A 91 17.159 0.487 0.922 1.00 0.00 C ATOM 1412 O LEU A 91 18.080 -0.287 0.757 1.00 0.00 O ATOM 1413 CB LEU A 91 15.238 0.822 -0.687 1.00 0.00 C ATOM 1414 CG LEU A 91 14.461 1.878 -1.510 1.00 0.00 C ATOM 1415 CD1 LEU A 91 15.261 3.175 -1.680 1.00 0.00 C ATOM 1416 CD2 LEU A 91 14.152 1.306 -2.896 1.00 0.00 C ATOM 0 H LEU A 91 17.236 0.406 -2.070 1.00 0.00 H new ATOM 0 HA LEU A 91 16.583 2.367 0.100 1.00 0.00 H new ATOM 0 HB2 LEU A 91 15.361 -0.082 -1.284 1.00 0.00 H new ATOM 0 HB3 LEU A 91 14.654 0.547 0.191 1.00 0.00 H new ATOM 0 HG LEU A 91 13.544 2.112 -0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 91 14.678 3.888 -2.263 1.00 0.00 H new ATOM 0 HD12 LEU A 91 15.478 3.600 -0.700 1.00 0.00 H new ATOM 0 HD13 LEU A 91 16.196 2.961 -2.198 1.00 0.00 H new ATOM 0 HD21 LEU A 91 13.605 2.045 -3.481 1.00 0.00 H new ATOM 0 HD22 LEU A 91 15.084 1.059 -3.404 1.00 0.00 H new ATOM 0 HD23 LEU A 91 13.547 0.406 -2.791 1.00 0.00 H new ATOM 1428 N ARG A 92 16.583 0.610 2.091 1.00 0.00 N ATOM 1429 CA ARG A 92 17.067 -0.213 3.240 1.00 0.00 C ATOM 1430 C ARG A 92 15.874 -0.546 4.150 1.00 0.00 C ATOM 1431 O ARG A 92 14.877 0.170 4.170 1.00 0.00 O ATOM 1432 CB ARG A 92 18.076 0.663 4.009 1.00 0.00 C ATOM 1433 CG ARG A 92 18.947 1.461 3.032 1.00 0.00 C ATOM 1434 CD ARG A 92 19.934 0.521 2.334 1.00 0.00 C ATOM 1435 NE ARG A 92 21.147 0.529 3.199 1.00 0.00 N ATOM 1436 CZ ARG A 92 22.321 0.749 2.675 1.00 0.00 C ATOM 1437 NH1 ARG A 92 22.465 1.679 1.770 1.00 0.00 N ATOM 1438 NH2 ARG A 92 23.349 0.039 3.052 1.00 0.00 N ATOM 0 H ARG A 92 15.806 1.238 2.298 1.00 0.00 H new ATOM 0 HA ARG A 92 17.527 -1.144 2.908 1.00 0.00 H new ATOM 0 HB2 ARG A 92 17.543 1.345 4.672 1.00 0.00 H new ATOM 0 HB3 ARG A 92 18.707 0.035 4.638 1.00 0.00 H new ATOM 0 HG2 ARG A 92 18.319 1.958 2.293 1.00 0.00 H new ATOM 0 HG3 ARG A 92 19.489 2.241 3.567 1.00 0.00 H new ATOM 0 HD2 ARG A 92 19.523 -0.484 2.239 1.00 0.00 H new ATOM 0 HD3 ARG A 92 20.165 0.867 1.327 1.00 0.00 H new ATOM 0 HE ARG A 92 21.059 0.362 4.201 1.00 0.00 H new ATOM 0 HH11 ARG A 92 21.660 2.232 1.474 1.00 0.00 H new ATOM 0 HH12 ARG A 92 23.382 1.853 1.359 1.00 0.00 H new ATOM 0 HH21 ARG A 92 23.235 -0.689 3.757 1.00 0.00 H new ATOM 0 HH22 ARG A 92 24.267 0.212 2.641 1.00 0.00 H new ATOM 1452 N THR A 93 15.948 -1.583 4.940 1.00 0.00 N ATOM 1453 CA THR A 93 14.768 -1.851 5.819 1.00 0.00 C ATOM 1454 C THR A 93 14.642 -0.664 6.771 1.00 0.00 C ATOM 1455 O THR A 93 15.614 0.016 7.036 1.00 0.00 O ATOM 1456 CB THR A 93 15.002 -3.164 6.642 1.00 0.00 C ATOM 1457 OG1 THR A 93 13.740 -3.664 7.053 1.00 0.00 O ATOM 1458 CG2 THR A 93 15.830 -2.850 7.895 1.00 0.00 C ATOM 0 H THR A 93 16.733 -2.230 5.017 1.00 0.00 H new ATOM 0 HA THR A 93 13.862 -1.977 5.225 1.00 0.00 H new ATOM 0 HB THR A 93 15.530 -3.893 6.028 1.00 0.00 H new ATOM 0 HG1 THR A 93 13.867 -4.488 7.569 1.00 0.00 H new ATOM 0 HG21 THR A 93 15.990 -3.766 8.464 1.00 0.00 H new ATOM 0 HG22 THR A 93 16.793 -2.433 7.600 1.00 0.00 H new ATOM 0 HG23 THR A 93 15.296 -2.128 8.512 1.00 0.00 H new ATOM 1466 N GLY A 94 13.489 -0.398 7.309 1.00 0.00 N ATOM 1467 CA GLY A 94 13.427 0.771 8.253 1.00 0.00 C ATOM 1468 C GLY A 94 13.433 2.099 7.464 1.00 0.00 C ATOM 1469 O GLY A 94 13.231 3.151 8.038 1.00 0.00 O ATOM 0 H GLY A 94 12.618 -0.906 7.154 1.00 0.00 H new ATOM 0 HA2 GLY A 94 12.526 0.707 8.863 1.00 0.00 H new ATOM 0 HA3 GLY A 94 14.277 0.742 8.935 1.00 0.00 H new ATOM 1473 N ASP A 95 13.679 2.086 6.163 1.00 0.00 N ATOM 1474 CA ASP A 95 13.705 3.377 5.414 1.00 0.00 C ATOM 1475 C ASP A 95 12.293 3.982 5.321 1.00 0.00 C ATOM 1476 O ASP A 95 11.308 3.272 5.237 1.00 0.00 O ATOM 1477 CB ASP A 95 14.226 3.022 4.014 1.00 0.00 C ATOM 1478 CG ASP A 95 15.750 3.135 3.994 1.00 0.00 C ATOM 1479 OD1 ASP A 95 16.344 3.037 5.055 1.00 0.00 O ATOM 1480 OD2 ASP A 95 16.297 3.320 2.921 1.00 0.00 O ATOM 0 H ASP A 95 13.858 1.250 5.606 1.00 0.00 H new ATOM 0 HA ASP A 95 14.333 4.118 5.910 1.00 0.00 H new ATOM 0 HB2 ASP A 95 13.922 2.010 3.747 1.00 0.00 H new ATOM 0 HB3 ASP A 95 13.791 3.692 3.272 1.00 0.00 H new ATOM 1485 N THR A 96 12.204 5.290 5.311 1.00 0.00 N ATOM 1486 CA THR A 96 10.891 5.980 5.204 1.00 0.00 C ATOM 1487 C THR A 96 10.593 6.230 3.715 1.00 0.00 C ATOM 1488 O THR A 96 11.415 6.828 3.031 1.00 0.00 O ATOM 1489 CB THR A 96 11.078 7.323 5.940 1.00 0.00 C ATOM 1490 OG1 THR A 96 12.316 7.316 6.634 1.00 0.00 O ATOM 1491 CG2 THR A 96 9.938 7.540 6.940 1.00 0.00 C ATOM 0 H THR A 96 13.006 5.917 5.374 1.00 0.00 H new ATOM 0 HA THR A 96 10.069 5.403 5.628 1.00 0.00 H new ATOM 0 HB THR A 96 11.070 8.131 5.208 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.435 8.170 7.100 1.00 0.00 H new ATOM 0 HG21 THR A 96 10.081 8.491 7.454 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.986 7.553 6.409 1.00 0.00 H new ATOM 0 HG23 THR A 96 9.935 6.730 7.670 1.00 0.00 H new ATOM 1499 N ILE A 97 9.475 5.786 3.168 1.00 0.00 N ATOM 1500 CA ILE A 97 9.261 6.046 1.716 1.00 0.00 C ATOM 1501 C ILE A 97 7.776 6.262 1.371 1.00 0.00 C ATOM 1502 O ILE A 97 6.880 5.961 2.145 1.00 0.00 O ATOM 1503 CB ILE A 97 9.797 4.785 0.990 1.00 0.00 C ATOM 1504 CG1 ILE A 97 11.045 4.249 1.723 1.00 0.00 C ATOM 1505 CG2 ILE A 97 10.146 5.101 -0.471 1.00 0.00 C ATOM 1506 CD1 ILE A 97 11.786 3.258 0.815 1.00 0.00 C ATOM 0 H ILE A 97 8.734 5.276 3.649 1.00 0.00 H new ATOM 0 HA ILE A 97 9.773 6.959 1.412 1.00 0.00 H new ATOM 0 HB ILE A 97 9.016 4.025 1.000 1.00 0.00 H new ATOM 0 HG12 ILE A 97 11.704 5.074 1.992 1.00 0.00 H new ATOM 0 HG13 ILE A 97 10.752 3.759 2.651 1.00 0.00 H new ATOM 0 HG21 ILE A 97 10.520 4.201 -0.959 1.00 0.00 H new ATOM 0 HG22 ILE A 97 9.254 5.452 -0.990 1.00 0.00 H new ATOM 0 HG23 ILE A 97 10.912 5.875 -0.503 1.00 0.00 H new ATOM 0 HD11 ILE A 97 12.667 2.879 1.333 1.00 0.00 H new ATOM 0 HD12 ILE A 97 11.125 2.427 0.568 1.00 0.00 H new ATOM 0 HD13 ILE A 97 12.092 3.763 -0.101 1.00 0.00 H new ATOM 1518 N SER A 98 7.533 6.775 0.165 1.00 0.00 N ATOM 1519 CA SER A 98 6.138 7.005 -0.293 1.00 0.00 C ATOM 1520 C SER A 98 6.072 6.836 -1.811 1.00 0.00 C ATOM 1521 O SER A 98 6.981 7.265 -2.516 1.00 0.00 O ATOM 1522 CB SER A 98 5.778 8.465 0.100 1.00 0.00 C ATOM 1523 OG SER A 98 6.534 9.351 -0.710 1.00 0.00 O ATOM 0 H SER A 98 8.254 7.038 -0.507 1.00 0.00 H new ATOM 0 HA SER A 98 5.442 6.299 0.160 1.00 0.00 H new ATOM 0 HB2 SER A 98 4.712 8.642 -0.039 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.995 8.638 1.154 1.00 0.00 H new ATOM 0 HG SER A 98 6.352 10.276 -0.442 1.00 0.00 H new ATOM 1529 N GLY A 99 5.016 6.210 -2.340 1.00 0.00 N ATOM 1530 CA GLY A 99 4.997 6.045 -3.837 1.00 0.00 C ATOM 1531 C GLY A 99 3.613 5.662 -4.439 1.00 0.00 C ATOM 1532 O GLY A 99 2.640 5.477 -3.729 1.00 0.00 O ATOM 0 H GLY A 99 4.219 5.832 -1.828 1.00 0.00 H new ATOM 0 HA2 GLY A 99 5.330 6.977 -4.294 1.00 0.00 H new ATOM 0 HA3 GLY A 99 5.721 5.278 -4.112 1.00 0.00 H new ATOM 1536 N LYS A 100 3.546 5.512 -5.785 1.00 0.00 N ATOM 1537 CA LYS A 100 2.259 5.117 -6.448 1.00 0.00 C ATOM 1538 C LYS A 100 2.225 3.576 -6.448 1.00 0.00 C ATOM 1539 O LYS A 100 3.290 2.966 -6.424 1.00 0.00 O ATOM 1540 CB LYS A 100 2.261 5.721 -7.872 1.00 0.00 C ATOM 1541 CG LYS A 100 2.504 4.648 -8.942 1.00 0.00 C ATOM 1542 CD LYS A 100 1.173 3.991 -9.308 1.00 0.00 C ATOM 1543 CE LYS A 100 0.482 4.818 -10.396 1.00 0.00 C ATOM 1544 NZ LYS A 100 0.207 3.861 -11.504 1.00 0.00 N ATOM 0 H LYS A 100 4.331 5.650 -6.421 1.00 0.00 H new ATOM 0 HA LYS A 100 1.369 5.485 -5.939 1.00 0.00 H new ATOM 0 HB2 LYS A 100 1.307 6.213 -8.060 1.00 0.00 H new ATOM 0 HB3 LYS A 100 3.034 6.486 -7.942 1.00 0.00 H new ATOM 0 HG2 LYS A 100 2.957 5.096 -9.826 1.00 0.00 H new ATOM 0 HG3 LYS A 100 3.203 3.899 -8.570 1.00 0.00 H new ATOM 0 HD2 LYS A 100 1.342 2.973 -9.661 1.00 0.00 H new ATOM 0 HD3 LYS A 100 0.534 3.922 -8.427 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -0.440 5.264 -10.024 1.00 0.00 H new ATOM 0 HE3 LYS A 100 1.119 5.636 -10.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -0.552 4.238 -12.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 1.069 3.730 -12.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -0.088 2.946 -11.107 1.00 0.00 H new ATOM 1558 N ILE A 101 1.067 2.915 -6.454 1.00 0.00 N ATOM 1559 CA ILE A 101 1.101 1.409 -6.379 1.00 0.00 C ATOM 1560 C ILE A 101 0.387 0.715 -7.559 1.00 0.00 C ATOM 1561 O ILE A 101 -0.442 1.312 -8.217 1.00 0.00 O ATOM 1562 CB ILE A 101 0.402 1.077 -5.028 1.00 0.00 C ATOM 1563 CG1 ILE A 101 -0.786 2.033 -4.809 1.00 0.00 C ATOM 1564 CG2 ILE A 101 1.403 1.230 -3.875 1.00 0.00 C ATOM 1565 CD1 ILE A 101 -1.468 1.756 -3.461 1.00 0.00 C ATOM 0 H ILE A 101 0.141 3.339 -6.506 1.00 0.00 H new ATOM 0 HA ILE A 101 2.125 1.041 -6.438 1.00 0.00 H new ATOM 0 HB ILE A 101 0.039 0.050 -5.056 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -0.438 3.066 -4.840 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -1.507 1.915 -5.618 1.00 0.00 H new ATOM 0 HG21 ILE A 101 0.910 0.997 -2.931 1.00 0.00 H new ATOM 0 HG22 ILE A 101 2.239 0.547 -4.026 1.00 0.00 H new ATOM 0 HG23 ILE A 101 1.772 2.255 -3.848 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -2.304 2.443 -3.328 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -1.835 0.730 -3.443 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -0.750 1.898 -2.654 1.00 0.00 H new ATOM 1577 N ARG A 102 0.694 -0.557 -7.842 1.00 0.00 N ATOM 1578 CA ARG A 102 0.014 -1.238 -8.968 1.00 0.00 C ATOM 1579 C ARG A 102 -0.193 -2.720 -8.633 1.00 0.00 C ATOM 1580 O ARG A 102 0.639 -3.341 -7.994 1.00 0.00 O ATOM 1581 CB ARG A 102 0.963 -1.082 -10.154 1.00 0.00 C ATOM 1582 CG ARG A 102 0.150 -0.800 -11.416 1.00 0.00 C ATOM 1583 CD ARG A 102 0.186 -2.028 -12.327 1.00 0.00 C ATOM 1584 NE ARG A 102 1.509 -1.962 -13.006 1.00 0.00 N ATOM 1585 CZ ARG A 102 1.855 -2.896 -13.846 1.00 0.00 C ATOM 1586 NH1 ARG A 102 1.398 -2.876 -15.068 1.00 0.00 N ATOM 1587 NH2 ARG A 102 2.658 -3.852 -13.466 1.00 0.00 N ATOM 0 H ARG A 102 1.377 -1.121 -7.337 1.00 0.00 H new ATOM 0 HA ARG A 102 -0.969 -0.817 -9.178 1.00 0.00 H new ATOM 0 HB2 ARG A 102 1.664 -0.268 -9.969 1.00 0.00 H new ATOM 0 HB3 ARG A 102 1.554 -1.988 -10.283 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -0.880 -0.559 -11.152 1.00 0.00 H new ATOM 0 HG3 ARG A 102 0.557 0.066 -11.938 1.00 0.00 H new ATOM 0 HD2 ARG A 102 0.082 -2.949 -11.753 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -0.630 -2.008 -13.049 1.00 0.00 H new ATOM 0 HE ARG A 102 2.144 -1.187 -12.814 1.00 0.00 H new ATOM 0 HH11 ARG A 102 0.770 -2.129 -15.365 1.00 0.00 H new ATOM 0 HH12 ARG A 102 1.669 -3.607 -15.726 1.00 0.00 H new ATOM 0 HH21 ARG A 102 3.015 -3.868 -12.511 1.00 0.00 H new ATOM 0 HH22 ARG A 102 2.928 -4.583 -14.124 1.00 0.00 H new ATOM 1688 N ARG A 109 -1.882 -11.547 -4.067 1.00 0.00 N ATOM 1689 CA ARG A 109 -2.381 -11.362 -2.671 1.00 0.00 C ATOM 1690 C ARG A 109 -2.120 -9.924 -2.169 1.00 0.00 C ATOM 1691 O ARG A 109 -3.035 -9.256 -1.732 1.00 0.00 O ATOM 1692 CB ARG A 109 -1.626 -12.412 -1.823 1.00 0.00 C ATOM 1693 CG ARG A 109 -2.303 -12.560 -0.457 1.00 0.00 C ATOM 1694 CD ARG A 109 -2.978 -13.930 -0.372 1.00 0.00 C ATOM 1695 NE ARG A 109 -1.894 -14.909 -0.666 1.00 0.00 N ATOM 1696 CZ ARG A 109 -0.856 -14.990 0.123 1.00 0.00 C ATOM 1697 NH1 ARG A 109 -1.024 -15.190 1.401 1.00 0.00 N ATOM 1698 NH2 ARG A 109 0.348 -14.871 -0.367 1.00 0.00 N ATOM 0 HA ARG A 109 -3.460 -11.501 -2.604 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -1.616 -13.372 -2.340 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -0.587 -12.109 -1.693 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -1.567 -12.455 0.340 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -3.040 -11.769 -0.316 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -3.406 -14.099 0.616 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -3.793 -14.015 -1.091 1.00 0.00 H new ATOM 0 HE ARG A 109 -1.962 -15.516 -1.483 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -1.965 -15.283 1.783 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -0.214 -15.253 2.018 1.00 0.00 H new ATOM 0 HH21 ARG A 109 0.479 -14.715 -1.366 1.00 0.00 H new ATOM 0 HH22 ARG A 109 1.158 -14.934 0.250 1.00 0.00 H new ATOM 1712 N TYR A 110 -0.909 -9.416 -2.241 1.00 0.00 N ATOM 1713 CA TYR A 110 -0.696 -7.987 -1.767 1.00 0.00 C ATOM 1714 C TYR A 110 -0.446 -7.065 -2.992 1.00 0.00 C ATOM 1715 O TYR A 110 0.146 -7.498 -3.961 1.00 0.00 O ATOM 1716 CB TYR A 110 0.555 -7.955 -0.824 1.00 0.00 C ATOM 1717 CG TYR A 110 0.566 -9.141 0.127 1.00 0.00 C ATOM 1718 CD1 TYR A 110 0.973 -10.404 -0.323 1.00 0.00 C ATOM 1719 CD2 TYR A 110 0.184 -8.972 1.469 1.00 0.00 C ATOM 1720 CE1 TYR A 110 0.994 -11.492 0.559 1.00 0.00 C ATOM 1721 CE2 TYR A 110 0.204 -10.062 2.348 1.00 0.00 C ATOM 1722 CZ TYR A 110 0.608 -11.320 1.893 1.00 0.00 C ATOM 1723 OH TYR A 110 0.632 -12.394 2.759 1.00 0.00 O ATOM 0 H TYR A 110 -0.082 -9.899 -2.592 1.00 0.00 H new ATOM 0 HA TYR A 110 -1.578 -7.636 -1.231 1.00 0.00 H new ATOM 0 HB2 TYR A 110 1.465 -7.960 -1.424 1.00 0.00 H new ATOM 0 HB3 TYR A 110 0.556 -7.028 -0.251 1.00 0.00 H new ATOM 0 HD1 TYR A 110 1.271 -10.539 -1.352 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -0.126 -8.000 1.823 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.308 -12.464 0.209 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -0.093 -9.930 3.378 1.00 0.00 H new ATOM 0 HH TYR A 110 0.336 -12.105 3.647 1.00 0.00 H new ATOM 1733 N PHE A 111 -0.844 -5.797 -2.975 1.00 0.00 N ATOM 1734 CA PHE A 111 -0.541 -4.936 -4.177 1.00 0.00 C ATOM 1735 C PHE A 111 0.984 -4.702 -4.225 1.00 0.00 C ATOM 1736 O PHE A 111 1.686 -5.068 -3.296 1.00 0.00 O ATOM 1737 CB PHE A 111 -1.298 -3.608 -3.964 1.00 0.00 C ATOM 1738 CG PHE A 111 -2.775 -3.826 -4.201 1.00 0.00 C ATOM 1739 CD1 PHE A 111 -3.253 -4.080 -5.494 1.00 0.00 C ATOM 1740 CD2 PHE A 111 -3.664 -3.782 -3.124 1.00 0.00 C ATOM 1741 CE1 PHE A 111 -4.623 -4.290 -5.703 1.00 0.00 C ATOM 1742 CE2 PHE A 111 -5.031 -3.990 -3.333 1.00 0.00 C ATOM 1743 CZ PHE A 111 -5.511 -4.247 -4.623 1.00 0.00 C ATOM 0 H PHE A 111 -1.345 -5.341 -2.212 1.00 0.00 H new ATOM 0 HA PHE A 111 -0.850 -5.395 -5.116 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -1.132 -3.241 -2.951 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -0.918 -2.847 -4.646 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -2.567 -4.114 -6.328 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -3.295 -3.587 -2.128 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -4.993 -4.485 -6.699 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -5.717 -3.952 -2.499 1.00 0.00 H new ATOM 0 HZ PHE A 111 -6.566 -4.412 -4.784 1.00 0.00 H new ATOM 1753 N ALA A 112 1.531 -4.109 -5.270 1.00 0.00 N ATOM 1754 CA ALA A 112 3.015 -3.928 -5.266 1.00 0.00 C ATOM 1755 C ALA A 112 3.386 -2.439 -5.404 1.00 0.00 C ATOM 1756 O ALA A 112 2.632 -1.656 -5.941 1.00 0.00 O ATOM 1757 CB ALA A 112 3.523 -4.708 -6.477 1.00 0.00 C ATOM 0 H ALA A 112 1.034 -3.758 -6.089 1.00 0.00 H new ATOM 0 HA ALA A 112 3.457 -4.280 -4.334 1.00 0.00 H new ATOM 0 HB1 ALA A 112 4.608 -4.620 -6.538 1.00 0.00 H new ATOM 0 HB2 ALA A 112 3.249 -5.758 -6.374 1.00 0.00 H new ATOM 0 HB3 ALA A 112 3.075 -4.303 -7.384 1.00 0.00 H new ATOM 1763 N LEU A 113 4.554 -2.035 -4.931 1.00 0.00 N ATOM 1764 CA LEU A 113 4.930 -0.601 -5.071 1.00 0.00 C ATOM 1765 C LEU A 113 5.170 -0.359 -6.569 1.00 0.00 C ATOM 1766 O LEU A 113 5.497 -1.282 -7.290 1.00 0.00 O ATOM 1767 CB LEU A 113 6.209 -0.370 -4.213 1.00 0.00 C ATOM 1768 CG LEU A 113 7.265 0.462 -4.974 1.00 0.00 C ATOM 1769 CD1 LEU A 113 6.969 1.957 -4.815 1.00 0.00 C ATOM 1770 CD2 LEU A 113 8.651 0.181 -4.396 1.00 0.00 C ATOM 0 H LEU A 113 5.241 -2.629 -4.467 1.00 0.00 H new ATOM 0 HA LEU A 113 4.165 0.093 -4.723 1.00 0.00 H new ATOM 0 HB2 LEU A 113 5.940 0.141 -3.289 1.00 0.00 H new ATOM 0 HB3 LEU A 113 6.637 -1.332 -3.932 1.00 0.00 H new ATOM 0 HG LEU A 113 7.232 0.188 -6.029 1.00 0.00 H new ATOM 0 HD11 LEU A 113 7.719 2.536 -5.355 1.00 0.00 H new ATOM 0 HD12 LEU A 113 5.981 2.177 -5.219 1.00 0.00 H new ATOM 0 HD13 LEU A 113 6.997 2.223 -3.758 1.00 0.00 H new ATOM 0 HD21 LEU A 113 9.395 0.768 -4.934 1.00 0.00 H new ATOM 0 HD22 LEU A 113 8.667 0.453 -3.341 1.00 0.00 H new ATOM 0 HD23 LEU A 113 8.881 -0.879 -4.501 1.00 0.00 H new ATOM 1782 N LEU A 114 5.009 0.833 -7.066 1.00 0.00 N ATOM 1783 CA LEU A 114 5.238 1.021 -8.537 1.00 0.00 C ATOM 1784 C LEU A 114 6.120 2.247 -8.837 1.00 0.00 C ATOM 1785 O LEU A 114 7.178 2.112 -9.419 1.00 0.00 O ATOM 1786 CB LEU A 114 3.844 1.146 -9.159 1.00 0.00 C ATOM 1787 CG LEU A 114 3.977 1.043 -10.697 1.00 0.00 C ATOM 1788 CD1 LEU A 114 4.045 -0.433 -11.099 1.00 0.00 C ATOM 1789 CD2 LEU A 114 2.762 1.688 -11.361 1.00 0.00 C ATOM 0 H LEU A 114 4.738 1.666 -6.543 1.00 0.00 H new ATOM 0 HA LEU A 114 5.786 0.180 -8.961 1.00 0.00 H new ATOM 0 HB2 LEU A 114 3.190 0.359 -8.783 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.390 2.097 -8.882 1.00 0.00 H new ATOM 0 HG LEU A 114 4.883 1.557 -11.018 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.139 -0.511 -12.182 1.00 0.00 H new ATOM 0 HD12 LEU A 114 4.909 -0.900 -10.625 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.136 -0.940 -10.776 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.858 1.614 -12.444 1.00 0.00 H new ATOM 0 HD22 LEU A 114 1.856 1.173 -11.041 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.704 2.737 -11.072 1.00 0.00 H new ATOM 1801 N LYS A 115 5.727 3.433 -8.450 1.00 0.00 N ATOM 1802 CA LYS A 115 6.612 4.623 -8.741 1.00 0.00 C ATOM 1803 C LYS A 115 7.132 5.208 -7.401 1.00 0.00 C ATOM 1804 O LYS A 115 6.395 5.261 -6.431 1.00 0.00 O ATOM 1805 CB LYS A 115 5.719 5.659 -9.512 1.00 0.00 C ATOM 1806 CG LYS A 115 5.723 7.027 -8.806 1.00 0.00 C ATOM 1807 CD LYS A 115 5.270 8.109 -9.788 1.00 0.00 C ATOM 1808 CE LYS A 115 6.483 8.660 -10.543 1.00 0.00 C ATOM 1809 NZ LYS A 115 6.239 10.128 -10.660 1.00 0.00 N ATOM 0 H LYS A 115 4.857 3.637 -7.958 1.00 0.00 H new ATOM 0 HA LYS A 115 7.482 4.358 -9.341 1.00 0.00 H new ATOM 0 HB2 LYS A 115 6.086 5.772 -10.532 1.00 0.00 H new ATOM 0 HB3 LYS A 115 4.698 5.284 -9.580 1.00 0.00 H new ATOM 0 HG2 LYS A 115 5.059 7.004 -7.942 1.00 0.00 H new ATOM 0 HG3 LYS A 115 6.722 7.253 -8.434 1.00 0.00 H new ATOM 0 HD2 LYS A 115 4.548 7.696 -10.492 1.00 0.00 H new ATOM 0 HD3 LYS A 115 4.767 8.914 -9.251 1.00 0.00 H new ATOM 0 HE2 LYS A 115 7.408 8.457 -10.004 1.00 0.00 H new ATOM 0 HE3 LYS A 115 6.579 8.197 -11.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 7.031 10.572 -11.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 5.356 10.292 -11.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 6.160 10.544 -9.710 1.00 0.00 H new ATOM 1823 N VAL A 116 8.375 5.658 -7.327 1.00 0.00 N ATOM 1824 CA VAL A 116 8.871 6.234 -6.014 1.00 0.00 C ATOM 1825 C VAL A 116 8.678 7.766 -5.955 1.00 0.00 C ATOM 1826 O VAL A 116 9.093 8.490 -6.840 1.00 0.00 O ATOM 1827 CB VAL A 116 10.384 5.874 -5.857 1.00 0.00 C ATOM 1828 CG1 VAL A 116 11.007 6.727 -4.754 1.00 0.00 C ATOM 1829 CG2 VAL A 116 10.524 4.399 -5.450 1.00 0.00 C ATOM 0 H VAL A 116 9.050 5.654 -8.091 1.00 0.00 H new ATOM 0 HA VAL A 116 8.291 5.805 -5.197 1.00 0.00 H new ATOM 0 HB VAL A 116 10.886 6.057 -6.807 1.00 0.00 H new ATOM 0 HG11 VAL A 116 12.062 6.472 -4.649 1.00 0.00 H new ATOM 0 HG12 VAL A 116 10.913 7.782 -5.013 1.00 0.00 H new ATOM 0 HG13 VAL A 116 10.492 6.537 -3.812 1.00 0.00 H new ATOM 0 HG21 VAL A 116 11.580 4.150 -5.341 1.00 0.00 H new ATOM 0 HG22 VAL A 116 10.012 4.233 -4.502 1.00 0.00 H new ATOM 0 HG23 VAL A 116 10.079 3.766 -6.218 1.00 0.00 H new ATOM 1839 N ASN A 117 8.079 8.255 -4.894 1.00 0.00 N ATOM 1840 CA ASN A 117 7.879 9.740 -4.729 1.00 0.00 C ATOM 1841 C ASN A 117 8.837 10.281 -3.658 1.00 0.00 C ATOM 1842 O ASN A 117 9.385 11.349 -3.800 1.00 0.00 O ATOM 1843 CB ASN A 117 6.436 9.950 -4.222 1.00 0.00 C ATOM 1844 CG ASN A 117 5.437 9.221 -5.127 1.00 0.00 C ATOM 1845 OD1 ASN A 117 5.815 8.634 -6.122 1.00 0.00 O ATOM 1846 ND2 ASN A 117 4.163 9.233 -4.819 1.00 0.00 N ATOM 0 H ASN A 117 7.716 7.688 -4.127 1.00 0.00 H new ATOM 0 HA ASN A 117 8.063 10.252 -5.674 1.00 0.00 H new ATOM 0 HB2 ASN A 117 6.346 9.581 -3.200 1.00 0.00 H new ATOM 0 HB3 ASN A 117 6.204 11.015 -4.198 1.00 0.00 H new ATOM 0 HD21 ASN A 117 3.490 8.750 -5.414 1.00 0.00 H new ATOM 0 HD22 ASN A 117 3.845 9.725 -3.984 1.00 0.00 H new ATOM 1853 N GLU A 118 9.055 9.560 -2.595 1.00 0.00 N ATOM 1854 CA GLU A 118 9.995 10.059 -1.542 1.00 0.00 C ATOM 1855 C GLU A 118 10.773 8.871 -0.962 1.00 0.00 C ATOM 1856 O GLU A 118 10.309 7.735 -1.033 1.00 0.00 O ATOM 1857 CB GLU A 118 9.111 10.700 -0.466 1.00 0.00 C ATOM 1858 CG GLU A 118 8.407 11.932 -1.038 1.00 0.00 C ATOM 1859 CD GLU A 118 9.409 13.084 -1.152 1.00 0.00 C ATOM 1860 OE1 GLU A 118 10.371 12.935 -1.887 1.00 0.00 O ATOM 1861 OE2 GLU A 118 9.196 14.093 -0.502 1.00 0.00 O ATOM 0 H GLU A 118 8.629 8.653 -2.406 1.00 0.00 H new ATOM 0 HA GLU A 118 10.718 10.775 -1.933 1.00 0.00 H new ATOM 0 HB2 GLU A 118 8.373 9.980 -0.112 1.00 0.00 H new ATOM 0 HB3 GLU A 118 9.717 10.983 0.394 1.00 0.00 H new ATOM 0 HG2 GLU A 118 7.987 11.702 -2.017 1.00 0.00 H new ATOM 0 HG3 GLU A 118 7.576 12.221 -0.395 1.00 0.00 H new ATOM 1868 N VAL A 119 11.952 9.113 -0.391 1.00 0.00 N ATOM 1869 CA VAL A 119 12.769 7.991 0.154 1.00 0.00 C ATOM 1870 C VAL A 119 13.721 8.552 1.242 1.00 0.00 C ATOM 1871 O VAL A 119 14.232 9.645 1.103 1.00 0.00 O ATOM 1872 CB VAL A 119 13.586 7.487 -1.054 1.00 0.00 C ATOM 1873 CG1 VAL A 119 14.217 6.128 -0.739 1.00 0.00 C ATOM 1874 CG2 VAL A 119 12.680 7.339 -2.286 1.00 0.00 C ATOM 0 H VAL A 119 12.367 10.039 -0.287 1.00 0.00 H new ATOM 0 HA VAL A 119 12.170 7.199 0.603 1.00 0.00 H new ATOM 0 HB VAL A 119 14.370 8.216 -1.261 1.00 0.00 H new ATOM 0 HG11 VAL A 119 14.790 5.785 -1.600 1.00 0.00 H new ATOM 0 HG12 VAL A 119 14.878 6.225 0.122 1.00 0.00 H new ATOM 0 HG13 VAL A 119 13.432 5.406 -0.514 1.00 0.00 H new ATOM 0 HG21 VAL A 119 13.270 6.983 -3.131 1.00 0.00 H new ATOM 0 HG22 VAL A 119 11.886 6.624 -2.070 1.00 0.00 H new ATOM 0 HG23 VAL A 119 12.240 8.305 -2.532 1.00 0.00 H new ATOM 1884 N ASN A 120 13.917 7.838 2.345 1.00 0.00 N ATOM 1885 CA ASN A 120 14.794 8.361 3.469 1.00 0.00 C ATOM 1886 C ASN A 120 15.936 9.215 2.926 1.00 0.00 C ATOM 1887 O ASN A 120 16.371 10.151 3.568 1.00 0.00 O ATOM 1888 CB ASN A 120 15.364 7.124 4.217 1.00 0.00 C ATOM 1889 CG ASN A 120 15.269 7.364 5.726 1.00 0.00 C ATOM 1890 OD1 ASN A 120 15.173 6.431 6.497 1.00 0.00 O ATOM 1891 ND2 ASN A 120 15.295 8.587 6.182 1.00 0.00 N ATOM 0 H ASN A 120 13.509 6.919 2.515 1.00 0.00 H new ATOM 0 HA ASN A 120 14.209 8.993 4.138 1.00 0.00 H new ATOM 0 HB2 ASN A 120 14.806 6.229 3.943 1.00 0.00 H new ATOM 0 HB3 ASN A 120 16.401 6.954 3.928 1.00 0.00 H new ATOM 0 HD21 ASN A 120 15.235 8.758 7.186 1.00 0.00 H new ATOM 0 HD22 ASN A 120 15.376 9.371 5.535 1.00 0.00 H new