USER MOD reduce.3.24.130724 H: found=0, std=0, add=1072, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1072 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 101 MET CE :methyl -136:sc= -2.31! (180deg=-3.24!) USER MOD Set 1.2: A 117 MET CE :methyl -128:sc= -0.145 (180deg=-0.657) USER MOD Set 2.1: A 93 SER OG : rot -161:sc= 0.418 USER MOD Set 2.2: A 108 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 91 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Set 3.2: A 118 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 65 THR OG1 : rot 180:sc= -0.0955 USER MOD Set 4.2: A 68 GLN : amide:sc= 0.0093 K(o=-0.086,f=-6.1!) USER MOD Single : A 0 SER OG : rot 41:sc= 0.056 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= -0.146 USER MOD Single : A 23 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.19) USER MOD Single : A 32 LYS NZ :NH3+ 164:sc= -0.0727 (180deg=-0.331) USER MOD Single : A 35 ASN :FLIP amide:sc= 0 F(o=-0.89,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0736) USER MOD Single : A 44 TYR OH : rot 60:sc= 0.467 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0622) USER MOD Single : A 56 THR OG1 : rot 36:sc= 1.08 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 MET CE :methyl 180:sc= -1.91 (180deg=-1.91) USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.495 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 67:sc= 1.13 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.837 K(o=-0.84,f=-5.1!) USER MOD Single : A 92 LYS NZ :NH3+ -166:sc= -0.0202 (180deg=-0.21) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot -32:sc= 0.0958 USER MOD Single : A 100 THR OG1 : rot 180:sc= -1.07 USER MOD Single : A 105 TYR OH : rot 50:sc= -0.566 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 TYR OH : rot 44:sc= 0.839 USER MOD Single : A 119 TYR OH : rot 165:sc= -1.04! USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 THR OG1 : rot 59:sc= 0.101 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 -49.622 -2.343 6.157 1.00 29.36 N ATOM 2 CA GLY A -1 -49.248 -3.446 7.076 1.00 29.54 C ATOM 3 C GLY A -1 -47.776 -3.415 7.420 1.00 29.10 C ATOM 4 O GLY A -1 -47.294 -2.452 8.019 1.00 28.91 O ATOM 0 H1 GLY A -1 -50.639 -2.398 5.944 1.00 29.36 H new ATOM 0 H2 GLY A -1 -49.411 -1.429 6.607 1.00 29.36 H new ATOM 0 H3 GLY A -1 -49.079 -2.427 5.274 1.00 29.36 H new ATOM 0 HA2 GLY A -1 -49.837 -3.373 7.990 1.00 29.54 H new ATOM 0 HA3 GLY A -1 -49.493 -4.403 6.615 1.00 29.54 H new ATOM 10 N SER A 0 -47.056 -4.460 7.045 1.00 28.99 N ATOM 11 CA SER A 0 -45.627 -4.514 7.283 1.00 28.64 C ATOM 12 C SER A 0 -44.868 -3.901 6.115 1.00 27.50 C ATOM 13 O SER A 0 -45.055 -4.299 4.965 1.00 27.11 O ATOM 14 CB SER A 0 -45.184 -5.960 7.513 1.00 29.29 C ATOM 15 OG SER A 0 -45.695 -6.820 6.508 1.00 29.85 O ATOM 0 H SER A 0 -47.439 -5.280 6.575 1.00 28.99 H new ATOM 0 HA SER A 0 -45.401 -3.935 8.178 1.00 28.64 H new ATOM 0 HB2 SER A 0 -44.095 -6.012 7.521 1.00 29.29 H new ATOM 0 HB3 SER A 0 -45.526 -6.297 8.492 1.00 29.29 H new ATOM 0 HG SER A 0 -45.630 -6.378 5.636 1.00 29.85 H new ATOM 21 N MET A 1 -44.028 -2.923 6.412 1.00 27.04 N ATOM 22 CA MET A 1 -43.235 -2.266 5.389 1.00 26.01 C ATOM 23 C MET A 1 -41.930 -3.020 5.169 1.00 25.09 C ATOM 24 O MET A 1 -41.148 -3.201 6.105 1.00 25.06 O ATOM 25 CB MET A 1 -42.934 -0.819 5.786 1.00 26.03 C ATOM 26 CG MET A 1 -42.083 -0.077 4.767 1.00 26.09 C ATOM 27 SD MET A 1 -41.699 1.609 5.279 1.00 26.08 S ATOM 28 CE MET A 1 -40.667 2.147 3.918 1.00 26.33 C ATOM 0 H MET A 1 -43.878 -2.567 7.356 1.00 27.04 H new ATOM 0 HA MET A 1 -43.808 -2.264 4.462 1.00 26.01 H new ATOM 0 HB2 MET A 1 -43.874 -0.284 5.921 1.00 26.03 H new ATOM 0 HB3 MET A 1 -42.423 -0.813 6.749 1.00 26.03 H new ATOM 0 HG2 MET A 1 -41.154 -0.625 4.607 1.00 26.09 H new ATOM 0 HG3 MET A 1 -42.607 -0.052 3.811 1.00 26.09 H new ATOM 0 HE1 MET A 1 -40.348 3.175 4.088 1.00 26.33 H new ATOM 0 HE2 MET A 1 -39.791 1.502 3.848 1.00 26.33 H new ATOM 0 HE3 MET A 1 -41.233 2.092 2.988 1.00 26.33 H new ATOM 38 N PRO A 2 -41.684 -3.494 3.944 1.00 24.39 N ATOM 39 CA PRO A 2 -40.426 -4.152 3.596 1.00 23.52 C ATOM 40 C PRO A 2 -39.271 -3.158 3.561 1.00 22.82 C ATOM 41 O PRO A 2 -39.401 -2.073 2.988 1.00 22.63 O ATOM 42 CB PRO A 2 -40.674 -4.713 2.188 1.00 23.10 C ATOM 43 CG PRO A 2 -42.141 -4.581 1.947 1.00 23.69 C ATOM 44 CD PRO A 2 -42.607 -3.439 2.800 1.00 24.48 C ATOM 0 HA PRO A 2 -40.152 -4.916 4.323 1.00 23.52 H new ATOM 0 HB2 PRO A 2 -40.104 -4.160 1.441 1.00 23.10 H new ATOM 0 HB3 PRO A 2 -40.360 -5.755 2.122 1.00 23.10 H new ATOM 0 HG2 PRO A 2 -42.346 -4.389 0.894 1.00 23.69 H new ATOM 0 HG3 PRO A 2 -42.663 -5.501 2.210 1.00 23.69 H new ATOM 0 HD2 PRO A 2 -42.543 -2.487 2.273 1.00 24.48 H new ATOM 0 HD3 PRO A 2 -43.645 -3.562 3.110 1.00 24.48 H new ATOM 52 N PRO A 3 -38.138 -3.500 4.198 1.00 22.54 N ATOM 53 CA PRO A 3 -36.924 -2.685 4.133 1.00 21.97 C ATOM 54 C PRO A 3 -36.526 -2.416 2.685 1.00 21.06 C ATOM 55 O PRO A 3 -36.343 -3.356 1.908 1.00 20.64 O ATOM 56 CB PRO A 3 -35.869 -3.548 4.831 1.00 21.96 C ATOM 57 CG PRO A 3 -36.646 -4.442 5.734 1.00 22.48 C ATOM 58 CD PRO A 3 -37.953 -4.700 5.034 1.00 22.87 C ATOM 0 HA PRO A 3 -37.049 -1.707 4.598 1.00 21.97 H new ATOM 0 HB2 PRO A 3 -35.288 -4.123 4.110 1.00 21.96 H new ATOM 0 HB3 PRO A 3 -35.164 -2.935 5.392 1.00 21.96 H new ATOM 0 HG2 PRO A 3 -36.110 -5.374 5.917 1.00 22.48 H new ATOM 0 HG3 PRO A 3 -36.808 -3.972 6.704 1.00 22.48 H new ATOM 0 HD2 PRO A 3 -37.913 -5.607 4.431 1.00 22.87 H new ATOM 0 HD3 PRO A 3 -38.771 -4.825 5.744 1.00 22.87 H new ATOM 66 N PRO A 4 -36.411 -1.127 2.313 1.00 20.84 N ATOM 67 CA PRO A 4 -36.170 -0.694 0.930 1.00 20.09 C ATOM 68 C PRO A 4 -35.108 -1.516 0.210 1.00 19.53 C ATOM 69 O PRO A 4 -33.940 -1.537 0.612 1.00 19.27 O ATOM 70 CB PRO A 4 -35.697 0.747 1.097 1.00 20.21 C ATOM 71 CG PRO A 4 -36.387 1.221 2.325 1.00 21.02 C ATOM 72 CD PRO A 4 -36.503 0.024 3.233 1.00 21.43 C ATOM 0 HA PRO A 4 -37.064 -0.811 0.317 1.00 20.09 H new ATOM 0 HB2 PRO A 4 -34.614 0.800 1.204 1.00 20.21 H new ATOM 0 HB3 PRO A 4 -35.962 1.355 0.232 1.00 20.21 H new ATOM 0 HG2 PRO A 4 -35.822 2.020 2.805 1.00 21.02 H new ATOM 0 HG3 PRO A 4 -37.371 1.625 2.087 1.00 21.02 H new ATOM 0 HD2 PRO A 4 -35.706 0.007 3.976 1.00 21.43 H new ATOM 0 HD3 PRO A 4 -37.447 0.026 3.778 1.00 21.43 H new ATOM 80 N GLN A 5 -35.525 -2.206 -0.843 1.00 19.48 N ATOM 81 CA GLN A 5 -34.608 -2.986 -1.658 1.00 19.08 C ATOM 82 C GLN A 5 -33.976 -2.100 -2.717 1.00 18.23 C ATOM 83 O GLN A 5 -32.869 -2.362 -3.189 1.00 17.82 O ATOM 84 CB GLN A 5 -35.336 -4.155 -2.322 1.00 19.59 C ATOM 85 CG GLN A 5 -35.832 -5.201 -1.342 1.00 19.61 C ATOM 86 CD GLN A 5 -36.576 -6.330 -2.028 1.00 20.26 C ATOM 87 OE1 GLN A 5 -37.792 -6.279 -2.193 1.00 20.54 O ATOM 88 NE2 GLN A 5 -35.848 -7.353 -2.440 1.00 20.60 N ATOM 0 H GLN A 5 -36.496 -2.240 -1.152 1.00 19.48 H new ATOM 0 HA GLN A 5 -33.827 -3.388 -1.012 1.00 19.08 H new ATOM 0 HB2 GLN A 5 -36.184 -3.769 -2.888 1.00 19.59 H new ATOM 0 HB3 GLN A 5 -34.665 -4.630 -3.038 1.00 19.59 H new ATOM 0 HG2 GLN A 5 -34.985 -5.610 -0.792 1.00 19.61 H new ATOM 0 HG3 GLN A 5 -36.488 -4.728 -0.612 1.00 19.61 H new ATOM 0 HE21 GLN A 5 -34.840 -7.357 -2.284 1.00 20.60 H new ATOM 0 HE22 GLN A 5 -36.294 -8.138 -2.914 1.00 20.60 H new ATOM 97 N LYS A 6 -34.686 -1.042 -3.082 1.00 18.08 N ATOM 98 CA LYS A 6 -34.179 -0.077 -4.039 1.00 17.42 C ATOM 99 C LYS A 6 -33.153 0.826 -3.370 1.00 16.78 C ATOM 100 O LYS A 6 -33.282 1.159 -2.190 1.00 16.87 O ATOM 101 CB LYS A 6 -35.325 0.766 -4.611 1.00 17.87 C ATOM 102 CG LYS A 6 -36.357 -0.045 -5.381 1.00 18.15 C ATOM 103 CD LYS A 6 -35.792 -0.600 -6.681 1.00 18.50 C ATOM 104 CE LYS A 6 -35.513 0.506 -7.690 1.00 18.81 C ATOM 105 NZ LYS A 6 -34.963 -0.028 -8.965 1.00 18.97 N ATOM 0 H LYS A 6 -35.619 -0.832 -2.726 1.00 18.08 H new ATOM 0 HA LYS A 6 -33.702 -0.616 -4.858 1.00 17.42 H new ATOM 0 HB2 LYS A 6 -35.823 1.288 -3.794 1.00 17.87 H new ATOM 0 HB3 LYS A 6 -34.909 1.528 -5.270 1.00 17.87 H new ATOM 0 HG2 LYS A 6 -36.710 -0.867 -4.759 1.00 18.15 H new ATOM 0 HG3 LYS A 6 -37.221 0.582 -5.600 1.00 18.15 H new ATOM 0 HD2 LYS A 6 -34.871 -1.145 -6.474 1.00 18.50 H new ATOM 0 HD3 LYS A 6 -36.496 -1.314 -7.109 1.00 18.50 H new ATOM 0 HE2 LYS A 6 -36.434 1.052 -7.893 1.00 18.81 H new ATOM 0 HE3 LYS A 6 -34.808 1.218 -7.261 1.00 18.81 H new ATOM 0 HZ1 LYS A 6 -34.787 0.758 -9.623 1.00 18.97 H new ATOM 0 HZ2 LYS A 6 -34.070 -0.527 -8.776 1.00 18.97 H new ATOM 0 HZ3 LYS A 6 -35.646 -0.688 -9.388 1.00 18.97 H new ATOM 119 N ILE A 7 -32.130 1.204 -4.113 1.00 16.28 N ATOM 120 CA ILE A 7 -31.110 2.096 -3.596 1.00 15.80 C ATOM 121 C ILE A 7 -30.979 3.324 -4.501 1.00 15.32 C ATOM 122 O ILE A 7 -30.269 3.314 -5.512 1.00 15.18 O ATOM 123 CB ILE A 7 -29.752 1.369 -3.416 1.00 15.71 C ATOM 124 CG1 ILE A 7 -28.678 2.332 -2.901 1.00 16.07 C ATOM 125 CG2 ILE A 7 -29.303 0.692 -4.703 1.00 15.48 C ATOM 126 CD1 ILE A 7 -28.961 2.871 -1.514 1.00 16.36 C ATOM 0 H ILE A 7 -31.983 0.907 -5.078 1.00 16.28 H new ATOM 0 HA ILE A 7 -31.417 2.432 -2.606 1.00 15.80 H new ATOM 0 HB ILE A 7 -29.896 0.589 -2.668 1.00 15.71 H new ATOM 0 HG12 ILE A 7 -27.716 1.819 -2.893 1.00 16.07 H new ATOM 0 HG13 ILE A 7 -28.588 3.168 -3.595 1.00 16.07 H new ATOM 0 HG21 ILE A 7 -28.348 0.193 -4.538 1.00 15.48 H new ATOM 0 HG22 ILE A 7 -30.048 -0.043 -5.007 1.00 15.48 H new ATOM 0 HG23 ILE A 7 -29.191 1.440 -5.488 1.00 15.48 H new ATOM 0 HD11 ILE A 7 -28.159 3.546 -1.215 1.00 16.36 H new ATOM 0 HD12 ILE A 7 -29.907 3.412 -1.520 1.00 16.36 H new ATOM 0 HD13 ILE A 7 -29.021 2.043 -0.807 1.00 16.36 H new ATOM 138 N PRO A 8 -31.716 4.393 -4.162 1.00 15.19 N ATOM 139 CA PRO A 8 -31.724 5.639 -4.933 1.00 14.91 C ATOM 140 C PRO A 8 -30.343 6.278 -5.032 1.00 14.32 C ATOM 141 O PRO A 8 -29.883 6.613 -6.123 1.00 14.51 O ATOM 142 CB PRO A 8 -32.669 6.550 -4.144 1.00 15.11 C ATOM 143 CG PRO A 8 -33.510 5.625 -3.336 1.00 15.30 C ATOM 144 CD PRO A 8 -32.626 4.459 -3.005 1.00 15.48 C ATOM 0 HA PRO A 8 -32.034 5.466 -5.964 1.00 14.91 H new ATOM 0 HB2 PRO A 8 -32.113 7.237 -3.506 1.00 15.11 H new ATOM 0 HB3 PRO A 8 -33.280 7.158 -4.811 1.00 15.11 H new ATOM 0 HG2 PRO A 8 -33.870 6.113 -2.430 1.00 15.30 H new ATOM 0 HG3 PRO A 8 -34.388 5.304 -3.896 1.00 15.30 H new ATOM 0 HD2 PRO A 8 -32.083 4.616 -2.073 1.00 15.48 H new ATOM 0 HD3 PRO A 8 -33.199 3.539 -2.889 1.00 15.48 H new ATOM 152 N SER A 9 -29.686 6.442 -3.892 1.00 13.73 N ATOM 153 CA SER A 9 -28.377 7.071 -3.848 1.00 13.20 C ATOM 154 C SER A 9 -27.268 6.029 -3.976 1.00 12.19 C ATOM 155 O SER A 9 -27.036 5.239 -3.061 1.00 11.80 O ATOM 156 CB SER A 9 -28.218 7.852 -2.542 1.00 13.42 C ATOM 157 OG SER A 9 -29.316 8.728 -2.335 1.00 13.76 O ATOM 0 H SER A 9 -30.041 6.146 -2.983 1.00 13.73 H new ATOM 0 HA SER A 9 -28.296 7.759 -4.689 1.00 13.20 H new ATOM 0 HB2 SER A 9 -28.140 7.157 -1.706 1.00 13.42 H new ATOM 0 HB3 SER A 9 -27.291 8.425 -2.567 1.00 13.42 H new ATOM 0 HG SER A 9 -29.192 9.215 -1.493 1.00 13.76 H new ATOM 163 N VAL A 10 -26.596 6.021 -5.122 1.00 11.94 N ATOM 164 CA VAL A 10 -25.473 5.121 -5.338 1.00 11.10 C ATOM 165 C VAL A 10 -24.287 5.555 -4.484 1.00 10.38 C ATOM 166 O VAL A 10 -23.673 6.594 -4.735 1.00 10.56 O ATOM 167 CB VAL A 10 -25.060 5.073 -6.822 1.00 11.34 C ATOM 168 CG1 VAL A 10 -23.851 4.172 -7.021 1.00 11.49 C ATOM 169 CG2 VAL A 10 -26.224 4.598 -7.679 1.00 11.93 C ATOM 0 H VAL A 10 -26.810 6.627 -5.914 1.00 11.94 H new ATOM 0 HA VAL A 10 -25.788 4.119 -5.046 1.00 11.10 H new ATOM 0 HB VAL A 10 -24.785 6.081 -7.132 1.00 11.34 H new ATOM 0 HG11 VAL A 10 -23.580 4.155 -8.077 1.00 11.49 H new ATOM 0 HG12 VAL A 10 -23.013 4.553 -6.437 1.00 11.49 H new ATOM 0 HG13 VAL A 10 -24.093 3.161 -6.692 1.00 11.49 H new ATOM 0 HG21 VAL A 10 -25.918 4.569 -8.725 1.00 11.93 H new ATOM 0 HG22 VAL A 10 -26.526 3.600 -7.362 1.00 11.93 H new ATOM 0 HG23 VAL A 10 -27.063 5.284 -7.566 1.00 11.93 H new ATOM 179 N ARG A 11 -23.991 4.767 -3.467 1.00 9.76 N ATOM 180 CA ARG A 11 -22.943 5.094 -2.516 1.00 9.19 C ATOM 181 C ARG A 11 -21.764 4.137 -2.666 1.00 8.44 C ATOM 182 O ARG A 11 -21.881 2.947 -2.371 1.00 8.32 O ATOM 183 CB ARG A 11 -23.514 5.035 -1.097 1.00 9.37 C ATOM 184 CG ARG A 11 -22.498 5.272 0.004 1.00 9.61 C ATOM 185 CD ARG A 11 -23.165 5.231 1.370 1.00 10.18 C ATOM 186 NE ARG A 11 -23.914 3.987 1.576 1.00 10.69 N ATOM 187 CZ ARG A 11 -25.061 3.907 2.253 1.00 11.43 C ATOM 188 NH1 ARG A 11 -25.595 4.994 2.799 1.00 11.75 N ATOM 189 NH2 ARG A 11 -25.677 2.737 2.381 1.00 12.04 N ATOM 0 H ARG A 11 -24.468 3.886 -3.277 1.00 9.76 H new ATOM 0 HA ARG A 11 -22.579 6.102 -2.713 1.00 9.19 H new ATOM 0 HB2 ARG A 11 -24.307 5.778 -1.008 1.00 9.37 H new ATOM 0 HB3 ARG A 11 -23.974 4.058 -0.945 1.00 9.37 H new ATOM 0 HG2 ARG A 11 -21.716 4.514 -0.047 1.00 9.61 H new ATOM 0 HG3 ARG A 11 -22.016 6.239 -0.142 1.00 9.61 H new ATOM 0 HD2 ARG A 11 -22.407 5.331 2.147 1.00 10.18 H new ATOM 0 HD3 ARG A 11 -23.839 6.082 1.470 1.00 10.18 H new ATOM 0 HE ARG A 11 -23.534 3.129 1.177 1.00 10.69 H new ATOM 0 HH11 ARG A 11 -25.128 5.896 2.702 1.00 11.75 H new ATOM 0 HH12 ARG A 11 -26.472 4.927 3.315 1.00 11.75 H new ATOM 0 HH21 ARG A 11 -25.273 1.899 1.962 1.00 12.04 H new ATOM 0 HH22 ARG A 11 -26.554 2.676 2.899 1.00 12.04 H new ATOM 203 N PRO A 12 -20.618 4.645 -3.146 1.00 8.19 N ATOM 204 CA PRO A 12 -19.415 3.838 -3.335 1.00 7.75 C ATOM 205 C PRO A 12 -18.703 3.554 -2.016 1.00 6.80 C ATOM 206 O PRO A 12 -17.744 4.234 -1.648 1.00 6.68 O ATOM 207 CB PRO A 12 -18.552 4.709 -4.244 1.00 8.08 C ATOM 208 CG PRO A 12 -18.953 6.108 -3.921 1.00 8.79 C ATOM 209 CD PRO A 12 -20.409 6.052 -3.541 1.00 8.66 C ATOM 0 HA PRO A 12 -19.634 2.855 -3.753 1.00 7.75 H new ATOM 0 HB2 PRO A 12 -17.491 4.548 -4.055 1.00 8.08 H new ATOM 0 HB3 PRO A 12 -18.727 4.480 -5.295 1.00 8.08 H new ATOM 0 HG2 PRO A 12 -18.352 6.506 -3.103 1.00 8.79 H new ATOM 0 HG3 PRO A 12 -18.799 6.764 -4.778 1.00 8.79 H new ATOM 0 HD2 PRO A 12 -20.635 6.735 -2.722 1.00 8.66 H new ATOM 0 HD3 PRO A 12 -21.051 6.332 -4.376 1.00 8.66 H new ATOM 217 N PHE A 13 -19.181 2.541 -1.308 1.00 6.42 N ATOM 218 CA PHE A 13 -18.651 2.201 0.005 1.00 5.76 C ATOM 219 C PHE A 13 -17.250 1.598 -0.087 1.00 4.90 C ATOM 220 O PHE A 13 -16.470 1.683 0.861 1.00 4.75 O ATOM 221 CB PHE A 13 -19.606 1.254 0.745 1.00 6.03 C ATOM 222 CG PHE A 13 -20.099 0.094 -0.077 1.00 7.08 C ATOM 223 CD1 PHE A 13 -19.361 -1.076 -0.172 1.00 7.73 C ATOM 224 CD2 PHE A 13 -21.310 0.170 -0.749 1.00 7.67 C ATOM 225 CE1 PHE A 13 -19.819 -2.142 -0.920 1.00 8.84 C ATOM 226 CE2 PHE A 13 -21.772 -0.894 -1.499 1.00 8.79 C ATOM 227 CZ PHE A 13 -21.025 -2.051 -1.584 1.00 9.33 C ATOM 0 H PHE A 13 -19.940 1.937 -1.623 1.00 6.42 H new ATOM 0 HA PHE A 13 -18.569 3.126 0.576 1.00 5.76 H new ATOM 0 HB2 PHE A 13 -19.100 0.867 1.629 1.00 6.03 H new ATOM 0 HB3 PHE A 13 -20.465 1.826 1.095 1.00 6.03 H new ATOM 0 HD1 PHE A 13 -18.416 -1.154 0.346 1.00 7.73 H new ATOM 0 HD2 PHE A 13 -21.899 1.073 -0.685 1.00 7.67 H new ATOM 0 HE1 PHE A 13 -19.233 -3.047 -0.985 1.00 8.84 H new ATOM 0 HE2 PHE A 13 -22.716 -0.820 -2.018 1.00 8.79 H new ATOM 0 HZ PHE A 13 -21.384 -2.884 -2.170 1.00 9.33 H new ATOM 237 N LYS A 14 -16.928 0.997 -1.226 1.00 4.79 N ATOM 238 CA LYS A 14 -15.598 0.438 -1.428 1.00 4.42 C ATOM 239 C LYS A 14 -14.587 1.538 -1.725 1.00 3.77 C ATOM 240 O LYS A 14 -13.399 1.403 -1.429 1.00 4.11 O ATOM 241 CB LYS A 14 -15.606 -0.600 -2.552 1.00 5.56 C ATOM 242 CG LYS A 14 -16.313 -1.895 -2.176 1.00 6.23 C ATOM 243 CD LYS A 14 -15.659 -2.548 -0.969 1.00 6.88 C ATOM 244 CE LYS A 14 -16.326 -3.863 -0.603 1.00 7.76 C ATOM 245 NZ LYS A 14 -15.694 -4.485 0.588 1.00 8.26 N ATOM 0 H LYS A 14 -17.563 0.885 -2.016 1.00 4.79 H new ATOM 0 HA LYS A 14 -15.301 -0.061 -0.505 1.00 4.42 H new ATOM 0 HB2 LYS A 14 -16.092 -0.171 -3.429 1.00 5.56 H new ATOM 0 HB3 LYS A 14 -14.578 -0.825 -2.835 1.00 5.56 H new ATOM 0 HG2 LYS A 14 -17.361 -1.690 -1.959 1.00 6.23 H new ATOM 0 HG3 LYS A 14 -16.291 -2.583 -3.021 1.00 6.23 H new ATOM 0 HD2 LYS A 14 -14.604 -2.723 -1.179 1.00 6.88 H new ATOM 0 HD3 LYS A 14 -15.707 -1.868 -0.118 1.00 6.88 H new ATOM 0 HE2 LYS A 14 -17.384 -3.692 -0.406 1.00 7.76 H new ATOM 0 HE3 LYS A 14 -16.266 -4.549 -1.448 1.00 7.76 H new ATOM 0 HZ1 LYS A 14 -16.175 -5.380 0.808 1.00 8.26 H new ATOM 0 HZ2 LYS A 14 -14.690 -4.671 0.391 1.00 8.26 H new ATOM 0 HZ3 LYS A 14 -15.774 -3.840 1.400 1.00 8.26 H new ATOM 259 N GLN A 15 -15.066 2.632 -2.297 1.00 3.29 N ATOM 260 CA GLN A 15 -14.215 3.779 -2.563 1.00 3.10 C ATOM 261 C GLN A 15 -14.225 4.706 -1.358 1.00 2.14 C ATOM 262 O GLN A 15 -14.958 5.697 -1.327 1.00 2.46 O ATOM 263 CB GLN A 15 -14.681 4.532 -3.809 1.00 3.83 C ATOM 264 CG GLN A 15 -14.773 3.663 -5.051 1.00 4.82 C ATOM 265 CD GLN A 15 -15.240 4.438 -6.267 1.00 5.82 C ATOM 266 OE1 GLN A 15 -15.975 5.420 -6.150 1.00 6.53 O ATOM 267 NE2 GLN A 15 -14.828 3.998 -7.442 1.00 6.14 N ATOM 0 H GLN A 15 -16.038 2.749 -2.585 1.00 3.29 H new ATOM 0 HA GLN A 15 -13.200 3.425 -2.745 1.00 3.10 H new ATOM 0 HB2 GLN A 15 -15.658 4.972 -3.612 1.00 3.83 H new ATOM 0 HB3 GLN A 15 -13.994 5.355 -4.003 1.00 3.83 H new ATOM 0 HG2 GLN A 15 -13.797 3.224 -5.257 1.00 4.82 H new ATOM 0 HG3 GLN A 15 -15.460 2.838 -4.864 1.00 4.82 H new ATOM 0 HE21 GLN A 15 -14.220 3.181 -7.496 1.00 6.14 H new ATOM 0 HE22 GLN A 15 -15.118 4.475 -8.296 1.00 6.14 H new ATOM 276 N ARG A 16 -13.426 4.362 -0.359 1.00 1.86 N ATOM 277 CA ARG A 16 -13.343 5.149 0.864 1.00 1.88 C ATOM 278 C ARG A 16 -12.784 6.531 0.565 1.00 1.53 C ATOM 279 O ARG A 16 -13.303 7.539 1.038 1.00 1.61 O ATOM 280 CB ARG A 16 -12.472 4.437 1.901 1.00 2.83 C ATOM 281 CG ARG A 16 -13.010 3.076 2.312 1.00 3.53 C ATOM 282 CD ARG A 16 -12.124 2.416 3.354 1.00 4.61 C ATOM 283 NE ARG A 16 -12.652 1.115 3.769 1.00 5.06 N ATOM 284 CZ ARG A 16 -12.013 0.273 4.581 1.00 6.06 C ATOM 285 NH1 ARG A 16 -10.829 0.597 5.084 1.00 6.69 N ATOM 286 NH2 ARG A 16 -12.564 -0.890 4.896 1.00 6.68 N ATOM 0 H ARG A 16 -12.823 3.539 -0.371 1.00 1.86 H new ATOM 0 HA ARG A 16 -14.347 5.259 1.273 1.00 1.88 H new ATOM 0 HB2 ARG A 16 -11.467 4.315 1.498 1.00 2.83 H new ATOM 0 HB3 ARG A 16 -12.386 5.067 2.786 1.00 2.83 H new ATOM 0 HG2 ARG A 16 -14.019 3.188 2.709 1.00 3.53 H new ATOM 0 HG3 ARG A 16 -13.082 2.433 1.435 1.00 3.53 H new ATOM 0 HD2 ARG A 16 -11.120 2.289 2.950 1.00 4.61 H new ATOM 0 HD3 ARG A 16 -12.038 3.068 4.223 1.00 4.61 H new ATOM 0 HE ARG A 16 -13.567 0.835 3.414 1.00 5.06 H new ATOM 0 HH11 ARG A 16 -10.404 1.494 4.850 1.00 6.69 H new ATOM 0 HH12 ARG A 16 -10.344 -0.051 5.705 1.00 6.69 H new ATOM 0 HH21 ARG A 16 -13.477 -1.141 4.517 1.00 6.68 H new ATOM 0 HH22 ARG A 16 -12.075 -1.534 5.517 1.00 6.68 H new ATOM 300 N LYS A 17 -11.731 6.572 -0.235 1.00 1.34 N ATOM 301 CA LYS A 17 -11.132 7.835 -0.638 1.00 1.09 C ATOM 302 C LYS A 17 -11.209 7.970 -2.152 1.00 1.00 C ATOM 303 O LYS A 17 -10.747 7.091 -2.879 1.00 1.08 O ATOM 304 CB LYS A 17 -9.670 7.915 -0.181 1.00 1.13 C ATOM 305 CG LYS A 17 -9.447 7.533 1.278 1.00 1.70 C ATOM 306 CD LYS A 17 -10.245 8.405 2.239 1.00 2.23 C ATOM 307 CE LYS A 17 -9.744 9.841 2.262 1.00 3.20 C ATOM 308 NZ LYS A 17 -10.526 10.682 3.206 1.00 3.96 N ATOM 0 H LYS A 17 -11.273 5.745 -0.619 1.00 1.34 H new ATOM 0 HA LYS A 17 -11.682 8.650 -0.168 1.00 1.09 H new ATOM 0 HB2 LYS A 17 -9.068 7.261 -0.812 1.00 1.13 H new ATOM 0 HB3 LYS A 17 -9.308 8.931 -0.338 1.00 1.13 H new ATOM 0 HG2 LYS A 17 -9.725 6.489 1.423 1.00 1.70 H new ATOM 0 HG3 LYS A 17 -8.386 7.616 1.514 1.00 1.70 H new ATOM 0 HD2 LYS A 17 -11.296 8.393 1.950 1.00 2.23 H new ATOM 0 HD3 LYS A 17 -10.185 7.985 3.243 1.00 2.23 H new ATOM 0 HE2 LYS A 17 -8.692 9.855 2.548 1.00 3.20 H new ATOM 0 HE3 LYS A 17 -9.807 10.264 1.260 1.00 3.20 H new ATOM 0 HZ1 LYS A 17 -10.155 11.654 3.194 1.00 3.96 H new ATOM 0 HZ2 LYS A 17 -11.525 10.689 2.918 1.00 3.96 H new ATOM 0 HZ3 LYS A 17 -10.445 10.292 4.167 1.00 3.96 H new ATOM 322 N SER A 18 -11.799 9.060 -2.621 1.00 0.92 N ATOM 323 CA SER A 18 -11.952 9.283 -4.051 1.00 0.91 C ATOM 324 C SER A 18 -10.624 9.696 -4.669 1.00 0.80 C ATOM 325 O SER A 18 -9.730 10.141 -3.953 1.00 0.72 O ATOM 326 CB SER A 18 -13.007 10.360 -4.315 1.00 0.97 C ATOM 327 OG SER A 18 -12.609 11.605 -3.772 1.00 0.91 O ATOM 0 H SER A 18 -12.179 9.802 -2.033 1.00 0.92 H new ATOM 0 HA SER A 18 -12.279 8.350 -4.510 1.00 0.91 H new ATOM 0 HB2 SER A 18 -13.167 10.462 -5.388 1.00 0.97 H new ATOM 0 HB3 SER A 18 -13.959 10.057 -3.878 1.00 0.97 H new ATOM 0 HG SER A 18 -13.298 12.277 -3.955 1.00 0.91 H new ATOM 333 N LEU A 19 -10.501 9.570 -5.983 1.00 0.83 N ATOM 334 CA LEU A 19 -9.258 9.902 -6.670 1.00 0.79 C ATOM 335 C LEU A 19 -8.852 11.337 -6.354 1.00 0.74 C ATOM 336 O LEU A 19 -7.702 11.620 -6.004 1.00 0.66 O ATOM 337 CB LEU A 19 -9.432 9.715 -8.182 1.00 0.91 C ATOM 338 CG LEU A 19 -8.309 10.281 -9.047 1.00 0.95 C ATOM 339 CD1 LEU A 19 -6.993 9.581 -8.754 1.00 0.91 C ATOM 340 CD2 LEU A 19 -8.664 10.161 -10.521 1.00 1.11 C ATOM 0 H LEU A 19 -11.247 9.240 -6.596 1.00 0.83 H new ATOM 0 HA LEU A 19 -8.469 9.235 -6.323 1.00 0.79 H new ATOM 0 HB2 LEU A 19 -9.526 8.649 -8.390 1.00 0.91 H new ATOM 0 HB3 LEU A 19 -10.370 10.182 -8.483 1.00 0.91 H new ATOM 0 HG LEU A 19 -8.190 11.337 -8.804 1.00 0.95 H new ATOM 0 HD11 LEU A 19 -6.209 10.002 -9.383 1.00 0.91 H new ATOM 0 HD12 LEU A 19 -6.732 9.722 -7.705 1.00 0.91 H new ATOM 0 HD13 LEU A 19 -7.093 8.516 -8.963 1.00 0.91 H new ATOM 0 HD21 LEU A 19 -7.853 10.569 -11.125 1.00 1.11 H new ATOM 0 HD22 LEU A 19 -8.813 9.112 -10.775 1.00 1.11 H new ATOM 0 HD23 LEU A 19 -9.580 10.716 -10.721 1.00 1.11 H new ATOM 352 N ALA A 20 -9.821 12.224 -6.459 1.00 0.80 N ATOM 353 CA ALA A 20 -9.623 13.632 -6.166 1.00 0.81 C ATOM 354 C ALA A 20 -9.191 13.862 -4.726 1.00 0.72 C ATOM 355 O ALA A 20 -8.214 14.571 -4.471 1.00 0.71 O ATOM 356 CB ALA A 20 -10.900 14.393 -6.468 1.00 0.94 C ATOM 0 H ALA A 20 -10.770 11.990 -6.750 1.00 0.80 H new ATOM 0 HA ALA A 20 -8.817 14.000 -6.800 1.00 0.81 H new ATOM 0 HB1 ALA A 20 -10.754 15.451 -6.249 1.00 0.94 H new ATOM 0 HB2 ALA A 20 -11.155 14.273 -7.521 1.00 0.94 H new ATOM 0 HB3 ALA A 20 -11.710 14.003 -5.852 1.00 0.94 H new ATOM 362 N ILE A 21 -9.904 13.260 -3.782 1.00 0.71 N ATOM 363 CA ILE A 21 -9.569 13.434 -2.378 1.00 0.69 C ATOM 364 C ILE A 21 -8.222 12.792 -2.051 1.00 0.56 C ATOM 365 O ILE A 21 -7.510 13.253 -1.167 1.00 0.53 O ATOM 366 CB ILE A 21 -10.674 12.893 -1.445 1.00 0.82 C ATOM 367 CG1 ILE A 21 -11.948 13.726 -1.618 1.00 0.97 C ATOM 368 CG2 ILE A 21 -10.212 12.922 0.006 1.00 0.88 C ATOM 369 CD1 ILE A 21 -13.100 13.268 -0.753 1.00 1.64 C ATOM 0 H ILE A 21 -10.706 12.656 -3.961 1.00 0.71 H new ATOM 0 HA ILE A 21 -9.492 14.507 -2.200 1.00 0.69 H new ATOM 0 HB ILE A 21 -10.886 11.858 -1.712 1.00 0.82 H new ATOM 0 HG12 ILE A 21 -11.724 14.767 -1.387 1.00 0.97 H new ATOM 0 HG13 ILE A 21 -12.255 13.691 -2.663 1.00 0.97 H new ATOM 0 HG21 ILE A 21 -11.004 12.537 0.648 1.00 0.88 H new ATOM 0 HG22 ILE A 21 -9.322 12.303 0.117 1.00 0.88 H new ATOM 0 HG23 ILE A 21 -9.979 13.947 0.293 1.00 0.88 H new ATOM 0 HD11 ILE A 21 -13.965 13.906 -0.932 1.00 1.64 H new ATOM 0 HD12 ILE A 21 -13.353 12.237 -1.000 1.00 1.64 H new ATOM 0 HD13 ILE A 21 -12.814 13.330 0.297 1.00 1.64 H new ATOM 381 N ARG A 22 -7.854 11.745 -2.783 1.00 0.52 N ATOM 382 CA ARG A 22 -6.557 11.105 -2.571 1.00 0.44 C ATOM 383 C ARG A 22 -5.444 12.078 -2.919 1.00 0.40 C ATOM 384 O ARG A 22 -4.432 12.154 -2.222 1.00 0.39 O ATOM 385 CB ARG A 22 -6.405 9.845 -3.418 1.00 0.45 C ATOM 386 CG ARG A 22 -7.346 8.719 -3.043 1.00 0.71 C ATOM 387 CD ARG A 22 -7.170 7.538 -3.979 1.00 1.22 C ATOM 388 NE ARG A 22 -8.196 6.518 -3.788 1.00 1.53 N ATOM 389 CZ ARG A 22 -8.144 5.312 -4.339 1.00 2.00 C ATOM 390 NH1 ARG A 22 -7.110 4.973 -5.099 1.00 2.59 N ATOM 391 NH2 ARG A 22 -9.128 4.446 -4.131 1.00 2.26 N ATOM 0 H ARG A 22 -8.424 11.326 -3.518 1.00 0.52 H new ATOM 0 HA ARG A 22 -6.495 10.819 -1.521 1.00 0.44 H new ATOM 0 HB2 ARG A 22 -6.567 10.104 -4.464 1.00 0.45 H new ATOM 0 HB3 ARG A 22 -5.379 9.487 -3.334 1.00 0.45 H new ATOM 0 HG2 ARG A 22 -7.156 8.407 -2.016 1.00 0.71 H new ATOM 0 HG3 ARG A 22 -8.377 9.071 -3.084 1.00 0.71 H new ATOM 0 HD2 ARG A 22 -7.198 7.889 -5.011 1.00 1.22 H new ATOM 0 HD3 ARG A 22 -6.187 7.095 -3.819 1.00 1.22 H new ATOM 0 HE ARG A 22 -8.997 6.745 -3.199 1.00 1.53 H new ATOM 0 HH11 ARG A 22 -6.355 5.640 -5.260 1.00 2.59 H new ATOM 0 HH12 ARG A 22 -7.070 4.046 -5.522 1.00 2.59 H new ATOM 0 HH21 ARG A 22 -9.923 4.708 -3.548 1.00 2.26 H new ATOM 0 HH22 ARG A 22 -9.089 3.519 -4.554 1.00 2.26 H new ATOM 405 N GLN A 23 -5.650 12.832 -3.992 1.00 0.46 N ATOM 406 CA GLN A 23 -4.711 13.864 -4.394 1.00 0.51 C ATOM 407 C GLN A 23 -4.606 14.916 -3.292 1.00 0.50 C ATOM 408 O GLN A 23 -3.546 15.495 -3.069 1.00 0.52 O ATOM 409 CB GLN A 23 -5.165 14.504 -5.712 1.00 0.68 C ATOM 410 CG GLN A 23 -4.172 15.495 -6.300 1.00 1.29 C ATOM 411 CD GLN A 23 -2.847 14.853 -6.662 1.00 1.51 C ATOM 412 OE1 GLN A 23 -1.922 14.813 -5.854 1.00 2.16 O ATOM 413 NE2 GLN A 23 -2.744 14.354 -7.884 1.00 1.97 N ATOM 0 H GLN A 23 -6.464 12.745 -4.600 1.00 0.46 H new ATOM 0 HA GLN A 23 -3.728 13.419 -4.551 1.00 0.51 H new ATOM 0 HB2 GLN A 23 -5.349 13.715 -6.441 1.00 0.68 H new ATOM 0 HB3 GLN A 23 -6.115 15.013 -5.547 1.00 0.68 H new ATOM 0 HG2 GLN A 23 -4.605 15.951 -7.190 1.00 1.29 H new ATOM 0 HG3 GLN A 23 -3.998 16.297 -5.583 1.00 1.29 H new ATOM 0 HE21 GLN A 23 -3.536 14.407 -8.525 1.00 1.97 H new ATOM 0 HE22 GLN A 23 -1.873 13.916 -8.184 1.00 1.97 H new ATOM 422 N GLU A 24 -5.716 15.134 -2.590 1.00 0.53 N ATOM 423 CA GLU A 24 -5.743 16.050 -1.459 1.00 0.59 C ATOM 424 C GLU A 24 -4.980 15.472 -0.279 1.00 0.55 C ATOM 425 O GLU A 24 -4.166 16.155 0.344 1.00 0.54 O ATOM 426 CB GLU A 24 -7.181 16.326 -1.039 1.00 0.71 C ATOM 427 CG GLU A 24 -7.968 17.127 -2.057 1.00 1.20 C ATOM 428 CD GLU A 24 -7.326 18.464 -2.354 1.00 2.01 C ATOM 429 OE1 GLU A 24 -7.515 19.407 -1.556 1.00 2.49 O ATOM 430 OE2 GLU A 24 -6.623 18.577 -3.382 1.00 2.83 O ATOM 0 H GLU A 24 -6.610 14.685 -2.788 1.00 0.53 H new ATOM 0 HA GLU A 24 -5.267 16.981 -1.768 1.00 0.59 H new ATOM 0 HB2 GLU A 24 -7.688 15.377 -0.865 1.00 0.71 H new ATOM 0 HB3 GLU A 24 -7.177 16.864 -0.091 1.00 0.71 H new ATOM 0 HG2 GLU A 24 -8.053 16.554 -2.980 1.00 1.20 H new ATOM 0 HG3 GLU A 24 -8.981 17.287 -1.687 1.00 1.20 H new ATOM 437 N GLU A 25 -5.265 14.215 0.024 1.00 0.56 N ATOM 438 CA GLU A 25 -4.604 13.509 1.117 1.00 0.56 C ATOM 439 C GLU A 25 -3.094 13.499 0.917 1.00 0.49 C ATOM 440 O GLU A 25 -2.342 13.857 1.820 1.00 0.50 O ATOM 441 CB GLU A 25 -5.106 12.064 1.195 1.00 0.62 C ATOM 442 CG GLU A 25 -6.603 11.929 1.420 1.00 1.29 C ATOM 443 CD GLU A 25 -7.041 12.410 2.785 1.00 1.57 C ATOM 444 OE1 GLU A 25 -6.902 11.642 3.761 1.00 1.87 O ATOM 445 OE2 GLU A 25 -7.541 13.546 2.888 1.00 2.30 O ATOM 0 H GLU A 25 -5.956 13.656 -0.476 1.00 0.56 H new ATOM 0 HA GLU A 25 -4.840 14.031 2.045 1.00 0.56 H new ATOM 0 HB2 GLU A 25 -4.842 11.551 0.270 1.00 0.62 H new ATOM 0 HB3 GLU A 25 -4.582 11.554 2.003 1.00 0.62 H new ATOM 0 HG2 GLU A 25 -7.133 12.496 0.654 1.00 1.29 H new ATOM 0 HG3 GLU A 25 -6.890 10.884 1.299 1.00 1.29 H new ATOM 452 N VAL A 26 -2.658 13.128 -0.282 1.00 0.44 N ATOM 453 CA VAL A 26 -1.235 13.059 -0.591 1.00 0.42 C ATOM 454 C VAL A 26 -0.622 14.451 -0.556 1.00 0.44 C ATOM 455 O VAL A 26 0.507 14.635 -0.102 1.00 0.46 O ATOM 456 CB VAL A 26 -0.989 12.393 -1.965 1.00 0.43 C ATOM 457 CG1 VAL A 26 -0.849 13.405 -3.095 1.00 1.21 C ATOM 458 CG2 VAL A 26 0.223 11.477 -1.901 1.00 0.85 C ATOM 0 H VAL A 26 -3.270 12.870 -1.056 1.00 0.44 H new ATOM 0 HA VAL A 26 -0.754 12.442 0.168 1.00 0.42 H new ATOM 0 HB VAL A 26 -1.872 11.797 -2.193 1.00 0.43 H new ATOM 0 HG11 VAL A 26 -0.678 12.880 -4.035 1.00 1.21 H new ATOM 0 HG12 VAL A 26 -1.762 13.995 -3.170 1.00 1.21 H new ATOM 0 HG13 VAL A 26 -0.006 14.065 -2.890 1.00 1.21 H new ATOM 0 HG21 VAL A 26 0.383 11.016 -2.876 1.00 0.85 H new ATOM 0 HG22 VAL A 26 1.104 12.057 -1.626 1.00 0.85 H new ATOM 0 HG23 VAL A 26 0.053 10.700 -1.156 1.00 0.85 H new ATOM 468 N ALA A 27 -1.386 15.423 -1.028 1.00 0.46 N ATOM 469 CA ALA A 27 -0.972 16.819 -0.978 1.00 0.51 C ATOM 470 C ALA A 27 -0.763 17.256 0.463 1.00 0.54 C ATOM 471 O ALA A 27 0.241 17.885 0.793 1.00 0.59 O ATOM 472 CB ALA A 27 -1.998 17.709 -1.661 1.00 0.55 C ATOM 0 H ALA A 27 -2.301 15.271 -1.452 1.00 0.46 H new ATOM 0 HA ALA A 27 -0.027 16.917 -1.512 1.00 0.51 H new ATOM 0 HB1 ALA A 27 -1.669 18.747 -1.612 1.00 0.55 H new ATOM 0 HB2 ALA A 27 -2.102 17.410 -2.704 1.00 0.55 H new ATOM 0 HB3 ALA A 27 -2.959 17.609 -1.157 1.00 0.55 H new ATOM 478 N GLY A 28 -1.711 16.898 1.321 1.00 0.54 N ATOM 479 CA GLY A 28 -1.616 17.237 2.726 1.00 0.59 C ATOM 480 C GLY A 28 -0.493 16.497 3.423 1.00 0.58 C ATOM 481 O GLY A 28 0.223 17.068 4.244 1.00 0.65 O ATOM 0 H GLY A 28 -2.549 16.375 1.065 1.00 0.54 H new ATOM 0 HA2 GLY A 28 -1.459 18.311 2.828 1.00 0.59 H new ATOM 0 HA3 GLY A 28 -2.561 17.005 3.218 1.00 0.59 H new ATOM 485 N ILE A 29 -0.341 15.220 3.099 1.00 0.52 N ATOM 486 CA ILE A 29 0.727 14.409 3.665 1.00 0.53 C ATOM 487 C ILE A 29 2.091 14.953 3.254 1.00 0.53 C ATOM 488 O ILE A 29 2.964 15.140 4.091 1.00 0.58 O ATOM 489 CB ILE A 29 0.602 12.929 3.235 1.00 0.51 C ATOM 490 CG1 ILE A 29 -0.688 12.325 3.796 1.00 0.53 C ATOM 491 CG2 ILE A 29 1.811 12.127 3.704 1.00 0.57 C ATOM 492 CD1 ILE A 29 -1.052 10.989 3.182 1.00 0.53 C ATOM 0 H ILE A 29 -0.946 14.723 2.445 1.00 0.52 H new ATOM 0 HA ILE A 29 0.634 14.459 4.750 1.00 0.53 H new ATOM 0 HB ILE A 29 0.566 12.887 2.146 1.00 0.51 H new ATOM 0 HG12 ILE A 29 -0.583 12.203 4.874 1.00 0.53 H new ATOM 0 HG13 ILE A 29 -1.507 13.025 3.633 1.00 0.53 H new ATOM 0 HG21 ILE A 29 1.702 11.089 3.391 1.00 0.57 H new ATOM 0 HG22 ILE A 29 2.717 12.545 3.266 1.00 0.57 H new ATOM 0 HG23 ILE A 29 1.879 12.173 4.791 1.00 0.57 H new ATOM 0 HD11 ILE A 29 -1.977 10.623 3.629 1.00 0.53 H new ATOM 0 HD12 ILE A 29 -1.190 11.108 2.107 1.00 0.53 H new ATOM 0 HD13 ILE A 29 -0.251 10.273 3.368 1.00 0.53 H new ATOM 504 N ARG A 30 2.254 15.237 1.970 1.00 0.53 N ATOM 505 CA ARG A 30 3.527 15.723 1.447 1.00 0.59 C ATOM 506 C ARG A 30 3.809 17.156 1.914 1.00 0.67 C ATOM 507 O ARG A 30 4.965 17.578 1.996 1.00 0.74 O ATOM 508 CB ARG A 30 3.528 15.628 -0.084 1.00 0.66 C ATOM 509 CG ARG A 30 4.846 16.017 -0.739 1.00 1.04 C ATOM 510 CD ARG A 30 4.902 15.556 -2.190 1.00 1.50 C ATOM 511 NE ARG A 30 3.759 16.034 -2.971 1.00 1.96 N ATOM 512 CZ ARG A 30 3.291 15.426 -4.065 1.00 2.66 C ATOM 513 NH1 ARG A 30 3.851 14.304 -4.505 1.00 3.06 N ATOM 514 NH2 ARG A 30 2.251 15.936 -4.712 1.00 3.31 N ATOM 0 H ARG A 30 1.520 15.140 1.268 1.00 0.53 H new ATOM 0 HA ARG A 30 4.328 15.095 1.837 1.00 0.59 H new ATOM 0 HB2 ARG A 30 3.281 14.606 -0.372 1.00 0.66 H new ATOM 0 HB3 ARG A 30 2.739 16.269 -0.476 1.00 0.66 H new ATOM 0 HG2 ARG A 30 4.971 17.099 -0.694 1.00 1.04 H new ATOM 0 HG3 ARG A 30 5.674 15.577 -0.183 1.00 1.04 H new ATOM 0 HD2 ARG A 30 5.825 15.913 -2.646 1.00 1.50 H new ATOM 0 HD3 ARG A 30 4.931 14.467 -2.222 1.00 1.50 H new ATOM 0 HE ARG A 30 3.290 16.885 -2.660 1.00 1.96 H new ATOM 0 HH11 ARG A 30 4.644 13.900 -4.007 1.00 3.06 H new ATOM 0 HH12 ARG A 30 3.487 13.846 -5.341 1.00 3.06 H new ATOM 0 HH21 ARG A 30 1.810 16.791 -4.374 1.00 3.31 H new ATOM 0 HH22 ARG A 30 1.893 15.473 -5.547 1.00 3.31 H new ATOM 528 N ALA A 31 2.755 17.896 2.236 1.00 0.69 N ATOM 529 CA ALA A 31 2.907 19.262 2.727 1.00 0.81 C ATOM 530 C ALA A 31 3.318 19.273 4.195 1.00 0.80 C ATOM 531 O ALA A 31 4.005 20.186 4.652 1.00 0.90 O ATOM 532 CB ALA A 31 1.620 20.049 2.538 1.00 0.91 C ATOM 0 H ALA A 31 1.789 17.576 2.167 1.00 0.69 H new ATOM 0 HA ALA A 31 3.696 19.738 2.145 1.00 0.81 H new ATOM 0 HB1 ALA A 31 1.756 21.064 2.911 1.00 0.91 H new ATOM 0 HB2 ALA A 31 1.366 20.083 1.478 1.00 0.91 H new ATOM 0 HB3 ALA A 31 0.813 19.565 3.089 1.00 0.91 H new ATOM 538 N LYS A 32 2.889 18.259 4.931 1.00 0.71 N ATOM 539 CA LYS A 32 3.218 18.149 6.347 1.00 0.74 C ATOM 540 C LYS A 32 4.486 17.329 6.548 1.00 0.67 C ATOM 541 O LYS A 32 5.316 17.647 7.397 1.00 0.67 O ATOM 542 CB LYS A 32 2.056 17.521 7.122 1.00 0.78 C ATOM 543 CG LYS A 32 1.023 18.522 7.626 1.00 1.55 C ATOM 544 CD LYS A 32 0.383 19.320 6.500 1.00 1.87 C ATOM 545 CE LYS A 32 -0.629 20.322 7.035 1.00 2.30 C ATOM 546 NZ LYS A 32 -0.018 21.254 8.019 1.00 3.00 N ATOM 0 H LYS A 32 2.311 17.499 4.572 1.00 0.71 H new ATOM 0 HA LYS A 32 3.393 19.154 6.731 1.00 0.74 H new ATOM 0 HB2 LYS A 32 1.557 16.795 6.480 1.00 0.78 H new ATOM 0 HB3 LYS A 32 2.458 16.972 7.973 1.00 0.78 H new ATOM 0 HG2 LYS A 32 0.247 17.991 8.177 1.00 1.55 H new ATOM 0 HG3 LYS A 32 1.499 19.208 8.327 1.00 1.55 H new ATOM 0 HD2 LYS A 32 1.156 19.846 5.939 1.00 1.87 H new ATOM 0 HD3 LYS A 32 -0.109 18.640 5.804 1.00 1.87 H new ATOM 0 HE2 LYS A 32 -1.048 20.893 6.206 1.00 2.30 H new ATOM 0 HE3 LYS A 32 -1.455 19.788 7.505 1.00 2.30 H new ATOM 0 HZ1 LYS A 32 -0.643 22.074 8.155 1.00 3.00 H new ATOM 0 HZ2 LYS A 32 0.113 20.764 8.927 1.00 3.00 H new ATOM 0 HZ3 LYS A 32 0.904 21.578 7.664 1.00 3.00 H new ATOM 560 N PHE A 33 4.627 16.274 5.761 1.00 0.62 N ATOM 561 CA PHE A 33 5.776 15.386 5.852 1.00 0.56 C ATOM 562 C PHE A 33 6.413 15.211 4.474 1.00 0.50 C ATOM 563 O PHE A 33 6.103 14.261 3.756 1.00 0.47 O ATOM 564 CB PHE A 33 5.353 14.016 6.397 1.00 0.56 C ATOM 565 CG PHE A 33 4.533 14.082 7.655 1.00 0.68 C ATOM 566 CD1 PHE A 33 5.134 14.318 8.880 1.00 1.21 C ATOM 567 CD2 PHE A 33 3.158 13.910 7.609 1.00 1.42 C ATOM 568 CE1 PHE A 33 4.380 14.381 10.035 1.00 1.30 C ATOM 569 CE2 PHE A 33 2.400 13.972 8.760 1.00 1.49 C ATOM 570 CZ PHE A 33 3.011 14.209 9.975 1.00 0.93 C ATOM 0 H PHE A 33 3.951 16.010 5.044 1.00 0.62 H new ATOM 0 HA PHE A 33 6.502 15.830 6.533 1.00 0.56 H new ATOM 0 HB2 PHE A 33 4.781 13.493 5.631 1.00 0.56 H new ATOM 0 HB3 PHE A 33 6.246 13.422 6.589 1.00 0.56 H new ATOM 0 HD1 PHE A 33 6.204 14.454 8.933 1.00 1.21 H new ATOM 0 HD2 PHE A 33 2.675 13.725 6.661 1.00 1.42 H new ATOM 0 HE1 PHE A 33 4.860 14.565 10.985 1.00 1.30 H new ATOM 0 HE2 PHE A 33 1.330 13.835 8.711 1.00 1.49 H new ATOM 0 HZ PHE A 33 2.419 14.260 10.877 1.00 0.93 H new ATOM 580 N PRO A 34 7.305 16.130 4.081 1.00 0.55 N ATOM 581 CA PRO A 34 7.952 16.090 2.765 1.00 0.55 C ATOM 582 C PRO A 34 8.972 14.963 2.640 1.00 0.48 C ATOM 583 O PRO A 34 9.251 14.476 1.544 1.00 0.52 O ATOM 584 CB PRO A 34 8.656 17.442 2.676 1.00 0.68 C ATOM 585 CG PRO A 34 8.898 17.841 4.090 1.00 0.74 C ATOM 586 CD PRO A 34 7.748 17.287 4.882 1.00 0.66 C ATOM 0 HA PRO A 34 7.229 15.908 1.970 1.00 0.55 H new ATOM 0 HB2 PRO A 34 9.591 17.365 2.122 1.00 0.68 H new ATOM 0 HB3 PRO A 34 8.038 18.176 2.158 1.00 0.68 H new ATOM 0 HG2 PRO A 34 9.847 17.443 4.450 1.00 0.74 H new ATOM 0 HG3 PRO A 34 8.950 18.926 4.185 1.00 0.74 H new ATOM 0 HD2 PRO A 34 8.057 16.987 5.883 1.00 0.66 H new ATOM 0 HD3 PRO A 34 6.952 18.022 5.001 1.00 0.66 H new ATOM 594 N ASN A 35 9.526 14.553 3.771 1.00 0.44 N ATOM 595 CA ASN A 35 10.587 13.555 3.778 1.00 0.44 C ATOM 596 C ASN A 35 10.037 12.164 4.069 1.00 0.38 C ATOM 597 O ASN A 35 10.762 11.172 3.990 1.00 0.43 O ATOM 598 CB ASN A 35 11.659 13.917 4.808 1.00 0.54 C ATOM 599 CG ASN A 35 12.280 15.286 4.571 1.00 1.32 C ATOM 600 OD1 ASN A 35 12.308 15.730 3.321 1.00 2.16 O flip ATOM 601 ND2 ASN A 35 12.734 15.941 5.510 1.00 1.83 N flip ATOM 0 H ASN A 35 9.260 14.895 4.695 1.00 0.44 H new ATOM 0 HA ASN A 35 11.036 13.545 2.785 1.00 0.44 H new ATOM 0 HB2 ASN A 35 11.219 13.893 5.805 1.00 0.54 H new ATOM 0 HB3 ASN A 35 12.444 13.161 4.787 1.00 0.54 H new ATOM 0 HD21 ASN A 35 12.695 15.567 6.458 1.00 1.83 H new ATOM 0 HD22 ASN A 35 13.149 16.857 5.339 1.00 1.83 H new ATOM 608 N LYS A 36 8.760 12.091 4.415 1.00 0.36 N ATOM 609 CA LYS A 36 8.119 10.807 4.654 1.00 0.40 C ATOM 610 C LYS A 36 7.297 10.394 3.443 1.00 0.36 C ATOM 611 O LYS A 36 6.613 11.212 2.834 1.00 0.56 O ATOM 612 CB LYS A 36 7.236 10.849 5.903 1.00 0.54 C ATOM 613 CG LYS A 36 7.987 11.236 7.165 1.00 0.89 C ATOM 614 CD LYS A 36 7.126 11.052 8.404 1.00 1.58 C ATOM 615 CE LYS A 36 7.810 11.591 9.653 1.00 1.56 C ATOM 616 NZ LYS A 36 9.132 10.952 9.895 1.00 2.03 N ATOM 0 H LYS A 36 8.151 12.900 4.536 1.00 0.36 H new ATOM 0 HA LYS A 36 8.903 10.068 4.821 1.00 0.40 H new ATOM 0 HB2 LYS A 36 6.425 11.559 5.741 1.00 0.54 H new ATOM 0 HB3 LYS A 36 6.779 9.870 6.048 1.00 0.54 H new ATOM 0 HG2 LYS A 36 8.888 10.630 7.254 1.00 0.89 H new ATOM 0 HG3 LYS A 36 8.308 12.275 7.095 1.00 0.89 H new ATOM 0 HD2 LYS A 36 6.173 11.561 8.263 1.00 1.58 H new ATOM 0 HD3 LYS A 36 6.905 9.993 8.539 1.00 1.58 H new ATOM 0 HE2 LYS A 36 7.943 12.668 9.555 1.00 1.56 H new ATOM 0 HE3 LYS A 36 7.166 11.426 10.517 1.00 1.56 H new ATOM 0 HZ1 LYS A 36 9.504 11.263 10.815 1.00 2.03 H new ATOM 0 HZ2 LYS A 36 9.023 9.918 9.897 1.00 2.03 H new ATOM 0 HZ3 LYS A 36 9.794 11.229 9.142 1.00 2.03 H new ATOM 630 N ILE A 37 7.376 9.124 3.101 1.00 0.26 N ATOM 631 CA ILE A 37 6.721 8.602 1.917 1.00 0.27 C ATOM 632 C ILE A 37 5.466 7.814 2.286 1.00 0.24 C ATOM 633 O ILE A 37 5.533 6.852 3.055 1.00 0.26 O ATOM 634 CB ILE A 37 7.688 7.697 1.127 1.00 0.37 C ATOM 635 CG1 ILE A 37 8.906 8.510 0.684 1.00 0.42 C ATOM 636 CG2 ILE A 37 6.990 7.066 -0.071 1.00 0.45 C ATOM 637 CD1 ILE A 37 10.021 7.671 0.103 1.00 0.58 C ATOM 0 H ILE A 37 7.894 8.426 3.634 1.00 0.26 H new ATOM 0 HA ILE A 37 6.428 9.448 1.295 1.00 0.27 H new ATOM 0 HB ILE A 37 8.021 6.887 1.776 1.00 0.37 H new ATOM 0 HG12 ILE A 37 8.591 9.243 -0.058 1.00 0.42 H new ATOM 0 HG13 ILE A 37 9.290 9.066 1.539 1.00 0.42 H new ATOM 0 HG21 ILE A 37 7.694 6.433 -0.611 1.00 0.45 H new ATOM 0 HG22 ILE A 37 6.150 6.463 0.273 1.00 0.45 H new ATOM 0 HG23 ILE A 37 6.625 7.850 -0.734 1.00 0.45 H new ATOM 0 HD11 ILE A 37 10.849 8.317 -0.188 1.00 0.58 H new ATOM 0 HD12 ILE A 37 10.364 6.955 0.850 1.00 0.58 H new ATOM 0 HD13 ILE A 37 9.655 7.135 -0.772 1.00 0.58 H new ATOM 649 N PRO A 38 4.304 8.229 1.756 1.00 0.27 N ATOM 650 CA PRO A 38 3.045 7.524 1.967 1.00 0.30 C ATOM 651 C PRO A 38 2.873 6.346 1.007 1.00 0.25 C ATOM 652 O PRO A 38 2.562 6.519 -0.178 1.00 0.26 O ATOM 653 CB PRO A 38 1.999 8.603 1.695 1.00 0.44 C ATOM 654 CG PRO A 38 2.637 9.521 0.704 1.00 0.53 C ATOM 655 CD PRO A 38 4.129 9.436 0.924 1.00 0.36 C ATOM 0 HA PRO A 38 2.976 7.085 2.962 1.00 0.30 H new ATOM 0 HB2 PRO A 38 1.081 8.171 1.298 1.00 0.44 H new ATOM 0 HB3 PRO A 38 1.732 9.133 2.609 1.00 0.44 H new ATOM 0 HG2 PRO A 38 2.380 9.229 -0.314 1.00 0.53 H new ATOM 0 HG3 PRO A 38 2.284 10.543 0.841 1.00 0.53 H new ATOM 0 HD2 PRO A 38 4.667 9.350 -0.020 1.00 0.36 H new ATOM 0 HD3 PRO A 38 4.509 10.325 1.427 1.00 0.36 H new ATOM 663 N VAL A 39 3.084 5.147 1.521 1.00 0.23 N ATOM 664 CA VAL A 39 2.928 3.946 0.722 1.00 0.22 C ATOM 665 C VAL A 39 1.715 3.145 1.193 1.00 0.22 C ATOM 666 O VAL A 39 1.515 2.941 2.393 1.00 0.25 O ATOM 667 CB VAL A 39 4.206 3.069 0.756 1.00 0.25 C ATOM 668 CG1 VAL A 39 4.583 2.694 2.179 1.00 1.39 C ATOM 669 CG2 VAL A 39 4.032 1.823 -0.096 1.00 1.28 C ATOM 0 H VAL A 39 3.364 4.980 2.488 1.00 0.23 H new ATOM 0 HA VAL A 39 2.766 4.253 -0.311 1.00 0.22 H new ATOM 0 HB VAL A 39 5.021 3.660 0.338 1.00 0.25 H new ATOM 0 HG11 VAL A 39 5.483 2.079 2.167 1.00 1.39 H new ATOM 0 HG12 VAL A 39 4.770 3.599 2.757 1.00 1.39 H new ATOM 0 HG13 VAL A 39 3.767 2.134 2.636 1.00 1.39 H new ATOM 0 HG21 VAL A 39 4.942 1.225 -0.056 1.00 1.28 H new ATOM 0 HG22 VAL A 39 3.195 1.237 0.283 1.00 1.28 H new ATOM 0 HG23 VAL A 39 3.834 2.113 -1.128 1.00 1.28 H new ATOM 679 N VAL A 40 0.892 2.724 0.243 1.00 0.26 N ATOM 680 CA VAL A 40 -0.286 1.932 0.547 1.00 0.28 C ATOM 681 C VAL A 40 -0.049 0.484 0.145 1.00 0.28 C ATOM 682 O VAL A 40 0.002 0.154 -1.041 1.00 0.34 O ATOM 683 CB VAL A 40 -1.543 2.471 -0.176 1.00 0.33 C ATOM 684 CG1 VAL A 40 -2.773 1.660 0.207 1.00 0.38 C ATOM 685 CG2 VAL A 40 -1.755 3.943 0.142 1.00 0.40 C ATOM 0 H VAL A 40 1.022 2.920 -0.749 1.00 0.26 H new ATOM 0 HA VAL A 40 -0.463 1.998 1.621 1.00 0.28 H new ATOM 0 HB VAL A 40 -1.387 2.371 -1.250 1.00 0.33 H new ATOM 0 HG11 VAL A 40 -3.646 2.056 -0.312 1.00 0.38 H new ATOM 0 HG12 VAL A 40 -2.624 0.618 -0.075 1.00 0.38 H new ATOM 0 HG13 VAL A 40 -2.931 1.725 1.284 1.00 0.38 H new ATOM 0 HG21 VAL A 40 -2.644 4.303 -0.376 1.00 0.40 H new ATOM 0 HG22 VAL A 40 -1.886 4.068 1.217 1.00 0.40 H new ATOM 0 HG23 VAL A 40 -0.887 4.515 -0.187 1.00 0.40 H new ATOM 695 N VAL A 41 0.111 -0.369 1.138 1.00 0.30 N ATOM 696 CA VAL A 41 0.396 -1.772 0.905 1.00 0.32 C ATOM 697 C VAL A 41 -0.856 -2.606 1.118 1.00 0.44 C ATOM 698 O VAL A 41 -1.462 -2.575 2.191 1.00 0.64 O ATOM 699 CB VAL A 41 1.514 -2.279 1.841 1.00 0.47 C ATOM 700 CG1 VAL A 41 1.880 -3.720 1.516 1.00 0.50 C ATOM 701 CG2 VAL A 41 2.736 -1.383 1.749 1.00 1.03 C ATOM 0 H VAL A 41 0.048 -0.112 2.123 1.00 0.30 H new ATOM 0 HA VAL A 41 0.733 -1.874 -0.127 1.00 0.32 H new ATOM 0 HB VAL A 41 1.141 -2.246 2.865 1.00 0.47 H new ATOM 0 HG11 VAL A 41 2.670 -4.055 2.188 1.00 0.50 H new ATOM 0 HG12 VAL A 41 1.003 -4.355 1.641 1.00 0.50 H new ATOM 0 HG13 VAL A 41 2.230 -3.783 0.486 1.00 0.50 H new ATOM 0 HG21 VAL A 41 3.513 -1.757 2.416 1.00 1.03 H new ATOM 0 HG22 VAL A 41 3.108 -1.380 0.725 1.00 1.03 H new ATOM 0 HG23 VAL A 41 2.466 -0.368 2.040 1.00 1.03 H new ATOM 711 N GLU A 42 -1.252 -3.331 0.085 1.00 0.44 N ATOM 712 CA GLU A 42 -2.407 -4.207 0.158 1.00 0.64 C ATOM 713 C GLU A 42 -2.025 -5.599 -0.316 1.00 0.47 C ATOM 714 O GLU A 42 -1.071 -5.764 -1.083 1.00 0.36 O ATOM 715 CB GLU A 42 -3.555 -3.659 -0.692 1.00 0.94 C ATOM 716 CG GLU A 42 -4.005 -2.266 -0.280 1.00 1.44 C ATOM 717 CD GLU A 42 -5.275 -1.838 -0.979 1.00 1.67 C ATOM 718 OE1 GLU A 42 -5.207 -1.442 -2.158 1.00 1.86 O ATOM 719 OE2 GLU A 42 -6.352 -1.898 -0.351 1.00 2.43 O ATOM 0 H GLU A 42 -0.785 -3.329 -0.822 1.00 0.44 H new ATOM 0 HA GLU A 42 -2.742 -4.258 1.194 1.00 0.64 H new ATOM 0 HB2 GLU A 42 -3.245 -3.638 -1.737 1.00 0.94 H new ATOM 0 HB3 GLU A 42 -4.403 -4.340 -0.625 1.00 0.94 H new ATOM 0 HG2 GLU A 42 -4.162 -2.242 0.798 1.00 1.44 H new ATOM 0 HG3 GLU A 42 -3.213 -1.551 -0.503 1.00 1.44 H new ATOM 726 N ARG A 43 -2.752 -6.599 0.153 1.00 0.54 N ATOM 727 CA ARG A 43 -2.462 -7.974 -0.208 1.00 0.47 C ATOM 728 C ARG A 43 -2.985 -8.277 -1.604 1.00 0.50 C ATOM 729 O ARG A 43 -3.937 -7.646 -2.073 1.00 0.60 O ATOM 730 CB ARG A 43 -3.056 -8.953 0.808 1.00 0.64 C ATOM 731 CG ARG A 43 -4.567 -9.094 0.740 1.00 1.11 C ATOM 732 CD ARG A 43 -5.049 -10.141 1.723 1.00 1.08 C ATOM 733 NE ARG A 43 -6.469 -10.446 1.569 1.00 1.40 N ATOM 734 CZ ARG A 43 -7.007 -11.616 1.904 1.00 1.48 C ATOM 735 NH1 ARG A 43 -6.242 -12.583 2.403 1.00 1.49 N ATOM 736 NH2 ARG A 43 -8.307 -11.826 1.739 1.00 2.32 N ATOM 0 H ARG A 43 -3.546 -6.484 0.783 1.00 0.54 H new ATOM 0 HA ARG A 43 -1.379 -8.101 -0.202 1.00 0.47 H new ATOM 0 HB2 ARG A 43 -2.605 -9.934 0.655 1.00 0.64 H new ATOM 0 HB3 ARG A 43 -2.779 -8.628 1.811 1.00 0.64 H new ATOM 0 HG2 ARG A 43 -5.037 -8.136 0.961 1.00 1.11 H new ATOM 0 HG3 ARG A 43 -4.867 -9.371 -0.271 1.00 1.11 H new ATOM 0 HD2 ARG A 43 -4.469 -11.054 1.589 1.00 1.08 H new ATOM 0 HD3 ARG A 43 -4.864 -9.792 2.739 1.00 1.08 H new ATOM 0 HE ARG A 43 -7.080 -9.725 1.185 1.00 1.40 H new ATOM 0 HH11 ARG A 43 -5.242 -12.428 2.529 1.00 1.49 H new ATOM 0 HH12 ARG A 43 -6.656 -13.479 2.659 1.00 1.49 H new ATOM 0 HH21 ARG A 43 -8.898 -11.089 1.354 1.00 2.32 H new ATOM 0 HH22 ARG A 43 -8.715 -12.724 1.997 1.00 2.32 H new ATOM 750 N TYR A 44 -2.328 -9.224 -2.260 1.00 0.51 N ATOM 751 CA TYR A 44 -2.683 -9.629 -3.612 1.00 0.65 C ATOM 752 C TYR A 44 -4.158 -9.998 -3.694 1.00 0.80 C ATOM 753 O TYR A 44 -4.665 -10.743 -2.856 1.00 0.91 O ATOM 754 CB TYR A 44 -1.827 -10.824 -4.028 1.00 0.80 C ATOM 755 CG TYR A 44 -1.487 -10.854 -5.497 1.00 0.93 C ATOM 756 CD1 TYR A 44 -0.504 -10.024 -6.006 1.00 1.61 C ATOM 757 CD2 TYR A 44 -2.141 -11.713 -6.369 1.00 1.45 C ATOM 758 CE1 TYR A 44 -0.176 -10.042 -7.341 1.00 1.74 C ATOM 759 CE2 TYR A 44 -1.820 -11.739 -7.711 1.00 1.53 C ATOM 760 CZ TYR A 44 -0.837 -10.901 -8.194 1.00 1.23 C ATOM 761 OH TYR A 44 -0.509 -10.927 -9.530 1.00 1.40 O ATOM 0 H TYR A 44 -1.535 -9.732 -1.870 1.00 0.51 H new ATOM 0 HA TYR A 44 -2.499 -8.793 -4.287 1.00 0.65 H new ATOM 0 HB2 TYR A 44 -0.902 -10.813 -3.452 1.00 0.80 H new ATOM 0 HB3 TYR A 44 -2.353 -11.743 -3.769 1.00 0.80 H new ATOM 0 HD1 TYR A 44 0.016 -9.349 -5.342 1.00 1.61 H new ATOM 0 HD2 TYR A 44 -2.911 -12.370 -5.992 1.00 1.45 H new ATOM 0 HE1 TYR A 44 0.595 -9.387 -7.720 1.00 1.74 H new ATOM 0 HE2 TYR A 44 -2.336 -12.412 -8.380 1.00 1.53 H new ATOM 0 HH TYR A 44 0.436 -11.166 -9.630 1.00 1.40 H new ATOM 771 N PRO A 45 -4.859 -9.492 -4.720 1.00 0.96 N ATOM 772 CA PRO A 45 -6.305 -9.699 -4.886 1.00 1.22 C ATOM 773 C PRO A 45 -6.685 -11.169 -5.085 1.00 1.26 C ATOM 774 O PRO A 45 -7.868 -11.508 -5.122 1.00 1.48 O ATOM 775 CB PRO A 45 -6.648 -8.884 -6.138 1.00 1.41 C ATOM 776 CG PRO A 45 -5.358 -8.724 -6.863 1.00 1.32 C ATOM 777 CD PRO A 45 -4.299 -8.660 -5.801 1.00 1.05 C ATOM 0 HA PRO A 45 -6.852 -9.392 -3.995 1.00 1.22 H new ATOM 0 HB2 PRO A 45 -7.385 -9.399 -6.754 1.00 1.41 H new ATOM 0 HB3 PRO A 45 -7.074 -7.916 -5.874 1.00 1.41 H new ATOM 0 HG2 PRO A 45 -5.183 -9.560 -7.540 1.00 1.32 H new ATOM 0 HG3 PRO A 45 -5.360 -7.818 -7.469 1.00 1.32 H new ATOM 0 HD2 PRO A 45 -3.346 -9.051 -6.158 1.00 1.05 H new ATOM 0 HD3 PRO A 45 -4.120 -7.637 -5.471 1.00 1.05 H new ATOM 785 N ARG A 46 -5.688 -12.032 -5.242 1.00 1.19 N ATOM 786 CA ARG A 46 -5.938 -13.460 -5.407 1.00 1.41 C ATOM 787 C ARG A 46 -5.230 -14.257 -4.311 1.00 1.33 C ATOM 788 O ARG A 46 -5.131 -15.484 -4.385 1.00 1.52 O ATOM 789 CB ARG A 46 -5.461 -13.939 -6.783 1.00 1.62 C ATOM 790 CG ARG A 46 -5.944 -13.081 -7.945 1.00 2.05 C ATOM 791 CD ARG A 46 -7.460 -12.983 -7.998 1.00 2.15 C ATOM 792 NE ARG A 46 -7.905 -12.104 -9.078 1.00 2.69 N ATOM 793 CZ ARG A 46 -8.658 -11.016 -8.908 1.00 3.29 C ATOM 794 NH1 ARG A 46 -9.070 -10.660 -7.694 1.00 3.38 N ATOM 795 NH2 ARG A 46 -8.995 -10.279 -9.958 1.00 4.16 N ATOM 0 H ARG A 46 -4.702 -11.770 -5.259 1.00 1.19 H new ATOM 0 HA ARG A 46 -7.013 -13.625 -5.330 1.00 1.41 H new ATOM 0 HB2 ARG A 46 -4.371 -13.960 -6.790 1.00 1.62 H new ATOM 0 HB3 ARG A 46 -5.801 -14.963 -6.937 1.00 1.62 H new ATOM 0 HG2 ARG A 46 -5.520 -12.081 -7.856 1.00 2.05 H new ATOM 0 HG3 ARG A 46 -5.576 -13.501 -8.881 1.00 2.05 H new ATOM 0 HD2 ARG A 46 -7.885 -13.977 -8.139 1.00 2.15 H new ATOM 0 HD3 ARG A 46 -7.834 -12.608 -7.045 1.00 2.15 H new ATOM 0 HE ARG A 46 -7.620 -12.339 -10.029 1.00 2.69 H new ATOM 0 HH11 ARG A 46 -8.810 -11.221 -6.883 1.00 3.38 H new ATOM 0 HH12 ARG A 46 -9.645 -9.826 -7.575 1.00 3.38 H new ATOM 0 HH21 ARG A 46 -8.679 -10.545 -10.890 1.00 4.16 H new ATOM 0 HH22 ARG A 46 -9.571 -9.446 -9.833 1.00 4.16 H new ATOM 809 N GLU A 47 -4.737 -13.551 -3.300 1.00 1.17 N ATOM 810 CA GLU A 47 -4.014 -14.183 -2.201 1.00 1.13 C ATOM 811 C GLU A 47 -4.979 -14.620 -1.101 1.00 1.30 C ATOM 812 O GLU A 47 -6.036 -14.018 -0.905 1.00 1.48 O ATOM 813 CB GLU A 47 -2.958 -13.220 -1.640 1.00 1.09 C ATOM 814 CG GLU A 47 -2.121 -13.791 -0.507 1.00 1.43 C ATOM 815 CD GLU A 47 -1.406 -15.068 -0.897 1.00 1.91 C ATOM 816 OE1 GLU A 47 -0.299 -14.984 -1.467 1.00 2.22 O ATOM 817 OE2 GLU A 47 -1.951 -16.159 -0.632 1.00 2.56 O ATOM 0 H GLU A 47 -4.825 -12.538 -3.218 1.00 1.17 H new ATOM 0 HA GLU A 47 -3.510 -15.071 -2.583 1.00 1.13 H new ATOM 0 HB2 GLU A 47 -2.293 -12.919 -2.450 1.00 1.09 H new ATOM 0 HB3 GLU A 47 -3.458 -12.319 -1.286 1.00 1.09 H new ATOM 0 HG2 GLU A 47 -1.387 -13.049 -0.193 1.00 1.43 H new ATOM 0 HG3 GLU A 47 -2.763 -13.986 0.352 1.00 1.43 H new ATOM 824 N THR A 48 -4.608 -15.678 -0.400 1.00 1.56 N ATOM 825 CA THR A 48 -5.416 -16.212 0.683 1.00 1.94 C ATOM 826 C THR A 48 -4.547 -16.529 1.903 1.00 1.56 C ATOM 827 O THR A 48 -4.958 -16.314 3.046 1.00 1.92 O ATOM 828 CB THR A 48 -6.162 -17.483 0.223 1.00 2.64 C ATOM 829 OG1 THR A 48 -6.993 -17.170 -0.902 1.00 2.79 O ATOM 830 CG2 THR A 48 -7.013 -18.067 1.340 1.00 3.54 C ATOM 0 H THR A 48 -3.741 -16.190 -0.565 1.00 1.56 H new ATOM 0 HA THR A 48 -6.148 -15.455 0.965 1.00 1.94 H new ATOM 0 HB THR A 48 -5.418 -18.229 -0.058 1.00 2.64 H new ATOM 0 HG1 THR A 48 -7.465 -17.977 -1.195 1.00 2.79 H new ATOM 0 HG21 THR A 48 -7.523 -18.960 0.980 1.00 3.54 H new ATOM 0 HG22 THR A 48 -6.375 -18.329 2.184 1.00 3.54 H new ATOM 0 HG23 THR A 48 -7.751 -17.331 1.658 1.00 3.54 H new ATOM 838 N PHE A 49 -3.332 -17.007 1.641 1.00 1.27 N ATOM 839 CA PHE A 49 -2.398 -17.392 2.692 1.00 1.57 C ATOM 840 C PHE A 49 -1.997 -16.186 3.538 1.00 1.23 C ATOM 841 O PHE A 49 -1.843 -16.289 4.755 1.00 1.42 O ATOM 842 CB PHE A 49 -1.159 -18.039 2.058 1.00 2.24 C ATOM 843 CG PHE A 49 -0.083 -18.415 3.040 1.00 3.04 C ATOM 844 CD1 PHE A 49 -0.213 -19.539 3.836 1.00 3.65 C ATOM 845 CD2 PHE A 49 1.063 -17.643 3.156 1.00 3.80 C ATOM 846 CE1 PHE A 49 0.779 -19.887 4.733 1.00 4.73 C ATOM 847 CE2 PHE A 49 2.057 -17.985 4.051 1.00 4.81 C ATOM 848 CZ PHE A 49 1.915 -19.108 4.840 1.00 5.19 C ATOM 0 H PHE A 49 -2.970 -17.137 0.696 1.00 1.27 H new ATOM 0 HA PHE A 49 -2.886 -18.111 3.351 1.00 1.57 H new ATOM 0 HB2 PHE A 49 -1.468 -18.933 1.516 1.00 2.24 H new ATOM 0 HB3 PHE A 49 -0.740 -17.351 1.324 1.00 2.24 H new ATOM 0 HD1 PHE A 49 -1.099 -20.151 3.756 1.00 3.65 H new ATOM 0 HD2 PHE A 49 1.179 -16.764 2.539 1.00 3.80 H new ATOM 0 HE1 PHE A 49 0.666 -20.767 5.349 1.00 4.73 H new ATOM 0 HE2 PHE A 49 2.944 -17.375 4.133 1.00 4.81 H new ATOM 0 HZ PHE A 49 2.691 -19.378 5.541 1.00 5.19 H new ATOM 858 N LEU A 50 -1.836 -15.045 2.885 1.00 0.94 N ATOM 859 CA LEU A 50 -1.450 -13.823 3.574 1.00 0.81 C ATOM 860 C LEU A 50 -2.659 -12.924 3.811 1.00 0.81 C ATOM 861 O LEU A 50 -3.269 -12.423 2.863 1.00 0.88 O ATOM 862 CB LEU A 50 -0.383 -13.069 2.774 1.00 0.83 C ATOM 863 CG LEU A 50 0.945 -13.812 2.592 1.00 1.05 C ATOM 864 CD1 LEU A 50 1.899 -12.997 1.735 1.00 1.34 C ATOM 865 CD2 LEU A 50 1.577 -14.117 3.941 1.00 1.51 C ATOM 0 H LEU A 50 -1.967 -14.940 1.879 1.00 0.94 H new ATOM 0 HA LEU A 50 -1.034 -14.101 4.542 1.00 0.81 H new ATOM 0 HB2 LEU A 50 -0.788 -12.836 1.789 1.00 0.83 H new ATOM 0 HB3 LEU A 50 -0.184 -12.119 3.270 1.00 0.83 H new ATOM 0 HG LEU A 50 0.742 -14.755 2.084 1.00 1.05 H new ATOM 0 HD11 LEU A 50 2.836 -13.540 1.617 1.00 1.34 H new ATOM 0 HD12 LEU A 50 1.453 -12.826 0.755 1.00 1.34 H new ATOM 0 HD13 LEU A 50 2.093 -12.039 2.217 1.00 1.34 H new ATOM 0 HD21 LEU A 50 2.519 -14.645 3.791 1.00 1.51 H new ATOM 0 HD22 LEU A 50 1.764 -13.185 4.474 1.00 1.51 H new ATOM 0 HD23 LEU A 50 0.901 -14.740 4.527 1.00 1.51 H new ATOM 877 N PRO A 51 -3.046 -12.744 5.081 1.00 0.98 N ATOM 878 CA PRO A 51 -4.106 -11.816 5.471 1.00 1.19 C ATOM 879 C PRO A 51 -3.618 -10.368 5.451 1.00 1.06 C ATOM 880 O PRO A 51 -2.411 -10.114 5.486 1.00 1.05 O ATOM 881 CB PRO A 51 -4.455 -12.238 6.912 1.00 1.58 C ATOM 882 CG PRO A 51 -3.654 -13.468 7.191 1.00 1.69 C ATOM 883 CD PRO A 51 -2.492 -13.439 6.246 1.00 1.21 C ATOM 0 HA PRO A 51 -4.956 -11.857 4.790 1.00 1.19 H new ATOM 0 HB2 PRO A 51 -4.211 -11.446 7.620 1.00 1.58 H new ATOM 0 HB3 PRO A 51 -5.522 -12.437 7.012 1.00 1.58 H new ATOM 0 HG2 PRO A 51 -3.313 -13.483 8.226 1.00 1.69 H new ATOM 0 HG3 PRO A 51 -4.255 -14.365 7.041 1.00 1.69 H new ATOM 0 HD2 PRO A 51 -1.639 -12.907 6.668 1.00 1.21 H new ATOM 0 HD3 PRO A 51 -2.149 -14.442 5.994 1.00 1.21 H new ATOM 891 N PRO A 52 -4.549 -9.398 5.385 1.00 1.03 N ATOM 892 CA PRO A 52 -4.210 -7.969 5.434 1.00 0.93 C ATOM 893 C PRO A 52 -3.470 -7.617 6.720 1.00 0.87 C ATOM 894 O PRO A 52 -3.829 -8.085 7.802 1.00 1.08 O ATOM 895 CB PRO A 52 -5.574 -7.271 5.395 1.00 1.03 C ATOM 896 CG PRO A 52 -6.501 -8.272 4.804 1.00 1.15 C ATOM 897 CD PRO A 52 -6.000 -9.612 5.257 1.00 1.17 C ATOM 0 HA PRO A 52 -3.550 -7.672 4.619 1.00 0.93 H new ATOM 0 HB2 PRO A 52 -5.896 -6.977 6.394 1.00 1.03 H new ATOM 0 HB3 PRO A 52 -5.536 -6.364 4.792 1.00 1.03 H new ATOM 0 HG2 PRO A 52 -7.524 -8.103 5.140 1.00 1.15 H new ATOM 0 HG3 PRO A 52 -6.507 -8.204 3.716 1.00 1.15 H new ATOM 0 HD2 PRO A 52 -6.449 -9.911 6.204 1.00 1.17 H new ATOM 0 HD3 PRO A 52 -6.230 -10.394 4.534 1.00 1.17 H new ATOM 905 N LEU A 53 -2.436 -6.795 6.592 1.00 0.75 N ATOM 906 CA LEU A 53 -1.579 -6.449 7.720 1.00 0.74 C ATOM 907 C LEU A 53 -2.282 -5.506 8.690 1.00 0.76 C ATOM 908 O LEU A 53 -3.360 -4.993 8.392 1.00 0.80 O ATOM 909 CB LEU A 53 -0.293 -5.791 7.219 1.00 0.76 C ATOM 910 CG LEU A 53 0.474 -6.586 6.164 1.00 0.79 C ATOM 911 CD1 LEU A 53 1.645 -5.776 5.640 1.00 0.77 C ATOM 912 CD2 LEU A 53 0.953 -7.911 6.734 1.00 1.22 C ATOM 0 H LEU A 53 -2.169 -6.353 5.712 1.00 0.75 H new ATOM 0 HA LEU A 53 -1.343 -7.372 8.249 1.00 0.74 H new ATOM 0 HB2 LEU A 53 -0.541 -4.813 6.806 1.00 0.76 H new ATOM 0 HB3 LEU A 53 0.365 -5.619 8.071 1.00 0.76 H new ATOM 0 HG LEU A 53 -0.200 -6.796 5.334 1.00 0.79 H new ATOM 0 HD11 LEU A 53 2.182 -6.356 4.889 1.00 0.77 H new ATOM 0 HD12 LEU A 53 1.277 -4.853 5.191 1.00 0.77 H new ATOM 0 HD13 LEU A 53 2.319 -5.536 6.463 1.00 0.77 H new ATOM 0 HD21 LEU A 53 1.497 -8.462 5.967 1.00 1.22 H new ATOM 0 HD22 LEU A 53 1.611 -7.725 7.583 1.00 1.22 H new ATOM 0 HD23 LEU A 53 0.095 -8.497 7.062 1.00 1.22 H new ATOM 924 N ASP A 54 -1.664 -5.274 9.843 1.00 0.77 N ATOM 925 CA ASP A 54 -2.204 -4.341 10.831 1.00 0.82 C ATOM 926 C ASP A 54 -2.350 -2.942 10.231 1.00 0.69 C ATOM 927 O ASP A 54 -3.310 -2.220 10.522 1.00 0.75 O ATOM 928 CB ASP A 54 -1.295 -4.299 12.068 1.00 1.00 C ATOM 929 CG ASP A 54 -1.528 -3.077 12.936 1.00 1.25 C ATOM 930 OD1 ASP A 54 -2.424 -3.116 13.807 1.00 1.53 O ATOM 931 OD2 ASP A 54 -0.810 -2.071 12.755 1.00 2.12 O ATOM 0 H ASP A 54 -0.788 -5.718 10.119 1.00 0.77 H new ATOM 0 HA ASP A 54 -3.193 -4.688 11.131 1.00 0.82 H new ATOM 0 HB2 ASP A 54 -1.460 -5.197 12.663 1.00 1.00 H new ATOM 0 HB3 ASP A 54 -0.253 -4.316 11.747 1.00 1.00 H new ATOM 936 N LYS A 55 -1.413 -2.582 9.372 1.00 0.64 N ATOM 937 CA LYS A 55 -1.418 -1.276 8.738 1.00 0.62 C ATOM 938 C LYS A 55 -1.400 -1.437 7.224 1.00 0.55 C ATOM 939 O LYS A 55 -0.736 -2.331 6.703 1.00 0.61 O ATOM 940 CB LYS A 55 -0.196 -0.474 9.189 1.00 0.81 C ATOM 941 CG LYS A 55 -0.517 0.934 9.658 1.00 1.10 C ATOM 942 CD LYS A 55 -1.419 0.922 10.883 1.00 1.49 C ATOM 943 CE LYS A 55 -1.599 2.315 11.462 1.00 1.98 C ATOM 944 NZ LYS A 55 -2.203 3.256 10.486 1.00 2.59 N ATOM 0 H LYS A 55 -0.634 -3.180 9.096 1.00 0.64 H new ATOM 0 HA LYS A 55 -2.322 -0.742 9.030 1.00 0.62 H new ATOM 0 HB2 LYS A 55 0.299 -1.011 9.998 1.00 0.81 H new ATOM 0 HB3 LYS A 55 0.513 -0.418 8.363 1.00 0.81 H new ATOM 0 HG2 LYS A 55 0.408 1.461 9.891 1.00 1.10 H new ATOM 0 HG3 LYS A 55 -1.003 1.485 8.853 1.00 1.10 H new ATOM 0 HD2 LYS A 55 -2.392 0.511 10.614 1.00 1.49 H new ATOM 0 HD3 LYS A 55 -0.994 0.265 11.642 1.00 1.49 H new ATOM 0 HE2 LYS A 55 -2.231 2.259 12.348 1.00 1.98 H new ATOM 0 HE3 LYS A 55 -0.632 2.700 11.784 1.00 1.98 H new ATOM 0 HZ1 LYS A 55 -2.400 4.163 10.955 1.00 2.59 H new ATOM 0 HZ2 LYS A 55 -1.542 3.410 9.698 1.00 2.59 H new ATOM 0 HZ3 LYS A 55 -3.090 2.855 10.121 1.00 2.59 H new ATOM 958 N THR A 56 -2.140 -0.590 6.524 1.00 0.50 N ATOM 959 CA THR A 56 -2.138 -0.618 5.070 1.00 0.48 C ATOM 960 C THR A 56 -1.415 0.615 4.528 1.00 0.43 C ATOM 961 O THR A 56 -0.905 0.610 3.412 1.00 0.45 O ATOM 962 CB THR A 56 -3.573 -0.708 4.492 1.00 0.55 C ATOM 963 OG1 THR A 56 -3.533 -0.908 3.072 1.00 1.14 O ATOM 964 CG2 THR A 56 -4.378 0.548 4.800 1.00 0.96 C ATOM 0 H THR A 56 -2.745 0.120 6.936 1.00 0.50 H new ATOM 0 HA THR A 56 -1.607 -1.515 4.752 1.00 0.48 H new ATOM 0 HB THR A 56 -4.060 -1.559 4.967 1.00 0.55 H new ATOM 0 HG1 THR A 56 -2.774 -1.485 2.844 1.00 1.14 H new ATOM 0 HG21 THR A 56 -5.379 0.451 4.380 1.00 0.96 H new ATOM 0 HG22 THR A 56 -4.449 0.679 5.880 1.00 0.96 H new ATOM 0 HG23 THR A 56 -3.883 1.414 4.361 1.00 0.96 H new ATOM 972 N LYS A 57 -1.354 1.663 5.338 1.00 0.46 N ATOM 973 CA LYS A 57 -0.624 2.866 4.975 1.00 0.48 C ATOM 974 C LYS A 57 0.606 3.007 5.852 1.00 0.52 C ATOM 975 O LYS A 57 0.496 3.118 7.076 1.00 0.69 O ATOM 976 CB LYS A 57 -1.496 4.112 5.126 1.00 0.59 C ATOM 977 CG LYS A 57 -2.722 4.131 4.232 1.00 0.90 C ATOM 978 CD LYS A 57 -3.504 5.417 4.417 1.00 1.09 C ATOM 979 CE LYS A 57 -4.765 5.445 3.571 1.00 1.54 C ATOM 980 NZ LYS A 57 -5.552 6.681 3.809 1.00 2.14 N ATOM 0 H LYS A 57 -1.803 1.703 6.253 1.00 0.46 H new ATOM 0 HA LYS A 57 -0.328 2.775 3.930 1.00 0.48 H new ATOM 0 HB2 LYS A 57 -1.817 4.192 6.164 1.00 0.59 H new ATOM 0 HB3 LYS A 57 -0.891 4.993 4.911 1.00 0.59 H new ATOM 0 HG2 LYS A 57 -2.419 4.031 3.190 1.00 0.90 H new ATOM 0 HG3 LYS A 57 -3.359 3.277 4.462 1.00 0.90 H new ATOM 0 HD2 LYS A 57 -3.770 5.531 5.468 1.00 1.09 H new ATOM 0 HD3 LYS A 57 -2.873 6.266 4.154 1.00 1.09 H new ATOM 0 HE2 LYS A 57 -4.498 5.380 2.516 1.00 1.54 H new ATOM 0 HE3 LYS A 57 -5.377 4.573 3.800 1.00 1.54 H new ATOM 0 HZ1 LYS A 57 -6.406 6.668 3.216 1.00 2.14 H new ATOM 0 HZ2 LYS A 57 -5.827 6.730 4.811 1.00 2.14 H new ATOM 0 HZ3 LYS A 57 -4.975 7.512 3.567 1.00 2.14 H new ATOM 994 N PHE A 58 1.771 2.991 5.234 1.00 0.43 N ATOM 995 CA PHE A 58 3.017 3.134 5.965 1.00 0.50 C ATOM 996 C PHE A 58 3.680 4.456 5.618 1.00 0.38 C ATOM 997 O PHE A 58 3.722 4.853 4.452 1.00 0.33 O ATOM 998 CB PHE A 58 3.974 1.982 5.648 1.00 0.69 C ATOM 999 CG PHE A 58 3.479 0.631 6.080 1.00 0.48 C ATOM 1000 CD1 PHE A 58 2.655 -0.118 5.254 1.00 1.16 C ATOM 1001 CD2 PHE A 58 3.847 0.107 7.308 1.00 1.42 C ATOM 1002 CE1 PHE A 58 2.205 -1.364 5.648 1.00 1.29 C ATOM 1003 CE2 PHE A 58 3.402 -1.138 7.706 1.00 1.64 C ATOM 1004 CZ PHE A 58 2.580 -1.875 6.876 1.00 1.11 C ATOM 0 H PHE A 58 1.882 2.880 4.226 1.00 0.43 H new ATOM 0 HA PHE A 58 2.786 3.112 7.030 1.00 0.50 H new ATOM 0 HB2 PHE A 58 4.157 1.962 4.574 1.00 0.69 H new ATOM 0 HB3 PHE A 58 4.931 2.177 6.131 1.00 0.69 H new ATOM 0 HD1 PHE A 58 2.362 0.276 4.292 1.00 1.16 H new ATOM 0 HD2 PHE A 58 4.489 0.679 7.962 1.00 1.42 H new ATOM 0 HE1 PHE A 58 1.561 -1.937 4.997 1.00 1.29 H new ATOM 0 HE2 PHE A 58 3.697 -1.535 8.666 1.00 1.64 H new ATOM 0 HZ PHE A 58 2.231 -2.849 7.186 1.00 1.11 H new ATOM 1014 N LEU A 59 4.174 5.142 6.633 1.00 0.46 N ATOM 1015 CA LEU A 59 4.950 6.353 6.426 1.00 0.43 C ATOM 1016 C LEU A 59 6.421 6.046 6.655 1.00 0.40 C ATOM 1017 O LEU A 59 6.864 5.885 7.794 1.00 0.54 O ATOM 1018 CB LEU A 59 4.486 7.465 7.372 1.00 0.59 C ATOM 1019 CG LEU A 59 3.037 7.923 7.186 1.00 1.38 C ATOM 1020 CD1 LEU A 59 2.679 8.986 8.214 1.00 2.22 C ATOM 1021 CD2 LEU A 59 2.817 8.454 5.775 1.00 1.64 C ATOM 0 H LEU A 59 4.052 4.881 7.611 1.00 0.46 H new ATOM 0 HA LEU A 59 4.803 6.701 5.403 1.00 0.43 H new ATOM 0 HB2 LEU A 59 4.612 7.121 8.399 1.00 0.59 H new ATOM 0 HB3 LEU A 59 5.141 8.326 7.242 1.00 0.59 H new ATOM 0 HG LEU A 59 2.385 7.062 7.334 1.00 1.38 H new ATOM 0 HD11 LEU A 59 1.646 9.300 8.068 1.00 2.22 H new ATOM 0 HD12 LEU A 59 2.795 8.576 9.217 1.00 2.22 H new ATOM 0 HD13 LEU A 59 3.340 9.845 8.095 1.00 2.22 H new ATOM 0 HD21 LEU A 59 1.781 8.774 5.664 1.00 1.64 H new ATOM 0 HD22 LEU A 59 3.479 9.301 5.598 1.00 1.64 H new ATOM 0 HD23 LEU A 59 3.033 7.667 5.052 1.00 1.64 H new ATOM 1033 N VAL A 60 7.168 5.943 5.571 1.00 0.33 N ATOM 1034 CA VAL A 60 8.573 5.574 5.645 1.00 0.41 C ATOM 1035 C VAL A 60 9.461 6.702 5.135 1.00 0.36 C ATOM 1036 O VAL A 60 9.072 7.447 4.241 1.00 0.34 O ATOM 1037 CB VAL A 60 8.859 4.289 4.835 1.00 0.50 C ATOM 1038 CG1 VAL A 60 8.165 3.092 5.468 1.00 0.59 C ATOM 1039 CG2 VAL A 60 8.424 4.449 3.385 1.00 0.47 C ATOM 0 H VAL A 60 6.825 6.110 4.625 1.00 0.33 H new ATOM 0 HA VAL A 60 8.801 5.386 6.694 1.00 0.41 H new ATOM 0 HB VAL A 60 9.935 4.115 4.849 1.00 0.50 H new ATOM 0 HG11 VAL A 60 8.378 2.197 4.884 1.00 0.59 H new ATOM 0 HG12 VAL A 60 8.530 2.956 6.486 1.00 0.59 H new ATOM 0 HG13 VAL A 60 7.089 3.264 5.488 1.00 0.59 H new ATOM 0 HG21 VAL A 60 8.637 3.531 2.838 1.00 0.47 H new ATOM 0 HG22 VAL A 60 7.354 4.655 3.347 1.00 0.47 H new ATOM 0 HG23 VAL A 60 8.969 5.276 2.931 1.00 0.47 H new ATOM 1049 N PRO A 61 10.655 6.860 5.722 1.00 0.41 N ATOM 1050 CA PRO A 61 11.621 7.865 5.276 1.00 0.41 C ATOM 1051 C PRO A 61 12.223 7.503 3.921 1.00 0.37 C ATOM 1052 O PRO A 61 12.211 6.345 3.510 1.00 0.36 O ATOM 1053 CB PRO A 61 12.694 7.834 6.368 1.00 0.52 C ATOM 1054 CG PRO A 61 12.601 6.472 6.959 1.00 0.71 C ATOM 1055 CD PRO A 61 11.154 6.077 6.868 1.00 0.51 C ATOM 0 HA PRO A 61 11.168 8.847 5.141 1.00 0.41 H new ATOM 0 HB2 PRO A 61 13.685 8.018 5.953 1.00 0.52 H new ATOM 0 HB3 PRO A 61 12.515 8.603 7.119 1.00 0.52 H new ATOM 0 HG2 PRO A 61 13.232 5.768 6.417 1.00 0.71 H new ATOM 0 HG3 PRO A 61 12.941 6.472 7.995 1.00 0.71 H new ATOM 0 HD2 PRO A 61 11.040 5.006 6.702 1.00 0.51 H new ATOM 0 HD3 PRO A 61 10.614 6.317 7.784 1.00 0.51 H new ATOM 1063 N GLN A 62 12.759 8.510 3.241 1.00 0.42 N ATOM 1064 CA GLN A 62 13.307 8.346 1.892 1.00 0.45 C ATOM 1065 C GLN A 62 14.519 7.416 1.882 1.00 0.43 C ATOM 1066 O GLN A 62 14.920 6.919 0.830 1.00 0.51 O ATOM 1067 CB GLN A 62 13.710 9.707 1.330 1.00 0.61 C ATOM 1068 CG GLN A 62 12.579 10.716 1.297 1.00 0.85 C ATOM 1069 CD GLN A 62 13.053 12.089 0.880 1.00 0.78 C ATOM 1070 OE1 GLN A 62 13.041 12.433 -0.303 1.00 1.34 O ATOM 1071 NE2 GLN A 62 13.506 12.871 1.846 1.00 1.15 N ATOM 0 H GLN A 62 12.828 9.461 3.604 1.00 0.42 H new ATOM 0 HA GLN A 62 12.531 7.898 1.272 1.00 0.45 H new ATOM 0 HB2 GLN A 62 14.526 10.110 1.930 1.00 0.61 H new ATOM 0 HB3 GLN A 62 14.094 9.573 0.319 1.00 0.61 H new ATOM 0 HG2 GLN A 62 11.809 10.374 0.606 1.00 0.85 H new ATOM 0 HG3 GLN A 62 12.119 10.776 2.283 1.00 0.85 H new ATOM 0 HE21 GLN A 62 13.497 12.545 2.812 1.00 1.15 H new ATOM 0 HE22 GLN A 62 13.864 13.800 1.624 1.00 1.15 H new ATOM 1080 N GLU A 63 15.100 7.196 3.052 1.00 0.46 N ATOM 1081 CA GLU A 63 16.285 6.359 3.180 1.00 0.59 C ATOM 1082 C GLU A 63 15.892 4.889 3.339 1.00 0.51 C ATOM 1083 O GLU A 63 16.734 3.992 3.253 1.00 0.62 O ATOM 1084 CB GLU A 63 17.110 6.827 4.381 1.00 0.81 C ATOM 1085 CG GLU A 63 18.465 6.153 4.502 1.00 1.56 C ATOM 1086 CD GLU A 63 19.243 6.637 5.705 1.00 2.26 C ATOM 1087 OE1 GLU A 63 18.988 6.137 6.822 1.00 3.07 O ATOM 1088 OE2 GLU A 63 20.114 7.514 5.541 1.00 2.73 O ATOM 0 H GLU A 63 14.767 7.589 3.933 1.00 0.46 H new ATOM 0 HA GLU A 63 16.886 6.450 2.275 1.00 0.59 H new ATOM 0 HB2 GLU A 63 17.257 7.905 4.309 1.00 0.81 H new ATOM 0 HB3 GLU A 63 16.542 6.643 5.293 1.00 0.81 H new ATOM 0 HG2 GLU A 63 18.326 5.074 4.572 1.00 1.56 H new ATOM 0 HG3 GLU A 63 19.044 6.342 3.598 1.00 1.56 H new ATOM 1095 N LEU A 64 14.604 4.655 3.545 1.00 0.39 N ATOM 1096 CA LEU A 64 14.087 3.321 3.788 1.00 0.39 C ATOM 1097 C LEU A 64 14.116 2.512 2.494 1.00 0.45 C ATOM 1098 O LEU A 64 13.539 2.914 1.485 1.00 0.54 O ATOM 1099 CB LEU A 64 12.658 3.436 4.343 1.00 0.36 C ATOM 1100 CG LEU A 64 12.188 2.322 5.287 1.00 0.49 C ATOM 1101 CD1 LEU A 64 11.970 1.027 4.535 1.00 1.14 C ATOM 1102 CD2 LEU A 64 13.181 2.118 6.422 1.00 1.44 C ATOM 0 H LEU A 64 13.891 5.385 3.548 1.00 0.39 H new ATOM 0 HA LEU A 64 14.707 2.802 4.519 1.00 0.39 H new ATOM 0 HB2 LEU A 64 12.575 4.386 4.871 1.00 0.36 H new ATOM 0 HB3 LEU A 64 11.969 3.479 3.499 1.00 0.36 H new ATOM 0 HG LEU A 64 11.235 2.630 5.716 1.00 0.49 H new ATOM 0 HD11 LEU A 64 11.637 0.255 5.229 1.00 1.14 H new ATOM 0 HD12 LEU A 64 11.211 1.176 3.767 1.00 1.14 H new ATOM 0 HD13 LEU A 64 12.904 0.716 4.067 1.00 1.14 H new ATOM 0 HD21 LEU A 64 12.826 1.323 7.078 1.00 1.44 H new ATOM 0 HD22 LEU A 64 14.152 1.842 6.011 1.00 1.44 H new ATOM 0 HD23 LEU A 64 13.277 3.042 6.992 1.00 1.44 H new ATOM 1114 N THR A 65 14.826 1.395 2.518 1.00 0.49 N ATOM 1115 CA THR A 65 14.936 0.527 1.351 1.00 0.54 C ATOM 1116 C THR A 65 13.863 -0.554 1.363 1.00 0.53 C ATOM 1117 O THR A 65 13.210 -0.770 2.385 1.00 0.51 O ATOM 1118 CB THR A 65 16.317 -0.154 1.281 1.00 0.60 C ATOM 1119 OG1 THR A 65 16.524 -0.963 2.448 1.00 0.56 O ATOM 1120 CG2 THR A 65 17.428 0.877 1.168 1.00 0.68 C ATOM 0 H THR A 65 15.338 1.065 3.336 1.00 0.49 H new ATOM 0 HA THR A 65 14.803 1.165 0.477 1.00 0.54 H new ATOM 0 HB THR A 65 16.340 -0.785 0.392 1.00 0.60 H new ATOM 0 HG1 THR A 65 17.403 -1.394 2.396 1.00 0.56 H new ATOM 0 HG21 THR A 65 18.392 0.370 1.120 1.00 0.68 H new ATOM 0 HG22 THR A 65 17.284 1.469 0.264 1.00 0.68 H new ATOM 0 HG23 THR A 65 17.406 1.533 2.038 1.00 0.68 H new ATOM 1128 N MET A 66 13.687 -1.251 0.246 1.00 0.55 N ATOM 1129 CA MET A 66 12.710 -2.333 0.188 1.00 0.56 C ATOM 1130 C MET A 66 13.058 -3.425 1.197 1.00 0.52 C ATOM 1131 O MET A 66 12.175 -3.992 1.837 1.00 0.47 O ATOM 1132 CB MET A 66 12.616 -2.927 -1.221 1.00 0.62 C ATOM 1133 CG MET A 66 12.234 -1.917 -2.291 1.00 0.88 C ATOM 1134 SD MET A 66 11.687 -2.698 -3.820 1.00 1.39 S ATOM 1135 CE MET A 66 10.096 -3.355 -3.315 1.00 1.05 C ATOM 0 H MET A 66 14.200 -1.090 -0.621 1.00 0.55 H new ATOM 0 HA MET A 66 11.737 -1.913 0.443 1.00 0.56 H new ATOM 0 HB2 MET A 66 13.576 -3.372 -1.482 1.00 0.62 H new ATOM 0 HB3 MET A 66 11.882 -3.733 -1.217 1.00 0.62 H new ATOM 0 HG2 MET A 66 11.439 -1.275 -1.911 1.00 0.88 H new ATOM 0 HG3 MET A 66 13.090 -1.275 -2.501 1.00 0.88 H new ATOM 0 HE1 MET A 66 9.631 -3.869 -4.156 1.00 1.05 H new ATOM 0 HE2 MET A 66 10.237 -4.057 -2.493 1.00 1.05 H new ATOM 0 HE3 MET A 66 9.452 -2.538 -2.988 1.00 1.05 H new ATOM 1145 N THR A 67 14.350 -3.693 1.351 1.00 0.56 N ATOM 1146 CA THR A 67 14.829 -4.674 2.314 1.00 0.58 C ATOM 1147 C THR A 67 14.375 -4.319 3.730 1.00 0.47 C ATOM 1148 O THR A 67 13.814 -5.153 4.453 1.00 0.45 O ATOM 1149 CB THR A 67 16.364 -4.752 2.287 1.00 0.70 C ATOM 1150 OG1 THR A 67 16.816 -5.018 0.957 1.00 1.33 O ATOM 1151 CG2 THR A 67 16.874 -5.831 3.228 1.00 1.19 C ATOM 0 H THR A 67 15.089 -3.239 0.815 1.00 0.56 H new ATOM 0 HA THR A 67 14.408 -5.640 2.035 1.00 0.58 H new ATOM 0 HB THR A 67 16.758 -3.792 2.620 1.00 0.70 H new ATOM 0 HG1 THR A 67 17.795 -5.065 0.947 1.00 1.33 H new ATOM 0 HG21 THR A 67 17.963 -5.864 3.188 1.00 1.19 H new ATOM 0 HG22 THR A 67 16.555 -5.607 4.246 1.00 1.19 H new ATOM 0 HG23 THR A 67 16.471 -6.798 2.926 1.00 1.19 H new ATOM 1159 N GLN A 68 14.605 -3.073 4.114 1.00 0.47 N ATOM 1160 CA GLN A 68 14.238 -2.602 5.439 1.00 0.43 C ATOM 1161 C GLN A 68 12.722 -2.565 5.591 1.00 0.35 C ATOM 1162 O GLN A 68 12.191 -2.769 6.685 1.00 0.34 O ATOM 1163 CB GLN A 68 14.836 -1.217 5.682 1.00 0.50 C ATOM 1164 CG GLN A 68 16.354 -1.206 5.639 1.00 0.56 C ATOM 1165 CD GLN A 68 16.927 0.198 5.607 1.00 1.33 C ATOM 1166 OE1 GLN A 68 16.300 1.125 5.092 1.00 2.03 O ATOM 1167 NE2 GLN A 68 18.123 0.365 6.151 1.00 1.98 N ATOM 0 H GLN A 68 15.046 -2.368 3.524 1.00 0.47 H new ATOM 0 HA GLN A 68 14.637 -3.292 6.182 1.00 0.43 H new ATOM 0 HB2 GLN A 68 14.452 -0.526 4.932 1.00 0.50 H new ATOM 0 HB3 GLN A 68 14.504 -0.850 6.653 1.00 0.50 H new ATOM 0 HG2 GLN A 68 16.742 -1.733 6.511 1.00 0.56 H new ATOM 0 HG3 GLN A 68 16.693 -1.753 4.759 1.00 0.56 H new ATOM 0 HE21 GLN A 68 18.609 -0.429 6.567 1.00 1.98 H new ATOM 0 HE22 GLN A 68 18.558 1.288 6.154 1.00 1.98 H new ATOM 1176 N PHE A 69 12.036 -2.324 4.481 1.00 0.35 N ATOM 1177 CA PHE A 69 10.583 -2.268 4.469 1.00 0.34 C ATOM 1178 C PHE A 69 10.003 -3.655 4.682 1.00 0.36 C ATOM 1179 O PHE A 69 8.994 -3.815 5.361 1.00 0.36 O ATOM 1180 CB PHE A 69 10.083 -1.681 3.151 1.00 0.42 C ATOM 1181 CG PHE A 69 8.624 -1.323 3.164 1.00 0.45 C ATOM 1182 CD1 PHE A 69 8.144 -0.358 4.034 1.00 1.26 C ATOM 1183 CD2 PHE A 69 7.734 -1.948 2.305 1.00 1.31 C ATOM 1184 CE1 PHE A 69 6.807 -0.022 4.048 1.00 1.33 C ATOM 1185 CE2 PHE A 69 6.394 -1.614 2.313 1.00 1.30 C ATOM 1186 CZ PHE A 69 5.931 -0.650 3.187 1.00 0.59 C ATOM 0 H PHE A 69 12.468 -2.163 3.571 1.00 0.35 H new ATOM 0 HA PHE A 69 10.253 -1.622 5.283 1.00 0.34 H new ATOM 0 HB2 PHE A 69 10.665 -0.789 2.917 1.00 0.42 H new ATOM 0 HB3 PHE A 69 10.265 -2.399 2.352 1.00 0.42 H new ATOM 0 HD1 PHE A 69 8.826 0.137 4.710 1.00 1.26 H new ATOM 0 HD2 PHE A 69 8.092 -2.704 1.622 1.00 1.31 H new ATOM 0 HE1 PHE A 69 6.446 0.732 4.732 1.00 1.33 H new ATOM 0 HE2 PHE A 69 5.710 -2.106 1.637 1.00 1.30 H new ATOM 0 HZ PHE A 69 4.883 -0.388 3.196 1.00 0.59 H new ATOM 1196 N LEU A 70 10.656 -4.651 4.095 1.00 0.40 N ATOM 1197 CA LEU A 70 10.275 -6.044 4.279 1.00 0.46 C ATOM 1198 C LEU A 70 10.259 -6.398 5.761 1.00 0.47 C ATOM 1199 O LEU A 70 9.334 -7.053 6.246 1.00 0.52 O ATOM 1200 CB LEU A 70 11.244 -6.958 3.527 1.00 0.54 C ATOM 1201 CG LEU A 70 11.156 -6.898 2.000 1.00 0.77 C ATOM 1202 CD1 LEU A 70 12.198 -7.809 1.370 1.00 1.18 C ATOM 1203 CD2 LEU A 70 9.761 -7.278 1.523 1.00 1.43 C ATOM 0 H LEU A 70 11.460 -4.516 3.482 1.00 0.40 H new ATOM 0 HA LEU A 70 9.272 -6.188 3.877 1.00 0.46 H new ATOM 0 HB2 LEU A 70 12.261 -6.704 3.825 1.00 0.54 H new ATOM 0 HB3 LEU A 70 11.066 -7.986 3.844 1.00 0.54 H new ATOM 0 HG LEU A 70 11.356 -5.873 1.688 1.00 0.77 H new ATOM 0 HD11 LEU A 70 12.121 -7.754 0.284 1.00 1.18 H new ATOM 0 HD12 LEU A 70 13.194 -7.492 1.680 1.00 1.18 H new ATOM 0 HD13 LEU A 70 12.027 -8.836 1.694 1.00 1.18 H new ATOM 0 HD21 LEU A 70 9.722 -7.228 0.435 1.00 1.43 H new ATOM 0 HD22 LEU A 70 9.529 -8.292 1.848 1.00 1.43 H new ATOM 0 HD23 LEU A 70 9.031 -6.586 1.944 1.00 1.43 H new ATOM 1215 N SER A 71 11.284 -5.951 6.479 1.00 0.45 N ATOM 1216 CA SER A 71 11.346 -6.148 7.920 1.00 0.50 C ATOM 1217 C SER A 71 10.172 -5.447 8.613 1.00 0.48 C ATOM 1218 O SER A 71 9.560 -5.998 9.530 1.00 0.56 O ATOM 1219 CB SER A 71 12.675 -5.623 8.460 1.00 0.55 C ATOM 1220 OG SER A 71 13.768 -6.203 7.763 1.00 1.50 O ATOM 0 H SER A 71 12.081 -5.451 6.086 1.00 0.45 H new ATOM 0 HA SER A 71 11.276 -7.215 8.130 1.00 0.50 H new ATOM 0 HB2 SER A 71 12.710 -4.538 8.361 1.00 0.55 H new ATOM 0 HB3 SER A 71 12.755 -5.849 9.523 1.00 0.55 H new ATOM 0 HG SER A 71 14.609 -5.852 8.123 1.00 1.50 H new ATOM 1226 N ILE A 72 9.848 -4.241 8.150 1.00 0.40 N ATOM 1227 CA ILE A 72 8.727 -3.478 8.694 1.00 0.39 C ATOM 1228 C ILE A 72 7.408 -4.200 8.429 1.00 0.40 C ATOM 1229 O ILE A 72 6.543 -4.277 9.302 1.00 0.46 O ATOM 1230 CB ILE A 72 8.666 -2.053 8.092 1.00 0.38 C ATOM 1231 CG1 ILE A 72 9.946 -1.278 8.430 1.00 0.42 C ATOM 1232 CG2 ILE A 72 7.437 -1.309 8.601 1.00 0.43 C ATOM 1233 CD1 ILE A 72 9.983 0.124 7.857 1.00 0.46 C ATOM 0 H ILE A 72 10.348 -3.770 7.396 1.00 0.40 H new ATOM 0 HA ILE A 72 8.883 -3.392 9.769 1.00 0.39 H new ATOM 0 HB ILE A 72 8.588 -2.137 7.008 1.00 0.38 H new ATOM 0 HG12 ILE A 72 10.049 -1.220 9.514 1.00 0.42 H new ATOM 0 HG13 ILE A 72 10.806 -1.835 8.058 1.00 0.42 H new ATOM 0 HG21 ILE A 72 7.411 -0.309 8.167 1.00 0.43 H new ATOM 0 HG22 ILE A 72 6.537 -1.853 8.313 1.00 0.43 H new ATOM 0 HG23 ILE A 72 7.482 -1.232 9.687 1.00 0.43 H new ATOM 0 HD11 ILE A 72 10.918 0.608 8.139 1.00 0.46 H new ATOM 0 HD12 ILE A 72 9.913 0.075 6.770 1.00 0.46 H new ATOM 0 HD13 ILE A 72 9.144 0.700 8.249 1.00 0.46 H new ATOM 1245 N ILE A 73 7.271 -4.743 7.224 1.00 0.40 N ATOM 1246 CA ILE A 73 6.092 -5.517 6.852 1.00 0.47 C ATOM 1247 C ILE A 73 5.923 -6.714 7.782 1.00 0.56 C ATOM 1248 O ILE A 73 4.822 -7.000 8.249 1.00 0.64 O ATOM 1249 CB ILE A 73 6.176 -6.008 5.386 1.00 0.52 C ATOM 1250 CG1 ILE A 73 6.163 -4.821 4.417 1.00 0.51 C ATOM 1251 CG2 ILE A 73 5.037 -6.965 5.065 1.00 0.65 C ATOM 1252 CD1 ILE A 73 4.907 -3.975 4.498 1.00 1.08 C ATOM 0 H ILE A 73 7.967 -4.660 6.483 1.00 0.40 H new ATOM 0 HA ILE A 73 5.227 -4.860 6.946 1.00 0.47 H new ATOM 0 HB ILE A 73 7.117 -6.545 5.266 1.00 0.52 H new ATOM 0 HG12 ILE A 73 7.028 -4.190 4.620 1.00 0.51 H new ATOM 0 HG13 ILE A 73 6.273 -5.195 3.399 1.00 0.51 H new ATOM 0 HG21 ILE A 73 5.120 -7.295 4.029 1.00 0.65 H new ATOM 0 HG22 ILE A 73 5.091 -7.830 5.726 1.00 0.65 H new ATOM 0 HG23 ILE A 73 4.083 -6.457 5.209 1.00 0.65 H new ATOM 0 HD11 ILE A 73 4.974 -3.156 3.782 1.00 1.08 H new ATOM 0 HD12 ILE A 73 4.038 -4.591 4.265 1.00 1.08 H new ATOM 0 HD13 ILE A 73 4.805 -3.570 5.505 1.00 1.08 H new ATOM 1264 N ARG A 74 7.027 -7.395 8.065 1.00 0.60 N ATOM 1265 CA ARG A 74 7.008 -8.535 8.972 1.00 0.75 C ATOM 1266 C ARG A 74 6.636 -8.087 10.386 1.00 0.75 C ATOM 1267 O ARG A 74 6.016 -8.834 11.144 1.00 0.84 O ATOM 1268 CB ARG A 74 8.366 -9.239 8.972 1.00 0.86 C ATOM 1269 CG ARG A 74 8.370 -10.557 9.732 1.00 1.15 C ATOM 1270 CD ARG A 74 9.725 -11.239 9.657 1.00 1.07 C ATOM 1271 NE ARG A 74 10.771 -10.458 10.312 1.00 1.72 N ATOM 1272 CZ ARG A 74 12.074 -10.685 10.163 1.00 2.15 C ATOM 1273 NH1 ARG A 74 12.494 -11.647 9.348 1.00 2.13 N ATOM 1274 NH2 ARG A 74 12.954 -9.943 10.822 1.00 3.12 N ATOM 0 H ARG A 74 7.946 -7.177 7.679 1.00 0.60 H new ATOM 0 HA ARG A 74 6.253 -9.241 8.625 1.00 0.75 H new ATOM 0 HB2 ARG A 74 8.670 -9.423 7.942 1.00 0.86 H new ATOM 0 HB3 ARG A 74 9.110 -8.574 9.411 1.00 0.86 H new ATOM 0 HG2 ARG A 74 8.109 -10.377 10.775 1.00 1.15 H new ATOM 0 HG3 ARG A 74 7.606 -11.217 9.321 1.00 1.15 H new ATOM 0 HD2 ARG A 74 9.662 -12.222 10.123 1.00 1.07 H new ATOM 0 HD3 ARG A 74 9.993 -11.398 8.612 1.00 1.07 H new ATOM 0 HE ARG A 74 10.485 -9.691 10.921 1.00 1.72 H new ATOM 0 HH11 ARG A 74 11.817 -12.213 8.835 1.00 2.13 H new ATOM 0 HH12 ARG A 74 13.493 -11.820 9.235 1.00 2.13 H new ATOM 0 HH21 ARG A 74 12.632 -9.200 11.442 1.00 3.12 H new ATOM 0 HH22 ARG A 74 13.953 -10.116 10.709 1.00 3.12 H new ATOM 1288 N SER A 75 7.000 -6.856 10.726 1.00 0.67 N ATOM 1289 CA SER A 75 6.669 -6.291 12.029 1.00 0.71 C ATOM 1290 C SER A 75 5.184 -5.932 12.100 1.00 0.65 C ATOM 1291 O SER A 75 4.620 -5.782 13.185 1.00 0.70 O ATOM 1292 CB SER A 75 7.518 -5.046 12.298 1.00 0.71 C ATOM 1293 OG SER A 75 8.901 -5.324 12.149 1.00 1.33 O ATOM 0 H SER A 75 7.525 -6.229 10.116 1.00 0.67 H new ATOM 0 HA SER A 75 6.884 -7.041 12.791 1.00 0.71 H new ATOM 0 HB2 SER A 75 7.229 -4.250 11.611 1.00 0.71 H new ATOM 0 HB3 SER A 75 7.325 -4.682 13.307 1.00 0.71 H new ATOM 0 HG SER A 75 9.095 -5.526 11.210 1.00 1.33 H new ATOM 1299 N ARG A 76 4.554 -5.798 10.938 1.00 0.60 N ATOM 1300 CA ARG A 76 3.149 -5.427 10.873 1.00 0.60 C ATOM 1301 C ARG A 76 2.289 -6.639 10.527 1.00 0.66 C ATOM 1302 O ARG A 76 1.074 -6.523 10.339 1.00 0.70 O ATOM 1303 CB ARG A 76 2.940 -4.313 9.845 1.00 0.58 C ATOM 1304 CG ARG A 76 2.035 -3.198 10.343 1.00 1.15 C ATOM 1305 CD ARG A 76 2.682 -2.430 11.487 1.00 1.27 C ATOM 1306 NE ARG A 76 1.751 -1.503 12.132 1.00 1.86 N ATOM 1307 CZ ARG A 76 2.078 -0.277 12.546 1.00 2.28 C ATOM 1308 NH1 ARG A 76 3.301 0.201 12.340 1.00 2.42 N ATOM 1309 NH2 ARG A 76 1.173 0.470 13.167 1.00 3.11 N ATOM 0 H ARG A 76 4.996 -5.941 10.030 1.00 0.60 H new ATOM 0 HA ARG A 76 2.844 -5.058 11.852 1.00 0.60 H new ATOM 0 HB2 ARG A 76 3.908 -3.892 9.574 1.00 0.58 H new ATOM 0 HB3 ARG A 76 2.513 -4.741 8.938 1.00 0.58 H new ATOM 0 HG2 ARG A 76 1.812 -2.515 9.524 1.00 1.15 H new ATOM 0 HG3 ARG A 76 1.086 -3.618 10.675 1.00 1.15 H new ATOM 0 HD2 ARG A 76 3.060 -3.135 12.227 1.00 1.27 H new ATOM 0 HD3 ARG A 76 3.540 -1.875 11.109 1.00 1.27 H new ATOM 0 HE ARG A 76 0.790 -1.814 12.274 1.00 1.86 H new ATOM 0 HH11 ARG A 76 3.998 -0.370 11.862 1.00 2.42 H new ATOM 0 HH12 ARG A 76 3.542 1.139 12.660 1.00 2.42 H new ATOM 0 HH21 ARG A 76 0.233 0.106 13.326 1.00 3.11 H new ATOM 0 HH22 ARG A 76 1.417 1.408 13.486 1.00 3.11 H new ATOM 1323 N MET A 77 2.933 -7.797 10.427 1.00 0.71 N ATOM 1324 CA MET A 77 2.235 -9.053 10.175 1.00 0.80 C ATOM 1325 C MET A 77 1.307 -9.386 11.332 1.00 0.82 C ATOM 1326 O MET A 77 1.703 -9.327 12.498 1.00 0.81 O ATOM 1327 CB MET A 77 3.238 -10.192 9.976 1.00 0.89 C ATOM 1328 CG MET A 77 3.802 -10.284 8.568 1.00 1.02 C ATOM 1329 SD MET A 77 2.578 -10.840 7.368 1.00 1.28 S ATOM 1330 CE MET A 77 3.564 -10.876 5.872 1.00 1.06 C ATOM 0 H MET A 77 3.945 -7.892 10.517 1.00 0.71 H new ATOM 0 HA MET A 77 1.644 -8.937 9.267 1.00 0.80 H new ATOM 0 HB2 MET A 77 4.062 -10.063 10.678 1.00 0.89 H new ATOM 0 HB3 MET A 77 2.753 -11.136 10.224 1.00 0.89 H new ATOM 0 HG2 MET A 77 4.182 -9.308 8.268 1.00 1.02 H new ATOM 0 HG3 MET A 77 4.648 -10.971 8.563 1.00 1.02 H new ATOM 0 HE1 MET A 77 2.945 -11.202 5.036 1.00 1.06 H new ATOM 0 HE2 MET A 77 3.953 -9.878 5.668 1.00 1.06 H new ATOM 0 HE3 MET A 77 4.395 -11.570 6.001 1.00 1.06 H new ATOM 1340 N VAL A 78 0.064 -9.715 11.001 1.00 0.89 N ATOM 1341 CA VAL A 78 -0.932 -10.080 12.005 1.00 0.97 C ATOM 1342 C VAL A 78 -0.576 -11.417 12.646 1.00 1.00 C ATOM 1343 O VAL A 78 -0.874 -11.667 13.813 1.00 1.07 O ATOM 1344 CB VAL A 78 -2.350 -10.153 11.395 1.00 1.02 C ATOM 1345 CG1 VAL A 78 -3.390 -10.496 12.454 1.00 1.28 C ATOM 1346 CG2 VAL A 78 -2.700 -8.842 10.710 1.00 1.66 C ATOM 0 H VAL A 78 -0.281 -9.737 10.041 1.00 0.89 H new ATOM 0 HA VAL A 78 -0.929 -9.302 12.769 1.00 0.97 H new ATOM 0 HB VAL A 78 -2.355 -10.950 10.651 1.00 1.02 H new ATOM 0 HG11 VAL A 78 -4.377 -10.540 11.994 1.00 1.28 H new ATOM 0 HG12 VAL A 78 -3.153 -11.463 12.897 1.00 1.28 H new ATOM 0 HG13 VAL A 78 -3.385 -9.731 13.230 1.00 1.28 H new ATOM 0 HG21 VAL A 78 -3.702 -8.909 10.285 1.00 1.66 H new ATOM 0 HG22 VAL A 78 -2.668 -8.031 11.438 1.00 1.66 H new ATOM 0 HG23 VAL A 78 -1.981 -8.644 9.915 1.00 1.66 H new ATOM 1356 N LEU A 79 0.075 -12.265 11.872 1.00 1.03 N ATOM 1357 CA LEU A 79 0.543 -13.551 12.357 1.00 1.12 C ATOM 1358 C LEU A 79 2.029 -13.701 12.044 1.00 1.09 C ATOM 1359 O LEU A 79 2.508 -13.189 11.032 1.00 1.19 O ATOM 1360 CB LEU A 79 -0.302 -14.722 11.780 1.00 1.35 C ATOM 1361 CG LEU A 79 -0.232 -15.031 10.261 1.00 1.60 C ATOM 1362 CD1 LEU A 79 -0.398 -13.786 9.403 1.00 2.06 C ATOM 1363 CD2 LEU A 79 1.049 -15.770 9.902 1.00 2.29 C ATOM 0 H LEU A 79 0.294 -12.083 10.893 1.00 1.03 H new ATOM 0 HA LEU A 79 0.415 -13.592 13.439 1.00 1.12 H new ATOM 0 HB2 LEU A 79 -0.013 -15.628 12.312 1.00 1.35 H new ATOM 0 HB3 LEU A 79 -1.345 -14.526 12.027 1.00 1.35 H new ATOM 0 HG LEU A 79 -1.076 -15.684 10.041 1.00 1.60 H new ATOM 0 HD11 LEU A 79 -0.341 -14.060 8.350 1.00 2.06 H new ATOM 0 HD12 LEU A 79 -1.367 -13.330 9.607 1.00 2.06 H new ATOM 0 HD13 LEU A 79 0.394 -13.075 9.637 1.00 2.06 H new ATOM 0 HD21 LEU A 79 1.065 -15.971 8.831 1.00 2.29 H new ATOM 0 HD22 LEU A 79 1.910 -15.157 10.170 1.00 2.29 H new ATOM 0 HD23 LEU A 79 1.091 -16.712 10.448 1.00 2.29 H new ATOM 1375 N ARG A 80 2.760 -14.366 12.928 1.00 1.18 N ATOM 1376 CA ARG A 80 4.192 -14.547 12.738 1.00 1.28 C ATOM 1377 C ARG A 80 4.468 -15.610 11.684 1.00 1.31 C ATOM 1378 O ARG A 80 4.067 -16.766 11.832 1.00 1.48 O ATOM 1379 CB ARG A 80 4.869 -14.927 14.061 1.00 1.62 C ATOM 1380 CG ARG A 80 6.356 -15.250 13.934 1.00 2.43 C ATOM 1381 CD ARG A 80 7.173 -14.052 13.459 1.00 2.82 C ATOM 1382 NE ARG A 80 7.177 -12.962 14.433 1.00 3.25 N ATOM 1383 CZ ARG A 80 8.271 -12.286 14.797 1.00 3.84 C ATOM 1384 NH1 ARG A 80 9.448 -12.562 14.244 1.00 4.09 N ATOM 1385 NH2 ARG A 80 8.185 -11.324 15.707 1.00 4.54 N ATOM 0 H ARG A 80 2.387 -14.787 13.779 1.00 1.18 H new ATOM 0 HA ARG A 80 4.608 -13.601 12.392 1.00 1.28 H new ATOM 0 HB2 ARG A 80 4.746 -14.106 14.768 1.00 1.62 H new ATOM 0 HB3 ARG A 80 4.356 -15.791 14.484 1.00 1.62 H new ATOM 0 HG2 ARG A 80 6.736 -15.586 14.899 1.00 2.43 H new ATOM 0 HG3 ARG A 80 6.487 -16.076 13.235 1.00 2.43 H new ATOM 0 HD2 ARG A 80 8.198 -14.368 13.266 1.00 2.82 H new ATOM 0 HD3 ARG A 80 6.768 -13.690 12.514 1.00 2.82 H new ATOM 0 HE ARG A 80 6.289 -12.701 14.862 1.00 3.25 H new ATOM 0 HH11 ARG A 80 9.520 -13.294 13.537 1.00 4.09 H new ATOM 0 HH12 ARG A 80 10.279 -12.042 14.527 1.00 4.09 H new ATOM 0 HH21 ARG A 80 7.284 -11.100 16.129 1.00 4.54 H new ATOM 0 HH22 ARG A 80 9.020 -10.808 15.985 1.00 4.54 H new ATOM 1399 N ALA A 81 5.151 -15.201 10.625 1.00 1.49 N ATOM 1400 CA ALA A 81 5.551 -16.106 9.565 1.00 1.84 C ATOM 1401 C ALA A 81 6.799 -15.576 8.881 1.00 1.79 C ATOM 1402 O ALA A 81 6.897 -14.383 8.594 1.00 2.59 O ATOM 1403 CB ALA A 81 4.426 -16.278 8.553 1.00 2.91 C ATOM 0 H ALA A 81 5.442 -14.234 10.479 1.00 1.49 H new ATOM 0 HA ALA A 81 5.770 -17.081 10.000 1.00 1.84 H new ATOM 0 HB1 ALA A 81 4.746 -16.961 7.766 1.00 2.91 H new ATOM 0 HB2 ALA A 81 3.547 -16.686 9.052 1.00 2.91 H new ATOM 0 HB3 ALA A 81 4.179 -15.311 8.116 1.00 2.91 H new ATOM 1409 N THR A 82 7.757 -16.452 8.638 1.00 1.83 N ATOM 1410 CA THR A 82 8.983 -16.066 7.964 1.00 2.56 C ATOM 1411 C THR A 82 9.005 -16.664 6.558 1.00 2.23 C ATOM 1412 O THR A 82 10.059 -16.899 5.966 1.00 2.92 O ATOM 1413 CB THR A 82 10.218 -16.520 8.770 1.00 3.57 C ATOM 1414 OG1 THR A 82 9.982 -16.289 10.167 1.00 4.30 O ATOM 1415 CG2 THR A 82 11.466 -15.755 8.347 1.00 4.27 C ATOM 0 H THR A 82 7.709 -17.437 8.898 1.00 1.83 H new ATOM 0 HA THR A 82 9.017 -14.979 7.888 1.00 2.56 H new ATOM 0 HB THR A 82 10.379 -17.581 8.578 1.00 3.57 H new ATOM 0 HG1 THR A 82 10.764 -16.578 10.683 1.00 4.30 H new ATOM 0 HG21 THR A 82 12.319 -16.098 8.933 1.00 4.27 H new ATOM 0 HG22 THR A 82 11.659 -15.930 7.289 1.00 4.27 H new ATOM 0 HG23 THR A 82 11.314 -14.689 8.516 1.00 4.27 H new ATOM 1423 N GLU A 83 7.811 -16.915 6.035 1.00 1.53 N ATOM 1424 CA GLU A 83 7.650 -17.415 4.682 1.00 1.50 C ATOM 1425 C GLU A 83 8.176 -16.390 3.690 1.00 1.17 C ATOM 1426 O GLU A 83 8.050 -15.183 3.906 1.00 1.67 O ATOM 1427 CB GLU A 83 6.174 -17.705 4.403 1.00 2.09 C ATOM 1428 CG GLU A 83 5.913 -18.357 3.055 1.00 2.50 C ATOM 1429 CD GLU A 83 6.674 -19.654 2.882 1.00 2.97 C ATOM 1430 OE1 GLU A 83 6.230 -20.687 3.430 1.00 3.25 O ATOM 1431 OE2 GLU A 83 7.721 -19.650 2.200 1.00 3.64 O ATOM 0 H GLU A 83 6.934 -16.777 6.536 1.00 1.53 H new ATOM 0 HA GLU A 83 8.217 -18.340 4.573 1.00 1.50 H new ATOM 0 HB2 GLU A 83 5.787 -18.354 5.189 1.00 2.09 H new ATOM 0 HB3 GLU A 83 5.615 -16.771 4.457 1.00 2.09 H new ATOM 0 HG2 GLU A 83 4.845 -18.549 2.948 1.00 2.50 H new ATOM 0 HG3 GLU A 83 6.194 -17.666 2.260 1.00 2.50 H new ATOM 1438 N ALA A 84 8.777 -16.867 2.619 1.00 1.00 N ATOM 1439 CA ALA A 84 9.302 -15.981 1.599 1.00 0.89 C ATOM 1440 C ALA A 84 8.174 -15.492 0.709 1.00 0.77 C ATOM 1441 O ALA A 84 7.577 -16.270 -0.038 1.00 0.92 O ATOM 1442 CB ALA A 84 10.376 -16.672 0.782 1.00 1.27 C ATOM 0 H ALA A 84 8.914 -17.860 2.432 1.00 1.00 H new ATOM 0 HA ALA A 84 9.761 -15.120 2.086 1.00 0.89 H new ATOM 0 HB1 ALA A 84 10.754 -15.986 0.024 1.00 1.27 H new ATOM 0 HB2 ALA A 84 11.193 -16.975 1.437 1.00 1.27 H new ATOM 0 HB3 ALA A 84 9.954 -17.553 0.297 1.00 1.27 H new ATOM 1448 N PHE A 85 7.879 -14.211 0.813 1.00 0.63 N ATOM 1449 CA PHE A 85 6.788 -13.609 0.067 1.00 0.53 C ATOM 1450 C PHE A 85 7.302 -12.410 -0.722 1.00 0.51 C ATOM 1451 O PHE A 85 8.292 -11.783 -0.339 1.00 0.58 O ATOM 1452 CB PHE A 85 5.647 -13.201 1.011 1.00 0.50 C ATOM 1453 CG PHE A 85 5.948 -12.020 1.891 1.00 0.50 C ATOM 1454 CD1 PHE A 85 6.892 -12.103 2.902 1.00 1.33 C ATOM 1455 CD2 PHE A 85 5.274 -10.825 1.705 1.00 1.08 C ATOM 1456 CE1 PHE A 85 7.161 -11.015 3.708 1.00 1.38 C ATOM 1457 CE2 PHE A 85 5.535 -9.734 2.508 1.00 1.09 C ATOM 1458 CZ PHE A 85 6.481 -9.828 3.511 1.00 0.62 C ATOM 0 H PHE A 85 8.385 -13.560 1.413 1.00 0.63 H new ATOM 0 HA PHE A 85 6.391 -14.342 -0.635 1.00 0.53 H new ATOM 0 HB2 PHE A 85 4.764 -12.975 0.414 1.00 0.50 H new ATOM 0 HB3 PHE A 85 5.395 -14.053 1.643 1.00 0.50 H new ATOM 0 HD1 PHE A 85 7.423 -13.030 3.061 1.00 1.33 H new ATOM 0 HD2 PHE A 85 4.535 -10.746 0.922 1.00 1.08 H new ATOM 0 HE1 PHE A 85 7.901 -11.091 4.491 1.00 1.38 H new ATOM 0 HE2 PHE A 85 5.001 -8.808 2.353 1.00 1.09 H new ATOM 0 HZ PHE A 85 6.689 -8.975 4.140 1.00 0.62 H new ATOM 1468 N TYR A 86 6.648 -12.112 -1.830 1.00 0.49 N ATOM 1469 CA TYR A 86 7.121 -11.079 -2.735 1.00 0.55 C ATOM 1470 C TYR A 86 6.298 -9.807 -2.600 1.00 0.53 C ATOM 1471 O TYR A 86 5.075 -9.854 -2.462 1.00 0.48 O ATOM 1472 CB TYR A 86 7.069 -11.583 -4.176 1.00 0.65 C ATOM 1473 CG TYR A 86 7.863 -12.851 -4.394 1.00 0.96 C ATOM 1474 CD1 TYR A 86 9.231 -12.809 -4.629 1.00 1.54 C ATOM 1475 CD2 TYR A 86 7.241 -14.093 -4.359 1.00 1.96 C ATOM 1476 CE1 TYR A 86 9.957 -13.968 -4.822 1.00 2.12 C ATOM 1477 CE2 TYR A 86 7.960 -15.254 -4.549 1.00 2.64 C ATOM 1478 CZ TYR A 86 9.316 -15.186 -4.782 1.00 2.49 C ATOM 1479 OH TYR A 86 10.033 -16.345 -4.974 1.00 3.30 O ATOM 0 H TYR A 86 5.786 -12.571 -2.126 1.00 0.49 H new ATOM 0 HA TYR A 86 8.152 -10.845 -2.470 1.00 0.55 H new ATOM 0 HB2 TYR A 86 6.030 -11.760 -4.454 1.00 0.65 H new ATOM 0 HB3 TYR A 86 7.449 -10.806 -4.839 1.00 0.65 H new ATOM 0 HD1 TYR A 86 9.735 -11.855 -4.661 1.00 1.54 H new ATOM 0 HD2 TYR A 86 6.177 -14.150 -4.180 1.00 1.96 H new ATOM 0 HE1 TYR A 86 11.021 -13.919 -5.003 1.00 2.12 H new ATOM 0 HE2 TYR A 86 7.463 -16.212 -4.515 1.00 2.64 H new ATOM 0 HH TYR A 86 9.431 -17.116 -4.913 1.00 3.30 H new ATOM 1489 N LEU A 87 6.983 -8.674 -2.633 1.00 0.62 N ATOM 1490 CA LEU A 87 6.331 -7.375 -2.588 1.00 0.63 C ATOM 1491 C LEU A 87 6.459 -6.686 -3.940 1.00 0.67 C ATOM 1492 O LEU A 87 7.562 -6.382 -4.394 1.00 0.91 O ATOM 1493 CB LEU A 87 6.954 -6.503 -1.495 1.00 0.81 C ATOM 1494 CG LEU A 87 6.363 -5.096 -1.361 1.00 0.83 C ATOM 1495 CD1 LEU A 87 4.942 -5.157 -0.821 1.00 1.44 C ATOM 1496 CD2 LEU A 87 7.243 -4.233 -0.469 1.00 1.56 C ATOM 0 H LEU A 87 8.000 -8.629 -2.691 1.00 0.62 H new ATOM 0 HA LEU A 87 5.275 -7.520 -2.358 1.00 0.63 H new ATOM 0 HB2 LEU A 87 6.847 -7.016 -0.539 1.00 0.81 H new ATOM 0 HB3 LEU A 87 8.023 -6.413 -1.691 1.00 0.81 H new ATOM 0 HG LEU A 87 6.328 -4.642 -2.351 1.00 0.83 H new ATOM 0 HD11 LEU A 87 4.542 -4.147 -0.734 1.00 1.44 H new ATOM 0 HD12 LEU A 87 4.319 -5.737 -1.502 1.00 1.44 H new ATOM 0 HD13 LEU A 87 4.946 -5.631 0.160 1.00 1.44 H new ATOM 0 HD21 LEU A 87 6.809 -3.237 -0.384 1.00 1.56 H new ATOM 0 HD22 LEU A 87 7.311 -4.684 0.521 1.00 1.56 H new ATOM 0 HD23 LEU A 87 8.240 -4.159 -0.904 1.00 1.56 H new ATOM 1508 N LEU A 88 5.330 -6.462 -4.581 1.00 0.52 N ATOM 1509 CA LEU A 88 5.293 -5.822 -5.884 1.00 0.60 C ATOM 1510 C LEU A 88 4.905 -4.358 -5.739 1.00 0.69 C ATOM 1511 O LEU A 88 4.067 -4.009 -4.907 1.00 0.75 O ATOM 1512 CB LEU A 88 4.289 -6.523 -6.814 1.00 0.63 C ATOM 1513 CG LEU A 88 4.671 -7.925 -7.316 1.00 0.70 C ATOM 1514 CD1 LEU A 88 6.027 -7.905 -7.999 1.00 1.54 C ATOM 1515 CD2 LEU A 88 4.651 -8.947 -6.186 1.00 1.48 C ATOM 0 H LEU A 88 4.413 -6.717 -4.216 1.00 0.52 H new ATOM 0 HA LEU A 88 6.289 -5.896 -6.321 1.00 0.60 H new ATOM 0 HB2 LEU A 88 3.336 -6.598 -6.290 1.00 0.63 H new ATOM 0 HB3 LEU A 88 4.127 -5.884 -7.682 1.00 0.63 H new ATOM 0 HG LEU A 88 3.923 -8.227 -8.049 1.00 0.70 H new ATOM 0 HD11 LEU A 88 6.275 -8.908 -8.345 1.00 1.54 H new ATOM 0 HD12 LEU A 88 5.996 -7.225 -8.850 1.00 1.54 H new ATOM 0 HD13 LEU A 88 6.785 -7.567 -7.293 1.00 1.54 H new ATOM 0 HD21 LEU A 88 4.926 -9.927 -6.577 1.00 1.48 H new ATOM 0 HD22 LEU A 88 5.363 -8.651 -5.415 1.00 1.48 H new ATOM 0 HD23 LEU A 88 3.650 -8.995 -5.757 1.00 1.48 H new ATOM 1527 N VAL A 89 5.506 -3.509 -6.551 1.00 0.78 N ATOM 1528 CA VAL A 89 5.177 -2.094 -6.546 1.00 0.93 C ATOM 1529 C VAL A 89 4.290 -1.778 -7.739 1.00 1.07 C ATOM 1530 O VAL A 89 4.725 -1.897 -8.887 1.00 1.19 O ATOM 1531 CB VAL A 89 6.439 -1.210 -6.602 1.00 1.10 C ATOM 1532 CG1 VAL A 89 6.074 0.257 -6.446 1.00 1.31 C ATOM 1533 CG2 VAL A 89 7.444 -1.633 -5.542 1.00 1.11 C ATOM 0 H VAL A 89 6.226 -3.774 -7.224 1.00 0.78 H new ATOM 0 HA VAL A 89 4.656 -1.876 -5.614 1.00 0.93 H new ATOM 0 HB VAL A 89 6.904 -1.343 -7.579 1.00 1.10 H new ATOM 0 HG11 VAL A 89 6.979 0.864 -6.488 1.00 1.31 H new ATOM 0 HG12 VAL A 89 5.401 0.552 -7.251 1.00 1.31 H new ATOM 0 HG13 VAL A 89 5.580 0.409 -5.486 1.00 1.31 H new ATOM 0 HG21 VAL A 89 8.326 -0.995 -5.601 1.00 1.11 H new ATOM 0 HG22 VAL A 89 6.993 -1.538 -4.554 1.00 1.11 H new ATOM 0 HG23 VAL A 89 7.735 -2.670 -5.710 1.00 1.11 H new ATOM 1543 N ASN A 90 3.041 -1.406 -7.458 1.00 1.13 N ATOM 1544 CA ASN A 90 2.039 -1.142 -8.494 1.00 1.36 C ATOM 1545 C ASN A 90 1.878 -2.355 -9.406 1.00 1.43 C ATOM 1546 O ASN A 90 1.560 -2.222 -10.588 1.00 1.64 O ATOM 1547 CB ASN A 90 2.423 0.096 -9.316 1.00 1.58 C ATOM 1548 CG ASN A 90 2.458 1.366 -8.486 1.00 1.62 C ATOM 1549 OD1 ASN A 90 3.466 1.679 -7.856 1.00 2.22 O ATOM 1550 ND2 ASN A 90 1.369 2.120 -8.492 1.00 1.89 N ATOM 0 H ASN A 90 2.694 -1.279 -6.507 1.00 1.13 H new ATOM 0 HA ASN A 90 1.085 -0.948 -8.003 1.00 1.36 H new ATOM 0 HB2 ASN A 90 3.402 -0.064 -9.769 1.00 1.58 H new ATOM 0 HB3 ASN A 90 1.711 0.220 -10.132 1.00 1.58 H new ATOM 0 HD21 ASN A 90 1.349 2.991 -7.962 1.00 1.89 H new ATOM 0 HD22 ASN A 90 0.550 1.829 -9.026 1.00 1.89 H new ATOM 1557 N ASN A 91 2.104 -3.540 -8.832 1.00 1.31 N ATOM 1558 CA ASN A 91 2.036 -4.809 -9.564 1.00 1.48 C ATOM 1559 C ASN A 91 3.064 -4.856 -10.696 1.00 1.59 C ATOM 1560 O ASN A 91 2.964 -5.680 -11.606 1.00 1.80 O ATOM 1561 CB ASN A 91 0.627 -5.049 -10.126 1.00 1.73 C ATOM 1562 CG ASN A 91 -0.422 -5.205 -9.040 1.00 2.02 C ATOM 1563 OD1 ASN A 91 -0.139 -5.695 -7.947 1.00 2.53 O ATOM 1564 ND2 ASN A 91 -1.647 -4.790 -9.336 1.00 2.31 N ATOM 0 H ASN A 91 2.340 -3.647 -7.845 1.00 1.31 H new ATOM 0 HA ASN A 91 2.269 -5.603 -8.854 1.00 1.48 H new ATOM 0 HB2 ASN A 91 0.352 -4.216 -10.773 1.00 1.73 H new ATOM 0 HB3 ASN A 91 0.636 -5.945 -10.747 1.00 1.73 H new ATOM 0 HD21 ASN A 91 -2.394 -4.872 -8.646 1.00 2.31 H new ATOM 0 HD22 ASN A 91 -1.842 -4.389 -10.253 1.00 2.31 H new ATOM 1571 N LYS A 92 4.054 -3.976 -10.637 1.00 1.53 N ATOM 1572 CA LYS A 92 5.077 -3.907 -11.670 1.00 1.72 C ATOM 1573 C LYS A 92 6.439 -4.335 -11.134 1.00 1.45 C ATOM 1574 O LYS A 92 6.924 -5.420 -11.450 1.00 1.47 O ATOM 1575 CB LYS A 92 5.171 -2.490 -12.244 1.00 2.06 C ATOM 1576 CG LYS A 92 3.959 -2.071 -13.061 1.00 2.55 C ATOM 1577 CD LYS A 92 4.085 -0.632 -13.536 1.00 3.00 C ATOM 1578 CE LYS A 92 2.942 -0.237 -14.461 1.00 3.63 C ATOM 1579 NZ LYS A 92 2.945 -1.026 -15.723 1.00 3.95 N ATOM 0 H LYS A 92 4.170 -3.299 -9.883 1.00 1.53 H new ATOM 0 HA LYS A 92 4.786 -4.596 -12.463 1.00 1.72 H new ATOM 0 HB2 LYS A 92 5.304 -1.785 -11.423 1.00 2.06 H new ATOM 0 HB3 LYS A 92 6.060 -2.421 -12.871 1.00 2.06 H new ATOM 0 HG2 LYS A 92 3.851 -2.732 -13.921 1.00 2.55 H new ATOM 0 HG3 LYS A 92 3.057 -2.180 -12.459 1.00 2.55 H new ATOM 0 HD2 LYS A 92 4.101 0.035 -12.674 1.00 3.00 H new ATOM 0 HD3 LYS A 92 5.034 -0.503 -14.056 1.00 3.00 H new ATOM 0 HE2 LYS A 92 1.993 -0.382 -13.946 1.00 3.63 H new ATOM 0 HE3 LYS A 92 3.018 0.824 -14.697 1.00 3.63 H new ATOM 0 HZ1 LYS A 92 2.313 -0.576 -16.415 1.00 3.95 H new ATOM 0 HZ2 LYS A 92 3.911 -1.062 -16.108 1.00 3.95 H new ATOM 0 HZ3 LYS A 92 2.613 -1.992 -15.529 1.00 3.95 H new ATOM 1593 N SER A 93 7.040 -3.485 -10.313 1.00 1.35 N ATOM 1594 CA SER A 93 8.397 -3.710 -9.833 1.00 1.32 C ATOM 1595 C SER A 93 8.445 -4.800 -8.770 1.00 0.95 C ATOM 1596 O SER A 93 7.570 -4.880 -7.906 1.00 0.79 O ATOM 1597 CB SER A 93 8.956 -2.411 -9.262 1.00 1.67 C ATOM 1598 OG SER A 93 8.703 -1.330 -10.140 1.00 2.32 O ATOM 0 H SER A 93 6.607 -2.630 -9.964 1.00 1.35 H new ATOM 0 HA SER A 93 9.003 -4.040 -10.677 1.00 1.32 H new ATOM 0 HB2 SER A 93 8.504 -2.211 -8.291 1.00 1.67 H new ATOM 0 HB3 SER A 93 10.029 -2.511 -9.100 1.00 1.67 H new ATOM 0 HG SER A 93 9.305 -0.587 -9.926 1.00 2.32 H new ATOM 1604 N LEU A 94 9.471 -5.636 -8.849 1.00 0.99 N ATOM 1605 CA LEU A 94 9.703 -6.674 -7.858 1.00 0.89 C ATOM 1606 C LEU A 94 10.702 -6.168 -6.820 1.00 1.29 C ATOM 1607 O LEU A 94 11.459 -5.231 -7.094 1.00 1.99 O ATOM 1608 CB LEU A 94 10.230 -7.944 -8.540 1.00 1.28 C ATOM 1609 CG LEU A 94 10.428 -9.159 -7.628 1.00 1.37 C ATOM 1610 CD1 LEU A 94 9.106 -9.607 -7.023 1.00 1.82 C ATOM 1611 CD2 LEU A 94 11.071 -10.302 -8.398 1.00 2.04 C ATOM 0 H LEU A 94 10.162 -5.613 -9.599 1.00 0.99 H new ATOM 0 HA LEU A 94 8.765 -6.918 -7.359 1.00 0.89 H new ATOM 0 HB2 LEU A 94 9.538 -8.220 -9.336 1.00 1.28 H new ATOM 0 HB3 LEU A 94 11.183 -7.710 -9.014 1.00 1.28 H new ATOM 0 HG LEU A 94 11.093 -8.867 -6.815 1.00 1.37 H new ATOM 0 HD11 LEU A 94 9.274 -10.471 -6.380 1.00 1.82 H new ATOM 0 HD12 LEU A 94 8.681 -8.794 -6.435 1.00 1.82 H new ATOM 0 HD13 LEU A 94 8.414 -9.878 -7.821 1.00 1.82 H new ATOM 0 HD21 LEU A 94 11.205 -11.157 -7.736 1.00 2.04 H new ATOM 0 HD22 LEU A 94 10.429 -10.586 -9.232 1.00 2.04 H new ATOM 0 HD23 LEU A 94 12.041 -9.983 -8.779 1.00 2.04 H new ATOM 1623 N VAL A 95 10.691 -6.783 -5.638 1.00 1.62 N ATOM 1624 CA VAL A 95 11.570 -6.391 -4.539 1.00 2.26 C ATOM 1625 C VAL A 95 13.028 -6.264 -4.975 1.00 1.64 C ATOM 1626 O VAL A 95 13.625 -7.209 -5.490 1.00 1.76 O ATOM 1627 CB VAL A 95 11.488 -7.383 -3.355 1.00 3.39 C ATOM 1628 CG1 VAL A 95 10.176 -7.222 -2.613 1.00 4.29 C ATOM 1629 CG2 VAL A 95 11.654 -8.823 -3.827 1.00 3.92 C ATOM 0 H VAL A 95 10.074 -7.565 -5.416 1.00 1.62 H new ATOM 0 HA VAL A 95 11.215 -5.412 -4.216 1.00 2.26 H new ATOM 0 HB VAL A 95 12.307 -7.154 -2.673 1.00 3.39 H new ATOM 0 HG11 VAL A 95 10.138 -7.929 -1.784 1.00 4.29 H new ATOM 0 HG12 VAL A 95 10.098 -6.205 -2.227 1.00 4.29 H new ATOM 0 HG13 VAL A 95 9.347 -7.416 -3.294 1.00 4.29 H new ATOM 0 HG21 VAL A 95 11.592 -9.496 -2.972 1.00 3.92 H new ATOM 0 HG22 VAL A 95 10.865 -9.066 -4.538 1.00 3.92 H new ATOM 0 HG23 VAL A 95 12.625 -8.938 -4.309 1.00 3.92 H new ATOM 1639 N SER A 96 13.582 -5.079 -4.783 1.00 1.30 N ATOM 1640 CA SER A 96 14.986 -4.842 -5.042 1.00 0.98 C ATOM 1641 C SER A 96 15.673 -4.437 -3.748 1.00 0.84 C ATOM 1642 O SER A 96 15.264 -3.480 -3.090 1.00 0.92 O ATOM 1643 CB SER A 96 15.166 -3.752 -6.104 1.00 1.28 C ATOM 1644 OG SER A 96 16.541 -3.488 -6.343 1.00 1.90 O ATOM 0 H SER A 96 13.073 -4.262 -4.446 1.00 1.30 H new ATOM 0 HA SER A 96 15.437 -5.759 -5.422 1.00 0.98 H new ATOM 0 HB2 SER A 96 14.686 -4.063 -7.032 1.00 1.28 H new ATOM 0 HB3 SER A 96 14.669 -2.838 -5.778 1.00 1.28 H new ATOM 0 HG SER A 96 16.626 -2.790 -7.026 1.00 1.90 H new ATOM 1650 N MET A 97 16.715 -5.169 -3.383 1.00 0.90 N ATOM 1651 CA MET A 97 17.435 -4.902 -2.146 1.00 0.98 C ATOM 1652 C MET A 97 18.368 -3.708 -2.303 1.00 0.85 C ATOM 1653 O MET A 97 19.039 -3.300 -1.357 1.00 1.03 O ATOM 1654 CB MET A 97 18.221 -6.139 -1.704 1.00 1.25 C ATOM 1655 CG MET A 97 17.334 -7.305 -1.298 1.00 1.56 C ATOM 1656 SD MET A 97 18.263 -8.691 -0.612 1.00 2.24 S ATOM 1657 CE MET A 97 16.931 -9.828 -0.233 1.00 2.85 C ATOM 0 H MET A 97 17.081 -5.952 -3.925 1.00 0.90 H new ATOM 0 HA MET A 97 16.702 -4.661 -1.376 1.00 0.98 H new ATOM 0 HB2 MET A 97 18.874 -6.455 -2.517 1.00 1.25 H new ATOM 0 HB3 MET A 97 18.863 -5.871 -0.865 1.00 1.25 H new ATOM 0 HG2 MET A 97 16.607 -6.962 -0.562 1.00 1.56 H new ATOM 0 HG3 MET A 97 16.771 -7.646 -2.167 1.00 1.56 H new ATOM 0 HE1 MET A 97 17.343 -10.739 0.201 1.00 2.85 H new ATOM 0 HE2 MET A 97 16.248 -9.364 0.479 1.00 2.85 H new ATOM 0 HE3 MET A 97 16.391 -10.073 -1.147 1.00 2.85 H new ATOM 1667 N SER A 98 18.403 -3.152 -3.503 1.00 0.68 N ATOM 1668 CA SER A 98 19.223 -1.987 -3.776 1.00 0.71 C ATOM 1669 C SER A 98 18.342 -0.753 -3.976 1.00 0.61 C ATOM 1670 O SER A 98 18.829 0.375 -4.000 1.00 0.71 O ATOM 1671 CB SER A 98 20.089 -2.241 -5.018 1.00 0.83 C ATOM 1672 OG SER A 98 21.048 -1.213 -5.205 1.00 1.60 O ATOM 0 H SER A 98 17.871 -3.491 -4.304 1.00 0.68 H new ATOM 0 HA SER A 98 19.878 -1.804 -2.924 1.00 0.71 H new ATOM 0 HB2 SER A 98 20.598 -3.200 -4.918 1.00 0.83 H new ATOM 0 HB3 SER A 98 19.451 -2.309 -5.899 1.00 0.83 H new ATOM 0 HG SER A 98 20.685 -0.364 -4.877 1.00 1.60 H new ATOM 1678 N ALA A 99 17.036 -0.972 -4.098 1.00 0.49 N ATOM 1679 CA ALA A 99 16.104 0.117 -4.365 1.00 0.46 C ATOM 1680 C ALA A 99 15.670 0.806 -3.080 1.00 0.43 C ATOM 1681 O ALA A 99 15.301 0.149 -2.101 1.00 0.44 O ATOM 1682 CB ALA A 99 14.885 -0.391 -5.117 1.00 0.51 C ATOM 0 H ALA A 99 16.601 -1.891 -4.016 1.00 0.49 H new ATOM 0 HA ALA A 99 16.625 0.847 -4.984 1.00 0.46 H new ATOM 0 HB1 ALA A 99 14.203 0.438 -5.306 1.00 0.51 H new ATOM 0 HB2 ALA A 99 15.198 -0.827 -6.066 1.00 0.51 H new ATOM 0 HB3 ALA A 99 14.379 -1.149 -4.519 1.00 0.51 H new ATOM 1688 N THR A 100 15.724 2.128 -3.091 1.00 0.42 N ATOM 1689 CA THR A 100 15.232 2.918 -1.978 1.00 0.41 C ATOM 1690 C THR A 100 13.810 3.374 -2.268 1.00 0.41 C ATOM 1691 O THR A 100 13.430 3.556 -3.429 1.00 0.40 O ATOM 1692 CB THR A 100 16.114 4.161 -1.733 1.00 0.41 C ATOM 1693 OG1 THR A 100 16.079 5.025 -2.877 1.00 0.38 O ATOM 1694 CG2 THR A 100 17.554 3.761 -1.445 1.00 0.47 C ATOM 0 H THR A 100 16.105 2.677 -3.862 1.00 0.42 H new ATOM 0 HA THR A 100 15.259 2.292 -1.086 1.00 0.41 H new ATOM 0 HB THR A 100 15.718 4.688 -0.865 1.00 0.41 H new ATOM 0 HG1 THR A 100 16.640 5.811 -2.711 1.00 0.38 H new ATOM 0 HG21 THR A 100 18.153 4.656 -1.276 1.00 0.47 H new ATOM 0 HG22 THR A 100 17.586 3.130 -0.557 1.00 0.47 H new ATOM 0 HG23 THR A 100 17.956 3.210 -2.296 1.00 0.47 H new ATOM 1702 N MET A 101 13.028 3.566 -1.214 1.00 0.43 N ATOM 1703 CA MET A 101 11.661 4.041 -1.355 1.00 0.45 C ATOM 1704 C MET A 101 11.627 5.435 -1.964 1.00 0.39 C ATOM 1705 O MET A 101 10.631 5.823 -2.562 1.00 0.39 O ATOM 1706 CB MET A 101 10.940 4.026 -0.006 1.00 0.54 C ATOM 1707 CG MET A 101 10.133 2.758 0.228 1.00 0.71 C ATOM 1708 SD MET A 101 11.069 1.260 -0.132 1.00 1.18 S ATOM 1709 CE MET A 101 9.809 0.017 0.122 1.00 0.89 C ATOM 0 H MET A 101 13.319 3.399 -0.251 1.00 0.43 H new ATOM 0 HA MET A 101 11.139 3.364 -2.031 1.00 0.45 H new ATOM 0 HB2 MET A 101 11.674 4.134 0.792 1.00 0.54 H new ATOM 0 HB3 MET A 101 10.275 4.888 0.053 1.00 0.54 H new ATOM 0 HG2 MET A 101 9.798 2.732 1.265 1.00 0.71 H new ATOM 0 HG3 MET A 101 9.239 2.781 -0.395 1.00 0.71 H new ATOM 0 HE1 MET A 101 10.227 -0.813 0.691 1.00 0.89 H new ATOM 0 HE2 MET A 101 8.975 0.452 0.673 1.00 0.89 H new ATOM 0 HE3 MET A 101 9.456 -0.346 -0.843 1.00 0.89 H new ATOM 1719 N ALA A 102 12.716 6.179 -1.805 1.00 0.38 N ATOM 1720 CA ALA A 102 12.840 7.497 -2.418 1.00 0.37 C ATOM 1721 C ALA A 102 12.716 7.394 -3.933 1.00 0.35 C ATOM 1722 O ALA A 102 11.918 8.100 -4.555 1.00 0.39 O ATOM 1723 CB ALA A 102 14.170 8.132 -2.044 1.00 0.37 C ATOM 0 H ALA A 102 13.526 5.892 -1.256 1.00 0.38 H new ATOM 0 HA ALA A 102 12.033 8.127 -2.044 1.00 0.37 H new ATOM 0 HB1 ALA A 102 14.248 9.115 -2.509 1.00 0.37 H new ATOM 0 HB2 ALA A 102 14.231 8.237 -0.961 1.00 0.37 H new ATOM 0 HB3 ALA A 102 14.986 7.500 -2.394 1.00 0.37 H new ATOM 1729 N GLU A 103 13.504 6.498 -4.516 1.00 0.34 N ATOM 1730 CA GLU A 103 13.475 6.274 -5.956 1.00 0.36 C ATOM 1731 C GLU A 103 12.126 5.711 -6.376 1.00 0.37 C ATOM 1732 O GLU A 103 11.532 6.150 -7.366 1.00 0.39 O ATOM 1733 CB GLU A 103 14.582 5.301 -6.349 1.00 0.39 C ATOM 1734 CG GLU A 103 15.949 5.719 -5.846 1.00 0.40 C ATOM 1735 CD GLU A 103 16.956 4.594 -5.905 1.00 0.43 C ATOM 1736 OE1 GLU A 103 16.800 3.618 -5.144 1.00 0.46 O ATOM 1737 OE2 GLU A 103 17.912 4.685 -6.700 1.00 0.53 O ATOM 0 H GLU A 103 14.172 5.914 -4.012 1.00 0.34 H new ATOM 0 HA GLU A 103 13.633 7.226 -6.462 1.00 0.36 H new ATOM 0 HB2 GLU A 103 14.344 4.312 -5.957 1.00 0.39 H new ATOM 0 HB3 GLU A 103 14.612 5.214 -7.435 1.00 0.39 H new ATOM 0 HG2 GLU A 103 16.311 6.558 -6.441 1.00 0.40 H new ATOM 0 HG3 GLU A 103 15.862 6.071 -4.818 1.00 0.40 H new ATOM 1744 N ILE A 104 11.648 4.746 -5.602 1.00 0.36 N ATOM 1745 CA ILE A 104 10.374 4.094 -5.873 1.00 0.37 C ATOM 1746 C ILE A 104 9.226 5.106 -5.869 1.00 0.36 C ATOM 1747 O ILE A 104 8.411 5.133 -6.787 1.00 0.38 O ATOM 1748 CB ILE A 104 10.081 2.980 -4.841 1.00 0.38 C ATOM 1749 CG1 ILE A 104 11.171 1.901 -4.882 1.00 0.41 C ATOM 1750 CG2 ILE A 104 8.714 2.362 -5.089 1.00 0.39 C ATOM 1751 CD1 ILE A 104 11.305 1.208 -6.223 1.00 0.45 C ATOM 0 H ILE A 104 12.129 4.395 -4.774 1.00 0.36 H new ATOM 0 HA ILE A 104 10.449 3.644 -6.863 1.00 0.37 H new ATOM 0 HB ILE A 104 10.080 3.431 -3.849 1.00 0.38 H new ATOM 0 HG12 ILE A 104 12.127 2.356 -4.623 1.00 0.41 H new ATOM 0 HG13 ILE A 104 10.956 1.153 -4.119 1.00 0.41 H new ATOM 0 HG21 ILE A 104 8.529 1.581 -4.352 1.00 0.39 H new ATOM 0 HG22 ILE A 104 7.946 3.131 -5.004 1.00 0.39 H new ATOM 0 HG23 ILE A 104 8.686 1.931 -6.090 1.00 0.39 H new ATOM 0 HD11 ILE A 104 12.096 0.460 -6.169 1.00 0.45 H new ATOM 0 HD12 ILE A 104 10.363 0.722 -6.477 1.00 0.45 H new ATOM 0 HD13 ILE A 104 11.552 1.943 -6.989 1.00 0.45 H new ATOM 1763 N TYR A 105 9.187 5.945 -4.838 1.00 0.36 N ATOM 1764 CA TYR A 105 8.150 6.964 -4.698 1.00 0.39 C ATOM 1765 C TYR A 105 8.131 7.894 -5.902 1.00 0.41 C ATOM 1766 O TYR A 105 7.090 8.094 -6.523 1.00 0.44 O ATOM 1767 CB TYR A 105 8.378 7.775 -3.417 1.00 0.42 C ATOM 1768 CG TYR A 105 7.510 9.012 -3.297 1.00 0.48 C ATOM 1769 CD1 TYR A 105 6.156 8.913 -3.002 1.00 1.12 C ATOM 1770 CD2 TYR A 105 8.049 10.282 -3.474 1.00 1.45 C ATOM 1771 CE1 TYR A 105 5.364 10.039 -2.890 1.00 1.11 C ATOM 1772 CE2 TYR A 105 7.264 11.413 -3.363 1.00 1.56 C ATOM 1773 CZ TYR A 105 5.923 11.287 -3.070 1.00 0.71 C ATOM 1774 OH TYR A 105 5.136 12.411 -2.952 1.00 0.86 O ATOM 0 H TYR A 105 9.869 5.939 -4.080 1.00 0.36 H new ATOM 0 HA TYR A 105 7.186 6.460 -4.639 1.00 0.39 H new ATOM 0 HB2 TYR A 105 8.194 7.132 -2.557 1.00 0.42 H new ATOM 0 HB3 TYR A 105 9.425 8.075 -3.373 1.00 0.42 H new ATOM 0 HD1 TYR A 105 5.715 7.938 -2.858 1.00 1.12 H new ATOM 0 HD2 TYR A 105 9.100 10.386 -3.702 1.00 1.45 H new ATOM 0 HE1 TYR A 105 4.313 9.943 -2.663 1.00 1.11 H new ATOM 0 HE2 TYR A 105 7.699 12.391 -3.505 1.00 1.56 H new ATOM 0 HH TYR A 105 4.627 12.368 -2.115 1.00 0.86 H new ATOM 1784 N ARG A 106 9.295 8.437 -6.229 1.00 0.44 N ATOM 1785 CA ARG A 106 9.418 9.428 -7.289 1.00 0.50 C ATOM 1786 C ARG A 106 8.880 8.900 -8.618 1.00 0.51 C ATOM 1787 O ARG A 106 8.249 9.634 -9.381 1.00 0.58 O ATOM 1788 CB ARG A 106 10.884 9.835 -7.444 1.00 0.56 C ATOM 1789 CG ARG A 106 11.120 10.887 -8.512 1.00 1.25 C ATOM 1790 CD ARG A 106 12.603 11.125 -8.734 1.00 1.75 C ATOM 1791 NE ARG A 106 12.849 12.110 -9.783 1.00 2.50 N ATOM 1792 CZ ARG A 106 13.949 12.144 -10.531 1.00 3.33 C ATOM 1793 NH1 ARG A 106 14.909 11.245 -10.357 1.00 3.62 N ATOM 1794 NH2 ARG A 106 14.088 13.084 -11.453 1.00 4.23 N ATOM 0 H ARG A 106 10.176 8.205 -5.770 1.00 0.44 H new ATOM 0 HA ARG A 106 8.821 10.297 -7.011 1.00 0.50 H new ATOM 0 HB2 ARG A 106 11.249 10.213 -6.489 1.00 0.56 H new ATOM 0 HB3 ARG A 106 11.473 8.950 -7.683 1.00 0.56 H new ATOM 0 HG2 ARG A 106 10.657 10.570 -9.446 1.00 1.25 H new ATOM 0 HG3 ARG A 106 10.640 11.820 -8.218 1.00 1.25 H new ATOM 0 HD2 ARG A 106 13.059 11.465 -7.804 1.00 1.75 H new ATOM 0 HD3 ARG A 106 13.085 10.184 -9.000 1.00 1.75 H new ATOM 0 HE ARG A 106 12.133 12.816 -9.953 1.00 2.50 H new ATOM 0 HH11 ARG A 106 14.807 10.521 -9.646 1.00 3.62 H new ATOM 0 HH12 ARG A 106 15.749 11.278 -10.934 1.00 3.62 H new ATOM 0 HH21 ARG A 106 13.353 13.779 -11.588 1.00 4.23 H new ATOM 0 HH22 ARG A 106 14.930 13.113 -12.028 1.00 4.23 H new ATOM 1808 N ASP A 107 9.116 7.625 -8.887 1.00 0.50 N ATOM 1809 CA ASP A 107 8.757 7.054 -10.176 1.00 0.55 C ATOM 1810 C ASP A 107 7.375 6.414 -10.153 1.00 0.51 C ATOM 1811 O ASP A 107 6.531 6.705 -10.999 1.00 0.62 O ATOM 1812 CB ASP A 107 9.789 6.009 -10.591 1.00 0.61 C ATOM 1813 CG ASP A 107 9.658 5.616 -12.049 1.00 0.96 C ATOM 1814 OD1 ASP A 107 10.114 6.390 -12.915 1.00 1.77 O ATOM 1815 OD2 ASP A 107 9.107 4.537 -12.339 1.00 1.49 O ATOM 0 H ASP A 107 9.551 6.971 -8.236 1.00 0.50 H new ATOM 0 HA ASP A 107 8.739 7.871 -10.897 1.00 0.55 H new ATOM 0 HB2 ASP A 107 10.791 6.400 -10.411 1.00 0.61 H new ATOM 0 HB3 ASP A 107 9.676 5.123 -9.967 1.00 0.61 H new ATOM 1820 N TYR A 108 7.141 5.559 -9.171 1.00 0.41 N ATOM 1821 CA TYR A 108 5.971 4.684 -9.185 1.00 0.39 C ATOM 1822 C TYR A 108 4.793 5.235 -8.386 1.00 0.38 C ATOM 1823 O TYR A 108 3.820 4.521 -8.146 1.00 0.40 O ATOM 1824 CB TYR A 108 6.354 3.296 -8.674 1.00 0.40 C ATOM 1825 CG TYR A 108 7.475 2.676 -9.468 1.00 0.45 C ATOM 1826 CD1 TYR A 108 7.224 2.008 -10.658 1.00 1.32 C ATOM 1827 CD2 TYR A 108 8.788 2.778 -9.036 1.00 1.20 C ATOM 1828 CE1 TYR A 108 8.253 1.457 -11.393 1.00 1.36 C ATOM 1829 CE2 TYR A 108 9.823 2.234 -9.764 1.00 1.25 C ATOM 1830 CZ TYR A 108 9.550 1.572 -10.941 1.00 0.63 C ATOM 1831 OH TYR A 108 10.582 1.026 -11.672 1.00 0.75 O ATOM 0 H TYR A 108 7.742 5.449 -8.354 1.00 0.41 H new ATOM 0 HA TYR A 108 5.637 4.623 -10.221 1.00 0.39 H new ATOM 0 HB2 TYR A 108 6.651 3.367 -7.628 1.00 0.40 H new ATOM 0 HB3 TYR A 108 5.481 2.644 -8.714 1.00 0.40 H new ATOM 0 HD1 TYR A 108 6.208 1.918 -11.014 1.00 1.32 H new ATOM 0 HD2 TYR A 108 9.003 3.293 -8.112 1.00 1.20 H new ATOM 0 HE1 TYR A 108 8.044 0.939 -12.317 1.00 1.36 H new ATOM 0 HE2 TYR A 108 10.841 2.326 -9.415 1.00 1.25 H new ATOM 0 HH TYR A 108 11.432 1.196 -11.215 1.00 0.75 H new ATOM 1841 N LYS A 109 4.873 6.493 -7.974 1.00 0.42 N ATOM 1842 CA LYS A 109 3.717 7.158 -7.375 1.00 0.45 C ATOM 1843 C LYS A 109 2.542 7.121 -8.355 1.00 0.43 C ATOM 1844 O LYS A 109 2.676 7.513 -9.517 1.00 0.49 O ATOM 1845 CB LYS A 109 4.066 8.602 -7.000 1.00 0.55 C ATOM 1846 CG LYS A 109 4.649 9.406 -8.147 1.00 0.98 C ATOM 1847 CD LYS A 109 5.049 10.802 -7.710 1.00 0.95 C ATOM 1848 CE LYS A 109 5.609 11.596 -8.877 1.00 1.05 C ATOM 1849 NZ LYS A 109 6.017 12.967 -8.479 1.00 1.82 N ATOM 0 H LYS A 109 5.712 7.069 -8.041 1.00 0.42 H new ATOM 0 HA LYS A 109 3.433 6.633 -6.463 1.00 0.45 H new ATOM 0 HB2 LYS A 109 3.167 9.101 -6.638 1.00 0.55 H new ATOM 0 HB3 LYS A 109 4.779 8.592 -6.176 1.00 0.55 H new ATOM 0 HG2 LYS A 109 5.520 8.887 -8.549 1.00 0.98 H new ATOM 0 HG3 LYS A 109 3.918 9.473 -8.953 1.00 0.98 H new ATOM 0 HD2 LYS A 109 4.184 11.319 -7.295 1.00 0.95 H new ATOM 0 HD3 LYS A 109 5.794 10.740 -6.917 1.00 0.95 H new ATOM 0 HE2 LYS A 109 6.468 11.070 -9.293 1.00 1.05 H new ATOM 0 HE3 LYS A 109 4.859 11.657 -9.666 1.00 1.05 H new ATOM 0 HZ1 LYS A 109 6.393 13.472 -9.307 1.00 1.82 H new ATOM 0 HZ2 LYS A 109 5.193 13.480 -8.106 1.00 1.82 H new ATOM 0 HZ3 LYS A 109 6.752 12.911 -7.745 1.00 1.82 H new ATOM 1863 N ASP A 110 1.402 6.630 -7.887 1.00 0.39 N ATOM 1864 CA ASP A 110 0.242 6.421 -8.751 1.00 0.43 C ATOM 1865 C ASP A 110 -0.406 7.760 -9.106 1.00 0.50 C ATOM 1866 O ASP A 110 0.079 8.810 -8.684 1.00 0.51 O ATOM 1867 CB ASP A 110 -0.766 5.494 -8.058 1.00 0.48 C ATOM 1868 CG ASP A 110 -1.763 4.869 -9.015 1.00 0.60 C ATOM 1869 OD1 ASP A 110 -1.418 3.865 -9.669 1.00 1.35 O ATOM 1870 OD2 ASP A 110 -2.904 5.369 -9.111 1.00 1.20 O ATOM 0 H ASP A 110 1.253 6.368 -6.913 1.00 0.39 H new ATOM 0 HA ASP A 110 0.569 5.948 -9.677 1.00 0.43 H new ATOM 0 HB2 ASP A 110 -0.225 4.702 -7.540 1.00 0.48 H new ATOM 0 HB3 ASP A 110 -1.307 6.059 -7.299 1.00 0.48 H new ATOM 1875 N GLU A 111 -1.495 7.731 -9.867 1.00 0.60 N ATOM 1876 CA GLU A 111 -2.151 8.955 -10.328 1.00 0.71 C ATOM 1877 C GLU A 111 -2.527 9.860 -9.159 1.00 0.65 C ATOM 1878 O GLU A 111 -2.367 11.083 -9.231 1.00 0.74 O ATOM 1879 CB GLU A 111 -3.404 8.619 -11.138 1.00 0.87 C ATOM 1880 CG GLU A 111 -3.116 7.853 -12.417 1.00 1.94 C ATOM 1881 CD GLU A 111 -2.276 8.646 -13.394 1.00 2.43 C ATOM 1882 OE1 GLU A 111 -2.853 9.399 -14.209 1.00 2.97 O ATOM 1883 OE2 GLU A 111 -1.034 8.517 -13.361 1.00 2.86 O ATOM 0 H GLU A 111 -1.945 6.871 -10.180 1.00 0.60 H new ATOM 0 HA GLU A 111 -1.442 9.487 -10.962 1.00 0.71 H new ATOM 0 HB2 GLU A 111 -4.080 8.031 -10.517 1.00 0.87 H new ATOM 0 HB3 GLU A 111 -3.923 9.544 -11.388 1.00 0.87 H new ATOM 0 HG2 GLU A 111 -2.601 6.924 -12.172 1.00 1.94 H new ATOM 0 HG3 GLU A 111 -4.058 7.579 -12.892 1.00 1.94 H new ATOM 1890 N ASP A 112 -3.004 9.255 -8.081 1.00 0.57 N ATOM 1891 CA ASP A 112 -3.432 10.005 -6.906 1.00 0.55 C ATOM 1892 C ASP A 112 -2.240 10.471 -6.069 1.00 0.52 C ATOM 1893 O ASP A 112 -2.390 11.300 -5.174 1.00 0.56 O ATOM 1894 CB ASP A 112 -4.392 9.175 -6.046 1.00 0.59 C ATOM 1895 CG ASP A 112 -3.849 7.806 -5.682 1.00 0.58 C ATOM 1896 OD1 ASP A 112 -2.738 7.728 -5.138 1.00 0.77 O ATOM 1897 OD2 ASP A 112 -4.555 6.797 -5.932 1.00 0.63 O ATOM 0 H ASP A 112 -3.105 8.244 -7.994 1.00 0.57 H new ATOM 0 HA ASP A 112 -3.959 10.890 -7.263 1.00 0.55 H new ATOM 0 HB2 ASP A 112 -4.614 9.724 -5.131 1.00 0.59 H new ATOM 0 HB3 ASP A 112 -5.334 9.053 -6.581 1.00 0.59 H new ATOM 1902 N GLY A 113 -1.060 9.944 -6.370 1.00 0.47 N ATOM 1903 CA GLY A 113 0.142 10.383 -5.689 1.00 0.45 C ATOM 1904 C GLY A 113 0.697 9.345 -4.734 1.00 0.36 C ATOM 1905 O GLY A 113 1.884 9.375 -4.404 1.00 0.37 O ATOM 0 H GLY A 113 -0.914 9.220 -7.074 1.00 0.47 H new ATOM 0 HA2 GLY A 113 0.902 10.630 -6.430 1.00 0.45 H new ATOM 0 HA3 GLY A 113 -0.074 11.298 -5.137 1.00 0.45 H new ATOM 1909 N PHE A 114 -0.146 8.425 -4.290 1.00 0.39 N ATOM 1910 CA PHE A 114 0.281 7.404 -3.341 1.00 0.34 C ATOM 1911 C PHE A 114 1.029 6.284 -4.049 1.00 0.34 C ATOM 1912 O PHE A 114 0.808 6.024 -5.233 1.00 0.40 O ATOM 1913 CB PHE A 114 -0.920 6.819 -2.595 1.00 0.37 C ATOM 1914 CG PHE A 114 -1.552 7.760 -1.609 1.00 0.41 C ATOM 1915 CD1 PHE A 114 -2.550 8.637 -2.004 1.00 1.30 C ATOM 1916 CD2 PHE A 114 -1.150 7.758 -0.284 1.00 1.03 C ATOM 1917 CE1 PHE A 114 -3.135 9.494 -1.093 1.00 1.35 C ATOM 1918 CE2 PHE A 114 -1.733 8.613 0.631 1.00 1.03 C ATOM 1919 CZ PHE A 114 -2.726 9.482 0.224 1.00 0.54 C ATOM 0 H PHE A 114 -1.125 8.363 -4.569 1.00 0.39 H new ATOM 0 HA PHE A 114 0.949 7.881 -2.624 1.00 0.34 H new ATOM 0 HB2 PHE A 114 -1.672 6.515 -3.323 1.00 0.37 H new ATOM 0 HB3 PHE A 114 -0.603 5.919 -2.069 1.00 0.37 H new ATOM 0 HD1 PHE A 114 -2.873 8.650 -3.034 1.00 1.30 H new ATOM 0 HD2 PHE A 114 -0.372 7.081 0.037 1.00 1.03 H new ATOM 0 HE1 PHE A 114 -3.912 10.173 -1.412 1.00 1.35 H new ATOM 0 HE2 PHE A 114 -1.413 8.602 1.662 1.00 1.03 H new ATOM 0 HZ PHE A 114 -3.182 10.152 0.937 1.00 0.54 H new ATOM 1929 N VAL A 115 1.923 5.630 -3.327 1.00 0.29 N ATOM 1930 CA VAL A 115 2.624 4.476 -3.863 1.00 0.30 C ATOM 1931 C VAL A 115 1.917 3.207 -3.419 1.00 0.27 C ATOM 1932 O VAL A 115 1.932 2.865 -2.239 1.00 0.31 O ATOM 1933 CB VAL A 115 4.095 4.433 -3.402 1.00 0.37 C ATOM 1934 CG1 VAL A 115 4.832 3.276 -4.061 1.00 0.89 C ATOM 1935 CG2 VAL A 115 4.787 5.750 -3.705 1.00 1.06 C ATOM 0 H VAL A 115 2.180 5.877 -2.371 1.00 0.29 H new ATOM 0 HA VAL A 115 2.617 4.554 -4.950 1.00 0.30 H new ATOM 0 HB VAL A 115 4.111 4.277 -2.323 1.00 0.37 H new ATOM 0 HG11 VAL A 115 5.868 3.264 -3.722 1.00 0.89 H new ATOM 0 HG12 VAL A 115 4.351 2.336 -3.790 1.00 0.89 H new ATOM 0 HG13 VAL A 115 4.806 3.398 -5.144 1.00 0.89 H new ATOM 0 HG21 VAL A 115 5.824 5.701 -3.373 1.00 1.06 H new ATOM 0 HG22 VAL A 115 4.758 5.938 -4.778 1.00 1.06 H new ATOM 0 HG23 VAL A 115 4.276 6.558 -3.182 1.00 1.06 H new ATOM 1945 N TYR A 116 1.278 2.525 -4.350 1.00 0.33 N ATOM 1946 CA TYR A 116 0.520 1.329 -4.019 1.00 0.34 C ATOM 1947 C TYR A 116 1.356 0.084 -4.235 1.00 0.38 C ATOM 1948 O TYR A 116 1.856 -0.161 -5.329 1.00 0.49 O ATOM 1949 CB TYR A 116 -0.763 1.256 -4.846 1.00 0.39 C ATOM 1950 CG TYR A 116 -1.740 2.358 -4.515 1.00 0.39 C ATOM 1951 CD1 TYR A 116 -1.595 3.622 -5.062 1.00 1.19 C ATOM 1952 CD2 TYR A 116 -2.800 2.136 -3.645 1.00 1.28 C ATOM 1953 CE1 TYR A 116 -2.471 4.637 -4.752 1.00 1.19 C ATOM 1954 CE2 TYR A 116 -3.688 3.149 -3.332 1.00 1.31 C ATOM 1955 CZ TYR A 116 -3.515 4.398 -3.888 1.00 0.48 C ATOM 1956 OH TYR A 116 -4.389 5.415 -3.586 1.00 0.54 O ATOM 0 H TYR A 116 1.267 2.776 -5.339 1.00 0.33 H new ATOM 0 HA TYR A 116 0.250 1.383 -2.964 1.00 0.34 H new ATOM 0 HB2 TYR A 116 -0.510 1.308 -5.905 1.00 0.39 H new ATOM 0 HB3 TYR A 116 -1.242 0.291 -4.680 1.00 0.39 H new ATOM 0 HD1 TYR A 116 -0.780 3.815 -5.744 1.00 1.19 H new ATOM 0 HD2 TYR A 116 -2.933 1.158 -3.207 1.00 1.28 H new ATOM 0 HE1 TYR A 116 -2.340 5.618 -5.185 1.00 1.19 H new ATOM 0 HE2 TYR A 116 -4.510 2.963 -2.657 1.00 1.31 H new ATOM 0 HH TYR A 116 -4.630 5.893 -4.407 1.00 0.54 H new ATOM 1966 N MET A 117 1.511 -0.693 -3.182 1.00 0.35 N ATOM 1967 CA MET A 117 2.281 -1.918 -3.250 1.00 0.39 C ATOM 1968 C MET A 117 1.403 -3.109 -2.916 1.00 0.34 C ATOM 1969 O MET A 117 0.384 -2.978 -2.237 1.00 0.45 O ATOM 1970 CB MET A 117 3.486 -1.857 -2.309 1.00 0.49 C ATOM 1971 CG MET A 117 4.492 -0.785 -2.697 1.00 0.65 C ATOM 1972 SD MET A 117 5.957 -0.776 -1.648 1.00 0.70 S ATOM 1973 CE MET A 117 6.866 0.576 -2.390 1.00 1.19 C ATOM 0 H MET A 117 1.111 -0.496 -2.264 1.00 0.35 H new ATOM 0 HA MET A 117 2.654 -2.034 -4.268 1.00 0.39 H new ATOM 0 HB2 MET A 117 3.137 -1.669 -1.294 1.00 0.49 H new ATOM 0 HB3 MET A 117 3.983 -2.827 -2.301 1.00 0.49 H new ATOM 0 HG2 MET A 117 4.795 -0.938 -3.733 1.00 0.65 H new ATOM 0 HG3 MET A 117 4.011 0.192 -2.647 1.00 0.65 H new ATOM 0 HE1 MET A 117 7.879 0.249 -2.623 1.00 1.19 H new ATOM 0 HE2 MET A 117 6.367 0.891 -3.306 1.00 1.19 H new ATOM 0 HE3 MET A 117 6.906 1.413 -1.693 1.00 1.19 H new ATOM 1983 N THR A 118 1.793 -4.263 -3.411 1.00 0.34 N ATOM 1984 CA THR A 118 1.020 -5.472 -3.234 1.00 0.33 C ATOM 1985 C THR A 118 1.938 -6.629 -2.871 1.00 0.33 C ATOM 1986 O THR A 118 2.974 -6.820 -3.499 1.00 0.37 O ATOM 1987 CB THR A 118 0.256 -5.791 -4.530 1.00 0.43 C ATOM 1988 OG1 THR A 118 -0.638 -4.709 -4.832 1.00 0.92 O ATOM 1989 CG2 THR A 118 -0.527 -7.089 -4.414 1.00 0.85 C ATOM 0 H THR A 118 2.652 -4.389 -3.946 1.00 0.34 H new ATOM 0 HA THR A 118 0.305 -5.325 -2.424 1.00 0.33 H new ATOM 0 HB THR A 118 0.983 -5.913 -5.333 1.00 0.43 H new ATOM 0 HG1 THR A 118 -1.125 -4.908 -5.658 1.00 0.92 H new ATOM 0 HG21 THR A 118 -1.054 -7.281 -5.349 1.00 0.85 H new ATOM 0 HG22 THR A 118 0.159 -7.911 -4.209 1.00 0.85 H new ATOM 0 HG23 THR A 118 -1.249 -7.007 -3.601 1.00 0.85 H new ATOM 1997 N TYR A 119 1.568 -7.399 -1.865 1.00 0.35 N ATOM 1998 CA TYR A 119 2.400 -8.510 -1.435 1.00 0.41 C ATOM 1999 C TYR A 119 1.656 -9.831 -1.581 1.00 0.48 C ATOM 2000 O TYR A 119 0.446 -9.908 -1.346 1.00 0.49 O ATOM 2001 CB TYR A 119 2.887 -8.302 0.011 1.00 0.42 C ATOM 2002 CG TYR A 119 1.786 -8.220 1.051 1.00 0.39 C ATOM 2003 CD1 TYR A 119 0.965 -7.103 1.142 1.00 1.09 C ATOM 2004 CD2 TYR A 119 1.571 -9.262 1.944 1.00 1.18 C ATOM 2005 CE1 TYR A 119 -0.040 -7.029 2.089 1.00 1.15 C ATOM 2006 CE2 TYR A 119 0.564 -9.197 2.891 1.00 1.20 C ATOM 2007 CZ TYR A 119 -0.237 -8.079 2.958 1.00 0.56 C ATOM 2008 OH TYR A 119 -1.243 -8.010 3.894 1.00 0.70 O ATOM 0 H TYR A 119 0.706 -7.279 -1.334 1.00 0.35 H new ATOM 0 HA TYR A 119 3.278 -8.548 -2.080 1.00 0.41 H new ATOM 0 HB2 TYR A 119 3.556 -9.121 0.275 1.00 0.42 H new ATOM 0 HB3 TYR A 119 3.475 -7.385 0.052 1.00 0.42 H new ATOM 0 HD1 TYR A 119 1.114 -6.278 0.461 1.00 1.09 H new ATOM 0 HD2 TYR A 119 2.201 -10.138 1.898 1.00 1.18 H new ATOM 0 HE1 TYR A 119 -0.667 -6.152 2.147 1.00 1.15 H new ATOM 0 HE2 TYR A 119 0.407 -10.019 3.574 1.00 1.20 H new ATOM 0 HH TYR A 119 -1.409 -8.903 4.262 1.00 0.70 H new ATOM 2018 N ALA A 120 2.386 -10.857 -1.993 1.00 0.57 N ATOM 2019 CA ALA A 120 1.826 -12.188 -2.172 1.00 0.71 C ATOM 2020 C ALA A 120 2.839 -13.238 -1.756 1.00 0.84 C ATOM 2021 O ALA A 120 4.037 -12.957 -1.735 1.00 0.86 O ATOM 2022 CB ALA A 120 1.417 -12.409 -3.622 1.00 0.79 C ATOM 0 H ALA A 120 3.380 -10.791 -2.212 1.00 0.57 H new ATOM 0 HA ALA A 120 0.939 -12.276 -1.544 1.00 0.71 H new ATOM 0 HB1 ALA A 120 1.001 -13.410 -3.734 1.00 0.79 H new ATOM 0 HB2 ALA A 120 0.667 -11.670 -3.905 1.00 0.79 H new ATOM 0 HB3 ALA A 120 2.290 -12.305 -4.266 1.00 0.79 H new ATOM 2028 N SER A 121 2.376 -14.432 -1.417 1.00 1.00 N ATOM 2029 CA SER A 121 3.278 -15.495 -1.007 1.00 1.16 C ATOM 2030 C SER A 121 4.209 -15.868 -2.157 1.00 0.69 C ATOM 2031 O SER A 121 5.412 -15.610 -2.101 1.00 1.07 O ATOM 2032 CB SER A 121 2.493 -16.718 -0.528 1.00 1.88 C ATOM 2033 OG SER A 121 3.362 -17.705 0.006 1.00 2.69 O ATOM 0 H SER A 121 1.388 -14.687 -1.418 1.00 1.00 H new ATOM 0 HA SER A 121 3.882 -15.135 -0.174 1.00 1.16 H new ATOM 0 HB2 SER A 121 1.770 -16.416 0.230 1.00 1.88 H new ATOM 0 HB3 SER A 121 1.926 -17.139 -1.359 1.00 1.88 H new ATOM 0 HG SER A 121 2.836 -18.476 0.307 1.00 2.69 H new ATOM 2039 N GLN A 122 3.647 -16.457 -3.206 1.00 1.13 N ATOM 2040 CA GLN A 122 4.423 -16.839 -4.377 1.00 1.61 C ATOM 2041 C GLN A 122 3.587 -16.680 -5.635 1.00 2.23 C ATOM 2042 O GLN A 122 2.448 -17.142 -5.694 1.00 2.63 O ATOM 2043 CB GLN A 122 4.908 -18.291 -4.275 1.00 2.34 C ATOM 2044 CG GLN A 122 5.950 -18.528 -3.196 1.00 2.78 C ATOM 2045 CD GLN A 122 6.468 -19.952 -3.196 1.00 3.64 C ATOM 2046 OE1 GLN A 122 5.926 -20.823 -2.515 1.00 4.18 O ATOM 2047 NE2 GLN A 122 7.518 -20.199 -3.959 1.00 4.22 N ATOM 0 H GLN A 122 2.654 -16.680 -3.268 1.00 1.13 H new ATOM 0 HA GLN A 122 5.292 -16.183 -4.425 1.00 1.61 H new ATOM 0 HB2 GLN A 122 4.050 -18.936 -4.083 1.00 2.34 H new ATOM 0 HB3 GLN A 122 5.323 -18.591 -5.237 1.00 2.34 H new ATOM 0 HG2 GLN A 122 6.784 -17.841 -3.343 1.00 2.78 H new ATOM 0 HG3 GLN A 122 5.518 -18.301 -2.221 1.00 2.78 H new ATOM 0 HE21 GLN A 122 7.937 -19.449 -4.508 1.00 4.22 H new ATOM 0 HE22 GLN A 122 7.909 -21.140 -3.999 1.00 4.22 H new ATOM 2056 N GLU A 123 4.151 -16.035 -6.640 1.00 2.65 N ATOM 2057 CA GLU A 123 3.467 -15.882 -7.910 1.00 3.47 C ATOM 2058 C GLU A 123 3.872 -16.999 -8.858 1.00 4.01 C ATOM 2059 O GLU A 123 4.617 -16.781 -9.816 1.00 4.36 O ATOM 2060 CB GLU A 123 3.766 -14.525 -8.547 1.00 3.93 C ATOM 2061 CG GLU A 123 3.242 -13.343 -7.750 1.00 4.58 C ATOM 2062 CD GLU A 123 3.338 -12.048 -8.527 1.00 5.36 C ATOM 2063 OE1 GLU A 123 4.405 -11.402 -8.485 1.00 5.57 O ATOM 2064 OE2 GLU A 123 2.351 -11.683 -9.204 1.00 6.07 O ATOM 0 H GLU A 123 5.078 -15.610 -6.602 1.00 2.65 H new ATOM 0 HA GLU A 123 2.395 -15.936 -7.721 1.00 3.47 H new ATOM 0 HB2 GLU A 123 4.844 -14.421 -8.667 1.00 3.93 H new ATOM 0 HB3 GLU A 123 3.330 -14.499 -9.546 1.00 3.93 H new ATOM 0 HG2 GLU A 123 2.203 -13.524 -7.474 1.00 4.58 H new ATOM 0 HG3 GLU A 123 3.807 -13.252 -6.822 1.00 4.58 H new ATOM 2071 N THR A 124 3.385 -18.198 -8.579 1.00 4.46 N ATOM 2072 CA THR A 124 3.666 -19.350 -9.416 1.00 5.15 C ATOM 2073 C THR A 124 2.833 -19.297 -10.692 1.00 5.52 C ATOM 2074 O THR A 124 1.930 -20.109 -10.900 1.00 6.17 O ATOM 2075 CB THR A 124 3.392 -20.664 -8.659 1.00 5.88 C ATOM 2076 OG1 THR A 124 2.083 -20.635 -8.069 1.00 5.92 O ATOM 2077 CG2 THR A 124 4.430 -20.888 -7.568 1.00 6.51 C ATOM 0 H THR A 124 2.790 -18.397 -7.775 1.00 4.46 H new ATOM 0 HA THR A 124 4.723 -19.322 -9.682 1.00 5.15 H new ATOM 0 HB THR A 124 3.451 -21.482 -9.376 1.00 5.88 H new ATOM 0 HG1 THR A 124 1.411 -20.503 -8.770 1.00 5.92 H new ATOM 0 HG21 THR A 124 4.215 -21.822 -7.048 1.00 6.51 H new ATOM 0 HG22 THR A 124 5.422 -20.942 -8.016 1.00 6.51 H new ATOM 0 HG23 THR A 124 4.396 -20.061 -6.858 1.00 6.51 H new ATOM 2085 N PHE A 125 3.133 -18.321 -11.528 1.00 5.46 N ATOM 2086 CA PHE A 125 2.398 -18.097 -12.756 1.00 6.16 C ATOM 2087 C PHE A 125 3.338 -17.534 -13.815 1.00 6.88 C ATOM 2088 O PHE A 125 4.505 -17.250 -13.531 1.00 7.17 O ATOM 2089 CB PHE A 125 1.227 -17.139 -12.485 1.00 6.69 C ATOM 2090 CG PHE A 125 0.293 -16.930 -13.643 1.00 7.02 C ATOM 2091 CD1 PHE A 125 -0.386 -18.000 -14.206 1.00 7.20 C ATOM 2092 CD2 PHE A 125 0.094 -15.664 -14.168 1.00 7.48 C ATOM 2093 CE1 PHE A 125 -1.244 -17.810 -15.269 1.00 7.81 C ATOM 2094 CE2 PHE A 125 -0.764 -15.467 -15.231 1.00 8.12 C ATOM 2095 CZ PHE A 125 -1.435 -16.542 -15.783 1.00 8.27 C ATOM 0 H PHE A 125 3.895 -17.661 -11.373 1.00 5.46 H new ATOM 0 HA PHE A 125 1.991 -19.038 -13.126 1.00 6.16 H new ATOM 0 HB2 PHE A 125 0.654 -17.521 -11.640 1.00 6.69 H new ATOM 0 HB3 PHE A 125 1.631 -16.172 -12.185 1.00 6.69 H new ATOM 0 HD1 PHE A 125 -0.241 -18.993 -13.808 1.00 7.20 H new ATOM 0 HD2 PHE A 125 0.616 -14.821 -13.741 1.00 7.48 H new ATOM 0 HE1 PHE A 125 -1.766 -18.652 -15.699 1.00 7.81 H new ATOM 0 HE2 PHE A 125 -0.911 -14.475 -15.631 1.00 8.12 H new ATOM 0 HZ PHE A 125 -2.107 -16.391 -16.615 1.00 8.27 H new ATOM 2105 N GLY A 126 2.836 -17.386 -15.024 1.00 7.47 N ATOM 2106 CA GLY A 126 3.637 -16.862 -16.108 1.00 8.43 C ATOM 2107 C GLY A 126 2.775 -16.262 -17.193 1.00 9.49 C ATOM 2108 O GLY A 126 1.636 -16.737 -17.373 1.00 9.97 O ATOM 2109 OXT GLY A 126 3.228 -15.309 -17.861 1.00 10.03 O ATOM 0 H GLY A 126 1.877 -17.622 -15.279 1.00 7.47 H new ATOM 0 HA2 GLY A 126 4.320 -16.104 -15.724 1.00 8.43 H new ATOM 0 HA3 GLY A 126 4.249 -17.660 -16.528 1.00 8.43 H new TER 2113 GLY A 126