USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 837 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 83 ASN : amide:sc= -0.0781 K(o=-0.79,f=-1.8!) USER MOD Set 1.2: A 84 HIS : no HD1:sc= -0.713 K(o=-0.79,f=-3.5!) USER MOD Set 2.1: A 77 GLN : amide:sc= 0.342 K(o=-0.3,f=-4.2!) USER MOD Set 2.2: A 79 SER OG : rot 180:sc= -0.642 USER MOD Set 3.1: A 32 GLN : amide:sc= 0.162 X(o=0.62,f=0.4) USER MOD Set 3.2: A 74 TYR OH : rot 41:sc= 0.463 USER MOD Set 4.1: A 68 GLN :FLIP amide:sc= -0.107 F(o=-2.7!,f=-0.11) USER MOD Set 4.2: A 71 GLN : amide:sc= 0 X(o=-0.11,f=-0.3) USER MOD Set 5.1: A 47 THR OG1 : rot -25:sc= 0.658 USER MOD Set 5.2: A 50 THR OG1 : rot -150:sc= 1.4 USER MOD Set 6.1: A 18 ASN : amide:sc= 0.54 K(o=0.38,f=-0.16) USER MOD Set 6.2: A 55 GLN : amide:sc= -0.162 X(o=0.38,f=0.22) USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.0656 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 THR OG1 : rot -128:sc= 0.193 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ -123:sc= -0.0237 (180deg=-0.3) USER MOD Single : A 38 GLN : amide:sc= -0.0309 X(o=-0.031,f=-0.26) USER MOD Single : A 39 GLN : amide:sc=-0.00712 X(o=-0.0071,f=-0.15) USER MOD Single : A 42 SER OG : rot -17:sc= 0.205 USER MOD Single : A 43 THR OG1 : rot -130:sc= -1.52 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= -0.227 X(o=-0.23,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 69:sc= 1.02 USER MOD Single : A 66 THR OG1 : rot -78:sc= 1.12 USER MOD Single : A 70 HIS : no HD1:sc= -0.945 K(o=-0.95,f=-4.5!) USER MOD Single : A 93 THR OG1 : rot -35:sc= 0.144 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.422 USER MOD Single : A 103 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 HIS : no HD1:sc=-0.00462 X(o=-0.0046,f=0) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 24.258 3.619 -35.567 1.00 51.43 N ATOM 2 CA GLY A 1 23.151 4.539 -35.190 1.00 34.54 C ATOM 3 C GLY A 1 22.160 3.906 -34.223 1.00 45.41 C ATOM 4 O GLY A 1 22.270 2.713 -33.904 1.00 55.13 O ATOM 0 H1 GLY A 1 25.171 4.066 -35.346 1.00 51.43 H new ATOM 0 H2 GLY A 1 24.169 2.731 -35.033 1.00 51.43 H new ATOM 0 H3 GLY A 1 24.209 3.416 -36.586 1.00 51.43 H new ATOM 0 HA2 GLY A 1 23.570 5.437 -34.737 1.00 34.54 H new ATOM 0 HA3 GLY A 1 22.623 4.853 -36.090 1.00 34.54 H new ATOM 10 N THR A 2 21.192 4.713 -33.740 1.00 51.10 N ATOM 11 CA THR A 2 20.157 4.267 -32.797 1.00 34.24 C ATOM 12 C THR A 2 19.016 3.560 -33.555 1.00 63.44 C ATOM 13 O THR A 2 18.425 4.135 -34.481 1.00 13.35 O ATOM 14 CB THR A 2 19.600 5.486 -31.984 1.00 3.11 C ATOM 15 OG1 THR A 2 20.700 6.172 -31.350 1.00 3.10 O ATOM 16 CG2 THR A 2 18.569 5.059 -30.909 1.00 74.43 C ATOM 0 H THR A 2 21.110 5.697 -33.998 1.00 51.10 H new ATOM 0 HA THR A 2 20.602 3.559 -32.098 1.00 34.24 H new ATOM 0 HB THR A 2 19.085 6.144 -32.684 1.00 3.11 H new ATOM 0 HG1 THR A 2 20.359 6.937 -30.841 1.00 3.10 H new ATOM 0 HG21 THR A 2 18.214 5.940 -30.375 1.00 74.43 H new ATOM 0 HG22 THR A 2 17.726 4.563 -31.390 1.00 74.43 H new ATOM 0 HG23 THR A 2 19.040 4.373 -30.205 1.00 74.43 H new ATOM 24 N ILE A 3 18.737 2.300 -33.181 1.00 2.02 N ATOM 25 CA ILE A 3 17.588 1.543 -33.718 1.00 74.22 C ATOM 26 C ILE A 3 16.289 1.980 -33.019 1.00 1.21 C ATOM 27 O ILE A 3 16.326 2.563 -31.922 1.00 61.11 O ATOM 28 CB ILE A 3 17.782 -0.014 -33.555 1.00 25.44 C ATOM 29 CG1 ILE A 3 17.915 -0.408 -32.049 1.00 3.31 C ATOM 30 CG2 ILE A 3 18.995 -0.503 -34.383 1.00 11.33 C ATOM 31 CD1 ILE A 3 18.037 -1.900 -31.783 1.00 11.35 C ATOM 0 H ILE A 3 19.295 1.779 -32.504 1.00 2.02 H new ATOM 0 HA ILE A 3 17.523 1.763 -34.784 1.00 74.22 H new ATOM 0 HB ILE A 3 16.894 -0.513 -33.943 1.00 25.44 H new ATOM 0 HG12 ILE A 3 18.790 0.092 -31.634 1.00 3.31 H new ATOM 0 HG13 ILE A 3 17.046 -0.028 -31.512 1.00 3.31 H new ATOM 0 HG21 ILE A 3 19.111 -1.579 -34.257 1.00 11.33 H new ATOM 0 HG22 ILE A 3 18.831 -0.277 -35.437 1.00 11.33 H new ATOM 0 HG23 ILE A 3 19.898 0.002 -34.039 1.00 11.33 H new ATOM 0 HD11 ILE A 3 18.124 -2.072 -30.710 1.00 11.35 H new ATOM 0 HD12 ILE A 3 17.152 -2.411 -32.162 1.00 11.35 H new ATOM 0 HD13 ILE A 3 18.923 -2.288 -32.286 1.00 11.35 H new ATOM 43 N ASP A 4 15.143 1.710 -33.665 1.00 2.21 N ATOM 44 CA ASP A 4 13.825 2.000 -33.086 1.00 74.04 C ATOM 45 C ASP A 4 13.446 0.872 -32.110 1.00 52.54 C ATOM 46 O ASP A 4 12.693 -0.041 -32.447 1.00 63.51 O ATOM 47 CB ASP A 4 12.756 2.198 -34.200 1.00 30.24 C ATOM 48 CG ASP A 4 13.066 3.402 -35.113 1.00 41.53 C ATOM 49 OD1 ASP A 4 12.905 4.550 -34.660 1.00 2.14 O ATOM 50 OD2 ASP A 4 13.478 3.210 -36.279 1.00 2.12 O1- ATOM 0 H ASP A 4 15.105 1.289 -34.593 1.00 2.21 H new ATOM 0 HA ASP A 4 13.866 2.937 -32.531 1.00 74.04 H new ATOM 0 HB2 ASP A 4 12.696 1.294 -34.806 1.00 30.24 H new ATOM 0 HB3 ASP A 4 11.778 2.339 -33.739 1.00 30.24 H new ATOM 55 N TYR A 5 14.041 0.940 -30.906 1.00 4.55 N ATOM 56 CA TYR A 5 13.811 -0.026 -29.815 1.00 5.31 C ATOM 57 C TYR A 5 12.554 0.362 -29.022 1.00 15.04 C ATOM 58 O TYR A 5 11.927 -0.488 -28.394 1.00 45.12 O ATOM 59 CB TYR A 5 15.053 -0.104 -28.880 1.00 62.24 C ATOM 60 CG TYR A 5 15.332 1.176 -28.066 1.00 23.34 C ATOM 61 CD1 TYR A 5 15.940 2.290 -28.652 1.00 71.43 C ATOM 62 CD2 TYR A 5 14.973 1.274 -26.716 1.00 11.12 C ATOM 63 CE1 TYR A 5 16.173 3.446 -27.929 1.00 53.32 C ATOM 64 CE2 TYR A 5 15.208 2.428 -25.993 1.00 41.10 C ATOM 65 CZ TYR A 5 15.806 3.509 -26.601 1.00 65.24 C ATOM 66 OH TYR A 5 16.039 4.657 -25.873 1.00 31.13 O ATOM 0 H TYR A 5 14.703 1.676 -30.659 1.00 4.55 H new ATOM 0 HA TYR A 5 13.655 -1.013 -30.250 1.00 5.31 H new ATOM 0 HB2 TYR A 5 14.918 -0.935 -28.188 1.00 62.24 H new ATOM 0 HB3 TYR A 5 15.931 -0.332 -29.484 1.00 62.24 H new ATOM 0 HD1 TYR A 5 16.234 2.247 -29.690 1.00 71.43 H new ATOM 0 HD2 TYR A 5 14.503 0.431 -26.230 1.00 11.12 H new ATOM 0 HE1 TYR A 5 16.641 4.296 -28.403 1.00 53.32 H new ATOM 0 HE2 TYR A 5 14.923 2.482 -24.953 1.00 41.10 H new ATOM 0 HH TYR A 5 15.719 4.533 -24.955 1.00 31.13 H new ATOM 76 N GLN A 6 12.218 1.671 -29.044 1.00 65.12 N ATOM 77 CA GLN A 6 10.988 2.208 -28.430 1.00 24.12 C ATOM 78 C GLN A 6 9.751 1.831 -29.281 1.00 21.13 C ATOM 79 O GLN A 6 8.613 1.910 -28.816 1.00 63.22 O ATOM 80 CB GLN A 6 11.112 3.748 -28.262 1.00 20.04 C ATOM 81 CG GLN A 6 9.947 4.410 -27.485 1.00 50.32 C ATOM 82 CD GLN A 6 10.005 5.942 -27.468 1.00 61.04 C ATOM 83 OE1 GLN A 6 11.082 6.545 -27.475 1.00 22.01 O ATOM 84 NE2 GLN A 6 8.846 6.588 -27.455 1.00 73.44 N ATOM 0 H GLN A 6 12.795 2.384 -29.490 1.00 65.12 H new ATOM 0 HA GLN A 6 10.857 1.766 -27.442 1.00 24.12 H new ATOM 0 HB2 GLN A 6 12.047 3.970 -27.747 1.00 20.04 H new ATOM 0 HB3 GLN A 6 11.177 4.204 -29.250 1.00 20.04 H new ATOM 0 HG2 GLN A 6 9.002 4.097 -27.929 1.00 50.32 H new ATOM 0 HG3 GLN A 6 9.953 4.044 -26.458 1.00 50.32 H new ATOM 0 HE21 GLN A 6 7.970 6.065 -27.449 1.00 73.44 H new ATOM 0 HE22 GLN A 6 8.831 7.608 -27.451 1.00 73.44 H new ATOM 93 N ALA A 7 9.988 1.417 -30.539 1.00 21.30 N ATOM 94 CA ALA A 7 8.947 0.788 -31.371 1.00 62.55 C ATOM 95 C ALA A 7 8.523 -0.554 -30.743 1.00 53.33 C ATOM 96 O ALA A 7 7.339 -0.897 -30.720 1.00 63.03 O ATOM 97 CB ALA A 7 9.453 0.595 -32.804 1.00 33.14 C ATOM 0 H ALA A 7 10.893 1.507 -31.002 1.00 21.30 H new ATOM 0 HA ALA A 7 8.075 1.441 -31.413 1.00 62.55 H new ATOM 0 HB1 ALA A 7 8.673 0.129 -33.406 1.00 33.14 H new ATOM 0 HB2 ALA A 7 9.712 1.563 -33.232 1.00 33.14 H new ATOM 0 HB3 ALA A 7 10.335 -0.045 -32.795 1.00 33.14 H new ATOM 103 N LEU A 8 9.518 -1.287 -30.203 1.00 34.02 N ATOM 104 CA LEU A 8 9.287 -2.541 -29.459 1.00 65.30 C ATOM 105 C LEU A 8 8.740 -2.228 -28.053 1.00 23.11 C ATOM 106 O LEU A 8 7.861 -2.936 -27.550 1.00 53.31 O ATOM 107 CB LEU A 8 10.591 -3.399 -29.351 1.00 72.24 C ATOM 108 CG LEU A 8 11.175 -3.986 -30.683 1.00 11.23 C ATOM 109 CD1 LEU A 8 10.091 -4.705 -31.506 1.00 22.14 C ATOM 110 CD2 LEU A 8 11.913 -2.926 -31.526 1.00 22.12 C ATOM 0 H LEU A 8 10.502 -1.027 -30.270 1.00 34.02 H new ATOM 0 HA LEU A 8 8.552 -3.125 -30.012 1.00 65.30 H new ATOM 0 HB2 LEU A 8 11.362 -2.785 -28.886 1.00 72.24 H new ATOM 0 HB3 LEU A 8 10.394 -4.230 -28.674 1.00 72.24 H new ATOM 0 HG LEU A 8 11.920 -4.727 -30.394 1.00 11.23 H new ATOM 0 HD11 LEU A 8 10.531 -5.099 -32.422 1.00 22.14 H new ATOM 0 HD12 LEU A 8 9.675 -5.525 -30.921 1.00 22.14 H new ATOM 0 HD13 LEU A 8 9.299 -4.000 -31.758 1.00 22.14 H new ATOM 0 HD21 LEU A 8 12.297 -3.387 -32.436 1.00 22.12 H new ATOM 0 HD22 LEU A 8 11.222 -2.125 -31.789 1.00 22.12 H new ATOM 0 HD23 LEU A 8 12.742 -2.516 -30.950 1.00 22.12 H new ATOM 122 N LYS A 9 9.272 -1.159 -27.431 1.00 40.52 N ATOM 123 CA LYS A 9 8.858 -0.717 -26.085 1.00 2.42 C ATOM 124 C LYS A 9 7.774 0.365 -26.180 1.00 50.43 C ATOM 125 O LYS A 9 8.068 1.567 -26.144 1.00 54.13 O ATOM 126 CB LYS A 9 10.072 -0.204 -25.255 1.00 70.43 C ATOM 127 CG LYS A 9 11.123 -1.279 -24.918 1.00 43.34 C ATOM 128 CD LYS A 9 12.133 -0.800 -23.848 1.00 71.24 C ATOM 129 CE LYS A 9 13.082 -1.916 -23.399 1.00 32.32 C ATOM 130 NZ LYS A 9 13.936 -1.489 -22.260 1.00 54.30 N1+ ATOM 0 H LYS A 9 10.000 -0.578 -27.846 1.00 40.52 H new ATOM 0 HA LYS A 9 8.442 -1.581 -25.567 1.00 2.42 H new ATOM 0 HB2 LYS A 9 10.559 0.600 -25.808 1.00 70.43 H new ATOM 0 HB3 LYS A 9 9.702 0.227 -24.325 1.00 70.43 H new ATOM 0 HG2 LYS A 9 10.619 -2.177 -24.562 1.00 43.34 H new ATOM 0 HG3 LYS A 9 11.661 -1.554 -25.825 1.00 43.34 H new ATOM 0 HD2 LYS A 9 12.716 0.030 -24.248 1.00 71.24 H new ATOM 0 HD3 LYS A 9 11.589 -0.420 -22.983 1.00 71.24 H new ATOM 0 HE2 LYS A 9 12.502 -2.792 -23.110 1.00 32.32 H new ATOM 0 HE3 LYS A 9 13.714 -2.214 -24.235 1.00 32.32 H new ATOM 0 HZ1 LYS A 9 14.564 -2.271 -21.985 1.00 54.30 H new ATOM 0 HZ2 LYS A 9 14.508 -0.668 -22.544 1.00 54.30 H new ATOM 0 HZ3 LYS A 9 13.334 -1.229 -21.453 1.00 54.30 H new ATOM 144 N ARG A 10 6.517 -0.067 -26.325 1.00 13.13 N ATOM 145 CA ARG A 10 5.356 0.834 -26.327 1.00 21.41 C ATOM 146 C ARG A 10 4.635 0.707 -24.967 1.00 14.23 C ATOM 147 O ARG A 10 3.951 -0.277 -24.693 1.00 22.01 O ATOM 148 CB ARG A 10 4.396 0.578 -27.546 1.00 1.43 C ATOM 149 CG ARG A 10 3.784 -0.843 -27.703 1.00 22.01 C ATOM 150 CD ARG A 10 4.770 -1.896 -28.238 1.00 50.22 C ATOM 151 NE ARG A 10 4.158 -3.237 -28.346 1.00 33.02 N ATOM 152 CZ ARG A 10 4.765 -4.327 -28.859 1.00 4.32 C ATOM 153 NH1 ARG A 10 6.020 -4.259 -29.319 1.00 43.13 N1+ ATOM 154 NH2 ARG A 10 4.114 -5.486 -28.901 1.00 41.04 N ATOM 0 H ARG A 10 6.274 -1.050 -26.444 1.00 13.13 H new ATOM 0 HA ARG A 10 5.700 1.861 -26.455 1.00 21.41 H new ATOM 0 HB2 ARG A 10 3.574 1.291 -27.480 1.00 1.43 H new ATOM 0 HB3 ARG A 10 4.945 0.808 -28.459 1.00 1.43 H new ATOM 0 HG2 ARG A 10 3.406 -1.173 -26.735 1.00 22.01 H new ATOM 0 HG3 ARG A 10 2.929 -0.786 -28.377 1.00 22.01 H new ATOM 0 HD2 ARG A 10 5.133 -1.585 -29.218 1.00 50.22 H new ATOM 0 HD3 ARG A 10 5.636 -1.947 -27.578 1.00 50.22 H new ATOM 0 HE ARG A 10 3.203 -3.347 -28.006 1.00 33.02 H new ATOM 0 HH11 ARG A 10 6.529 -3.376 -29.284 1.00 43.13 H new ATOM 0 HH12 ARG A 10 6.468 -5.091 -29.704 1.00 43.13 H new ATOM 0 HH21 ARG A 10 3.160 -5.548 -28.546 1.00 41.04 H new ATOM 0 HH22 ARG A 10 4.569 -6.313 -29.288 1.00 41.04 H new ATOM 168 N ARG A 11 4.871 1.698 -24.093 1.00 54.22 N ATOM 169 CA ARG A 11 4.288 1.760 -22.738 1.00 55.52 C ATOM 170 C ARG A 11 2.787 2.096 -22.826 1.00 15.23 C ATOM 171 O ARG A 11 2.349 2.737 -23.786 1.00 75.23 O ATOM 172 CB ARG A 11 5.033 2.840 -21.905 1.00 3.44 C ATOM 173 CG ARG A 11 4.646 2.909 -20.396 1.00 32.42 C ATOM 174 CD ARG A 11 5.693 2.279 -19.462 1.00 23.42 C ATOM 175 NE ARG A 11 6.038 0.888 -19.798 1.00 71.12 N ATOM 176 CZ ARG A 11 6.371 -0.067 -18.907 1.00 31.10 C ATOM 177 NH1 ARG A 11 6.411 0.187 -17.594 1.00 13.54 N1+ ATOM 178 NH2 ARG A 11 6.709 -1.271 -19.342 1.00 64.12 N ATOM 0 H ARG A 11 5.478 2.489 -24.307 1.00 54.22 H new ATOM 0 HA ARG A 11 4.399 0.792 -22.250 1.00 55.52 H new ATOM 0 HB2 ARG A 11 6.105 2.656 -21.979 1.00 3.44 H new ATOM 0 HB3 ARG A 11 4.845 3.815 -22.355 1.00 3.44 H new ATOM 0 HG2 ARG A 11 4.501 3.952 -20.114 1.00 32.42 H new ATOM 0 HG3 ARG A 11 3.691 2.404 -20.251 1.00 32.42 H new ATOM 0 HD2 ARG A 11 6.599 2.884 -19.489 1.00 23.42 H new ATOM 0 HD3 ARG A 11 5.318 2.312 -18.439 1.00 23.42 H new ATOM 0 HE ARG A 11 6.024 0.626 -20.784 1.00 71.12 H new ATOM 0 HH11 ARG A 11 6.187 1.120 -17.248 1.00 13.54 H new ATOM 0 HH12 ARG A 11 6.666 -0.552 -16.939 1.00 13.54 H new ATOM 0 HH21 ARG A 11 6.716 -1.468 -20.343 1.00 64.12 H new ATOM 0 HH22 ARG A 11 6.963 -2.001 -18.676 1.00 64.12 H new ATOM 192 N HIS A 12 2.010 1.656 -21.823 1.00 0.11 N ATOM 193 CA HIS A 12 0.574 1.974 -21.736 1.00 45.45 C ATOM 194 C HIS A 12 0.096 1.928 -20.276 1.00 71.10 C ATOM 195 O HIS A 12 0.619 1.152 -19.460 1.00 50.40 O ATOM 196 CB HIS A 12 -0.272 1.009 -22.623 1.00 53.54 C ATOM 197 CG HIS A 12 -0.307 -0.431 -22.160 1.00 63.30 C ATOM 198 ND1 HIS A 12 -1.478 -1.104 -21.871 1.00 55.01 N ATOM 199 CD2 HIS A 12 0.690 -1.332 -21.960 1.00 40.21 C ATOM 200 CE1 HIS A 12 -1.200 -2.342 -21.514 1.00 70.31 C ATOM 201 NE2 HIS A 12 0.107 -2.505 -21.558 1.00 70.02 N ATOM 0 H HIS A 12 2.354 1.076 -21.057 1.00 0.11 H new ATOM 0 HA HIS A 12 0.432 2.987 -22.114 1.00 45.45 H new ATOM 0 HB2 HIS A 12 -1.294 1.384 -22.666 1.00 53.54 H new ATOM 0 HB3 HIS A 12 0.121 1.037 -23.639 1.00 53.54 H new ATOM 0 HD2 HIS A 12 1.747 -1.156 -22.093 1.00 40.21 H new ATOM 0 HE1 HIS A 12 -1.921 -3.095 -21.233 1.00 70.31 H new ATOM 0 HE2 HIS A 12 0.604 -3.366 -21.330 1.00 70.02 H new ATOM 210 N THR A 13 -0.871 2.795 -19.958 1.00 14.24 N ATOM 211 CA THR A 13 -1.628 2.758 -18.698 1.00 43.30 C ATOM 212 C THR A 13 -3.098 2.401 -19.058 1.00 13.51 C ATOM 213 O THR A 13 -3.571 2.809 -20.134 1.00 53.01 O ATOM 214 CB THR A 13 -1.521 4.131 -17.929 1.00 32.21 C ATOM 215 OG1 THR A 13 -2.087 4.015 -16.616 1.00 41.24 O ATOM 216 CG2 THR A 13 -2.196 5.300 -18.677 1.00 42.54 C ATOM 0 H THR A 13 -1.156 3.554 -20.577 1.00 14.24 H new ATOM 0 HA THR A 13 -1.219 2.008 -18.021 1.00 43.30 H new ATOM 0 HB THR A 13 -0.457 4.360 -17.862 1.00 32.21 H new ATOM 0 HG1 THR A 13 -2.741 4.732 -16.477 1.00 41.24 H new ATOM 0 HG21 THR A 13 -2.087 6.215 -18.095 1.00 42.54 H new ATOM 0 HG22 THR A 13 -1.723 5.430 -19.651 1.00 42.54 H new ATOM 0 HG23 THR A 13 -3.255 5.081 -18.814 1.00 42.54 H new ATOM 224 N PRO A 14 -3.826 1.580 -18.230 1.00 62.13 N ATOM 225 CA PRO A 14 -5.258 1.242 -18.481 1.00 33.22 C ATOM 226 C PRO A 14 -6.150 2.484 -18.693 1.00 23.03 C ATOM 227 O PRO A 14 -5.897 3.544 -18.104 1.00 63.22 O ATOM 228 CB PRO A 14 -5.661 0.460 -17.211 1.00 42.54 C ATOM 229 CG PRO A 14 -4.380 -0.157 -16.745 1.00 51.02 C ATOM 230 CD PRO A 14 -3.315 0.887 -17.011 1.00 35.44 C ATOM 0 HA PRO A 14 -5.388 0.675 -19.403 1.00 33.22 H new ATOM 0 HB2 PRO A 14 -6.085 1.119 -16.454 1.00 42.54 H new ATOM 0 HB3 PRO A 14 -6.413 -0.298 -17.431 1.00 42.54 H new ATOM 0 HG2 PRO A 14 -4.427 -0.410 -15.686 1.00 51.02 H new ATOM 0 HG3 PRO A 14 -4.169 -1.081 -17.284 1.00 51.02 H new ATOM 0 HD2 PRO A 14 -3.204 1.574 -16.172 1.00 35.44 H new ATOM 0 HD3 PRO A 14 -2.339 0.434 -17.183 1.00 35.44 H new ATOM 238 N GLU A 15 -7.184 2.338 -19.544 1.00 64.33 N ATOM 239 CA GLU A 15 -8.081 3.442 -19.933 1.00 63.20 C ATOM 240 C GLU A 15 -8.831 4.004 -18.704 1.00 15.13 C ATOM 241 O GLU A 15 -8.786 5.209 -18.432 1.00 10.33 O ATOM 242 CB GLU A 15 -9.087 2.960 -21.022 1.00 2.42 C ATOM 243 CG GLU A 15 -8.429 2.488 -22.340 1.00 65.32 C ATOM 244 CD GLU A 15 -9.446 2.035 -23.402 1.00 11.30 C ATOM 245 OE1 GLU A 15 -9.798 0.831 -23.433 1.00 3.41 O ATOM 246 OE2 GLU A 15 -9.909 2.882 -24.205 1.00 0.14 O1- ATOM 0 H GLU A 15 -7.421 1.448 -19.982 1.00 64.33 H new ATOM 0 HA GLU A 15 -7.476 4.247 -20.351 1.00 63.20 H new ATOM 0 HB2 GLU A 15 -9.680 2.142 -20.614 1.00 2.42 H new ATOM 0 HB3 GLU A 15 -9.777 3.773 -21.246 1.00 2.42 H new ATOM 0 HG2 GLU A 15 -7.826 3.300 -22.748 1.00 65.32 H new ATOM 0 HG3 GLU A 15 -7.749 1.664 -22.123 1.00 65.32 H new ATOM 253 N ALA A 16 -9.494 3.104 -17.960 1.00 22.30 N ATOM 254 CA ALA A 16 -10.302 3.463 -16.781 1.00 42.55 C ATOM 255 C ALA A 16 -9.450 3.495 -15.498 1.00 52.31 C ATOM 256 O ALA A 16 -9.642 4.380 -14.662 1.00 13.01 O ATOM 257 CB ALA A 16 -11.475 2.486 -16.622 1.00 51.43 C ATOM 0 H ALA A 16 -9.485 2.104 -18.159 1.00 22.30 H new ATOM 0 HA ALA A 16 -10.696 4.467 -16.940 1.00 42.55 H new ATOM 0 HB1 ALA A 16 -12.063 2.763 -15.747 1.00 51.43 H new ATOM 0 HB2 ALA A 16 -12.105 2.526 -17.511 1.00 51.43 H new ATOM 0 HB3 ALA A 16 -11.091 1.474 -16.495 1.00 51.43 H new ATOM 263 N GLU A 17 -8.508 2.520 -15.369 1.00 41.15 N ATOM 264 CA GLU A 17 -7.673 2.309 -14.140 1.00 5.51 C ATOM 265 C GLU A 17 -8.542 2.039 -12.882 1.00 0.03 C ATOM 266 O GLU A 17 -9.682 1.560 -13.007 1.00 14.14 O ATOM 267 CB GLU A 17 -6.688 3.503 -13.898 1.00 23.03 C ATOM 268 CG GLU A 17 -5.454 3.533 -14.812 1.00 12.31 C ATOM 269 CD GLU A 17 -4.464 4.654 -14.447 1.00 71.32 C ATOM 270 OE1 GLU A 17 -4.287 5.596 -15.254 1.00 74.35 O ATOM 271 OE2 GLU A 17 -3.873 4.612 -13.344 1.00 75.54 O1- ATOM 0 H GLU A 17 -8.302 1.854 -16.113 1.00 41.15 H new ATOM 0 HA GLU A 17 -7.075 1.415 -14.319 1.00 5.51 H new ATOM 0 HB2 GLU A 17 -7.237 4.436 -14.025 1.00 23.03 H new ATOM 0 HB3 GLU A 17 -6.351 3.470 -12.862 1.00 23.03 H new ATOM 0 HG2 GLU A 17 -4.943 2.572 -14.756 1.00 12.31 H new ATOM 0 HG3 GLU A 17 -5.777 3.662 -15.845 1.00 12.31 H new ATOM 278 N ASN A 18 -7.959 2.293 -11.669 1.00 41.43 N ATOM 279 CA ASN A 18 -8.687 2.260 -10.372 1.00 21.42 C ATOM 280 C ASN A 18 -9.095 0.803 -10.000 1.00 21.22 C ATOM 281 O ASN A 18 -8.753 -0.129 -10.738 1.00 12.53 O ATOM 282 CB ASN A 18 -9.919 3.242 -10.434 1.00 14.31 C ATOM 283 CG ASN A 18 -9.517 4.703 -10.696 1.00 44.14 C ATOM 284 OD1 ASN A 18 -9.164 5.442 -9.774 1.00 62.35 O ATOM 285 ND2 ASN A 18 -9.588 5.139 -11.945 1.00 75.23 N ATOM 0 H ASN A 18 -6.971 2.526 -11.570 1.00 41.43 H new ATOM 0 HA ASN A 18 -8.029 2.604 -9.574 1.00 21.42 H new ATOM 0 HB2 ASN A 18 -10.599 2.913 -11.220 1.00 14.31 H new ATOM 0 HB3 ASN A 18 -10.468 3.186 -9.494 1.00 14.31 H new ATOM 0 HD21 ASN A 18 -9.348 6.106 -12.162 1.00 75.23 H new ATOM 0 HD22 ASN A 18 -9.883 4.507 -12.690 1.00 75.23 H new ATOM 292 N PRO A 19 -9.770 0.537 -8.828 1.00 2.55 N ATOM 293 CA PRO A 19 -10.433 -0.780 -8.579 1.00 60.43 C ATOM 294 C PRO A 19 -11.778 -0.936 -9.329 1.00 3.11 C ATOM 295 O PRO A 19 -12.768 -1.417 -8.748 1.00 4.23 O ATOM 296 CB PRO A 19 -10.629 -0.769 -7.044 1.00 50.32 C ATOM 297 CG PRO A 19 -10.807 0.670 -6.701 1.00 52.41 C ATOM 298 CD PRO A 19 -9.857 1.417 -7.616 1.00 3.54 C ATOM 0 HA PRO A 19 -9.843 -1.621 -8.943 1.00 60.43 H new ATOM 0 HB2 PRO A 19 -11.498 -1.357 -6.751 1.00 50.32 H new ATOM 0 HB3 PRO A 19 -9.767 -1.196 -6.531 1.00 50.32 H new ATOM 0 HG2 PRO A 19 -11.838 0.988 -6.859 1.00 52.41 H new ATOM 0 HG3 PRO A 19 -10.573 0.857 -5.653 1.00 52.41 H new ATOM 0 HD2 PRO A 19 -10.237 2.408 -7.866 1.00 3.54 H new ATOM 0 HD3 PRO A 19 -8.881 1.558 -7.152 1.00 3.54 H new ATOM 306 N ALA A 20 -11.791 -0.581 -10.627 1.00 23.44 N ATOM 307 CA ALA A 20 -13.000 -0.636 -11.453 1.00 32.24 C ATOM 308 C ALA A 20 -13.420 -2.093 -11.700 1.00 24.54 C ATOM 309 O ALA A 20 -14.504 -2.516 -11.278 1.00 31.11 O ATOM 310 CB ALA A 20 -12.783 0.115 -12.783 1.00 30.20 C ATOM 0 H ALA A 20 -10.965 -0.250 -11.126 1.00 23.44 H new ATOM 0 HA ALA A 20 -13.809 -0.140 -10.916 1.00 32.24 H new ATOM 0 HB1 ALA A 20 -13.692 0.063 -13.383 1.00 30.20 H new ATOM 0 HB2 ALA A 20 -12.543 1.158 -12.577 1.00 30.20 H new ATOM 0 HB3 ALA A 20 -11.960 -0.345 -13.330 1.00 30.20 H new ATOM 316 N GLU A 21 -12.528 -2.860 -12.347 1.00 71.04 N ATOM 317 CA GLU A 21 -12.797 -4.245 -12.746 1.00 42.43 C ATOM 318 C GLU A 21 -12.532 -5.206 -11.560 1.00 33.21 C ATOM 319 O GLU A 21 -13.453 -5.478 -10.776 1.00 34.25 O ATOM 320 CB GLU A 21 -11.951 -4.590 -14.014 1.00 70.10 C ATOM 321 CG GLU A 21 -12.184 -3.624 -15.206 1.00 53.42 C ATOM 322 CD GLU A 21 -11.375 -3.987 -16.464 1.00 53.03 C ATOM 323 OE1 GLU A 21 -11.960 -4.499 -17.448 1.00 0.41 O ATOM 324 OE2 GLU A 21 -10.152 -3.776 -16.464 1.00 65.45 O1- ATOM 0 H GLU A 21 -11.598 -2.533 -12.608 1.00 71.04 H new ATOM 0 HA GLU A 21 -13.847 -4.366 -13.011 1.00 42.43 H new ATOM 0 HB2 GLU A 21 -10.894 -4.576 -13.749 1.00 70.10 H new ATOM 0 HB3 GLU A 21 -12.187 -5.606 -14.331 1.00 70.10 H new ATOM 0 HG2 GLU A 21 -13.245 -3.619 -15.456 1.00 53.42 H new ATOM 0 HG3 GLU A 21 -11.924 -2.611 -14.898 1.00 53.42 H new ATOM 331 N ALA A 22 -11.264 -5.653 -11.402 1.00 40.12 N ATOM 332 CA ALA A 22 -10.859 -6.630 -10.361 1.00 60.20 C ATOM 333 C ALA A 22 -9.338 -6.810 -10.405 1.00 71.35 C ATOM 334 O ALA A 22 -8.813 -7.855 -10.815 1.00 20.20 O ATOM 335 CB ALA A 22 -11.592 -7.974 -10.541 1.00 41.34 C ATOM 0 H ALA A 22 -10.491 -5.347 -11.993 1.00 40.12 H new ATOM 0 HA ALA A 22 -11.142 -6.247 -9.381 1.00 60.20 H new ATOM 0 HB1 ALA A 22 -11.274 -8.669 -9.764 1.00 41.34 H new ATOM 0 HB2 ALA A 22 -12.668 -7.814 -10.467 1.00 41.34 H new ATOM 0 HB3 ALA A 22 -11.353 -8.391 -11.520 1.00 41.34 H new ATOM 341 N ASP A 23 -8.636 -5.749 -10.017 1.00 72.01 N ATOM 342 CA ASP A 23 -7.173 -5.641 -10.157 1.00 31.21 C ATOM 343 C ASP A 23 -6.488 -5.670 -8.786 1.00 15.11 C ATOM 344 O ASP A 23 -5.330 -5.279 -8.681 1.00 51.35 O ATOM 345 CB ASP A 23 -6.832 -4.320 -10.915 1.00 43.22 C ATOM 346 CG ASP A 23 -7.349 -4.298 -12.363 1.00 41.14 C ATOM 347 OD1 ASP A 23 -6.530 -4.396 -13.305 1.00 20.40 O ATOM 348 OD2 ASP A 23 -8.582 -4.209 -12.564 1.00 62.31 O1- ATOM 0 H ASP A 23 -9.064 -4.927 -9.591 1.00 72.01 H new ATOM 0 HA ASP A 23 -6.803 -6.494 -10.726 1.00 31.21 H new ATOM 0 HB2 ASP A 23 -7.259 -3.477 -10.371 1.00 43.22 H new ATOM 0 HB3 ASP A 23 -5.751 -4.181 -10.921 1.00 43.22 H new ATOM 353 N LEU A 24 -7.197 -6.178 -7.750 1.00 70.13 N ATOM 354 CA LEU A 24 -6.766 -6.062 -6.335 1.00 15.42 C ATOM 355 C LEU A 24 -5.364 -6.686 -6.112 1.00 54.23 C ATOM 356 O LEU A 24 -5.061 -7.752 -6.667 1.00 53.50 O ATOM 357 CB LEU A 24 -7.822 -6.667 -5.356 1.00 23.13 C ATOM 358 CG LEU A 24 -9.120 -5.811 -5.139 1.00 54.24 C ATOM 359 CD1 LEU A 24 -9.997 -5.749 -6.406 1.00 23.24 C ATOM 360 CD2 LEU A 24 -9.917 -6.308 -3.912 1.00 25.41 C ATOM 0 H LEU A 24 -8.079 -6.677 -7.869 1.00 70.13 H new ATOM 0 HA LEU A 24 -6.689 -4.998 -6.111 1.00 15.42 H new ATOM 0 HB2 LEU A 24 -8.115 -7.649 -5.728 1.00 23.13 H new ATOM 0 HB3 LEU A 24 -7.346 -6.822 -4.388 1.00 23.13 H new ATOM 0 HG LEU A 24 -8.801 -4.789 -4.934 1.00 54.24 H new ATOM 0 HD11 LEU A 24 -10.883 -5.146 -6.206 1.00 23.24 H new ATOM 0 HD12 LEU A 24 -9.428 -5.300 -7.220 1.00 23.24 H new ATOM 0 HD13 LEU A 24 -10.300 -6.757 -6.688 1.00 23.24 H new ATOM 0 HD21 LEU A 24 -10.810 -5.696 -3.786 1.00 25.41 H new ATOM 0 HD22 LEU A 24 -10.207 -7.348 -4.063 1.00 25.41 H new ATOM 0 HD23 LEU A 24 -9.296 -6.231 -3.019 1.00 25.41 H new ATOM 372 N PRO A 25 -4.487 -5.998 -5.311 1.00 3.20 N ATOM 373 CA PRO A 25 -3.055 -6.356 -5.198 1.00 15.23 C ATOM 374 C PRO A 25 -2.861 -7.696 -4.456 1.00 10.44 C ATOM 375 O PRO A 25 -3.253 -7.850 -3.288 1.00 65.24 O ATOM 376 CB PRO A 25 -2.455 -5.152 -4.427 1.00 54.21 C ATOM 377 CG PRO A 25 -3.591 -4.620 -3.606 1.00 73.12 C ATOM 378 CD PRO A 25 -4.838 -4.844 -4.429 1.00 44.30 C ATOM 0 HA PRO A 25 -2.570 -6.517 -6.161 1.00 15.23 H new ATOM 0 HB2 PRO A 25 -1.622 -5.462 -3.796 1.00 54.21 H new ATOM 0 HB3 PRO A 25 -2.073 -4.395 -5.111 1.00 54.21 H new ATOM 0 HG2 PRO A 25 -3.657 -5.137 -2.649 1.00 73.12 H new ATOM 0 HG3 PRO A 25 -3.452 -3.561 -3.387 1.00 73.12 H new ATOM 0 HD2 PRO A 25 -5.697 -5.071 -3.798 1.00 44.30 H new ATOM 0 HD3 PRO A 25 -5.095 -3.960 -5.012 1.00 44.30 H new ATOM 386 N GLN A 26 -2.248 -8.660 -5.159 1.00 23.25 N ATOM 387 CA GLN A 26 -2.104 -10.049 -4.697 1.00 65.11 C ATOM 388 C GLN A 26 -0.622 -10.447 -4.768 1.00 1.14 C ATOM 389 O GLN A 26 -0.070 -10.647 -5.856 1.00 24.32 O ATOM 390 CB GLN A 26 -3.003 -10.995 -5.561 1.00 40.32 C ATOM 391 CG GLN A 26 -4.518 -10.728 -5.412 1.00 4.01 C ATOM 392 CD GLN A 26 -5.405 -11.553 -6.348 1.00 1.43 C ATOM 393 OE1 GLN A 26 -5.831 -12.666 -6.018 1.00 43.54 O ATOM 394 NE2 GLN A 26 -5.692 -11.010 -7.527 1.00 74.32 N ATOM 0 H GLN A 26 -1.833 -8.495 -6.076 1.00 23.25 H new ATOM 0 HA GLN A 26 -2.436 -10.141 -3.663 1.00 65.11 H new ATOM 0 HB2 GLN A 26 -2.726 -10.885 -6.610 1.00 40.32 H new ATOM 0 HB3 GLN A 26 -2.797 -12.029 -5.284 1.00 40.32 H new ATOM 0 HG2 GLN A 26 -4.810 -10.932 -4.382 1.00 4.01 H new ATOM 0 HG3 GLN A 26 -4.707 -9.670 -5.593 1.00 4.01 H new ATOM 0 HE21 GLN A 26 -5.324 -10.090 -7.768 1.00 74.32 H new ATOM 0 HE22 GLN A 26 -6.280 -11.514 -8.191 1.00 74.32 H new ATOM 403 N GLY A 27 0.010 -10.511 -3.590 1.00 31.41 N ATOM 404 CA GLY A 27 1.440 -10.796 -3.453 1.00 21.34 C ATOM 405 C GLY A 27 2.002 -10.134 -2.204 1.00 51.41 C ATOM 406 O GLY A 27 1.320 -9.298 -1.596 1.00 3.13 O ATOM 0 H GLY A 27 -0.463 -10.365 -2.698 1.00 31.41 H new ATOM 0 HA2 GLY A 27 1.598 -11.873 -3.402 1.00 21.34 H new ATOM 0 HA3 GLY A 27 1.974 -10.437 -4.333 1.00 21.34 H new ATOM 410 N ASP A 28 3.241 -10.489 -1.820 1.00 13.12 N ATOM 411 CA ASP A 28 3.876 -9.950 -0.597 1.00 41.31 C ATOM 412 C ASP A 28 4.130 -8.447 -0.746 1.00 24.25 C ATOM 413 O ASP A 28 3.679 -7.647 0.075 1.00 13.01 O ATOM 414 CB ASP A 28 5.206 -10.683 -0.287 1.00 22.33 C ATOM 415 CG ASP A 28 5.018 -12.186 -0.032 1.00 52.42 C ATOM 416 OD1 ASP A 28 4.579 -12.555 1.073 1.00 1.20 O ATOM 417 OD2 ASP A 28 5.309 -13.005 -0.930 1.00 45.23 O1- ATOM 0 H ASP A 28 3.825 -11.147 -2.337 1.00 13.12 H new ATOM 0 HA ASP A 28 3.192 -10.116 0.235 1.00 41.31 H new ATOM 0 HB2 ASP A 28 5.894 -10.545 -1.121 1.00 22.33 H new ATOM 0 HB3 ASP A 28 5.670 -10.227 0.587 1.00 22.33 H new ATOM 422 N ILE A 29 4.828 -8.088 -1.832 1.00 45.12 N ATOM 423 CA ILE A 29 5.227 -6.704 -2.114 1.00 72.23 C ATOM 424 C ILE A 29 3.998 -5.872 -2.549 1.00 33.44 C ATOM 425 O ILE A 29 3.870 -4.714 -2.166 1.00 40.41 O ATOM 426 CB ILE A 29 6.353 -6.647 -3.220 1.00 73.14 C ATOM 427 CG1 ILE A 29 7.510 -7.663 -2.931 1.00 61.55 C ATOM 428 CG2 ILE A 29 6.923 -5.221 -3.376 1.00 44.52 C ATOM 429 CD1 ILE A 29 8.243 -7.480 -1.609 1.00 22.02 C ATOM 0 H ILE A 29 5.133 -8.753 -2.542 1.00 45.12 H new ATOM 0 HA ILE A 29 5.637 -6.276 -1.199 1.00 72.23 H new ATOM 0 HB ILE A 29 5.880 -6.934 -4.159 1.00 73.14 H new ATOM 0 HG12 ILE A 29 7.097 -8.671 -2.958 1.00 61.55 H new ATOM 0 HG13 ILE A 29 8.238 -7.595 -3.740 1.00 61.55 H new ATOM 0 HG21 ILE A 29 7.695 -5.220 -4.145 1.00 44.52 H new ATOM 0 HG22 ILE A 29 6.123 -4.539 -3.664 1.00 44.52 H new ATOM 0 HG23 ILE A 29 7.354 -4.896 -2.429 1.00 44.52 H new ATOM 0 HD11 ILE A 29 9.021 -8.238 -1.517 1.00 22.02 H new ATOM 0 HD12 ILE A 29 8.696 -6.489 -1.578 1.00 22.02 H new ATOM 0 HD13 ILE A 29 7.537 -7.582 -0.785 1.00 22.02 H new ATOM 441 N GLU A 30 3.080 -6.501 -3.309 1.00 34.21 N ATOM 442 CA GLU A 30 1.875 -5.835 -3.835 1.00 13.43 C ATOM 443 C GLU A 30 0.953 -5.379 -2.685 1.00 61.33 C ATOM 444 O GLU A 30 0.542 -4.223 -2.643 1.00 22.24 O ATOM 445 CB GLU A 30 1.111 -6.776 -4.808 1.00 74.55 C ATOM 446 CG GLU A 30 1.831 -7.072 -6.150 1.00 75.30 C ATOM 447 CD GLU A 30 3.130 -7.900 -6.013 1.00 21.25 C ATOM 448 OE1 GLU A 30 4.234 -7.316 -5.967 1.00 53.31 O ATOM 449 OE2 GLU A 30 3.049 -9.140 -5.936 1.00 11.23 O1- ATOM 0 H GLU A 30 3.154 -7.483 -3.574 1.00 34.21 H new ATOM 0 HA GLU A 30 2.190 -4.950 -4.388 1.00 13.43 H new ATOM 0 HB2 GLU A 30 0.923 -7.722 -4.300 1.00 74.55 H new ATOM 0 HB3 GLU A 30 0.139 -6.333 -5.026 1.00 74.55 H new ATOM 0 HG2 GLU A 30 1.143 -7.605 -6.807 1.00 75.30 H new ATOM 0 HG3 GLU A 30 2.068 -6.126 -6.637 1.00 75.30 H new ATOM 456 N LYS A 31 0.669 -6.302 -1.751 1.00 42.42 N ATOM 457 CA LYS A 31 -0.184 -6.036 -0.569 1.00 20.43 C ATOM 458 C LYS A 31 0.490 -5.039 0.399 1.00 72.31 C ATOM 459 O LYS A 31 -0.194 -4.259 1.073 1.00 64.23 O ATOM 460 CB LYS A 31 -0.537 -7.400 0.125 1.00 51.54 C ATOM 461 CG LYS A 31 -1.063 -7.331 1.593 1.00 73.43 C ATOM 462 CD LYS A 31 0.070 -7.497 2.645 1.00 15.44 C ATOM 463 CE LYS A 31 -0.354 -7.073 4.058 1.00 1.21 C ATOM 464 NZ LYS A 31 -0.660 -5.615 4.113 1.00 24.03 N1+ ATOM 0 H LYS A 31 1.023 -7.258 -1.790 1.00 42.42 H new ATOM 0 HA LYS A 31 -1.112 -5.562 -0.888 1.00 20.43 H new ATOM 0 HB2 LYS A 31 -1.289 -7.904 -0.481 1.00 51.54 H new ATOM 0 HB3 LYS A 31 0.354 -8.027 0.113 1.00 51.54 H new ATOM 0 HG2 LYS A 31 -1.563 -6.375 1.751 1.00 73.43 H new ATOM 0 HG3 LYS A 31 -1.810 -8.110 1.744 1.00 73.43 H new ATOM 0 HD2 LYS A 31 0.389 -8.539 2.665 1.00 15.44 H new ATOM 0 HD3 LYS A 31 0.932 -6.905 2.338 1.00 15.44 H new ATOM 0 HE2 LYS A 31 -1.231 -7.643 4.364 1.00 1.21 H new ATOM 0 HE3 LYS A 31 0.442 -7.307 4.765 1.00 1.21 H new ATOM 0 HZ1 LYS A 31 -0.062 -5.162 4.833 1.00 24.03 H new ATOM 0 HZ2 LYS A 31 -0.470 -5.185 3.185 1.00 24.03 H new ATOM 0 HZ3 LYS A 31 -1.661 -5.479 4.359 1.00 24.03 H new ATOM 478 N GLN A 32 1.830 -5.081 0.458 1.00 51.34 N ATOM 479 CA GLN A 32 2.630 -4.222 1.352 1.00 62.33 C ATOM 480 C GLN A 32 2.621 -2.756 0.883 1.00 21.14 C ATOM 481 O GLN A 32 2.299 -1.844 1.659 1.00 14.51 O ATOM 482 CB GLN A 32 4.068 -4.776 1.437 1.00 61.30 C ATOM 483 CG GLN A 32 5.037 -3.953 2.302 1.00 31.30 C ATOM 484 CD GLN A 32 6.366 -4.662 2.550 1.00 61.40 C ATOM 485 OE1 GLN A 32 6.822 -5.460 1.728 1.00 73.41 O ATOM 486 NE2 GLN A 32 6.997 -4.389 3.683 1.00 35.14 N ATOM 0 H GLN A 32 2.393 -5.712 -0.113 1.00 51.34 H new ATOM 0 HA GLN A 32 2.184 -4.235 2.346 1.00 62.33 H new ATOM 0 HB2 GLN A 32 4.026 -5.791 1.832 1.00 61.30 H new ATOM 0 HB3 GLN A 32 4.475 -4.843 0.428 1.00 61.30 H new ATOM 0 HG2 GLN A 32 5.227 -2.997 1.815 1.00 31.30 H new ATOM 0 HG3 GLN A 32 4.564 -3.734 3.259 1.00 31.30 H new ATOM 0 HE21 GLN A 32 6.594 -3.724 4.343 1.00 35.14 H new ATOM 0 HE22 GLN A 32 7.885 -4.844 3.894 1.00 35.14 H new ATOM 495 N VAL A 33 2.970 -2.548 -0.397 1.00 55.22 N ATOM 496 CA VAL A 33 2.936 -1.221 -1.036 1.00 63.40 C ATOM 497 C VAL A 33 1.492 -0.671 -1.042 1.00 62.45 C ATOM 498 O VAL A 33 1.275 0.519 -0.807 1.00 21.44 O ATOM 499 CB VAL A 33 3.522 -1.293 -2.496 1.00 20.12 C ATOM 500 CG1 VAL A 33 3.408 0.051 -3.246 1.00 14.22 C ATOM 501 CG2 VAL A 33 4.991 -1.775 -2.473 1.00 32.25 C ATOM 0 H VAL A 33 3.284 -3.294 -1.018 1.00 55.22 H new ATOM 0 HA VAL A 33 3.560 -0.537 -0.460 1.00 63.40 H new ATOM 0 HB VAL A 33 2.918 -2.018 -3.042 1.00 20.12 H new ATOM 0 HG11 VAL A 33 3.827 -0.054 -4.247 1.00 14.22 H new ATOM 0 HG12 VAL A 33 2.359 0.339 -3.320 1.00 14.22 H new ATOM 0 HG13 VAL A 33 3.958 0.819 -2.702 1.00 14.22 H new ATOM 0 HG21 VAL A 33 5.376 -1.817 -3.492 1.00 32.25 H new ATOM 0 HG22 VAL A 33 5.593 -1.081 -1.886 1.00 32.25 H new ATOM 0 HG23 VAL A 33 5.041 -2.767 -2.024 1.00 32.25 H new ATOM 511 N ALA A 34 0.513 -1.577 -1.248 1.00 42.41 N ATOM 512 CA ALA A 34 -0.917 -1.239 -1.208 1.00 41.32 C ATOM 513 C ALA A 34 -1.339 -0.720 0.163 1.00 23.24 C ATOM 514 O ALA A 34 -2.075 0.264 0.251 1.00 71.30 O ATOM 515 CB ALA A 34 -1.761 -2.451 -1.576 1.00 32.45 C ATOM 0 H ALA A 34 0.696 -2.561 -1.446 1.00 42.41 H new ATOM 0 HA ALA A 34 -1.081 -0.445 -1.937 1.00 41.32 H new ATOM 0 HB1 ALA A 34 -2.817 -2.183 -1.541 1.00 32.45 H new ATOM 0 HB2 ALA A 34 -1.503 -2.782 -2.582 1.00 32.45 H new ATOM 0 HB3 ALA A 34 -1.568 -3.257 -0.868 1.00 32.45 H new ATOM 521 N ALA A 35 -0.846 -1.387 1.225 1.00 65.11 N ATOM 522 CA ALA A 35 -1.128 -0.994 2.608 1.00 53.42 C ATOM 523 C ALA A 35 -0.659 0.444 2.856 1.00 23.11 C ATOM 524 O ALA A 35 -1.419 1.259 3.368 1.00 22.43 O ATOM 525 CB ALA A 35 -0.469 -1.968 3.594 1.00 13.22 C ATOM 0 H ALA A 35 -0.245 -2.207 1.143 1.00 65.11 H new ATOM 0 HA ALA A 35 -2.205 -1.035 2.770 1.00 53.42 H new ATOM 0 HB1 ALA A 35 -0.691 -1.658 4.615 1.00 13.22 H new ATOM 0 HB2 ALA A 35 -0.857 -2.973 3.427 1.00 13.22 H new ATOM 0 HB3 ALA A 35 0.610 -1.966 3.441 1.00 13.22 H new ATOM 531 N LEU A 36 0.573 0.744 2.391 1.00 15.54 N ATOM 532 CA LEU A 36 1.205 2.066 2.547 1.00 31.03 C ATOM 533 C LEU A 36 0.432 3.158 1.778 1.00 71.02 C ATOM 534 O LEU A 36 0.199 4.240 2.312 1.00 43.20 O ATOM 535 CB LEU A 36 2.687 2.013 2.081 1.00 61.34 C ATOM 536 CG LEU A 36 3.626 1.058 2.882 1.00 63.04 C ATOM 537 CD1 LEU A 36 5.054 1.056 2.298 1.00 33.13 C ATOM 538 CD2 LEU A 36 3.638 1.417 4.384 1.00 1.31 C ATOM 0 H LEU A 36 1.157 0.071 1.895 1.00 15.54 H new ATOM 0 HA LEU A 36 1.177 2.328 3.605 1.00 31.03 H new ATOM 0 HB2 LEU A 36 2.706 1.713 1.033 1.00 61.34 H new ATOM 0 HB3 LEU A 36 3.099 3.021 2.132 1.00 61.34 H new ATOM 0 HG LEU A 36 3.229 0.048 2.785 1.00 63.04 H new ATOM 0 HD11 LEU A 36 5.683 0.381 2.878 1.00 33.13 H new ATOM 0 HD12 LEU A 36 5.023 0.721 1.261 1.00 33.13 H new ATOM 0 HD13 LEU A 36 5.466 2.064 2.342 1.00 33.13 H new ATOM 0 HD21 LEU A 36 4.301 0.735 4.916 1.00 1.31 H new ATOM 0 HD22 LEU A 36 3.993 2.440 4.511 1.00 1.31 H new ATOM 0 HD23 LEU A 36 2.629 1.330 4.787 1.00 1.31 H new ATOM 550 N TRP A 37 0.017 2.855 0.530 1.00 54.24 N ATOM 551 CA TRP A 37 -0.792 3.792 -0.288 1.00 63.41 C ATOM 552 C TRP A 37 -2.161 4.055 0.386 1.00 52.10 C ATOM 553 O TRP A 37 -2.689 5.163 0.325 1.00 22.01 O ATOM 554 CB TRP A 37 -1.016 3.253 -1.728 1.00 51.25 C ATOM 555 CG TRP A 37 0.188 3.218 -2.649 1.00 1.21 C ATOM 556 CD1 TRP A 37 1.503 3.168 -2.308 1.00 55.02 C ATOM 557 CD2 TRP A 37 0.161 3.199 -4.090 1.00 50.52 C ATOM 558 NE1 TRP A 37 2.290 3.137 -3.431 1.00 24.54 N ATOM 559 CE2 TRP A 37 1.493 3.148 -4.535 1.00 12.12 C ATOM 560 CE3 TRP A 37 -0.862 3.224 -5.044 1.00 72.34 C ATOM 561 CZ2 TRP A 37 1.832 3.120 -5.886 1.00 41.23 C ATOM 562 CZ3 TRP A 37 -0.527 3.195 -6.383 1.00 70.12 C ATOM 563 CH2 TRP A 37 0.811 3.143 -6.795 1.00 52.25 C ATOM 0 H TRP A 37 0.227 1.972 0.065 1.00 54.24 H new ATOM 0 HA TRP A 37 -0.234 4.726 -0.357 1.00 63.41 H new ATOM 0 HB2 TRP A 37 -1.413 2.241 -1.652 1.00 51.25 H new ATOM 0 HB3 TRP A 37 -1.786 3.863 -2.201 1.00 51.25 H new ATOM 0 HD1 TRP A 37 1.876 3.155 -1.295 1.00 55.02 H new ATOM 0 HE1 TRP A 37 3.310 3.110 -3.438 1.00 24.54 H new ATOM 0 HE3 TRP A 37 -1.897 3.265 -4.738 1.00 72.34 H new ATOM 0 HZ2 TRP A 37 2.864 3.082 -6.204 1.00 41.23 H new ATOM 0 HZ3 TRP A 37 -1.310 3.213 -7.126 1.00 70.12 H new ATOM 0 HH2 TRP A 37 1.040 3.121 -7.850 1.00 52.25 H new ATOM 574 N GLN A 38 -2.719 3.023 1.045 1.00 2.33 N ATOM 575 CA GLN A 38 -4.006 3.134 1.764 1.00 0.45 C ATOM 576 C GLN A 38 -3.859 3.894 3.092 1.00 42.50 C ATOM 577 O GLN A 38 -4.861 4.356 3.637 1.00 54.34 O ATOM 578 CB GLN A 38 -4.656 1.738 1.964 1.00 34.22 C ATOM 579 CG GLN A 38 -5.146 1.104 0.642 1.00 0.11 C ATOM 580 CD GLN A 38 -5.805 -0.268 0.785 1.00 4.21 C ATOM 581 OE1 GLN A 38 -6.424 -0.577 1.802 1.00 30.10 O ATOM 582 NE2 GLN A 38 -5.680 -1.107 -0.238 1.00 60.33 N ATOM 0 H GLN A 38 -2.297 2.096 1.096 1.00 2.33 H new ATOM 0 HA GLN A 38 -4.679 3.724 1.142 1.00 0.45 H new ATOM 0 HB2 GLN A 38 -3.933 1.071 2.434 1.00 34.22 H new ATOM 0 HB3 GLN A 38 -5.498 1.830 2.650 1.00 34.22 H new ATOM 0 HG2 GLN A 38 -5.857 1.784 0.173 1.00 0.11 H new ATOM 0 HG3 GLN A 38 -4.297 1.013 -0.036 1.00 0.11 H new ATOM 0 HE21 GLN A 38 -5.161 -0.824 -1.069 1.00 60.33 H new ATOM 0 HE22 GLN A 38 -6.103 -2.034 -0.192 1.00 60.33 H new ATOM 591 N GLN A 39 -2.621 4.027 3.616 1.00 42.33 N ATOM 592 CA GLN A 39 -2.355 4.865 4.807 1.00 41.25 C ATOM 593 C GLN A 39 -2.165 6.333 4.368 1.00 20.24 C ATOM 594 O GLN A 39 -2.999 7.193 4.674 1.00 61.30 O ATOM 595 CB GLN A 39 -1.097 4.384 5.601 1.00 0.45 C ATOM 596 CG GLN A 39 -1.066 2.881 5.947 1.00 74.12 C ATOM 597 CD GLN A 39 -2.336 2.345 6.628 1.00 64.34 C ATOM 598 OE1 GLN A 39 -2.991 3.035 7.412 1.00 21.00 O ATOM 599 NE2 GLN A 39 -2.711 1.113 6.308 1.00 41.43 N ATOM 0 H GLN A 39 -1.794 3.568 3.236 1.00 42.33 H new ATOM 0 HA GLN A 39 -3.213 4.777 5.473 1.00 41.25 H new ATOM 0 HB2 GLN A 39 -0.207 4.623 5.018 1.00 0.45 H new ATOM 0 HB3 GLN A 39 -1.034 4.954 6.528 1.00 0.45 H new ATOM 0 HG2 GLN A 39 -0.897 2.316 5.030 1.00 74.12 H new ATOM 0 HG3 GLN A 39 -0.214 2.691 6.600 1.00 74.12 H new ATOM 0 HE21 GLN A 39 -2.151 0.563 5.657 1.00 41.43 H new ATOM 0 HE22 GLN A 39 -3.559 0.716 6.713 1.00 41.43 H new ATOM 608 N LEU A 40 -1.101 6.572 3.566 1.00 3.11 N ATOM 609 CA LEU A 40 -0.654 7.920 3.168 1.00 53.24 C ATOM 610 C LEU A 40 -1.726 8.669 2.351 1.00 52.00 C ATOM 611 O LEU A 40 -1.943 9.864 2.562 1.00 33.43 O ATOM 612 CB LEU A 40 0.688 7.839 2.374 1.00 74.24 C ATOM 613 CG LEU A 40 2.000 7.610 3.208 1.00 21.41 C ATOM 614 CD1 LEU A 40 2.245 8.765 4.206 1.00 42.35 C ATOM 615 CD2 LEU A 40 2.029 6.238 3.922 1.00 42.14 C ATOM 0 H LEU A 40 -0.526 5.825 3.176 1.00 3.11 H new ATOM 0 HA LEU A 40 -0.489 8.491 4.082 1.00 53.24 H new ATOM 0 HB2 LEU A 40 0.603 7.031 1.648 1.00 74.24 H new ATOM 0 HB3 LEU A 40 0.803 8.764 1.809 1.00 74.24 H new ATOM 0 HG LEU A 40 2.820 7.603 2.490 1.00 21.41 H new ATOM 0 HD11 LEU A 40 3.160 8.574 4.766 1.00 42.35 H new ATOM 0 HD12 LEU A 40 2.343 9.703 3.660 1.00 42.35 H new ATOM 0 HD13 LEU A 40 1.405 8.833 4.897 1.00 42.35 H new ATOM 0 HD21 LEU A 40 2.959 6.138 4.481 1.00 42.14 H new ATOM 0 HD22 LEU A 40 1.184 6.166 4.607 1.00 42.14 H new ATOM 0 HD23 LEU A 40 1.964 5.441 3.181 1.00 42.14 H new ATOM 627 N LEU A 41 -2.390 7.960 1.412 1.00 35.22 N ATOM 628 CA LEU A 41 -3.452 8.562 0.570 1.00 70.23 C ATOM 629 C LEU A 41 -4.835 8.401 1.235 1.00 33.32 C ATOM 630 O LEU A 41 -5.791 9.083 0.842 1.00 54.24 O ATOM 631 CB LEU A 41 -3.466 7.927 -0.853 1.00 41.42 C ATOM 632 CG LEU A 41 -2.103 7.803 -1.585 1.00 74.03 C ATOM 633 CD1 LEU A 41 -2.275 7.238 -3.015 1.00 24.14 C ATOM 634 CD2 LEU A 41 -1.340 9.139 -1.576 1.00 12.04 C ATOM 0 H LEU A 41 -2.212 6.975 1.217 1.00 35.22 H new ATOM 0 HA LEU A 41 -3.233 9.625 0.471 1.00 70.23 H new ATOM 0 HB2 LEU A 41 -3.900 6.930 -0.774 1.00 41.42 H new ATOM 0 HB3 LEU A 41 -4.134 8.517 -1.480 1.00 41.42 H new ATOM 0 HG LEU A 41 -1.495 7.085 -1.035 1.00 74.03 H new ATOM 0 HD11 LEU A 41 -1.300 7.165 -3.497 1.00 24.14 H new ATOM 0 HD12 LEU A 41 -2.729 6.248 -2.963 1.00 24.14 H new ATOM 0 HD13 LEU A 41 -2.917 7.902 -3.594 1.00 24.14 H new ATOM 0 HD21 LEU A 41 -0.390 9.019 -2.096 1.00 12.04 H new ATOM 0 HD22 LEU A 41 -1.935 9.901 -2.079 1.00 12.04 H new ATOM 0 HD23 LEU A 41 -1.154 9.445 -0.546 1.00 12.04 H new ATOM 646 N SER A 42 -4.921 7.475 2.221 1.00 20.12 N ATOM 647 CA SER A 42 -6.144 7.218 3.023 1.00 20.24 C ATOM 648 C SER A 42 -7.277 6.646 2.136 1.00 22.53 C ATOM 649 O SER A 42 -8.451 7.014 2.270 1.00 31.52 O ATOM 650 CB SER A 42 -6.579 8.506 3.780 1.00 50.24 C ATOM 651 OG SER A 42 -5.481 9.084 4.471 1.00 21.51 O ATOM 0 H SER A 42 -4.136 6.879 2.485 1.00 20.12 H new ATOM 0 HA SER A 42 -5.919 6.461 3.774 1.00 20.24 H new ATOM 0 HB2 SER A 42 -6.989 9.227 3.073 1.00 50.24 H new ATOM 0 HB3 SER A 42 -7.373 8.266 4.487 1.00 50.24 H new ATOM 0 HG SER A 42 -4.764 8.422 4.557 1.00 21.51 H new ATOM 657 N THR A 43 -6.901 5.681 1.277 1.00 74.42 N ATOM 658 CA THR A 43 -7.756 5.155 0.197 1.00 15.14 C ATOM 659 C THR A 43 -8.403 3.807 0.571 1.00 0.14 C ATOM 660 O THR A 43 -7.917 3.099 1.462 1.00 71.40 O ATOM 661 CB THR A 43 -6.898 4.982 -1.096 1.00 13.14 C ATOM 662 OG1 THR A 43 -5.751 4.163 -0.815 1.00 63.00 O ATOM 663 CG2 THR A 43 -6.424 6.331 -1.649 1.00 3.04 C ATOM 0 H THR A 43 -5.983 5.239 1.314 1.00 74.42 H new ATOM 0 HA THR A 43 -8.562 5.869 0.030 1.00 15.14 H new ATOM 0 HB THR A 43 -7.529 4.506 -1.846 1.00 13.14 H new ATOM 0 HG1 THR A 43 -4.943 4.606 -1.148 1.00 63.00 H new ATOM 0 HG21 THR A 43 -5.830 6.167 -2.548 1.00 3.04 H new ATOM 0 HG22 THR A 43 -7.289 6.949 -1.892 1.00 3.04 H new ATOM 0 HG23 THR A 43 -5.815 6.838 -0.900 1.00 3.04 H new ATOM 671 N GLY A 44 -9.514 3.478 -0.126 1.00 53.13 N ATOM 672 CA GLY A 44 -10.221 2.212 0.059 1.00 64.52 C ATOM 673 C GLY A 44 -9.473 1.052 -0.580 1.00 21.32 C ATOM 674 O GLY A 44 -9.041 0.126 0.109 1.00 0.01 O ATOM 0 H GLY A 44 -9.936 4.087 -0.827 1.00 53.13 H new ATOM 0 HA2 GLY A 44 -10.350 2.019 1.124 1.00 64.52 H new ATOM 0 HA3 GLY A 44 -11.218 2.285 -0.375 1.00 64.52 H new ATOM 678 N ASN A 45 -9.316 1.116 -1.914 1.00 43.32 N ATOM 679 CA ASN A 45 -8.608 0.089 -2.698 1.00 33.54 C ATOM 680 C ASN A 45 -7.709 0.743 -3.748 1.00 32.40 C ATOM 681 O ASN A 45 -8.181 1.205 -4.792 1.00 42.11 O ATOM 682 CB ASN A 45 -9.593 -0.897 -3.394 1.00 62.20 C ATOM 683 CG ASN A 45 -10.246 -1.888 -2.438 1.00 2.21 C ATOM 684 OD1 ASN A 45 -9.706 -2.967 -2.179 1.00 4.40 O ATOM 685 ND2 ASN A 45 -11.405 -1.535 -1.905 1.00 11.40 N ATOM 0 H ASN A 45 -9.678 1.884 -2.480 1.00 43.32 H new ATOM 0 HA ASN A 45 -7.998 -0.483 -1.999 1.00 33.54 H new ATOM 0 HB2 ASN A 45 -10.372 -0.324 -3.897 1.00 62.20 H new ATOM 0 HB3 ASN A 45 -9.056 -1.450 -4.165 1.00 62.20 H new ATOM 0 HD21 ASN A 45 -11.881 -2.163 -1.257 1.00 11.40 H new ATOM 0 HD22 ASN A 45 -11.822 -0.635 -2.142 1.00 11.40 H new ATOM 692 N VAL A 46 -6.421 0.838 -3.434 1.00 23.21 N ATOM 693 CA VAL A 46 -5.377 0.993 -4.448 1.00 42.32 C ATOM 694 C VAL A 46 -5.052 -0.412 -4.992 1.00 61.44 C ATOM 695 O VAL A 46 -4.811 -1.352 -4.219 1.00 22.00 O ATOM 696 CB VAL A 46 -4.091 1.691 -3.879 1.00 5.41 C ATOM 697 CG1 VAL A 46 -4.365 3.179 -3.560 1.00 5.20 C ATOM 698 CG2 VAL A 46 -3.556 0.949 -2.640 1.00 21.14 C ATOM 0 H VAL A 46 -6.070 0.810 -2.477 1.00 23.21 H new ATOM 0 HA VAL A 46 -5.737 1.643 -5.245 1.00 42.32 H new ATOM 0 HB VAL A 46 -3.320 1.648 -4.649 1.00 5.41 H new ATOM 0 HG11 VAL A 46 -3.459 3.640 -3.167 1.00 5.20 H new ATOM 0 HG12 VAL A 46 -4.670 3.696 -4.470 1.00 5.20 H new ATOM 0 HG13 VAL A 46 -5.160 3.252 -2.818 1.00 5.20 H new ATOM 0 HG21 VAL A 46 -2.665 1.456 -2.269 1.00 21.14 H new ATOM 0 HG22 VAL A 46 -4.320 0.941 -1.862 1.00 21.14 H new ATOM 0 HG23 VAL A 46 -3.304 -0.076 -2.911 1.00 21.14 H new ATOM 708 N THR A 47 -5.118 -0.572 -6.308 1.00 73.01 N ATOM 709 CA THR A 47 -4.959 -1.873 -6.965 1.00 43.44 C ATOM 710 C THR A 47 -3.712 -1.890 -7.849 1.00 65.32 C ATOM 711 O THR A 47 -3.014 -0.878 -7.950 1.00 75.51 O ATOM 712 CB THR A 47 -6.236 -2.191 -7.800 1.00 32.54 C ATOM 713 OG1 THR A 47 -6.507 -1.132 -8.730 1.00 12.41 O ATOM 714 CG2 THR A 47 -7.456 -2.428 -6.895 1.00 33.43 C ATOM 0 H THR A 47 -5.284 0.198 -6.957 1.00 73.01 H new ATOM 0 HA THR A 47 -4.831 -2.642 -6.203 1.00 43.44 H new ATOM 0 HB THR A 47 -6.046 -3.109 -8.355 1.00 32.54 H new ATOM 0 HG1 THR A 47 -6.112 -0.298 -8.400 1.00 12.41 H new ATOM 0 HG21 THR A 47 -8.329 -2.647 -7.510 1.00 33.43 H new ATOM 0 HG22 THR A 47 -7.259 -3.270 -6.232 1.00 33.43 H new ATOM 0 HG23 THR A 47 -7.647 -1.535 -6.300 1.00 33.43 H new ATOM 722 N ARG A 48 -3.477 -3.051 -8.490 1.00 44.13 N ATOM 723 CA ARG A 48 -2.337 -3.319 -9.398 1.00 34.10 C ATOM 724 C ARG A 48 -2.058 -2.160 -10.375 1.00 73.05 C ATOM 725 O ARG A 48 -0.913 -1.709 -10.509 1.00 4.03 O ATOM 726 CB ARG A 48 -2.669 -4.621 -10.195 1.00 62.33 C ATOM 727 CG ARG A 48 -1.692 -4.979 -11.331 1.00 43.32 C ATOM 728 CD ARG A 48 -2.107 -6.209 -12.153 1.00 52.31 C ATOM 729 NE ARG A 48 -1.163 -6.435 -13.268 1.00 60.02 N ATOM 730 CZ ARG A 48 -1.157 -7.501 -14.091 1.00 75.14 C ATOM 731 NH1 ARG A 48 -2.051 -8.491 -13.948 1.00 61.32 N1+ ATOM 732 NH2 ARG A 48 -0.264 -7.563 -15.079 1.00 4.42 N ATOM 0 H ARG A 48 -4.094 -3.857 -8.389 1.00 44.13 H new ATOM 0 HA ARG A 48 -1.434 -3.431 -8.799 1.00 34.10 H new ATOM 0 HB2 ARG A 48 -2.703 -5.455 -9.494 1.00 62.33 H new ATOM 0 HB3 ARG A 48 -3.668 -4.520 -10.619 1.00 62.33 H new ATOM 0 HG2 ARG A 48 -1.600 -4.123 -12.000 1.00 43.32 H new ATOM 0 HG3 ARG A 48 -0.705 -5.157 -10.904 1.00 43.32 H new ATOM 0 HD2 ARG A 48 -2.136 -7.089 -11.511 1.00 52.31 H new ATOM 0 HD3 ARG A 48 -3.114 -6.067 -12.545 1.00 52.31 H new ATOM 0 HE ARG A 48 -0.453 -5.720 -13.428 1.00 60.02 H new ATOM 0 HH11 ARG A 48 -2.750 -8.444 -13.207 1.00 61.32 H new ATOM 0 HH12 ARG A 48 -2.032 -9.291 -14.581 1.00 61.32 H new ATOM 0 HH21 ARG A 48 0.408 -6.807 -15.207 1.00 4.42 H new ATOM 0 HH22 ARG A 48 -0.253 -8.367 -15.707 1.00 4.42 H new ATOM 746 N GLU A 49 -3.129 -1.669 -11.018 1.00 22.03 N ATOM 747 CA GLU A 49 -3.029 -0.676 -12.095 1.00 45.22 C ATOM 748 C GLU A 49 -3.626 0.679 -11.679 1.00 23.22 C ATOM 749 O GLU A 49 -4.061 1.465 -12.523 1.00 41.24 O ATOM 750 CB GLU A 49 -3.683 -1.238 -13.379 1.00 62.41 C ATOM 751 CG GLU A 49 -2.993 -2.498 -13.951 1.00 31.43 C ATOM 752 CD GLU A 49 -1.522 -2.275 -14.370 1.00 0.21 C ATOM 753 OE1 GLU A 49 -0.605 -2.561 -13.565 1.00 1.05 O ATOM 754 OE2 GLU A 49 -1.278 -1.818 -15.511 1.00 70.13 O1- ATOM 0 H GLU A 49 -4.086 -1.950 -10.805 1.00 22.03 H new ATOM 0 HA GLU A 49 -1.976 -0.486 -12.303 1.00 45.22 H new ATOM 0 HB2 GLU A 49 -4.726 -1.475 -13.167 1.00 62.41 H new ATOM 0 HB3 GLU A 49 -3.682 -0.460 -14.143 1.00 62.41 H new ATOM 0 HG2 GLU A 49 -3.031 -3.291 -13.204 1.00 31.43 H new ATOM 0 HG3 GLU A 49 -3.557 -2.847 -14.816 1.00 31.43 H new ATOM 761 N THR A 50 -3.636 0.939 -10.365 1.00 30.42 N ATOM 762 CA THR A 50 -3.874 2.278 -9.817 1.00 25.33 C ATOM 763 C THR A 50 -2.531 3.034 -9.751 1.00 63.25 C ATOM 764 O THR A 50 -1.505 2.453 -9.367 1.00 33.52 O ATOM 765 CB THR A 50 -4.520 2.185 -8.395 1.00 55.31 C ATOM 766 OG1 THR A 50 -5.766 1.459 -8.483 1.00 31.21 O ATOM 767 CG2 THR A 50 -4.778 3.567 -7.763 1.00 50.50 C ATOM 0 H THR A 50 -3.479 0.226 -9.653 1.00 30.42 H new ATOM 0 HA THR A 50 -4.567 2.817 -10.463 1.00 25.33 H new ATOM 0 HB THR A 50 -3.811 1.664 -7.752 1.00 55.31 H new ATOM 0 HG1 THR A 50 -6.381 1.780 -7.791 1.00 31.21 H new ATOM 0 HG21 THR A 50 -5.227 3.439 -6.778 1.00 50.50 H new ATOM 0 HG22 THR A 50 -3.835 4.104 -7.665 1.00 50.50 H new ATOM 0 HG23 THR A 50 -5.455 4.137 -8.399 1.00 50.50 H new ATOM 775 N ASP A 51 -2.552 4.316 -10.141 1.00 54.25 N ATOM 776 CA ASP A 51 -1.389 5.218 -10.039 1.00 54.15 C ATOM 777 C ASP A 51 -1.457 5.988 -8.716 1.00 2.24 C ATOM 778 O ASP A 51 -2.539 6.399 -8.289 1.00 73.44 O ATOM 779 CB ASP A 51 -1.359 6.200 -11.248 1.00 63.35 C ATOM 780 CG ASP A 51 -0.422 7.428 -11.096 1.00 21.41 C ATOM 781 OD1 ASP A 51 -0.840 8.558 -11.443 1.00 73.24 O ATOM 782 OD2 ASP A 51 0.722 7.281 -10.618 1.00 14.11 O1- ATOM 0 H ASP A 51 -3.379 4.762 -10.539 1.00 54.25 H new ATOM 0 HA ASP A 51 -0.472 4.630 -10.060 1.00 54.15 H new ATOM 0 HB2 ASP A 51 -1.058 5.644 -12.136 1.00 63.35 H new ATOM 0 HB3 ASP A 51 -2.373 6.560 -11.425 1.00 63.35 H new ATOM 787 N PHE A 52 -0.277 6.165 -8.092 1.00 15.33 N ATOM 788 CA PHE A 52 -0.111 6.886 -6.818 1.00 23.21 C ATOM 789 C PHE A 52 -0.630 8.329 -6.928 1.00 74.55 C ATOM 790 O PHE A 52 -1.467 8.762 -6.129 1.00 35.40 O ATOM 791 CB PHE A 52 1.392 6.885 -6.418 1.00 13.50 C ATOM 792 CG PHE A 52 1.693 7.495 -5.051 1.00 55.14 C ATOM 793 CD1 PHE A 52 2.260 8.769 -4.924 1.00 1.13 C ATOM 794 CD2 PHE A 52 1.392 6.793 -3.887 1.00 14.22 C ATOM 795 CE1 PHE A 52 2.508 9.308 -3.675 1.00 74.22 C ATOM 796 CE2 PHE A 52 1.645 7.334 -2.646 1.00 12.12 C ATOM 797 CZ PHE A 52 2.200 8.590 -2.539 1.00 55.42 C ATOM 0 H PHE A 52 0.601 5.805 -8.466 1.00 15.33 H new ATOM 0 HA PHE A 52 -0.695 6.379 -6.050 1.00 23.21 H new ATOM 0 HB2 PHE A 52 1.755 5.857 -6.429 1.00 13.50 H new ATOM 0 HB3 PHE A 52 1.955 7.431 -7.175 1.00 13.50 H new ATOM 0 HD1 PHE A 52 2.506 9.336 -5.810 1.00 1.13 H new ATOM 0 HD2 PHE A 52 0.953 5.809 -3.958 1.00 14.22 H new ATOM 0 HE1 PHE A 52 2.943 10.293 -3.589 1.00 74.22 H new ATOM 0 HE2 PHE A 52 1.408 6.772 -1.755 1.00 12.12 H new ATOM 0 HZ PHE A 52 2.394 9.013 -1.564 1.00 55.42 H new ATOM 807 N PHE A 53 -0.148 9.033 -7.966 1.00 45.50 N ATOM 808 CA PHE A 53 -0.388 10.471 -8.154 1.00 72.24 C ATOM 809 C PHE A 53 -1.876 10.759 -8.428 1.00 45.11 C ATOM 810 O PHE A 53 -2.471 11.647 -7.803 1.00 52.24 O ATOM 811 CB PHE A 53 0.501 11.011 -9.301 1.00 3.44 C ATOM 812 CG PHE A 53 2.007 10.867 -9.037 1.00 60.41 C ATOM 813 CD1 PHE A 53 2.722 9.752 -9.491 1.00 22.42 C ATOM 814 CD2 PHE A 53 2.708 11.848 -8.328 1.00 24.44 C ATOM 815 CE1 PHE A 53 4.077 9.624 -9.246 1.00 54.35 C ATOM 816 CE2 PHE A 53 4.065 11.715 -8.085 1.00 64.41 C ATOM 817 CZ PHE A 53 4.747 10.604 -8.545 1.00 3.13 C ATOM 0 H PHE A 53 0.422 8.616 -8.702 1.00 45.50 H new ATOM 0 HA PHE A 53 -0.121 10.987 -7.232 1.00 72.24 H new ATOM 0 HB2 PHE A 53 0.251 10.484 -10.221 1.00 3.44 H new ATOM 0 HB3 PHE A 53 0.269 12.064 -9.464 1.00 3.44 H new ATOM 0 HD1 PHE A 53 2.207 8.979 -10.042 1.00 22.42 H new ATOM 0 HD2 PHE A 53 2.184 12.720 -7.965 1.00 24.44 H new ATOM 0 HE1 PHE A 53 4.611 8.756 -9.604 1.00 54.35 H new ATOM 0 HE2 PHE A 53 4.592 12.481 -7.535 1.00 64.41 H new ATOM 0 HZ PHE A 53 5.805 10.504 -8.355 1.00 3.13 H new ATOM 827 N GLN A 54 -2.465 9.964 -9.336 1.00 1.01 N ATOM 828 CA GLN A 54 -3.891 10.071 -9.721 1.00 74.21 C ATOM 829 C GLN A 54 -4.815 9.801 -8.515 1.00 71.10 C ATOM 830 O GLN A 54 -5.885 10.410 -8.385 1.00 22.35 O ATOM 831 CB GLN A 54 -4.201 9.066 -10.866 1.00 70.42 C ATOM 832 CG GLN A 54 -5.687 9.009 -11.299 1.00 2.40 C ATOM 833 CD GLN A 54 -6.016 7.940 -12.346 1.00 13.42 C ATOM 834 OE1 GLN A 54 -7.118 7.377 -12.346 1.00 42.14 O ATOM 835 NE2 GLN A 54 -5.107 7.678 -13.275 1.00 41.44 N ATOM 0 H GLN A 54 -1.967 9.223 -9.829 1.00 1.01 H new ATOM 0 HA GLN A 54 -4.078 11.087 -10.068 1.00 74.21 H new ATOM 0 HB2 GLN A 54 -3.595 9.327 -11.733 1.00 70.42 H new ATOM 0 HB3 GLN A 54 -3.891 8.070 -10.549 1.00 70.42 H new ATOM 0 HG2 GLN A 54 -6.301 8.832 -10.416 1.00 2.40 H new ATOM 0 HG3 GLN A 54 -5.972 9.984 -11.695 1.00 2.40 H new ATOM 0 HE21 GLN A 54 -4.205 8.154 -13.255 1.00 41.44 H new ATOM 0 HE22 GLN A 54 -5.309 7.000 -14.010 1.00 41.44 H new ATOM 844 N GLN A 55 -4.362 8.909 -7.619 1.00 65.50 N ATOM 845 CA GLN A 55 -5.145 8.454 -6.447 1.00 4.31 C ATOM 846 C GLN A 55 -4.926 9.396 -5.223 1.00 22.01 C ATOM 847 O GLN A 55 -5.105 8.991 -4.065 1.00 34.43 O ATOM 848 CB GLN A 55 -4.787 6.965 -6.140 1.00 23.10 C ATOM 849 CG GLN A 55 -5.824 6.199 -5.283 1.00 62.41 C ATOM 850 CD GLN A 55 -7.227 6.135 -5.905 1.00 45.42 C ATOM 851 OE1 GLN A 55 -7.390 6.100 -7.123 1.00 53.43 O ATOM 852 NE2 GLN A 55 -8.254 6.124 -5.072 1.00 21.41 N ATOM 0 H GLN A 55 -3.439 8.479 -7.683 1.00 65.50 H new ATOM 0 HA GLN A 55 -6.210 8.504 -6.672 1.00 4.31 H new ATOM 0 HB2 GLN A 55 -4.660 6.437 -7.085 1.00 23.10 H new ATOM 0 HB3 GLN A 55 -3.825 6.938 -5.628 1.00 23.10 H new ATOM 0 HG2 GLN A 55 -5.464 5.183 -5.119 1.00 62.41 H new ATOM 0 HG3 GLN A 55 -5.893 6.675 -4.305 1.00 62.41 H new ATOM 0 HE21 GLN A 55 -8.094 6.154 -4.065 1.00 21.41 H new ATOM 0 HE22 GLN A 55 -9.206 6.086 -5.436 1.00 21.41 H new ATOM 861 N GLY A 56 -4.540 10.664 -5.496 1.00 32.24 N ATOM 862 CA GLY A 56 -4.384 11.692 -4.455 1.00 41.52 C ATOM 863 C GLY A 56 -2.975 11.756 -3.889 1.00 33.41 C ATOM 864 O GLY A 56 -2.764 12.253 -2.775 1.00 14.03 O ATOM 0 H GLY A 56 -4.331 10.996 -6.438 1.00 32.24 H new ATOM 0 HA2 GLY A 56 -4.647 12.665 -4.871 1.00 41.52 H new ATOM 0 HA3 GLY A 56 -5.086 11.491 -3.646 1.00 41.52 H new ATOM 868 N GLY A 57 -2.016 11.232 -4.666 1.00 3.33 N ATOM 869 CA GLY A 57 -0.603 11.265 -4.316 1.00 61.32 C ATOM 870 C GLY A 57 0.138 12.412 -4.979 1.00 54.21 C ATOM 871 O GLY A 57 -0.308 12.961 -5.995 1.00 41.51 O ATOM 0 H GLY A 57 -2.207 10.773 -5.557 1.00 3.33 H new ATOM 0 HA2 GLY A 57 -0.503 11.350 -3.234 1.00 61.32 H new ATOM 0 HA3 GLY A 57 -0.139 10.322 -4.606 1.00 61.32 H new ATOM 875 N ASP A 58 1.279 12.762 -4.398 1.00 1.54 N ATOM 876 CA ASP A 58 2.183 13.804 -4.916 1.00 52.00 C ATOM 877 C ASP A 58 3.628 13.412 -4.563 1.00 42.45 C ATOM 878 O ASP A 58 3.829 12.510 -3.743 1.00 2.52 O ATOM 879 CB ASP A 58 1.793 15.189 -4.317 1.00 33.24 C ATOM 880 CG ASP A 58 2.733 16.345 -4.720 1.00 13.43 C ATOM 881 OD1 ASP A 58 2.851 16.641 -5.929 1.00 33.43 O ATOM 882 OD2 ASP A 58 3.363 16.959 -3.835 1.00 24.25 O1- ATOM 0 H ASP A 58 1.616 12.328 -3.539 1.00 1.54 H new ATOM 0 HA ASP A 58 2.098 13.886 -6.000 1.00 52.00 H new ATOM 0 HB2 ASP A 58 0.779 15.435 -4.632 1.00 33.24 H new ATOM 0 HB3 ASP A 58 1.779 15.110 -3.230 1.00 33.24 H new ATOM 887 N SER A 59 4.618 14.086 -5.181 1.00 60.21 N ATOM 888 CA SER A 59 6.048 13.875 -4.906 1.00 54.11 C ATOM 889 C SER A 59 6.392 14.044 -3.402 1.00 51.42 C ATOM 890 O SER A 59 7.306 13.386 -2.896 1.00 32.40 O ATOM 891 CB SER A 59 6.876 14.847 -5.766 1.00 62.22 C ATOM 892 OG SER A 59 6.504 16.191 -5.510 1.00 1.02 O ATOM 0 H SER A 59 4.443 14.798 -5.891 1.00 60.21 H new ATOM 0 HA SER A 59 6.295 12.846 -5.166 1.00 54.11 H new ATOM 0 HB2 SER A 59 7.937 14.712 -5.555 1.00 62.22 H new ATOM 0 HB3 SER A 59 6.730 14.620 -6.822 1.00 62.22 H new ATOM 0 HG SER A 59 7.044 16.791 -6.066 1.00 1.02 H new ATOM 898 N LEU A 60 5.637 14.921 -2.705 1.00 4.34 N ATOM 899 CA LEU A 60 5.755 15.149 -1.245 1.00 53.11 C ATOM 900 C LEU A 60 5.381 13.852 -0.482 1.00 0.24 C ATOM 901 O LEU A 60 6.164 13.342 0.329 1.00 11.31 O ATOM 902 CB LEU A 60 4.829 16.356 -0.847 1.00 71.23 C ATOM 903 CG LEU A 60 4.971 17.003 0.586 1.00 73.24 C ATOM 904 CD1 LEU A 60 4.408 16.117 1.714 1.00 73.34 C ATOM 905 CD2 LEU A 60 6.428 17.421 0.879 1.00 2.34 C ATOM 0 H LEU A 60 4.920 15.498 -3.144 1.00 4.34 H new ATOM 0 HA LEU A 60 6.781 15.400 -0.975 1.00 53.11 H new ATOM 0 HB2 LEU A 60 4.989 17.147 -1.580 1.00 71.23 H new ATOM 0 HB3 LEU A 60 3.796 16.025 -0.956 1.00 71.23 H new ATOM 0 HG LEU A 60 4.356 17.903 0.568 1.00 73.24 H new ATOM 0 HD11 LEU A 60 4.538 16.621 2.672 1.00 73.34 H new ATOM 0 HD12 LEU A 60 3.347 15.936 1.540 1.00 73.34 H new ATOM 0 HD13 LEU A 60 4.940 15.166 1.730 1.00 73.34 H new ATOM 0 HD21 LEU A 60 6.487 17.862 1.874 1.00 2.34 H new ATOM 0 HD22 LEU A 60 7.074 16.545 0.832 1.00 2.34 H new ATOM 0 HD23 LEU A 60 6.753 18.152 0.138 1.00 2.34 H new ATOM 917 N LEU A 61 4.180 13.319 -0.792 1.00 23.13 N ATOM 918 CA LEU A 61 3.652 12.077 -0.184 1.00 75.35 C ATOM 919 C LEU A 61 4.486 10.855 -0.627 1.00 3.34 C ATOM 920 O LEU A 61 4.569 9.855 0.091 1.00 4.34 O ATOM 921 CB LEU A 61 2.160 11.878 -0.586 1.00 22.23 C ATOM 922 CG LEU A 61 1.179 13.035 -0.208 1.00 3.41 C ATOM 923 CD1 LEU A 61 -0.251 12.737 -0.711 1.00 30.44 C ATOM 924 CD2 LEU A 61 1.187 13.314 1.311 1.00 32.52 C ATOM 0 H LEU A 61 3.547 13.738 -1.473 1.00 23.13 H new ATOM 0 HA LEU A 61 3.721 12.168 0.900 1.00 75.35 H new ATOM 0 HB2 LEU A 61 2.114 11.729 -1.665 1.00 22.23 H new ATOM 0 HB3 LEU A 61 1.800 10.960 -0.122 1.00 22.23 H new ATOM 0 HG LEU A 61 1.531 13.938 -0.707 1.00 3.41 H new ATOM 0 HD11 LEU A 61 -0.912 13.558 -0.434 1.00 30.44 H new ATOM 0 HD12 LEU A 61 -0.240 12.629 -1.796 1.00 30.44 H new ATOM 0 HD13 LEU A 61 -0.611 11.813 -0.258 1.00 30.44 H new ATOM 0 HD21 LEU A 61 0.493 14.124 1.536 1.00 32.52 H new ATOM 0 HD22 LEU A 61 0.882 12.416 1.848 1.00 32.52 H new ATOM 0 HD23 LEU A 61 2.192 13.599 1.623 1.00 32.52 H new ATOM 936 N ALA A 62 5.107 10.977 -1.815 1.00 33.11 N ATOM 937 CA ALA A 62 5.896 9.913 -2.451 1.00 42.11 C ATOM 938 C ALA A 62 7.249 9.736 -1.770 1.00 72.13 C ATOM 939 O ALA A 62 7.749 8.622 -1.674 1.00 22.43 O ATOM 940 CB ALA A 62 6.073 10.233 -3.935 1.00 71.54 C ATOM 0 H ALA A 62 5.072 11.834 -2.367 1.00 33.11 H new ATOM 0 HA ALA A 62 5.359 8.971 -2.345 1.00 42.11 H new ATOM 0 HB1 ALA A 62 6.658 9.445 -4.410 1.00 71.54 H new ATOM 0 HB2 ALA A 62 5.095 10.297 -4.413 1.00 71.54 H new ATOM 0 HB3 ALA A 62 6.592 11.185 -4.042 1.00 71.54 H new ATOM 946 N THR A 63 7.832 10.859 -1.318 1.00 51.40 N ATOM 947 CA THR A 63 9.079 10.874 -0.522 1.00 42.43 C ATOM 948 C THR A 63 8.888 10.105 0.809 1.00 34.11 C ATOM 949 O THR A 63 9.795 9.419 1.293 1.00 41.22 O ATOM 950 CB THR A 63 9.518 12.357 -0.250 1.00 51.23 C ATOM 951 OG1 THR A 63 9.730 13.017 -1.506 1.00 2.45 O ATOM 952 CG2 THR A 63 10.801 12.476 0.598 1.00 61.44 C ATOM 0 H THR A 63 7.452 11.789 -1.494 1.00 51.40 H new ATOM 0 HA THR A 63 9.865 10.373 -1.088 1.00 42.43 H new ATOM 0 HB THR A 63 8.716 12.824 0.322 1.00 51.23 H new ATOM 0 HG1 THR A 63 8.872 13.129 -1.966 1.00 2.45 H new ATOM 0 HG21 THR A 63 11.043 13.528 0.745 1.00 61.44 H new ATOM 0 HG22 THR A 63 10.643 12.001 1.566 1.00 61.44 H new ATOM 0 HG23 THR A 63 11.625 11.983 0.082 1.00 61.44 H new ATOM 960 N ARG A 64 7.668 10.208 1.364 1.00 32.53 N ATOM 961 CA ARG A 64 7.288 9.546 2.621 1.00 54.11 C ATOM 962 C ARG A 64 6.890 8.080 2.373 1.00 75.34 C ATOM 963 O ARG A 64 7.120 7.225 3.223 1.00 4.55 O ATOM 964 CB ARG A 64 6.127 10.329 3.279 1.00 3.03 C ATOM 965 CG ARG A 64 6.459 11.816 3.516 1.00 44.35 C ATOM 966 CD ARG A 64 5.336 12.602 4.204 1.00 12.02 C ATOM 967 NE ARG A 64 5.731 14.002 4.429 1.00 13.42 N ATOM 968 CZ ARG A 64 4.940 14.960 4.935 1.00 34.45 C ATOM 969 NH1 ARG A 64 3.683 14.694 5.303 1.00 52.03 N1+ ATOM 970 NH2 ARG A 64 5.401 16.205 5.036 1.00 4.03 N ATOM 0 H ARG A 64 6.914 10.756 0.949 1.00 32.53 H new ATOM 0 HA ARG A 64 8.145 9.542 3.295 1.00 54.11 H new ATOM 0 HB2 ARG A 64 5.243 10.257 2.646 1.00 3.03 H new ATOM 0 HB3 ARG A 64 5.876 9.863 4.232 1.00 3.03 H new ATOM 0 HG2 ARG A 64 7.362 11.884 4.123 1.00 44.35 H new ATOM 0 HG3 ARG A 64 6.683 12.285 2.558 1.00 44.35 H new ATOM 0 HD2 ARG A 64 4.436 12.569 3.590 1.00 12.02 H new ATOM 0 HD3 ARG A 64 5.090 12.133 5.156 1.00 12.02 H new ATOM 0 HE ARG A 64 6.684 14.265 4.180 1.00 13.42 H new ATOM 0 HH11 ARG A 64 3.311 13.750 5.201 1.00 52.03 H new ATOM 0 HH12 ARG A 64 3.096 15.435 5.686 1.00 52.03 H new ATOM 0 HH21 ARG A 64 6.349 16.424 4.730 1.00 4.03 H new ATOM 0 HH22 ARG A 64 4.806 16.940 5.420 1.00 4.03 H new ATOM 984 N LEU A 65 6.303 7.814 1.193 1.00 23.21 N ATOM 985 CA LEU A 65 5.856 6.467 0.780 1.00 72.34 C ATOM 986 C LEU A 65 7.087 5.561 0.603 1.00 54.43 C ATOM 987 O LEU A 65 7.176 4.469 1.185 1.00 25.32 O ATOM 988 CB LEU A 65 5.038 6.580 -0.555 1.00 22.14 C ATOM 989 CG LEU A 65 4.089 5.389 -0.930 1.00 24.14 C ATOM 990 CD1 LEU A 65 4.839 4.089 -1.314 1.00 70.21 C ATOM 991 CD2 LEU A 65 3.070 5.148 0.202 1.00 24.43 C ATOM 0 H LEU A 65 6.123 8.532 0.491 1.00 23.21 H new ATOM 0 HA LEU A 65 5.211 6.029 1.542 1.00 72.34 H new ATOM 0 HB2 LEU A 65 4.435 7.486 -0.503 1.00 22.14 H new ATOM 0 HB3 LEU A 65 5.746 6.715 -1.372 1.00 22.14 H new ATOM 0 HG LEU A 65 3.555 5.683 -1.834 1.00 24.14 H new ATOM 0 HD11 LEU A 65 4.116 3.311 -1.560 1.00 70.21 H new ATOM 0 HD12 LEU A 65 5.477 4.278 -2.177 1.00 70.21 H new ATOM 0 HD13 LEU A 65 5.453 3.761 -0.475 1.00 70.21 H new ATOM 0 HD21 LEU A 65 2.416 4.319 -0.068 1.00 24.43 H new ATOM 0 HD22 LEU A 65 3.600 4.907 1.123 1.00 24.43 H new ATOM 0 HD23 LEU A 65 2.473 6.048 0.352 1.00 24.43 H new ATOM 1003 N THR A 66 8.031 6.059 -0.199 1.00 13.30 N ATOM 1004 CA THR A 66 9.302 5.389 -0.471 1.00 12.21 C ATOM 1005 C THR A 66 10.174 5.340 0.803 1.00 63.33 C ATOM 1006 O THR A 66 10.940 4.395 1.015 1.00 13.30 O ATOM 1007 CB THR A 66 10.041 6.121 -1.626 1.00 64.34 C ATOM 1008 OG1 THR A 66 10.268 7.500 -1.281 1.00 64.20 O ATOM 1009 CG2 THR A 66 9.246 6.044 -2.951 1.00 73.01 C ATOM 0 H THR A 66 7.931 6.951 -0.684 1.00 13.30 H new ATOM 0 HA THR A 66 9.106 4.361 -0.778 1.00 12.21 H new ATOM 0 HB THR A 66 10.997 5.618 -1.771 1.00 64.34 H new ATOM 0 HG1 THR A 66 9.438 8.008 -1.400 1.00 64.20 H new ATOM 0 HG21 THR A 66 9.794 6.567 -3.735 1.00 73.01 H new ATOM 0 HG22 THR A 66 9.113 5.000 -3.235 1.00 73.01 H new ATOM 0 HG23 THR A 66 8.270 6.511 -2.817 1.00 73.01 H new ATOM 1017 N GLY A 67 10.023 6.385 1.639 1.00 33.30 N ATOM 1018 CA GLY A 67 10.601 6.436 2.985 1.00 10.21 C ATOM 1019 C GLY A 67 10.118 5.311 3.905 1.00 3.13 C ATOM 1020 O GLY A 67 10.911 4.760 4.668 1.00 60.41 O ATOM 0 H GLY A 67 9.492 7.220 1.393 1.00 33.30 H new ATOM 0 HA2 GLY A 67 11.687 6.388 2.907 1.00 10.21 H new ATOM 0 HA3 GLY A 67 10.356 7.396 3.440 1.00 10.21 H new ATOM 1024 N GLN A 68 8.815 4.973 3.817 1.00 64.34 N ATOM 1025 CA GLN A 68 8.215 3.832 4.548 1.00 53.45 C ATOM 1026 C GLN A 68 8.845 2.507 4.068 1.00 62.14 C ATOM 1027 O GLN A 68 9.139 1.615 4.874 1.00 45.22 O ATOM 1028 CB GLN A 68 6.654 3.803 4.372 1.00 60.11 C ATOM 1029 CG GLN A 68 5.828 4.343 5.563 1.00 51.01 C ATOM 1030 CD GLN A 68 6.037 5.831 5.866 1.00 4.24 C ATOM 1031 OE1 GLN A 68 5.240 6.686 5.239 1.00 22.22 O flip ATOM 1032 NE2 GLN A 68 6.900 6.206 6.662 1.00 65.31 N flip ATOM 0 H GLN A 68 8.147 5.482 3.238 1.00 64.34 H new ATOM 0 HA GLN A 68 8.424 3.956 5.610 1.00 53.45 H new ATOM 0 HB2 GLN A 68 6.397 4.382 3.485 1.00 60.11 H new ATOM 0 HB3 GLN A 68 6.349 2.774 4.180 1.00 60.11 H new ATOM 0 HG2 GLN A 68 4.771 4.172 5.361 1.00 51.01 H new ATOM 0 HG3 GLN A 68 6.080 3.766 6.453 1.00 51.01 H new ATOM 0 HE21 GLN A 68 7.496 5.522 7.127 1.00 65.31 H new ATOM 0 HE22 GLN A 68 7.018 7.201 6.856 1.00 65.31 H new ATOM 1041 N LEU A 69 9.067 2.409 2.743 1.00 1.33 N ATOM 1042 CA LEU A 69 9.709 1.241 2.115 1.00 1.03 C ATOM 1043 C LEU A 69 11.178 1.091 2.563 1.00 4.23 C ATOM 1044 O LEU A 69 11.644 -0.031 2.712 1.00 74.44 O ATOM 1045 CB LEU A 69 9.584 1.329 0.571 1.00 24.03 C ATOM 1046 CG LEU A 69 8.146 1.082 0.011 1.00 51.33 C ATOM 1047 CD1 LEU A 69 8.042 1.476 -1.470 1.00 34.13 C ATOM 1048 CD2 LEU A 69 7.709 -0.385 0.229 1.00 45.31 C ATOM 0 H LEU A 69 8.806 3.138 2.079 1.00 1.33 H new ATOM 0 HA LEU A 69 9.189 0.343 2.448 1.00 1.03 H new ATOM 0 HB2 LEU A 69 9.918 2.315 0.250 1.00 24.03 H new ATOM 0 HB3 LEU A 69 10.262 0.602 0.124 1.00 24.03 H new ATOM 0 HG LEU A 69 7.463 1.723 0.568 1.00 51.33 H new ATOM 0 HD11 LEU A 69 7.028 1.291 -1.825 1.00 34.13 H new ATOM 0 HD12 LEU A 69 8.278 2.534 -1.582 1.00 34.13 H new ATOM 0 HD13 LEU A 69 8.746 0.883 -2.054 1.00 34.13 H new ATOM 0 HD21 LEU A 69 6.705 -0.529 -0.170 1.00 45.31 H new ATOM 0 HD22 LEU A 69 8.402 -1.051 -0.284 1.00 45.31 H new ATOM 0 HD23 LEU A 69 7.711 -0.611 1.295 1.00 45.31 H new ATOM 1060 N HIS A 70 11.873 2.226 2.825 1.00 74.05 N ATOM 1061 CA HIS A 70 13.266 2.214 3.365 1.00 35.14 C ATOM 1062 C HIS A 70 13.317 1.491 4.723 1.00 54.13 C ATOM 1063 O HIS A 70 14.242 0.721 5.008 1.00 71.21 O ATOM 1064 CB HIS A 70 13.829 3.654 3.542 1.00 55.13 C ATOM 1065 CG HIS A 70 13.944 4.468 2.279 1.00 1.41 C ATOM 1066 ND1 HIS A 70 13.854 5.846 2.269 1.00 15.33 N ATOM 1067 CD2 HIS A 70 14.170 4.105 0.992 1.00 4.13 C ATOM 1068 CE1 HIS A 70 14.013 6.292 1.042 1.00 34.32 C ATOM 1069 NE2 HIS A 70 14.207 5.258 0.251 1.00 61.42 N ATOM 0 H HIS A 70 11.497 3.162 2.673 1.00 74.05 H new ATOM 0 HA HIS A 70 13.881 1.683 2.639 1.00 35.14 H new ATOM 0 HB2 HIS A 70 13.189 4.191 4.242 1.00 55.13 H new ATOM 0 HB3 HIS A 70 14.816 3.585 4.000 1.00 55.13 H new ATOM 0 HD2 HIS A 70 14.297 3.099 0.621 1.00 4.13 H new ATOM 0 HE1 HIS A 70 13.989 7.328 0.736 1.00 34.32 H new ATOM 0 HE2 HIS A 70 14.361 5.307 -0.756 1.00 61.42 H new ATOM 1078 N GLN A 71 12.278 1.749 5.532 1.00 51.42 N ATOM 1079 CA GLN A 71 12.118 1.159 6.875 1.00 45.22 C ATOM 1080 C GLN A 71 11.707 -0.327 6.767 1.00 10.23 C ATOM 1081 O GLN A 71 11.923 -1.107 7.694 1.00 1.43 O ATOM 1082 CB GLN A 71 11.057 1.969 7.668 1.00 34.14 C ATOM 1083 CG GLN A 71 11.282 3.498 7.635 1.00 42.30 C ATOM 1084 CD GLN A 71 10.234 4.311 8.402 1.00 63.32 C ATOM 1085 OE1 GLN A 71 9.691 3.868 9.414 1.00 55.01 O ATOM 1086 NE2 GLN A 71 9.922 5.500 7.906 1.00 73.24 N ATOM 0 H GLN A 71 11.518 2.378 5.273 1.00 51.42 H new ATOM 0 HA GLN A 71 13.069 1.204 7.406 1.00 45.22 H new ATOM 0 HB2 GLN A 71 10.069 1.748 7.264 1.00 34.14 H new ATOM 0 HB3 GLN A 71 11.059 1.634 8.705 1.00 34.14 H new ATOM 0 HG2 GLN A 71 12.267 3.717 8.048 1.00 42.30 H new ATOM 0 HG3 GLN A 71 11.291 3.829 6.596 1.00 42.30 H new ATOM 0 HE21 GLN A 71 10.389 5.841 7.066 1.00 73.24 H new ATOM 0 HE22 GLN A 71 9.215 6.074 8.365 1.00 73.24 H new ATOM 1095 N ALA A 72 11.105 -0.692 5.618 1.00 23.20 N ATOM 1096 CA ALA A 72 10.722 -2.083 5.297 1.00 10.14 C ATOM 1097 C ALA A 72 11.870 -2.851 4.602 1.00 11.15 C ATOM 1098 O ALA A 72 11.721 -4.037 4.278 1.00 32.53 O ATOM 1099 CB ALA A 72 9.452 -2.083 4.426 1.00 20.04 C ATOM 0 H ALA A 72 10.869 -0.027 4.882 1.00 23.20 H new ATOM 0 HA ALA A 72 10.515 -2.604 6.232 1.00 10.14 H new ATOM 0 HB1 ALA A 72 9.172 -3.110 4.191 1.00 20.04 H new ATOM 0 HB2 ALA A 72 8.639 -1.600 4.968 1.00 20.04 H new ATOM 0 HB3 ALA A 72 9.645 -1.539 3.501 1.00 20.04 H new ATOM 1105 N GLY A 73 13.016 -2.177 4.388 1.00 2.24 N ATOM 1106 CA GLY A 73 14.193 -2.804 3.770 1.00 61.24 C ATOM 1107 C GLY A 73 14.104 -2.884 2.249 1.00 11.31 C ATOM 1108 O GLY A 73 14.550 -3.863 1.642 1.00 43.42 O ATOM 0 H GLY A 73 13.149 -1.196 4.636 1.00 2.24 H new ATOM 0 HA2 GLY A 73 15.084 -2.240 4.046 1.00 61.24 H new ATOM 0 HA3 GLY A 73 14.315 -3.809 4.173 1.00 61.24 H new ATOM 1112 N TYR A 74 13.461 -1.876 1.647 1.00 21.33 N ATOM 1113 CA TYR A 74 13.382 -1.696 0.183 1.00 62.10 C ATOM 1114 C TYR A 74 13.956 -0.331 -0.191 1.00 51.04 C ATOM 1115 O TYR A 74 13.653 0.679 0.463 1.00 43.51 O ATOM 1116 CB TYR A 74 11.916 -1.791 -0.321 1.00 12.33 C ATOM 1117 CG TYR A 74 11.234 -3.096 0.070 1.00 53.31 C ATOM 1118 CD1 TYR A 74 10.342 -3.143 1.134 1.00 12.54 C ATOM 1119 CD2 TYR A 74 11.522 -4.289 -0.593 1.00 53.10 C ATOM 1120 CE1 TYR A 74 9.758 -4.326 1.527 1.00 52.55 C ATOM 1121 CE2 TYR A 74 10.928 -5.472 -0.207 1.00 32.41 C ATOM 1122 CZ TYR A 74 10.053 -5.486 0.857 1.00 71.23 C ATOM 1123 OH TYR A 74 9.476 -6.674 1.257 1.00 34.40 O ATOM 0 H TYR A 74 12.971 -1.148 2.167 1.00 21.33 H new ATOM 0 HA TYR A 74 13.958 -2.492 -0.289 1.00 62.10 H new ATOM 0 HB2 TYR A 74 11.345 -0.954 0.081 1.00 12.33 H new ATOM 0 HB3 TYR A 74 11.904 -1.692 -1.406 1.00 12.33 H new ATOM 0 HD1 TYR A 74 10.102 -2.233 1.664 1.00 12.54 H new ATOM 0 HD2 TYR A 74 12.218 -4.286 -1.418 1.00 53.10 H new ATOM 0 HE1 TYR A 74 9.070 -4.341 2.360 1.00 52.55 H new ATOM 0 HE2 TYR A 74 11.148 -6.386 -0.738 1.00 32.41 H new ATOM 0 HH TYR A 74 8.535 -6.521 1.482 1.00 34.40 H new ATOM 1133 N GLU A 75 14.773 -0.301 -1.239 1.00 30.25 N ATOM 1134 CA GLU A 75 15.298 0.939 -1.792 1.00 41.40 C ATOM 1135 C GLU A 75 14.297 1.427 -2.854 1.00 12.03 C ATOM 1136 O GLU A 75 14.054 0.737 -3.855 1.00 11.22 O ATOM 1137 CB GLU A 75 16.718 0.695 -2.369 1.00 4.53 C ATOM 1138 CG GLU A 75 17.574 1.962 -2.636 1.00 64.50 C ATOM 1139 CD GLU A 75 17.066 2.854 -3.784 1.00 52.24 C ATOM 1140 OE1 GLU A 75 16.579 3.980 -3.530 1.00 24.20 O ATOM 1141 OE2 GLU A 75 17.145 2.420 -4.952 1.00 40.51 O1- ATOM 0 H GLU A 75 15.089 -1.138 -1.728 1.00 30.25 H new ATOM 0 HA GLU A 75 15.405 1.712 -1.031 1.00 41.40 H new ATOM 0 HB2 GLU A 75 17.263 0.052 -1.678 1.00 4.53 H new ATOM 0 HB3 GLU A 75 16.618 0.145 -3.305 1.00 4.53 H new ATOM 0 HG2 GLU A 75 17.613 2.556 -1.723 1.00 64.50 H new ATOM 0 HG3 GLU A 75 18.595 1.653 -2.859 1.00 64.50 H new ATOM 1148 N ALA A 76 13.712 2.600 -2.593 1.00 70.33 N ATOM 1149 CA ALA A 76 12.663 3.202 -3.418 1.00 75.30 C ATOM 1150 C ALA A 76 12.823 4.725 -3.394 1.00 43.33 C ATOM 1151 O ALA A 76 13.102 5.303 -2.338 1.00 71.03 O ATOM 1152 CB ALA A 76 11.275 2.782 -2.899 1.00 20.55 C ATOM 0 H ALA A 76 13.961 3.169 -1.784 1.00 70.33 H new ATOM 0 HA ALA A 76 12.753 2.853 -4.447 1.00 75.30 H new ATOM 0 HB1 ALA A 76 10.502 3.235 -3.520 1.00 20.55 H new ATOM 0 HB2 ALA A 76 11.184 1.697 -2.941 1.00 20.55 H new ATOM 0 HB3 ALA A 76 11.155 3.117 -1.869 1.00 20.55 H new ATOM 1158 N GLN A 77 12.642 5.360 -4.550 1.00 34.23 N ATOM 1159 CA GLN A 77 12.767 6.825 -4.720 1.00 51.31 C ATOM 1160 C GLN A 77 11.581 7.309 -5.587 1.00 12.24 C ATOM 1161 O GLN A 77 10.884 6.486 -6.196 1.00 53.11 O ATOM 1162 CB GLN A 77 14.170 7.165 -5.349 1.00 13.23 C ATOM 1163 CG GLN A 77 14.842 8.468 -4.832 1.00 44.22 C ATOM 1164 CD GLN A 77 14.296 9.771 -5.438 1.00 14.22 C ATOM 1165 OE1 GLN A 77 13.876 9.813 -6.595 1.00 54.35 O ATOM 1166 NE2 GLN A 77 14.281 10.837 -4.657 1.00 65.53 N ATOM 0 H GLN A 77 12.401 4.874 -5.414 1.00 34.23 H new ATOM 0 HA GLN A 77 12.722 7.347 -3.764 1.00 51.31 H new ATOM 0 HB2 GLN A 77 14.845 6.330 -5.159 1.00 13.23 H new ATOM 0 HB3 GLN A 77 14.054 7.242 -6.430 1.00 13.23 H new ATOM 0 HG2 GLN A 77 14.725 8.513 -3.749 1.00 44.22 H new ATOM 0 HG3 GLN A 77 15.911 8.412 -5.035 1.00 44.22 H new ATOM 0 HE21 GLN A 77 14.635 10.775 -3.702 1.00 65.53 H new ATOM 0 HE22 GLN A 77 13.915 11.722 -5.009 1.00 65.53 H new ATOM 1175 N LEU A 78 11.318 8.628 -5.586 1.00 44.24 N ATOM 1176 CA LEU A 78 10.323 9.276 -6.475 1.00 21.22 C ATOM 1177 C LEU A 78 10.543 8.873 -7.960 1.00 43.43 C ATOM 1178 O LEU A 78 9.577 8.766 -8.731 1.00 41.43 O ATOM 1179 CB LEU A 78 10.411 10.824 -6.254 1.00 14.23 C ATOM 1180 CG LEU A 78 9.365 11.769 -6.961 1.00 15.05 C ATOM 1181 CD1 LEU A 78 9.750 12.110 -8.414 1.00 34.43 C ATOM 1182 CD2 LEU A 78 7.942 11.189 -6.887 1.00 45.24 C ATOM 0 H LEU A 78 11.791 9.284 -4.965 1.00 44.24 H new ATOM 0 HA LEU A 78 9.317 8.938 -6.226 1.00 21.22 H new ATOM 0 HB2 LEU A 78 10.343 11.005 -5.181 1.00 14.23 H new ATOM 0 HB3 LEU A 78 11.405 11.143 -6.569 1.00 14.23 H new ATOM 0 HG LEU A 78 9.380 12.707 -6.406 1.00 15.05 H new ATOM 0 HD11 LEU A 78 8.992 12.763 -8.847 1.00 34.43 H new ATOM 0 HD12 LEU A 78 10.715 12.617 -8.425 1.00 34.43 H new ATOM 0 HD13 LEU A 78 9.815 11.192 -8.998 1.00 34.43 H new ATOM 0 HD21 LEU A 78 7.247 11.866 -7.384 1.00 45.24 H new ATOM 0 HD22 LEU A 78 7.919 10.218 -7.381 1.00 45.24 H new ATOM 0 HD23 LEU A 78 7.651 11.072 -5.843 1.00 45.24 H new ATOM 1194 N SER A 79 11.815 8.612 -8.319 1.00 25.13 N ATOM 1195 CA SER A 79 12.212 8.150 -9.655 1.00 0.45 C ATOM 1196 C SER A 79 11.489 6.844 -10.042 1.00 13.22 C ATOM 1197 O SER A 79 11.046 6.698 -11.179 1.00 11.33 O ATOM 1198 CB SER A 79 13.740 7.947 -9.700 1.00 20.11 C ATOM 1199 OG SER A 79 14.165 7.011 -8.718 1.00 63.51 O ATOM 0 H SER A 79 12.602 8.719 -7.679 1.00 25.13 H new ATOM 0 HA SER A 79 11.923 8.912 -10.378 1.00 0.45 H new ATOM 0 HB2 SER A 79 14.034 7.598 -10.690 1.00 20.11 H new ATOM 0 HB3 SER A 79 14.241 8.901 -9.537 1.00 20.11 H new ATOM 0 HG SER A 79 15.137 6.901 -8.770 1.00 63.51 H new ATOM 1205 N ASP A 80 11.356 5.921 -9.067 1.00 1.33 N ATOM 1206 CA ASP A 80 10.634 4.647 -9.252 1.00 30.24 C ATOM 1207 C ASP A 80 9.118 4.882 -9.431 1.00 73.44 C ATOM 1208 O ASP A 80 8.507 4.329 -10.340 1.00 53.41 O ATOM 1209 CB ASP A 80 10.857 3.711 -8.036 1.00 53.05 C ATOM 1210 CG ASP A 80 12.313 3.278 -7.841 1.00 53.20 C ATOM 1211 OD1 ASP A 80 13.060 3.963 -7.121 1.00 52.33 O ATOM 1212 OD2 ASP A 80 12.721 2.254 -8.417 1.00 10.01 O1- ATOM 0 H ASP A 80 11.746 6.038 -8.132 1.00 1.33 H new ATOM 0 HA ASP A 80 11.030 4.179 -10.153 1.00 30.24 H new ATOM 0 HB2 ASP A 80 10.516 4.218 -7.133 1.00 53.05 H new ATOM 0 HB3 ASP A 80 10.238 2.822 -8.156 1.00 53.05 H new ATOM 1217 N LEU A 81 8.532 5.709 -8.538 1.00 74.15 N ATOM 1218 CA LEU A 81 7.069 5.982 -8.512 1.00 5.11 C ATOM 1219 C LEU A 81 6.573 6.691 -9.784 1.00 21.15 C ATOM 1220 O LEU A 81 5.416 6.513 -10.182 1.00 13.13 O ATOM 1221 CB LEU A 81 6.672 6.798 -7.230 1.00 54.12 C ATOM 1222 CG LEU A 81 6.136 5.948 -6.036 1.00 51.30 C ATOM 1223 CD1 LEU A 81 5.916 6.808 -4.783 1.00 0.24 C ATOM 1224 CD2 LEU A 81 4.837 5.213 -6.436 1.00 3.20 C ATOM 0 H LEU A 81 9.053 6.207 -7.816 1.00 74.15 H new ATOM 0 HA LEU A 81 6.573 5.012 -8.478 1.00 5.11 H new ATOM 0 HB2 LEU A 81 7.544 7.359 -6.892 1.00 54.12 H new ATOM 0 HB3 LEU A 81 5.910 7.528 -7.506 1.00 54.12 H new ATOM 0 HG LEU A 81 6.894 5.204 -5.790 1.00 51.30 H new ATOM 0 HD11 LEU A 81 5.543 6.182 -3.973 1.00 0.24 H new ATOM 0 HD12 LEU A 81 6.860 7.264 -4.484 1.00 0.24 H new ATOM 0 HD13 LEU A 81 5.189 7.590 -5.002 1.00 0.24 H new ATOM 0 HD21 LEU A 81 4.477 4.625 -5.592 1.00 3.20 H new ATOM 0 HD22 LEU A 81 4.079 5.943 -6.720 1.00 3.20 H new ATOM 0 HD23 LEU A 81 5.038 4.552 -7.279 1.00 3.20 H new ATOM 1236 N PHE A 82 7.440 7.501 -10.404 1.00 24.12 N ATOM 1237 CA PHE A 82 7.083 8.231 -11.622 1.00 60.00 C ATOM 1238 C PHE A 82 7.360 7.367 -12.866 1.00 71.45 C ATOM 1239 O PHE A 82 6.533 7.308 -13.775 1.00 4.01 O ATOM 1240 CB PHE A 82 7.838 9.579 -11.697 1.00 43.43 C ATOM 1241 CG PHE A 82 7.298 10.492 -12.793 1.00 12.01 C ATOM 1242 CD1 PHE A 82 6.053 11.106 -12.639 1.00 13.30 C ATOM 1243 CD2 PHE A 82 8.004 10.715 -13.977 1.00 61.11 C ATOM 1244 CE1 PHE A 82 5.532 11.913 -13.630 1.00 43.04 C ATOM 1245 CE2 PHE A 82 7.484 11.527 -14.965 1.00 71.25 C ATOM 1246 CZ PHE A 82 6.248 12.124 -14.795 1.00 71.24 C ATOM 0 H PHE A 82 8.393 7.666 -10.081 1.00 24.12 H new ATOM 0 HA PHE A 82 6.016 8.451 -11.593 1.00 60.00 H new ATOM 0 HB2 PHE A 82 7.763 10.087 -10.736 1.00 43.43 H new ATOM 0 HB3 PHE A 82 8.896 9.389 -11.876 1.00 43.43 H new ATOM 0 HD1 PHE A 82 5.490 10.947 -11.731 1.00 13.30 H new ATOM 0 HD2 PHE A 82 8.967 10.247 -14.121 1.00 61.11 H new ATOM 0 HE1 PHE A 82 4.567 12.379 -13.496 1.00 43.04 H new ATOM 0 HE2 PHE A 82 8.044 11.696 -15.873 1.00 71.25 H new ATOM 0 HZ PHE A 82 5.842 12.755 -15.572 1.00 71.24 H new ATOM 1256 N ASN A 83 8.530 6.693 -12.892 1.00 71.43 N ATOM 1257 CA ASN A 83 8.919 5.786 -14.005 1.00 50.35 C ATOM 1258 C ASN A 83 8.006 4.542 -14.055 1.00 43.32 C ATOM 1259 O ASN A 83 7.883 3.895 -15.094 1.00 2.43 O ATOM 1260 CB ASN A 83 10.409 5.369 -13.872 1.00 25.24 C ATOM 1261 CG ASN A 83 10.950 4.556 -15.062 1.00 54.41 C ATOM 1262 OD1 ASN A 83 10.897 3.327 -15.076 1.00 3.24 O ATOM 1263 ND2 ASN A 83 11.471 5.234 -16.071 1.00 11.23 N ATOM 0 H ASN A 83 9.229 6.758 -12.152 1.00 71.43 H new ATOM 0 HA ASN A 83 8.794 6.329 -14.942 1.00 50.35 H new ATOM 0 HB2 ASN A 83 11.016 6.267 -13.755 1.00 25.24 H new ATOM 0 HB3 ASN A 83 10.530 4.782 -12.962 1.00 25.24 H new ATOM 0 HD21 ASN A 83 11.839 4.738 -16.883 1.00 11.23 H new ATOM 0 HD22 ASN A 83 11.504 6.253 -16.038 1.00 11.23 H new ATOM 1270 N HIS A 84 7.387 4.218 -12.903 1.00 15.15 N ATOM 1271 CA HIS A 84 6.453 3.091 -12.744 1.00 42.10 C ATOM 1272 C HIS A 84 5.226 3.587 -11.924 1.00 13.12 C ATOM 1273 O HIS A 84 5.173 3.378 -10.707 1.00 54.15 O ATOM 1274 CB HIS A 84 7.156 1.893 -12.030 1.00 72.20 C ATOM 1275 CG HIS A 84 8.477 1.460 -12.633 1.00 43.14 C ATOM 1276 ND1 HIS A 84 8.596 0.455 -13.569 1.00 55.03 N ATOM 1277 CD2 HIS A 84 9.741 1.906 -12.420 1.00 43.43 C ATOM 1278 CE1 HIS A 84 9.860 0.304 -13.900 1.00 31.22 C ATOM 1279 NE2 HIS A 84 10.577 1.171 -13.219 1.00 32.13 N ATOM 0 H HIS A 84 7.527 4.744 -12.041 1.00 15.15 H new ATOM 0 HA HIS A 84 6.122 2.738 -13.721 1.00 42.10 H new ATOM 0 HB2 HIS A 84 7.323 2.161 -10.987 1.00 72.20 H new ATOM 0 HB3 HIS A 84 6.477 1.040 -12.035 1.00 72.20 H new ATOM 0 HD2 HIS A 84 10.034 2.696 -11.744 1.00 43.43 H new ATOM 0 HE1 HIS A 84 10.244 -0.412 -14.612 1.00 31.22 H new ATOM 0 HE2 HIS A 84 11.590 1.279 -13.276 1.00 32.13 H new ATOM 1288 N PRO A 85 4.262 4.334 -12.574 1.00 12.11 N ATOM 1289 CA PRO A 85 3.057 4.898 -11.892 1.00 14.33 C ATOM 1290 C PRO A 85 2.165 3.825 -11.236 1.00 63.32 C ATOM 1291 O PRO A 85 1.698 4.013 -10.106 1.00 54.33 O ATOM 1292 CB PRO A 85 2.304 5.644 -13.033 1.00 72.15 C ATOM 1293 CG PRO A 85 2.860 5.075 -14.298 1.00 11.34 C ATOM 1294 CD PRO A 85 4.298 4.744 -13.999 1.00 63.43 C ATOM 0 HA PRO A 85 3.336 5.545 -11.060 1.00 14.33 H new ATOM 0 HB2 PRO A 85 1.228 5.483 -12.967 1.00 72.15 H new ATOM 0 HB3 PRO A 85 2.469 6.720 -12.978 1.00 72.15 H new ATOM 0 HG2 PRO A 85 2.309 4.185 -14.603 1.00 11.34 H new ATOM 0 HG3 PRO A 85 2.785 5.792 -15.116 1.00 11.34 H new ATOM 0 HD2 PRO A 85 4.668 3.943 -14.639 1.00 63.43 H new ATOM 0 HD3 PRO A 85 4.950 5.604 -14.154 1.00 63.43 H new ATOM 1302 N ARG A 86 1.933 2.702 -11.954 1.00 35.33 N ATOM 1303 CA ARG A 86 1.070 1.610 -11.457 1.00 52.33 C ATOM 1304 C ARG A 86 1.730 0.876 -10.267 1.00 60.22 C ATOM 1305 O ARG A 86 2.954 0.718 -10.233 1.00 45.42 O ATOM 1306 CB ARG A 86 0.707 0.596 -12.582 1.00 5.20 C ATOM 1307 CG ARG A 86 -0.298 1.112 -13.654 1.00 44.40 C ATOM 1308 CD ARG A 86 0.358 1.809 -14.861 1.00 74.33 C ATOM 1309 NE ARG A 86 1.172 0.861 -15.665 1.00 11.24 N ATOM 1310 CZ ARG A 86 2.513 0.857 -15.753 1.00 15.32 C ATOM 1311 NH1 ARG A 86 3.242 1.749 -15.097 1.00 11.03 N1+ ATOM 1312 NH2 ARG A 86 3.129 -0.059 -16.487 1.00 51.52 N ATOM 0 H ARG A 86 2.331 2.530 -12.877 1.00 35.33 H new ATOM 0 HA ARG A 86 0.144 2.071 -11.113 1.00 52.33 H new ATOM 0 HB2 ARG A 86 1.626 0.296 -13.086 1.00 5.20 H new ATOM 0 HB3 ARG A 86 0.290 -0.299 -12.119 1.00 5.20 H new ATOM 0 HG2 ARG A 86 -0.890 0.270 -14.014 1.00 44.40 H new ATOM 0 HG3 ARG A 86 -0.990 1.808 -13.180 1.00 44.40 H new ATOM 0 HD2 ARG A 86 -0.414 2.251 -15.491 1.00 74.33 H new ATOM 0 HD3 ARG A 86 0.990 2.626 -14.511 1.00 74.33 H new ATOM 0 HE ARG A 86 0.669 0.151 -16.197 1.00 11.24 H new ATOM 0 HH11 ARG A 86 2.786 2.452 -14.515 1.00 11.03 H new ATOM 0 HH12 ARG A 86 4.259 1.733 -15.174 1.00 11.03 H new ATOM 0 HH21 ARG A 86 2.585 -0.763 -16.986 1.00 51.52 H new ATOM 0 HH22 ARG A 86 4.147 -0.060 -16.552 1.00 51.52 H new ATOM 1326 N LEU A 87 0.883 0.404 -9.333 1.00 52.23 N ATOM 1327 CA LEU A 87 1.309 -0.190 -8.052 1.00 35.35 C ATOM 1328 C LEU A 87 2.205 -1.415 -8.266 1.00 4.43 C ATOM 1329 O LEU A 87 3.261 -1.517 -7.642 1.00 70.10 O ATOM 1330 CB LEU A 87 0.042 -0.546 -7.221 1.00 71.12 C ATOM 1331 CG LEU A 87 0.212 -0.877 -5.687 1.00 12.14 C ATOM 1332 CD1 LEU A 87 -1.140 -0.742 -4.960 1.00 51.01 C ATOM 1333 CD2 LEU A 87 0.801 -2.286 -5.425 1.00 40.12 C ATOM 0 H LEU A 87 -0.130 0.425 -9.449 1.00 52.23 H new ATOM 0 HA LEU A 87 1.910 0.535 -7.502 1.00 35.35 H new ATOM 0 HB2 LEU A 87 -0.654 0.289 -7.304 1.00 71.12 H new ATOM 0 HB3 LEU A 87 -0.433 -1.405 -7.694 1.00 71.12 H new ATOM 0 HG LEU A 87 0.927 -0.153 -5.296 1.00 12.14 H new ATOM 0 HD11 LEU A 87 -1.009 -0.973 -3.903 1.00 51.01 H new ATOM 0 HD12 LEU A 87 -1.510 0.278 -5.066 1.00 51.01 H new ATOM 0 HD13 LEU A 87 -1.859 -1.435 -5.397 1.00 51.01 H new ATOM 0 HD21 LEU A 87 0.891 -2.449 -4.351 1.00 40.12 H new ATOM 0 HD22 LEU A 87 0.141 -3.041 -5.852 1.00 40.12 H new ATOM 0 HD23 LEU A 87 1.785 -2.361 -5.887 1.00 40.12 H new ATOM 1345 N ALA A 88 1.783 -2.324 -9.162 1.00 11.20 N ATOM 1346 CA ALA A 88 2.474 -3.615 -9.358 1.00 54.51 C ATOM 1347 C ALA A 88 3.764 -3.431 -10.153 1.00 72.31 C ATOM 1348 O ALA A 88 4.714 -4.184 -9.972 1.00 71.01 O ATOM 1349 CB ALA A 88 1.561 -4.623 -10.056 1.00 4.35 C ATOM 0 H ALA A 88 0.969 -2.191 -9.762 1.00 11.20 H new ATOM 0 HA ALA A 88 2.730 -4.006 -8.373 1.00 54.51 H new ATOM 0 HB1 ALA A 88 2.093 -5.565 -10.189 1.00 4.35 H new ATOM 0 HB2 ALA A 88 0.672 -4.791 -9.448 1.00 4.35 H new ATOM 0 HB3 ALA A 88 1.266 -4.233 -11.030 1.00 4.35 H new ATOM 1355 N ASP A 89 3.775 -2.422 -11.037 1.00 21.05 N ATOM 1356 CA ASP A 89 4.958 -2.086 -11.849 1.00 73.42 C ATOM 1357 C ASP A 89 6.042 -1.437 -10.961 1.00 74.44 C ATOM 1358 O ASP A 89 7.251 -1.630 -11.168 1.00 30.21 O ATOM 1359 CB ASP A 89 4.543 -1.153 -13.024 1.00 52.41 C ATOM 1360 CG ASP A 89 5.656 -0.900 -14.064 1.00 34.03 C ATOM 1361 OD1 ASP A 89 5.702 0.197 -14.663 1.00 34.35 O ATOM 1362 OD2 ASP A 89 6.501 -1.789 -14.292 1.00 52.34 O1- ATOM 0 H ASP A 89 2.971 -1.819 -11.210 1.00 21.05 H new ATOM 0 HA ASP A 89 5.380 -2.996 -12.276 1.00 73.42 H new ATOM 0 HB2 ASP A 89 3.682 -1.589 -13.531 1.00 52.41 H new ATOM 0 HB3 ASP A 89 4.221 -0.195 -12.615 1.00 52.41 H new ATOM 1367 N PHE A 90 5.574 -0.675 -9.958 1.00 40.31 N ATOM 1368 CA PHE A 90 6.416 -0.076 -8.906 1.00 64.41 C ATOM 1369 C PHE A 90 6.908 -1.168 -7.934 1.00 55.44 C ATOM 1370 O PHE A 90 8.071 -1.172 -7.531 1.00 71.35 O ATOM 1371 CB PHE A 90 5.604 1.024 -8.162 1.00 13.53 C ATOM 1372 CG PHE A 90 6.294 1.641 -6.946 1.00 70.33 C ATOM 1373 CD1 PHE A 90 7.508 2.318 -7.073 1.00 34.25 C ATOM 1374 CD2 PHE A 90 5.725 1.548 -5.673 1.00 61.20 C ATOM 1375 CE1 PHE A 90 8.126 2.875 -5.966 1.00 71.14 C ATOM 1376 CE2 PHE A 90 6.346 2.106 -4.574 1.00 55.13 C ATOM 1377 CZ PHE A 90 7.547 2.768 -4.722 1.00 2.52 C ATOM 0 H PHE A 90 4.584 -0.454 -9.853 1.00 40.31 H new ATOM 0 HA PHE A 90 7.295 0.387 -9.354 1.00 64.41 H new ATOM 0 HB2 PHE A 90 5.372 1.820 -8.869 1.00 13.53 H new ATOM 0 HB3 PHE A 90 4.655 0.596 -7.841 1.00 13.53 H new ATOM 0 HD1 PHE A 90 7.970 2.408 -8.045 1.00 34.25 H new ATOM 0 HD2 PHE A 90 4.785 1.032 -5.547 1.00 61.20 H new ATOM 0 HE1 PHE A 90 9.066 3.395 -6.079 1.00 71.14 H new ATOM 0 HE2 PHE A 90 5.891 2.024 -3.598 1.00 55.13 H new ATOM 0 HZ PHE A 90 8.033 3.203 -3.861 1.00 2.52 H new ATOM 1387 N ALA A 91 6.017 -2.112 -7.604 1.00 44.42 N ATOM 1388 CA ALA A 91 6.318 -3.238 -6.701 1.00 12.33 C ATOM 1389 C ALA A 91 7.315 -4.211 -7.357 1.00 0.10 C ATOM 1390 O ALA A 91 8.084 -4.894 -6.673 1.00 73.13 O ATOM 1391 CB ALA A 91 5.011 -3.957 -6.320 1.00 43.22 C ATOM 0 H ALA A 91 5.060 -2.119 -7.957 1.00 44.42 H new ATOM 0 HA ALA A 91 6.783 -2.853 -5.793 1.00 12.33 H new ATOM 0 HB1 ALA A 91 5.235 -4.789 -5.653 1.00 43.22 H new ATOM 0 HB2 ALA A 91 4.344 -3.257 -5.816 1.00 43.22 H new ATOM 0 HB3 ALA A 91 4.527 -4.335 -7.221 1.00 43.22 H new ATOM 1397 N ALA A 92 7.283 -4.247 -8.700 1.00 44.44 N ATOM 1398 CA ALA A 92 8.177 -5.080 -9.520 1.00 0.22 C ATOM 1399 C ALA A 92 9.614 -4.535 -9.530 1.00 24.23 C ATOM 1400 O ALA A 92 10.581 -5.310 -9.578 1.00 22.24 O ATOM 1401 CB ALA A 92 7.630 -5.159 -10.952 1.00 12.21 C ATOM 0 H ALA A 92 6.629 -3.692 -9.252 1.00 44.44 H new ATOM 0 HA ALA A 92 8.210 -6.077 -9.081 1.00 0.22 H new ATOM 0 HB1 ALA A 92 8.291 -5.776 -11.561 1.00 12.21 H new ATOM 0 HB2 ALA A 92 6.634 -5.601 -10.937 1.00 12.21 H new ATOM 0 HB3 ALA A 92 7.576 -4.157 -11.377 1.00 12.21 H new ATOM 1407 N THR A 93 9.744 -3.191 -9.506 1.00 0.21 N ATOM 1408 CA THR A 93 11.053 -2.512 -9.614 1.00 51.10 C ATOM 1409 C THR A 93 11.726 -2.320 -8.236 1.00 21.53 C ATOM 1410 O THR A 93 12.879 -1.874 -8.173 1.00 35.52 O ATOM 1411 CB THR A 93 10.921 -1.132 -10.358 1.00 63.43 C ATOM 1412 OG1 THR A 93 12.213 -0.646 -10.782 1.00 62.22 O ATOM 1413 CG2 THR A 93 10.250 -0.054 -9.497 1.00 1.34 C ATOM 0 H THR A 93 8.954 -2.552 -9.412 1.00 0.21 H new ATOM 0 HA THR A 93 11.695 -3.164 -10.206 1.00 51.10 H new ATOM 0 HB THR A 93 10.288 -1.322 -11.225 1.00 63.43 H new ATOM 0 HG1 THR A 93 12.889 -0.891 -10.116 1.00 62.22 H new ATOM 0 HG21 THR A 93 10.186 0.876 -10.062 1.00 1.34 H new ATOM 0 HG22 THR A 93 9.247 -0.380 -9.221 1.00 1.34 H new ATOM 0 HG23 THR A 93 10.839 0.110 -8.595 1.00 1.34 H new ATOM 1421 N LEU A 94 11.009 -2.646 -7.138 1.00 22.25 N ATOM 1422 CA LEU A 94 11.560 -2.514 -5.772 1.00 5.30 C ATOM 1423 C LEU A 94 12.715 -3.501 -5.539 1.00 63.41 C ATOM 1424 O LEU A 94 12.557 -4.715 -5.682 1.00 51.23 O ATOM 1425 CB LEU A 94 10.465 -2.694 -4.683 1.00 35.43 C ATOM 1426 CG LEU A 94 9.376 -1.581 -4.623 1.00 1.41 C ATOM 1427 CD1 LEU A 94 8.450 -1.775 -3.411 1.00 10.34 C ATOM 1428 CD2 LEU A 94 10.005 -0.173 -4.630 1.00 72.11 C ATOM 0 H LEU A 94 10.053 -3.000 -7.171 1.00 22.25 H new ATOM 0 HA LEU A 94 11.950 -1.500 -5.686 1.00 5.30 H new ATOM 0 HB2 LEU A 94 9.970 -3.651 -4.847 1.00 35.43 H new ATOM 0 HB3 LEU A 94 10.953 -2.751 -3.710 1.00 35.43 H new ATOM 0 HG LEU A 94 8.767 -1.669 -5.523 1.00 1.41 H new ATOM 0 HD11 LEU A 94 7.701 -0.984 -3.395 1.00 10.34 H new ATOM 0 HD12 LEU A 94 7.954 -2.743 -3.483 1.00 10.34 H new ATOM 0 HD13 LEU A 94 9.038 -1.736 -2.494 1.00 10.34 H new ATOM 0 HD21 LEU A 94 9.216 0.578 -4.587 1.00 72.11 H new ATOM 0 HD22 LEU A 94 10.659 -0.062 -3.765 1.00 72.11 H new ATOM 0 HD23 LEU A 94 10.585 -0.038 -5.543 1.00 72.11 H new ATOM 1440 N ARG A 95 13.878 -2.944 -5.199 1.00 33.33 N ATOM 1441 CA ARG A 95 15.090 -3.703 -4.873 1.00 42.55 C ATOM 1442 C ARG A 95 15.185 -3.841 -3.345 1.00 0.13 C ATOM 1443 O ARG A 95 15.038 -2.845 -2.632 1.00 74.40 O ATOM 1444 CB ARG A 95 16.316 -2.944 -5.441 1.00 11.44 C ATOM 1445 CG ARG A 95 16.245 -2.694 -6.974 1.00 3.42 C ATOM 1446 CD ARG A 95 16.975 -1.407 -7.400 1.00 31.42 C ATOM 1447 NE ARG A 95 16.397 -0.205 -6.754 1.00 14.40 N ATOM 1448 CZ ARG A 95 15.368 0.522 -7.232 1.00 34.01 C ATOM 1449 NH1 ARG A 95 14.780 0.212 -8.385 1.00 45.31 N1+ ATOM 1450 NH2 ARG A 95 14.916 1.555 -6.538 1.00 30.53 N ATOM 0 H ARG A 95 14.008 -1.934 -5.141 1.00 33.33 H new ATOM 0 HA ARG A 95 15.061 -4.700 -5.313 1.00 42.55 H new ATOM 0 HB2 ARG A 95 16.407 -1.986 -4.930 1.00 11.44 H new ATOM 0 HB3 ARG A 95 17.219 -3.512 -5.216 1.00 11.44 H new ATOM 0 HG2 ARG A 95 16.681 -3.545 -7.497 1.00 3.42 H new ATOM 0 HG3 ARG A 95 15.201 -2.633 -7.280 1.00 3.42 H new ATOM 0 HD2 ARG A 95 18.031 -1.486 -7.141 1.00 31.42 H new ATOM 0 HD3 ARG A 95 16.919 -1.299 -8.483 1.00 31.42 H new ATOM 0 HE ARG A 95 16.813 0.098 -5.873 1.00 14.40 H new ATOM 0 HH11 ARG A 95 15.107 -0.589 -8.925 1.00 45.31 H new ATOM 0 HH12 ARG A 95 14.002 0.776 -8.729 1.00 45.31 H new ATOM 0 HH21 ARG A 95 15.346 1.798 -5.646 1.00 30.53 H new ATOM 0 HH22 ARG A 95 14.137 2.108 -6.896 1.00 30.53 H new ATOM 1464 N LYS A 96 15.400 -5.067 -2.844 1.00 73.11 N ATOM 1465 CA LYS A 96 15.529 -5.311 -1.401 1.00 72.24 C ATOM 1466 C LYS A 96 16.895 -4.816 -0.901 1.00 33.53 C ATOM 1467 O LYS A 96 17.944 -5.290 -1.355 1.00 35.13 O ATOM 1468 CB LYS A 96 15.313 -6.813 -1.059 1.00 3.24 C ATOM 1469 CG LYS A 96 13.859 -7.289 -1.276 1.00 43.30 C ATOM 1470 CD LYS A 96 13.580 -8.679 -0.657 1.00 3.25 C ATOM 1471 CE LYS A 96 12.084 -9.046 -0.686 1.00 62.43 C ATOM 1472 NZ LYS A 96 11.807 -10.317 0.039 1.00 22.24 N1+ ATOM 0 H LYS A 96 15.488 -5.905 -3.419 1.00 73.11 H new ATOM 0 HA LYS A 96 14.749 -4.749 -0.887 1.00 72.24 H new ATOM 0 HB2 LYS A 96 15.981 -7.417 -1.673 1.00 3.24 H new ATOM 0 HB3 LYS A 96 15.593 -6.985 -0.020 1.00 3.24 H new ATOM 0 HG2 LYS A 96 13.175 -6.560 -0.842 1.00 43.30 H new ATOM 0 HG3 LYS A 96 13.650 -7.325 -2.345 1.00 43.30 H new ATOM 0 HD2 LYS A 96 14.147 -9.436 -1.199 1.00 3.25 H new ATOM 0 HD3 LYS A 96 13.935 -8.692 0.374 1.00 3.25 H new ATOM 0 HE2 LYS A 96 11.504 -8.239 -0.238 1.00 62.43 H new ATOM 0 HE3 LYS A 96 11.754 -9.139 -1.721 1.00 62.43 H new ATOM 0 HZ1 LYS A 96 10.789 -10.527 -0.005 1.00 22.24 H new ATOM 0 HZ2 LYS A 96 12.340 -11.093 -0.404 1.00 22.24 H new ATOM 0 HZ3 LYS A 96 12.098 -10.220 1.033 1.00 22.24 H new ATOM 1486 N THR A 97 16.853 -3.832 0.005 1.00 64.33 N ATOM 1487 CA THR A 97 18.035 -3.249 0.634 1.00 24.42 C ATOM 1488 C THR A 97 18.643 -4.230 1.650 1.00 43.32 C ATOM 1489 O THR A 97 17.928 -4.803 2.485 1.00 4.33 O ATOM 1490 CB THR A 97 17.668 -1.903 1.343 1.00 24.15 C ATOM 1491 OG1 THR A 97 17.006 -1.047 0.406 1.00 55.25 O ATOM 1492 CG2 THR A 97 18.898 -1.169 1.905 1.00 60.14 C ATOM 0 H THR A 97 15.979 -3.414 0.324 1.00 64.33 H new ATOM 0 HA THR A 97 18.773 -3.048 -0.143 1.00 24.42 H new ATOM 0 HB THR A 97 17.020 -2.147 2.185 1.00 24.15 H new ATOM 0 HG1 THR A 97 16.771 -0.202 0.844 1.00 55.25 H new ATOM 0 HG21 THR A 97 18.581 -0.243 2.385 1.00 60.14 H new ATOM 0 HG22 THR A 97 19.398 -1.804 2.636 1.00 60.14 H new ATOM 0 HG23 THR A 97 19.587 -0.939 1.092 1.00 60.14 H new ATOM 1500 N ASP A 98 19.963 -4.436 1.540 1.00 13.43 N ATOM 1501 CA ASP A 98 20.745 -5.207 2.509 1.00 60.15 C ATOM 1502 C ASP A 98 20.767 -4.424 3.839 1.00 31.32 C ATOM 1503 O ASP A 98 21.467 -3.411 3.960 1.00 53.53 O ATOM 1504 CB ASP A 98 22.169 -5.422 1.933 1.00 74.25 C ATOM 1505 CG ASP A 98 23.089 -6.281 2.816 1.00 50.34 C ATOM 1506 OD1 ASP A 98 23.891 -5.715 3.594 1.00 10.20 O ATOM 1507 OD2 ASP A 98 23.040 -7.525 2.713 1.00 61.42 O1- ATOM 0 H ASP A 98 20.520 -4.068 0.769 1.00 13.43 H new ATOM 0 HA ASP A 98 20.308 -6.188 2.697 1.00 60.15 H new ATOM 0 HB2 ASP A 98 22.084 -5.892 0.953 1.00 74.25 H new ATOM 0 HB3 ASP A 98 22.637 -4.449 1.781 1.00 74.25 H new ATOM 1512 N VAL A 99 19.956 -4.883 4.804 1.00 31.13 N ATOM 1513 CA VAL A 99 19.676 -4.139 6.054 1.00 65.52 C ATOM 1514 C VAL A 99 20.875 -4.187 7.044 1.00 12.14 C ATOM 1515 O VAL A 99 21.666 -5.133 6.982 1.00 4.43 O ATOM 1516 CB VAL A 99 18.349 -4.667 6.733 1.00 33.23 C ATOM 1517 CG1 VAL A 99 17.113 -4.377 5.845 1.00 25.02 C ATOM 1518 CG2 VAL A 99 18.448 -6.168 7.077 1.00 3.55 C ATOM 0 H VAL A 99 19.473 -5.780 4.745 1.00 31.13 H new ATOM 0 HA VAL A 99 19.530 -3.093 5.786 1.00 65.52 H new ATOM 0 HB VAL A 99 18.222 -4.124 7.670 1.00 33.23 H new ATOM 0 HG11 VAL A 99 16.215 -4.751 6.337 1.00 25.02 H new ATOM 0 HG12 VAL A 99 17.021 -3.302 5.690 1.00 25.02 H new ATOM 0 HG13 VAL A 99 17.232 -4.873 4.882 1.00 25.02 H new ATOM 0 HG21 VAL A 99 17.519 -6.497 7.542 1.00 3.55 H new ATOM 0 HG22 VAL A 99 18.619 -6.740 6.165 1.00 3.55 H new ATOM 0 HG23 VAL A 99 19.276 -6.329 7.767 1.00 3.55 H new ATOM 1528 N PRO A 100 21.027 -3.146 7.956 1.00 61.44 N ATOM 1529 CA PRO A 100 22.158 -3.032 8.932 1.00 24.42 C ATOM 1530 C PRO A 100 22.551 -4.336 9.645 1.00 63.12 C ATOM 1531 O PRO A 100 23.742 -4.592 9.860 1.00 61.40 O ATOM 1532 CB PRO A 100 21.632 -2.000 9.946 1.00 52.44 C ATOM 1533 CG PRO A 100 20.789 -1.081 9.121 1.00 22.32 C ATOM 1534 CD PRO A 100 20.120 -1.960 8.076 1.00 64.13 C ATOM 0 HA PRO A 100 23.078 -2.754 8.417 1.00 24.42 H new ATOM 0 HB2 PRO A 100 21.049 -2.476 10.735 1.00 52.44 H new ATOM 0 HB3 PRO A 100 22.448 -1.465 10.431 1.00 52.44 H new ATOM 0 HG2 PRO A 100 20.047 -0.572 9.737 1.00 22.32 H new ATOM 0 HG3 PRO A 100 21.397 -0.308 8.651 1.00 22.32 H new ATOM 0 HD2 PRO A 100 19.118 -2.255 8.387 1.00 64.13 H new ATOM 0 HD3 PRO A 100 20.018 -1.439 7.124 1.00 64.13 H new ATOM 1542 N VAL A 101 21.549 -5.145 10.036 1.00 43.40 N ATOM 1543 CA VAL A 101 21.802 -6.479 10.610 1.00 43.03 C ATOM 1544 C VAL A 101 22.348 -7.419 9.505 1.00 52.41 C ATOM 1545 O VAL A 101 21.602 -7.916 8.651 1.00 22.31 O ATOM 1546 CB VAL A 101 20.540 -7.057 11.369 1.00 54.54 C ATOM 1547 CG1 VAL A 101 19.249 -6.991 10.522 1.00 63.41 C ATOM 1548 CG2 VAL A 101 20.801 -8.488 11.901 1.00 52.22 C ATOM 0 H VAL A 101 20.561 -4.900 9.965 1.00 43.40 H new ATOM 0 HA VAL A 101 22.567 -6.396 11.382 1.00 43.03 H new ATOM 0 HB VAL A 101 20.375 -6.408 12.229 1.00 54.54 H new ATOM 0 HG11 VAL A 101 18.417 -7.401 11.094 1.00 63.41 H new ATOM 0 HG12 VAL A 101 19.036 -5.954 10.264 1.00 63.41 H new ATOM 0 HG13 VAL A 101 19.383 -7.572 9.609 1.00 63.41 H new ATOM 0 HG21 VAL A 101 19.912 -8.852 12.416 1.00 52.22 H new ATOM 0 HG22 VAL A 101 21.033 -9.150 11.067 1.00 52.22 H new ATOM 0 HG23 VAL A 101 21.641 -8.471 12.595 1.00 52.22 H new ATOM 1558 N GLU A 102 23.692 -7.583 9.524 1.00 11.53 N ATOM 1559 CA GLU A 102 24.479 -8.250 8.470 1.00 45.20 C ATOM 1560 C GLU A 102 24.061 -9.719 8.268 1.00 0.15 C ATOM 1561 O GLU A 102 23.599 -10.381 9.208 1.00 32.53 O ATOM 1562 CB GLU A 102 25.998 -8.144 8.798 1.00 64.02 C ATOM 1563 CG GLU A 102 26.940 -8.689 7.703 1.00 2.13 C ATOM 1564 CD GLU A 102 28.426 -8.525 8.034 1.00 15.11 C ATOM 1565 OE1 GLU A 102 29.056 -7.563 7.539 1.00 31.11 O ATOM 1566 OE2 GLU A 102 28.969 -9.360 8.791 1.00 51.53 O1- ATOM 0 H GLU A 102 24.270 -7.245 10.294 1.00 11.53 H new ATOM 0 HA GLU A 102 24.277 -7.737 7.530 1.00 45.20 H new ATOM 0 HB2 GLU A 102 26.243 -7.098 8.980 1.00 64.02 H new ATOM 0 HB3 GLU A 102 26.193 -8.683 9.725 1.00 64.02 H new ATOM 0 HG2 GLU A 102 26.726 -9.746 7.545 1.00 2.13 H new ATOM 0 HG3 GLU A 102 26.727 -8.177 6.765 1.00 2.13 H new ATOM 1573 N GLN A 103 24.239 -10.198 7.017 1.00 32.15 N ATOM 1574 CA GLN A 103 23.827 -11.534 6.561 1.00 22.24 C ATOM 1575 C GLN A 103 22.277 -11.684 6.613 1.00 63.24 C ATOM 1576 O GLN A 103 21.763 -12.661 7.179 1.00 25.43 O ATOM 1577 CB GLN A 103 24.594 -12.640 7.373 1.00 41.13 C ATOM 1578 CG GLN A 103 26.134 -12.491 7.316 1.00 14.23 C ATOM 1579 CD GLN A 103 26.896 -13.364 8.306 1.00 71.11 C ATOM 1580 OE1 GLN A 103 27.271 -14.496 8.002 1.00 23.31 O ATOM 1581 NE2 GLN A 103 27.100 -12.853 9.513 1.00 12.10 N ATOM 0 H GLN A 103 24.685 -9.649 6.282 1.00 32.15 H new ATOM 0 HA GLN A 103 24.103 -11.666 5.515 1.00 22.24 H new ATOM 0 HB2 GLN A 103 24.272 -12.605 8.414 1.00 41.13 H new ATOM 0 HB3 GLN A 103 24.317 -13.621 6.987 1.00 41.13 H new ATOM 0 HG2 GLN A 103 26.471 -12.730 6.307 1.00 14.23 H new ATOM 0 HG3 GLN A 103 26.391 -11.448 7.499 1.00 14.23 H new ATOM 0 HE21 GLN A 103 26.775 -11.911 9.729 1.00 12.10 H new ATOM 0 HE22 GLN A 103 27.582 -13.402 10.225 1.00 12.10 H new ATOM 1590 N PRO A 104 21.494 -10.728 5.979 1.00 23.33 N ATOM 1591 CA PRO A 104 20.005 -10.700 6.074 1.00 33.15 C ATOM 1592 C PRO A 104 19.364 -11.907 5.356 1.00 52.23 C ATOM 1593 O PRO A 104 18.439 -12.545 5.872 1.00 40.25 O ATOM 1594 CB PRO A 104 19.612 -9.350 5.387 1.00 1.23 C ATOM 1595 CG PRO A 104 20.894 -8.580 5.270 1.00 74.21 C ATOM 1596 CD PRO A 104 21.967 -9.626 5.091 1.00 64.31 C ATOM 0 HA PRO A 104 19.652 -10.766 7.103 1.00 33.15 H new ATOM 0 HB2 PRO A 104 19.165 -9.522 4.408 1.00 1.23 H new ATOM 0 HB3 PRO A 104 18.878 -8.805 5.981 1.00 1.23 H new ATOM 0 HG2 PRO A 104 20.866 -7.895 4.423 1.00 74.21 H new ATOM 0 HG3 PRO A 104 21.075 -7.978 6.161 1.00 74.21 H new ATOM 0 HD2 PRO A 104 22.050 -9.948 4.053 1.00 64.31 H new ATOM 0 HD3 PRO A 104 22.948 -9.257 5.390 1.00 64.31 H new ATOM 1604 N PHE A 105 19.897 -12.199 4.162 1.00 72.35 N ATOM 1605 CA PHE A 105 19.494 -13.340 3.317 1.00 11.24 C ATOM 1606 C PHE A 105 20.660 -14.343 3.210 1.00 14.14 C ATOM 1607 O PHE A 105 20.745 -15.106 2.239 1.00 74.34 O ATOM 1608 CB PHE A 105 19.044 -12.806 1.920 1.00 11.11 C ATOM 1609 CG PHE A 105 20.055 -11.914 1.181 1.00 44.11 C ATOM 1610 CD1 PHE A 105 20.098 -10.531 1.403 1.00 41.32 C ATOM 1611 CD2 PHE A 105 20.947 -12.454 0.249 1.00 44.30 C ATOM 1612 CE1 PHE A 105 20.998 -9.728 0.722 1.00 23.02 C ATOM 1613 CE2 PHE A 105 21.844 -11.648 -0.427 1.00 34.45 C ATOM 1614 CZ PHE A 105 21.869 -10.289 -0.192 1.00 62.41 C ATOM 0 H PHE A 105 20.638 -11.637 3.744 1.00 72.35 H new ATOM 0 HA PHE A 105 18.651 -13.868 3.762 1.00 11.24 H new ATOM 0 HB2 PHE A 105 18.811 -13.660 1.285 1.00 11.11 H new ATOM 0 HB3 PHE A 105 18.119 -12.243 2.049 1.00 11.11 H new ATOM 0 HD1 PHE A 105 19.420 -10.085 2.115 1.00 41.32 H new ATOM 0 HD2 PHE A 105 20.935 -13.516 0.055 1.00 44.30 H new ATOM 0 HE1 PHE A 105 21.019 -8.664 0.905 1.00 23.02 H new ATOM 0 HE2 PHE A 105 22.527 -12.084 -1.141 1.00 34.45 H new ATOM 0 HZ PHE A 105 22.570 -9.663 -0.723 1.00 62.41 H new ATOM 1624 N VAL A 106 21.497 -14.370 4.277 1.00 54.03 N ATOM 1625 CA VAL A 106 22.804 -15.056 4.318 1.00 35.31 C ATOM 1626 C VAL A 106 23.783 -14.388 3.332 1.00 54.03 C ATOM 1627 O VAL A 106 23.668 -14.579 2.112 1.00 61.12 O ATOM 1628 CB VAL A 106 22.739 -16.619 4.043 1.00 45.34 C ATOM 1629 CG1 VAL A 106 24.139 -17.279 4.175 1.00 53.25 C ATOM 1630 CG2 VAL A 106 21.713 -17.312 4.968 1.00 22.40 C ATOM 0 H VAL A 106 21.271 -13.901 5.154 1.00 54.03 H new ATOM 0 HA VAL A 106 23.159 -14.951 5.343 1.00 35.31 H new ATOM 0 HB VAL A 106 22.405 -16.752 3.014 1.00 45.34 H new ATOM 0 HG11 VAL A 106 24.057 -18.348 3.980 1.00 53.25 H new ATOM 0 HG12 VAL A 106 24.822 -16.830 3.454 1.00 53.25 H new ATOM 0 HG13 VAL A 106 24.522 -17.122 5.184 1.00 53.25 H new ATOM 0 HG21 VAL A 106 21.694 -18.381 4.754 1.00 22.40 H new ATOM 0 HG22 VAL A 106 21.997 -17.156 6.009 1.00 22.40 H new ATOM 0 HG23 VAL A 106 20.723 -16.889 4.795 1.00 22.40 H new ATOM 1640 N HIS A 107 24.719 -13.571 3.856 1.00 71.30 N ATOM 1641 CA HIS A 107 25.819 -13.029 3.057 1.00 75.43 C ATOM 1642 C HIS A 107 26.811 -14.167 2.796 1.00 23.22 C ATOM 1643 O HIS A 107 27.593 -14.538 3.681 1.00 74.11 O ATOM 1644 CB HIS A 107 26.520 -11.830 3.749 1.00 53.13 C ATOM 1645 CG HIS A 107 27.613 -11.180 2.918 1.00 0.43 C ATOM 1646 ND1 HIS A 107 27.418 -10.028 2.181 1.00 44.43 N ATOM 1647 CD2 HIS A 107 28.907 -11.534 2.704 1.00 12.51 C ATOM 1648 CE1 HIS A 107 28.536 -9.714 1.551 1.00 64.43 C ATOM 1649 NE2 HIS A 107 29.448 -10.608 1.856 1.00 61.24 N ATOM 0 H HIS A 107 24.728 -13.276 4.832 1.00 71.30 H new ATOM 0 HA HIS A 107 25.422 -12.640 2.119 1.00 75.43 H new ATOM 0 HB2 HIS A 107 25.770 -11.078 3.994 1.00 53.13 H new ATOM 0 HB3 HIS A 107 26.950 -12.170 4.691 1.00 53.13 H new ATOM 0 HD2 HIS A 107 29.415 -12.389 3.126 1.00 12.51 H new ATOM 0 HE1 HIS A 107 28.676 -8.866 0.897 1.00 64.43 H new ATOM 0 HE2 HIS A 107 30.409 -10.611 1.514 1.00 61.24 H new ATOM 1658 N SER A 108 26.716 -14.742 1.598 1.00 55.24 N ATOM 1659 CA SER A 108 27.625 -15.782 1.129 1.00 41.30 C ATOM 1660 C SER A 108 29.053 -15.205 0.952 1.00 52.03 C ATOM 1661 O SER A 108 29.195 -14.005 0.676 1.00 21.02 O ATOM 1662 CB SER A 108 27.099 -16.327 -0.215 1.00 75.31 C ATOM 1663 OG SER A 108 25.725 -16.681 -0.119 1.00 21.43 O ATOM 0 H SER A 108 25.996 -14.494 0.919 1.00 55.24 H new ATOM 0 HA SER A 108 27.672 -16.589 1.861 1.00 41.30 H new ATOM 0 HB2 SER A 108 27.231 -15.575 -0.993 1.00 75.31 H new ATOM 0 HB3 SER A 108 27.683 -17.198 -0.512 1.00 75.31 H new ATOM 0 HG SER A 108 25.414 -17.022 -0.983 1.00 21.43 H new ATOM 1669 N PRO A 109 30.136 -16.023 1.146 1.00 35.34 N ATOM 1670 CA PRO A 109 31.502 -15.618 0.740 1.00 4.21 C ATOM 1671 C PRO A 109 31.505 -15.283 -0.766 1.00 5.14 C ATOM 1672 O PRO A 109 31.103 -16.126 -1.584 1.00 74.14 O ATOM 1673 CB PRO A 109 32.376 -16.864 1.085 1.00 31.10 C ATOM 1674 CG PRO A 109 31.401 -17.997 1.241 1.00 53.10 C ATOM 1675 CD PRO A 109 30.137 -17.368 1.787 1.00 43.02 C ATOM 0 HA PRO A 109 31.878 -14.726 1.242 1.00 4.21 H new ATOM 0 HB2 PRO A 109 33.097 -17.071 0.294 1.00 31.10 H new ATOM 0 HB3 PRO A 109 32.945 -16.705 2.001 1.00 31.10 H new ATOM 0 HG2 PRO A 109 31.214 -18.489 0.286 1.00 53.10 H new ATOM 0 HG3 PRO A 109 31.787 -18.757 1.921 1.00 53.10 H new ATOM 0 HD2 PRO A 109 29.251 -17.944 1.521 1.00 43.02 H new ATOM 0 HD3 PRO A 109 30.157 -17.298 2.875 1.00 43.02 H new ATOM 1683 N GLU A 110 31.873 -14.027 -1.097 1.00 13.45 N ATOM 1684 CA GLU A 110 31.821 -13.500 -2.477 1.00 14.30 C ATOM 1685 C GLU A 110 32.612 -14.392 -3.455 1.00 2.24 C ATOM 1686 O GLU A 110 32.090 -14.776 -4.502 1.00 73.22 O ATOM 1687 CB GLU A 110 32.352 -12.040 -2.539 1.00 61.53 C ATOM 1688 CG GLU A 110 31.532 -11.024 -1.720 1.00 65.11 C ATOM 1689 CD GLU A 110 32.040 -9.575 -1.861 1.00 60.31 C ATOM 1690 OE1 GLU A 110 32.659 -9.044 -0.916 1.00 24.30 O ATOM 1691 OE2 GLU A 110 31.827 -8.960 -2.928 1.00 51.14 O1- ATOM 0 H GLU A 110 32.215 -13.350 -0.415 1.00 13.45 H new ATOM 0 HA GLU A 110 30.775 -13.505 -2.782 1.00 14.30 H new ATOM 0 HB2 GLU A 110 33.382 -12.027 -2.183 1.00 61.53 H new ATOM 0 HB3 GLU A 110 32.370 -11.718 -3.580 1.00 61.53 H new ATOM 0 HG2 GLU A 110 30.490 -11.069 -2.037 1.00 65.11 H new ATOM 0 HG3 GLU A 110 31.558 -11.310 -0.669 1.00 65.11 H new ATOM 1698 N ASP A 111 33.867 -14.693 -3.082 1.00 32.44 N ATOM 1699 CA ASP A 111 34.758 -15.607 -3.820 1.00 40.33 C ATOM 1700 C ASP A 111 36.009 -15.904 -2.957 1.00 55.42 C ATOM 1701 O ASP A 111 36.356 -17.092 -2.778 1.00 60.45 O ATOM 1702 CB ASP A 111 35.150 -15.061 -5.234 1.00 70.11 C ATOM 1703 CG ASP A 111 35.857 -13.691 -5.225 1.00 23.11 C ATOM 1704 OD1 ASP A 111 35.175 -12.660 -5.005 1.00 74.13 O ATOM 1705 OD2 ASP A 111 37.083 -13.629 -5.448 1.00 3.50 O1- ATOM 1706 OXT ASP A 111 36.599 -14.950 -2.397 1.00 37.89 O1- ATOM 0 H ASP A 111 34.299 -14.302 -2.245 1.00 32.44 H new ATOM 0 HA ASP A 111 34.216 -16.535 -4.005 1.00 40.33 H new ATOM 0 HB2 ASP A 111 35.801 -15.787 -5.721 1.00 70.11 H new ATOM 0 HB3 ASP A 111 34.248 -14.985 -5.841 1.00 70.11 H new TER 1711 ASP A 111