USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 723 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 HIS : no HE2:sc= 0.834 K(o=0.9,f=-2.5!) USER MOD Set 1.2: A 87 SER OG : rot 180:sc= 0.064 USER MOD Set 2.1: A 62 ASN : amide:sc= 1.01 X(o=2,f=1.7) USER MOD Set 2.2: A 64 SER OG : rot -129:sc= 0.95 USER MOD Single : A 1 MET CE :methyl 179:sc= -0.703 (180deg=-0.721) USER MOD Single : A 1 MET N :NH3+ -132:sc= 0.119 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0.816 K(o=0.82,f=-0.15) USER MOD Single : A 4 TYR OH : rot 107:sc= 2.14 USER MOD Single : A 13 GLN : amide:sc= 1.48 K(o=1.5,f=-8.1!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0.371 K(o=0.37,f=-3.8!) USER MOD Single : A 23 MET CE :methyl 159:sc= -0.628 (180deg=-1.24) USER MOD Single : A 27 LYS NZ :NH3+ 170:sc= 1.12 (180deg=0.979) USER MOD Single : A 29 LYS NZ :NH3+ 168:sc= 2.18 (180deg=1.84) USER MOD Single : A 35 LYS NZ :NH3+ 171:sc= 1.1 (180deg=1.03) USER MOD Single : A 36 ASN : amide:sc= 0.353 X(o=0.35,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 1.13 K(o=1.1,f=-0.41) USER MOD Single : A 55 SER OG : rot 67:sc= 1.33 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot -158:sc= 0.906 USER MOD Single : A 68 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0152) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 4:sc= 0.547 USER MOD Single : A 79 SER OG : rot 180:sc= 0.00832 USER MOD Single : A 84 HIS : no HD1:sc=-0.00945 X(o=-0.0095,f=-0.0095) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0.0153 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.917 -0.771 1.672 1.00 0.00 N ATOM 2 CA MET A 1 1.742 -0.331 0.262 1.00 0.00 C ATOM 3 C MET A 1 2.038 -1.495 -0.699 1.00 0.00 C ATOM 4 O MET A 1 2.141 -2.640 -0.251 1.00 0.00 O ATOM 5 CB MET A 1 2.570 0.930 -0.053 1.00 0.00 C ATOM 6 CG MET A 1 1.979 2.216 0.535 1.00 0.00 C ATOM 7 SD MET A 1 2.869 3.713 0.019 1.00 0.00 S ATOM 8 CE MET A 1 2.402 3.745 -1.733 1.00 0.00 C ATOM 0 H1 MET A 1 1.094 -0.472 2.234 1.00 0.00 H new ATOM 0 H2 MET A 1 2.000 -1.807 1.705 1.00 0.00 H new ATOM 0 H3 MET A 1 2.779 -0.342 2.065 1.00 0.00 H new ATOM 0 HA MET A 1 0.701 -0.043 0.116 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.581 0.796 0.332 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.652 1.039 -1.134 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.935 2.300 0.233 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.992 2.150 1.623 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.848 4.616 -2.213 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.760 2.839 -2.222 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.317 3.799 -1.819 1.00 0.00 H new ATOM 20 N LEU A 2 2.065 -1.253 -2.021 1.00 0.00 N ATOM 21 CA LEU A 2 1.944 -2.300 -3.023 1.00 0.00 C ATOM 22 C LEU A 2 2.562 -1.905 -4.374 1.00 0.00 C ATOM 23 O LEU A 2 2.982 -0.762 -4.580 1.00 0.00 O ATOM 24 CB LEU A 2 0.443 -2.556 -3.223 1.00 0.00 C ATOM 25 CG LEU A 2 0.121 -4.042 -3.425 1.00 0.00 C ATOM 26 CD1 LEU A 2 -0.280 -4.660 -2.095 1.00 0.00 C ATOM 27 CD2 LEU A 2 -0.979 -4.240 -4.471 1.00 0.00 C ATOM 0 H LEU A 2 2.172 -0.318 -2.415 1.00 0.00 H new ATOM 0 HA LEU A 2 2.480 -3.183 -2.674 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -0.104 -2.184 -2.357 1.00 0.00 H new ATOM 0 HB3 LEU A 2 0.094 -1.991 -4.087 1.00 0.00 H new ATOM 0 HG LEU A 2 1.014 -4.543 -3.799 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -0.509 -5.716 -2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 2 0.541 -4.560 -1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -1.160 -4.148 -1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -1.182 -5.304 -4.589 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -1.887 -3.732 -4.145 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -0.653 -3.825 -5.425 1.00 0.00 H new ATOM 39 N GLN A 3 2.536 -2.850 -5.315 1.00 0.00 N ATOM 40 CA GLN A 3 2.970 -2.737 -6.699 1.00 0.00 C ATOM 41 C GLN A 3 2.095 -3.666 -7.554 1.00 0.00 C ATOM 42 O GLN A 3 1.621 -4.693 -7.053 1.00 0.00 O ATOM 43 CB GLN A 3 4.449 -3.168 -6.762 1.00 0.00 C ATOM 44 CG GLN A 3 5.186 -2.875 -8.082 1.00 0.00 C ATOM 45 CD GLN A 3 6.331 -3.855 -8.358 1.00 0.00 C ATOM 46 OE1 GLN A 3 6.434 -4.421 -9.441 1.00 0.00 O ATOM 47 NE2 GLN A 3 7.210 -4.104 -7.402 1.00 0.00 N ATOM 0 H GLN A 3 2.183 -3.784 -5.108 1.00 0.00 H new ATOM 0 HA GLN A 3 2.873 -1.718 -7.074 1.00 0.00 H new ATOM 0 HB2 GLN A 3 4.985 -2.672 -5.953 1.00 0.00 H new ATOM 0 HB3 GLN A 3 4.502 -4.240 -6.570 1.00 0.00 H new ATOM 0 HG2 GLN A 3 4.474 -2.915 -8.906 1.00 0.00 H new ATOM 0 HG3 GLN A 3 5.583 -1.860 -8.053 1.00 0.00 H new ATOM 0 HE21 GLN A 3 7.128 -3.636 -6.500 1.00 0.00 H new ATOM 0 HE22 GLN A 3 7.970 -4.764 -7.567 1.00 0.00 H new ATOM 56 N TYR A 4 1.942 -3.362 -8.845 1.00 0.00 N ATOM 57 CA TYR A 4 1.486 -4.320 -9.853 1.00 0.00 C ATOM 58 C TYR A 4 2.486 -4.400 -11.003 1.00 0.00 C ATOM 59 O TYR A 4 3.300 -3.496 -11.205 1.00 0.00 O ATOM 60 CB TYR A 4 0.054 -4.026 -10.366 1.00 0.00 C ATOM 61 CG TYR A 4 -0.233 -2.659 -10.986 1.00 0.00 C ATOM 62 CD1 TYR A 4 0.577 -2.095 -11.998 1.00 0.00 C ATOM 63 CD2 TYR A 4 -1.371 -1.949 -10.559 1.00 0.00 C ATOM 64 CE1 TYR A 4 0.363 -0.779 -12.439 1.00 0.00 C ATOM 65 CE2 TYR A 4 -1.604 -0.638 -11.007 1.00 0.00 C ATOM 66 CZ TYR A 4 -0.693 -0.022 -11.888 1.00 0.00 C ATOM 67 OH TYR A 4 -0.821 1.304 -12.164 1.00 0.00 O ATOM 0 H TYR A 4 2.133 -2.434 -9.223 1.00 0.00 H new ATOM 0 HA TYR A 4 1.434 -5.294 -9.366 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -0.195 -4.785 -11.108 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.632 -4.161 -9.530 1.00 0.00 H new ATOM 0 HD1 TYR A 4 1.369 -2.683 -12.437 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -2.071 -2.416 -9.882 1.00 0.00 H new ATOM 0 HE1 TYR A 4 1.003 -0.349 -13.195 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -2.481 -0.102 -10.676 1.00 0.00 H new ATOM 0 HH TYR A 4 -1.579 1.440 -12.770 1.00 0.00 H new ATOM 77 N ARG A 5 2.328 -5.439 -11.822 1.00 0.00 N ATOM 78 CA ARG A 5 2.807 -5.493 -13.200 1.00 0.00 C ATOM 79 C ARG A 5 1.641 -6.038 -14.019 1.00 0.00 C ATOM 80 O ARG A 5 0.909 -6.908 -13.542 1.00 0.00 O ATOM 81 CB ARG A 5 4.075 -6.359 -13.293 1.00 0.00 C ATOM 82 CG ARG A 5 4.729 -6.342 -14.689 1.00 0.00 C ATOM 83 CD ARG A 5 6.023 -7.169 -14.672 1.00 0.00 C ATOM 84 NE ARG A 5 6.662 -7.251 -16.001 1.00 0.00 N ATOM 85 CZ ARG A 5 7.400 -8.272 -16.459 1.00 0.00 C ATOM 86 NH1 ARG A 5 7.708 -9.302 -15.672 1.00 0.00 N ATOM 87 NH2 ARG A 5 7.825 -8.254 -17.715 1.00 0.00 N ATOM 0 H ARG A 5 1.848 -6.292 -11.535 1.00 0.00 H new ATOM 0 HA ARG A 5 3.103 -4.517 -13.583 1.00 0.00 H new ATOM 0 HB2 ARG A 5 4.799 -6.010 -12.557 1.00 0.00 H new ATOM 0 HB3 ARG A 5 3.824 -7.387 -13.030 1.00 0.00 H new ATOM 0 HG2 ARG A 5 4.038 -6.747 -15.428 1.00 0.00 H new ATOM 0 HG3 ARG A 5 4.947 -5.316 -14.985 1.00 0.00 H new ATOM 0 HD2 ARG A 5 6.723 -6.727 -13.963 1.00 0.00 H new ATOM 0 HD3 ARG A 5 5.802 -8.175 -14.316 1.00 0.00 H new ATOM 0 HE ARG A 5 6.530 -6.458 -16.628 1.00 0.00 H new ATOM 0 HH11 ARG A 5 7.381 -9.321 -14.706 1.00 0.00 H new ATOM 0 HH12 ARG A 5 8.270 -10.071 -16.036 1.00 0.00 H new ATOM 0 HH21 ARG A 5 7.590 -7.469 -18.322 1.00 0.00 H new ATOM 0 HH22 ARG A 5 8.387 -9.026 -18.074 1.00 0.00 H new ATOM 101 N ILE A 6 1.441 -5.521 -15.223 1.00 0.00 N ATOM 102 CA ILE A 6 0.297 -5.819 -16.073 1.00 0.00 C ATOM 103 C ILE A 6 0.855 -5.993 -17.477 1.00 0.00 C ATOM 104 O ILE A 6 1.752 -5.247 -17.871 1.00 0.00 O ATOM 105 CB ILE A 6 -0.760 -4.677 -16.052 1.00 0.00 C ATOM 106 CG1 ILE A 6 -0.849 -3.923 -14.702 1.00 0.00 C ATOM 107 CG2 ILE A 6 -2.126 -5.247 -16.484 1.00 0.00 C ATOM 108 CD1 ILE A 6 -1.999 -2.914 -14.604 1.00 0.00 C ATOM 0 H ILE A 6 2.092 -4.861 -15.649 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.217 -6.713 -15.719 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.435 -3.918 -16.763 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.956 -4.654 -13.900 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.091 -3.399 -14.532 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.872 -4.452 -16.472 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -2.048 -5.656 -17.491 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.425 -6.036 -15.795 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.981 -2.436 -13.625 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.886 -2.157 -15.380 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.949 -3.431 -14.738 1.00 0.00 H new ATOM 120 N ILE A 7 0.301 -6.926 -18.244 1.00 0.00 N ATOM 121 CA ILE A 7 0.579 -7.110 -19.659 1.00 0.00 C ATOM 122 C ILE A 7 -0.783 -7.062 -20.353 1.00 0.00 C ATOM 123 O ILE A 7 -1.772 -7.570 -19.815 1.00 0.00 O ATOM 124 CB ILE A 7 1.334 -8.434 -19.967 1.00 0.00 C ATOM 125 CG1 ILE A 7 1.772 -9.320 -18.772 1.00 0.00 C ATOM 126 CG2 ILE A 7 2.542 -8.144 -20.861 1.00 0.00 C ATOM 127 CD1 ILE A 7 3.005 -8.838 -17.987 1.00 0.00 C ATOM 0 H ILE A 7 -0.377 -7.597 -17.882 1.00 0.00 H new ATOM 0 HA ILE A 7 1.249 -6.330 -20.020 1.00 0.00 H new ATOM 0 HB ILE A 7 0.577 -9.041 -20.464 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.934 -9.400 -18.079 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.974 -10.324 -19.145 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.068 -9.074 -21.074 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.204 -7.696 -21.795 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.215 -7.455 -20.351 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.216 -9.536 -17.177 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.865 -8.787 -18.655 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.809 -7.849 -17.573 1.00 0.00 H new ATOM 139 N VAL A 8 -0.849 -6.421 -21.518 1.00 0.00 N ATOM 140 CA VAL A 8 -2.103 -6.037 -22.155 1.00 0.00 C ATOM 141 C VAL A 8 -1.963 -6.142 -23.673 1.00 0.00 C ATOM 142 O VAL A 8 -0.912 -5.816 -24.230 1.00 0.00 O ATOM 143 CB VAL A 8 -2.506 -4.606 -21.713 1.00 0.00 C ATOM 144 CG1 VAL A 8 -3.465 -4.657 -20.523 1.00 0.00 C ATOM 145 CG2 VAL A 8 -1.341 -3.693 -21.317 1.00 0.00 C ATOM 0 H VAL A 8 -0.022 -6.151 -22.051 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.897 -6.715 -21.843 1.00 0.00 H new ATOM 0 HB VAL A 8 -2.971 -4.180 -22.602 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.735 -3.643 -20.229 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.365 -5.205 -20.804 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.980 -5.160 -19.686 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -1.727 -2.717 -21.024 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.800 -4.135 -20.480 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.665 -3.577 -22.164 1.00 0.00 H new ATOM 155 N ASP A 9 -3.033 -6.561 -24.345 1.00 0.00 N ATOM 156 CA ASP A 9 -3.136 -6.623 -25.800 1.00 0.00 C ATOM 157 C ASP A 9 -4.566 -6.266 -26.196 1.00 0.00 C ATOM 158 O ASP A 9 -5.489 -6.417 -25.394 1.00 0.00 O ATOM 159 CB ASP A 9 -2.774 -8.025 -26.305 1.00 0.00 C ATOM 160 CG ASP A 9 -2.892 -8.138 -27.834 1.00 0.00 C ATOM 161 OD1 ASP A 9 -2.452 -7.210 -28.549 1.00 0.00 O ATOM 162 OD2 ASP A 9 -3.401 -9.170 -28.325 1.00 0.00 O ATOM 0 H ASP A 9 -3.881 -6.877 -23.875 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.439 -5.917 -26.251 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -1.755 -8.267 -26.002 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -3.429 -8.759 -25.836 1.00 0.00 H new ATOM 167 N GLY A 10 -4.750 -5.744 -27.404 1.00 0.00 N ATOM 168 CA GLY A 10 -5.982 -5.140 -27.874 1.00 0.00 C ATOM 169 C GLY A 10 -5.607 -4.031 -28.845 1.00 0.00 C ATOM 170 O GLY A 10 -4.480 -4.003 -29.354 1.00 0.00 O ATOM 0 H GLY A 10 -4.012 -5.732 -28.108 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.610 -5.883 -28.365 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.556 -4.740 -27.038 1.00 0.00 H new ATOM 174 N ARG A 11 -6.500 -3.063 -29.049 1.00 0.00 N ATOM 175 CA ARG A 11 -6.079 -1.762 -29.563 1.00 0.00 C ATOM 176 C ARG A 11 -5.476 -1.021 -28.371 1.00 0.00 C ATOM 177 O ARG A 11 -6.134 -0.166 -27.786 1.00 0.00 O ATOM 178 CB ARG A 11 -7.260 -1.022 -30.231 1.00 0.00 C ATOM 179 CG ARG A 11 -6.875 0.298 -30.928 1.00 0.00 C ATOM 180 CD ARG A 11 -5.908 0.139 -32.114 1.00 0.00 C ATOM 181 NE ARG A 11 -6.438 -0.751 -33.165 1.00 0.00 N ATOM 182 CZ ARG A 11 -7.285 -0.413 -34.148 1.00 0.00 C ATOM 183 NH1 ARG A 11 -7.745 0.832 -34.257 1.00 0.00 N ATOM 184 NH2 ARG A 11 -7.673 -1.333 -35.026 1.00 0.00 N ATOM 0 H ARG A 11 -7.500 -3.152 -28.870 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.335 -1.845 -30.355 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.720 -1.685 -30.964 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.015 -0.812 -29.474 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.784 0.786 -31.280 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.421 0.963 -30.193 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.702 1.119 -32.544 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.959 -0.257 -31.753 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.128 -1.723 -33.141 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.453 1.544 -33.587 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.389 1.074 -35.010 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.327 -2.289 -34.949 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.317 -1.082 -35.776 1.00 0.00 H new ATOM 198 N VAL A 12 -4.255 -1.390 -27.980 1.00 0.00 N ATOM 199 CA VAL A 12 -3.569 -0.869 -26.797 1.00 0.00 C ATOM 200 C VAL A 12 -2.535 0.195 -27.182 1.00 0.00 C ATOM 201 O VAL A 12 -1.576 0.419 -26.451 1.00 0.00 O ATOM 202 CB VAL A 12 -3.001 -2.020 -25.931 1.00 0.00 C ATOM 203 CG1 VAL A 12 -4.157 -2.774 -25.266 1.00 0.00 C ATOM 204 CG2 VAL A 12 -2.100 -3.008 -26.696 1.00 0.00 C ATOM 0 H VAL A 12 -3.702 -2.078 -28.491 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.293 -0.356 -26.164 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.358 -1.552 -25.186 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.759 -3.585 -24.656 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.723 -2.089 -24.635 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.812 -3.185 -26.034 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.746 -3.781 -26.014 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.669 -3.469 -27.503 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.246 -2.474 -27.113 1.00 0.00 H new ATOM 214 N GLN A 13 -2.710 0.873 -28.318 1.00 0.00 N ATOM 215 CA GLN A 13 -1.997 2.107 -28.635 1.00 0.00 C ATOM 216 C GLN A 13 -3.073 3.085 -29.096 1.00 0.00 C ATOM 217 O GLN A 13 -3.503 3.924 -28.303 1.00 0.00 O ATOM 218 CB GLN A 13 -0.883 1.876 -29.680 1.00 0.00 C ATOM 219 CG GLN A 13 0.264 0.952 -29.231 1.00 0.00 C ATOM 220 CD GLN A 13 1.203 1.583 -28.202 1.00 0.00 C ATOM 221 OE1 GLN A 13 2.135 2.309 -28.545 1.00 0.00 O ATOM 222 NE2 GLN A 13 1.000 1.327 -26.920 1.00 0.00 N ATOM 0 H GLN A 13 -3.357 0.576 -29.049 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.462 2.507 -27.773 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -1.334 1.456 -30.579 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.461 2.842 -29.956 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.161 0.041 -28.810 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.844 0.659 -30.106 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.227 0.725 -26.636 1.00 0.00 H new ATOM 0 HE22 GLN A 13 1.616 1.732 -26.215 1.00 0.00 H new ATOM 231 N GLY A 14 -3.618 2.892 -30.301 1.00 0.00 N ATOM 232 CA GLY A 14 -4.683 3.735 -30.831 1.00 0.00 C ATOM 233 C GLY A 14 -4.285 5.208 -30.759 1.00 0.00 C ATOM 234 O GLY A 14 -3.181 5.576 -31.170 1.00 0.00 O ATOM 0 H GLY A 14 -3.330 2.145 -30.933 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -4.893 3.459 -31.864 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -5.600 3.572 -30.265 1.00 0.00 H new ATOM 238 N VAL A 15 -5.185 6.050 -30.247 1.00 0.00 N ATOM 239 CA VAL A 15 -4.968 7.492 -30.162 1.00 0.00 C ATOM 240 C VAL A 15 -3.868 7.820 -29.135 1.00 0.00 C ATOM 241 O VAL A 15 -3.117 8.776 -29.347 1.00 0.00 O ATOM 242 CB VAL A 15 -6.307 8.200 -29.851 1.00 0.00 C ATOM 243 CG1 VAL A 15 -6.185 9.731 -29.815 1.00 0.00 C ATOM 244 CG2 VAL A 15 -7.390 7.840 -30.884 1.00 0.00 C ATOM 0 H VAL A 15 -6.087 5.748 -29.879 1.00 0.00 H new ATOM 0 HA VAL A 15 -4.612 7.867 -31.122 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.589 7.844 -28.860 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -7.158 10.168 -29.592 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -5.472 10.021 -29.044 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -5.839 10.091 -30.784 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.317 8.356 -30.634 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.061 8.146 -31.877 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.559 6.763 -30.873 1.00 0.00 H new ATOM 254 N GLY A 16 -3.730 7.047 -28.047 1.00 0.00 N ATOM 255 CA GLY A 16 -2.772 7.370 -26.992 1.00 0.00 C ATOM 256 C GLY A 16 -2.959 6.558 -25.717 1.00 0.00 C ATOM 257 O GLY A 16 -2.967 7.137 -24.633 1.00 0.00 O ATOM 0 H GLY A 16 -4.270 6.198 -27.880 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -1.762 7.207 -27.370 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -2.855 8.430 -26.751 1.00 0.00 H new ATOM 261 N PHE A 17 -3.137 5.236 -25.811 1.00 0.00 N ATOM 262 CA PHE A 17 -3.333 4.360 -24.651 1.00 0.00 C ATOM 263 C PHE A 17 -2.215 4.524 -23.614 1.00 0.00 C ATOM 264 O PHE A 17 -2.492 4.582 -22.418 1.00 0.00 O ATOM 265 CB PHE A 17 -3.399 2.906 -25.127 1.00 0.00 C ATOM 266 CG PHE A 17 -3.758 1.873 -24.072 1.00 0.00 C ATOM 267 CD1 PHE A 17 -5.090 1.735 -23.631 1.00 0.00 C ATOM 268 CD2 PHE A 17 -2.772 0.998 -23.578 1.00 0.00 C ATOM 269 CE1 PHE A 17 -5.440 0.704 -22.742 1.00 0.00 C ATOM 270 CE2 PHE A 17 -3.121 -0.029 -22.684 1.00 0.00 C ATOM 271 CZ PHE A 17 -4.456 -0.189 -22.281 1.00 0.00 C ATOM 0 H PHE A 17 -3.149 4.740 -26.702 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.268 4.640 -24.166 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.130 2.842 -25.933 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.431 2.640 -25.552 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -5.845 2.425 -23.978 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.744 1.116 -23.887 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.463 0.598 -22.413 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.360 -0.696 -22.306 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.727 -0.997 -21.618 1.00 0.00 H new ATOM 281 N ARG A 18 -0.957 4.654 -24.065 1.00 0.00 N ATOM 282 CA ARG A 18 0.184 4.891 -23.175 1.00 0.00 C ATOM 283 C ARG A 18 -0.018 6.169 -22.363 1.00 0.00 C ATOM 284 O ARG A 18 0.171 6.152 -21.149 1.00 0.00 O ATOM 285 CB ARG A 18 1.500 4.951 -23.979 1.00 0.00 C ATOM 286 CG ARG A 18 2.070 3.550 -24.242 1.00 0.00 C ATOM 287 CD ARG A 18 3.413 3.556 -24.993 1.00 0.00 C ATOM 288 NE ARG A 18 3.250 3.830 -26.434 1.00 0.00 N ATOM 289 CZ ARG A 18 3.497 4.963 -27.103 1.00 0.00 C ATOM 290 NH1 ARG A 18 3.927 6.059 -26.484 1.00 0.00 N ATOM 291 NH2 ARG A 18 3.294 4.964 -28.414 1.00 0.00 N ATOM 0 H ARG A 18 -0.706 4.598 -25.052 1.00 0.00 H new ATOM 0 HA ARG A 18 0.251 4.056 -22.478 1.00 0.00 H new ATOM 0 HB2 ARG A 18 1.323 5.456 -24.929 1.00 0.00 H new ATOM 0 HB3 ARG A 18 2.233 5.545 -23.433 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.199 3.036 -23.290 1.00 0.00 H new ATOM 0 HG3 ARG A 18 1.345 2.975 -24.818 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.068 4.309 -24.555 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.904 2.591 -24.862 1.00 0.00 H new ATOM 0 HE ARG A 18 2.903 3.052 -26.995 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.076 6.050 -25.475 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.107 6.909 -27.018 1.00 0.00 H new ATOM 0 HH21 ARG A 18 2.960 4.120 -28.879 1.00 0.00 H new ATOM 0 HH22 ARG A 18 3.471 5.809 -28.957 1.00 0.00 H new ATOM 305 N TYR A 19 -0.427 7.263 -23.007 1.00 0.00 N ATOM 306 CA TYR A 19 -0.695 8.508 -22.300 1.00 0.00 C ATOM 307 C TYR A 19 -1.873 8.314 -21.344 1.00 0.00 C ATOM 308 O TYR A 19 -1.780 8.702 -20.181 1.00 0.00 O ATOM 309 CB TYR A 19 -0.962 9.639 -23.302 1.00 0.00 C ATOM 310 CG TYR A 19 -1.116 10.999 -22.648 1.00 0.00 C ATOM 311 CD1 TYR A 19 0.025 11.700 -22.213 1.00 0.00 C ATOM 312 CD2 TYR A 19 -2.396 11.561 -22.468 1.00 0.00 C ATOM 313 CE1 TYR A 19 -0.105 12.960 -21.601 1.00 0.00 C ATOM 314 CE2 TYR A 19 -2.531 12.826 -21.869 1.00 0.00 C ATOM 315 CZ TYR A 19 -1.389 13.530 -21.427 1.00 0.00 C ATOM 316 OH TYR A 19 -1.537 14.751 -20.841 1.00 0.00 O ATOM 0 H TYR A 19 -0.579 7.309 -24.015 1.00 0.00 H new ATOM 0 HA TYR A 19 0.178 8.789 -21.711 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -0.142 9.680 -24.019 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -1.867 9.410 -23.865 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.005 11.268 -22.350 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -3.273 11.020 -22.790 1.00 0.00 H new ATOM 0 HE1 TYR A 19 0.773 13.491 -21.265 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -3.512 13.261 -21.746 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.488 14.984 -20.806 1.00 0.00 H new ATOM 326 N PHE A 20 -2.954 7.673 -21.804 1.00 0.00 N ATOM 327 CA PHE A 20 -4.147 7.453 -20.999 1.00 0.00 C ATOM 328 C PHE A 20 -3.821 6.730 -19.698 1.00 0.00 C ATOM 329 O PHE A 20 -4.232 7.210 -18.641 1.00 0.00 O ATOM 330 CB PHE A 20 -5.228 6.695 -21.787 1.00 0.00 C ATOM 331 CG PHE A 20 -6.264 6.016 -20.903 1.00 0.00 C ATOM 332 CD1 PHE A 20 -7.356 6.742 -20.390 1.00 0.00 C ATOM 333 CD2 PHE A 20 -6.110 4.656 -20.557 1.00 0.00 C ATOM 334 CE1 PHE A 20 -8.290 6.111 -19.547 1.00 0.00 C ATOM 335 CE2 PHE A 20 -7.041 4.028 -19.710 1.00 0.00 C ATOM 336 CZ PHE A 20 -8.135 4.755 -19.208 1.00 0.00 C ATOM 0 H PHE A 20 -3.020 7.294 -22.749 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.545 8.435 -20.744 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.734 7.392 -22.456 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.749 5.943 -22.414 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -7.477 7.785 -20.644 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -5.273 4.095 -20.945 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -9.129 6.670 -19.159 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -6.916 2.988 -19.445 1.00 0.00 H new ATOM 0 HZ PHE A 20 -8.855 4.273 -18.563 1.00 0.00 H new ATOM 346 N VAL A 21 -3.085 5.613 -19.734 1.00 0.00 N ATOM 347 CA VAL A 21 -2.820 4.906 -18.498 1.00 0.00 C ATOM 348 C VAL A 21 -2.001 5.797 -17.563 1.00 0.00 C ATOM 349 O VAL A 21 -2.292 5.838 -16.374 1.00 0.00 O ATOM 350 CB VAL A 21 -2.225 3.509 -18.731 1.00 0.00 C ATOM 351 CG1 VAL A 21 -3.184 2.603 -19.519 1.00 0.00 C ATOM 352 CG2 VAL A 21 -0.843 3.473 -19.387 1.00 0.00 C ATOM 0 H VAL A 21 -2.681 5.200 -20.575 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.765 4.700 -17.995 1.00 0.00 H new ATOM 0 HB VAL A 21 -2.086 3.129 -17.719 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.725 1.625 -19.662 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.115 2.489 -18.964 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.393 3.052 -20.490 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.522 2.438 -19.503 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.893 3.949 -20.366 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.129 4.007 -18.760 1.00 0.00 H new ATOM 362 N GLN A 22 -1.070 6.614 -18.065 1.00 0.00 N ATOM 363 CA GLN A 22 -0.329 7.509 -17.186 1.00 0.00 C ATOM 364 C GLN A 22 -1.156 8.715 -16.720 1.00 0.00 C ATOM 365 O GLN A 22 -0.845 9.268 -15.665 1.00 0.00 O ATOM 366 CB GLN A 22 1.025 7.879 -17.795 1.00 0.00 C ATOM 367 CG GLN A 22 1.929 6.677 -18.163 1.00 0.00 C ATOM 368 CD GLN A 22 2.190 5.618 -17.074 1.00 0.00 C ATOM 369 OE1 GLN A 22 1.306 5.153 -16.366 1.00 0.00 O ATOM 370 NE2 GLN A 22 3.421 5.160 -16.926 1.00 0.00 N ATOM 0 H GLN A 22 -0.819 6.671 -19.052 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.115 6.964 -16.266 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.852 8.472 -18.693 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.561 8.515 -17.091 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.484 6.173 -19.021 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.893 7.069 -18.488 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.176 5.530 -17.503 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.616 4.436 -16.234 1.00 0.00 H new ATOM 379 N MET A 23 -2.252 9.077 -17.399 1.00 0.00 N ATOM 380 CA MET A 23 -3.239 9.991 -16.816 1.00 0.00 C ATOM 381 C MET A 23 -3.886 9.310 -15.612 1.00 0.00 C ATOM 382 O MET A 23 -3.961 9.898 -14.538 1.00 0.00 O ATOM 383 CB MET A 23 -4.369 10.392 -17.779 1.00 0.00 C ATOM 384 CG MET A 23 -3.959 11.152 -19.039 1.00 0.00 C ATOM 385 SD MET A 23 -5.370 11.953 -19.864 1.00 0.00 S ATOM 386 CE MET A 23 -6.400 10.529 -20.332 1.00 0.00 C ATOM 0 H MET A 23 -2.475 8.755 -18.341 1.00 0.00 H new ATOM 0 HA MET A 23 -2.695 10.898 -16.552 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.894 9.487 -18.083 1.00 0.00 H new ATOM 0 HB3 MET A 23 -5.083 11.005 -17.229 1.00 0.00 H new ATOM 0 HG2 MET A 23 -3.219 11.908 -18.778 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.480 10.463 -19.734 1.00 0.00 H new ATOM 0 HE1 MET A 23 -7.426 10.860 -20.495 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.012 10.085 -21.249 1.00 0.00 H new ATOM 0 HE3 MET A 23 -6.380 9.787 -19.533 1.00 0.00 H new ATOM 396 N GLU A 24 -4.338 8.064 -15.771 1.00 0.00 N ATOM 397 CA GLU A 24 -4.982 7.294 -14.719 1.00 0.00 C ATOM 398 C GLU A 24 -4.005 6.982 -13.575 1.00 0.00 C ATOM 399 O GLU A 24 -4.455 6.736 -12.452 1.00 0.00 O ATOM 400 CB GLU A 24 -5.534 5.999 -15.341 1.00 0.00 C ATOM 401 CG GLU A 24 -6.742 6.213 -16.269 1.00 0.00 C ATOM 402 CD GLU A 24 -8.000 6.629 -15.497 1.00 0.00 C ATOM 403 OE1 GLU A 24 -8.318 5.981 -14.474 1.00 0.00 O ATOM 404 OE2 GLU A 24 -8.644 7.638 -15.866 1.00 0.00 O ATOM 0 H GLU A 24 -4.262 7.558 -16.653 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.796 7.876 -14.286 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.738 5.512 -15.905 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.821 5.318 -14.540 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.500 6.979 -17.006 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.943 5.294 -16.819 1.00 0.00 H new ATOM 411 N ALA A 25 -2.693 6.995 -13.834 1.00 0.00 N ATOM 412 CA ALA A 25 -1.662 6.908 -12.814 1.00 0.00 C ATOM 413 C ALA A 25 -1.610 8.220 -12.038 1.00 0.00 C ATOM 414 O ALA A 25 -1.784 8.227 -10.819 1.00 0.00 O ATOM 415 CB ALA A 25 -0.296 6.619 -13.452 1.00 0.00 C ATOM 0 H ALA A 25 -2.319 7.068 -14.780 1.00 0.00 H new ATOM 0 HA ALA A 25 -1.901 6.091 -12.134 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.464 6.557 -12.673 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.339 5.673 -13.992 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.041 7.421 -14.145 1.00 0.00 H new ATOM 421 N ASP A 26 -1.415 9.332 -12.752 1.00 0.00 N ATOM 422 CA ASP A 26 -1.290 10.673 -12.180 1.00 0.00 C ATOM 423 C ASP A 26 -2.509 11.036 -11.335 1.00 0.00 C ATOM 424 O ASP A 26 -2.366 11.604 -10.250 1.00 0.00 O ATOM 425 CB ASP A 26 -1.112 11.701 -13.303 1.00 0.00 C ATOM 426 CG ASP A 26 -1.086 13.131 -12.743 1.00 0.00 C ATOM 427 OD1 ASP A 26 -0.185 13.446 -11.936 1.00 0.00 O ATOM 428 OD2 ASP A 26 -1.972 13.938 -13.100 1.00 0.00 O ATOM 0 H ASP A 26 -1.338 9.323 -13.769 1.00 0.00 H new ATOM 0 HA ASP A 26 -0.415 10.682 -11.530 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -0.185 11.500 -13.841 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -1.925 11.603 -14.022 1.00 0.00 H new ATOM 433 N LYS A 27 -3.695 10.619 -11.786 1.00 0.00 N ATOM 434 CA LYS A 27 -4.975 10.782 -11.104 1.00 0.00 C ATOM 435 C LYS A 27 -4.919 10.330 -9.641 1.00 0.00 C ATOM 436 O LYS A 27 -5.507 10.971 -8.769 1.00 0.00 O ATOM 437 CB LYS A 27 -6.021 9.978 -11.896 1.00 0.00 C ATOM 438 CG LYS A 27 -7.466 10.292 -11.476 1.00 0.00 C ATOM 439 CD LYS A 27 -8.307 9.023 -11.305 1.00 0.00 C ATOM 440 CE LYS A 27 -8.548 8.283 -12.623 1.00 0.00 C ATOM 441 NZ LYS A 27 -9.387 9.030 -13.592 1.00 0.00 N ATOM 0 H LYS A 27 -3.790 10.136 -12.679 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.241 11.839 -11.073 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.904 10.188 -12.959 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.832 8.913 -11.759 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.457 10.849 -10.539 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.929 10.935 -12.225 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -7.807 8.354 -10.605 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.267 9.287 -10.862 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.586 8.064 -13.085 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.024 7.326 -12.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.366 8.548 -14.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.366 9.070 -13.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.017 9.996 -13.699 1.00 0.00 H new ATOM 455 N ARG A 28 -4.194 9.242 -9.370 1.00 0.00 N ATOM 456 CA ARG A 28 -4.034 8.641 -8.042 1.00 0.00 C ATOM 457 C ARG A 28 -2.591 8.778 -7.533 1.00 0.00 C ATOM 458 O ARG A 28 -2.209 8.082 -6.593 1.00 0.00 O ATOM 459 CB ARG A 28 -4.514 7.178 -8.110 1.00 0.00 C ATOM 460 CG ARG A 28 -6.047 7.061 -8.047 1.00 0.00 C ATOM 461 CD ARG A 28 -6.554 5.711 -8.566 1.00 0.00 C ATOM 462 NE ARG A 28 -6.359 5.596 -10.023 1.00 0.00 N ATOM 463 CZ ARG A 28 -7.291 5.352 -10.951 1.00 0.00 C ATOM 464 NH1 ARG A 28 -8.566 5.137 -10.637 1.00 0.00 N ATOM 465 NH2 ARG A 28 -6.915 5.360 -12.216 1.00 0.00 N ATOM 0 H ARG A 28 -3.684 8.737 -10.094 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.646 9.172 -7.313 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.155 6.723 -9.033 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.075 6.616 -7.286 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.377 7.198 -7.017 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.494 7.863 -8.634 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.027 4.902 -8.060 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -7.612 5.600 -8.328 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.405 5.716 -10.362 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -8.861 5.155 -9.661 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -9.249 4.954 -11.373 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.942 5.548 -12.458 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -7.597 5.178 -12.952 1.00 0.00 H new ATOM 479 N LYS A 29 -1.788 9.671 -8.131 1.00 0.00 N ATOM 480 CA LYS A 29 -0.365 9.881 -7.828 1.00 0.00 C ATOM 481 C LYS A 29 0.427 8.559 -7.821 1.00 0.00 C ATOM 482 O LYS A 29 1.389 8.407 -7.065 1.00 0.00 O ATOM 483 CB LYS A 29 -0.209 10.686 -6.515 1.00 0.00 C ATOM 484 CG LYS A 29 -0.896 12.069 -6.471 1.00 0.00 C ATOM 485 CD LYS A 29 0.010 13.247 -6.872 1.00 0.00 C ATOM 486 CE LYS A 29 0.414 13.301 -8.352 1.00 0.00 C ATOM 487 NZ LYS A 29 -0.717 13.642 -9.246 1.00 0.00 N ATOM 0 H LYS A 29 -2.126 10.291 -8.868 1.00 0.00 H new ATOM 0 HA LYS A 29 0.073 10.477 -8.629 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.602 10.083 -5.696 1.00 0.00 H new ATOM 0 HB3 LYS A 29 0.855 10.827 -6.325 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.762 12.051 -7.133 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -1.270 12.242 -5.462 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.500 14.176 -6.619 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.916 13.207 -6.268 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.207 14.038 -8.480 1.00 0.00 H new ATOM 0 HE3 LYS A 29 0.825 12.336 -8.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.355 13.863 -10.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.369 12.834 -9.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.222 14.468 -8.867 1.00 0.00 H new ATOM 501 N LEU A 30 0.020 7.594 -8.649 1.00 0.00 N ATOM 502 CA LEU A 30 0.758 6.352 -8.866 1.00 0.00 C ATOM 503 C LEU A 30 2.031 6.683 -9.651 1.00 0.00 C ATOM 504 O LEU A 30 2.069 7.682 -10.378 1.00 0.00 O ATOM 505 CB LEU A 30 -0.119 5.338 -9.627 1.00 0.00 C ATOM 506 CG LEU A 30 -1.394 4.908 -8.875 1.00 0.00 C ATOM 507 CD1 LEU A 30 -2.256 3.997 -9.754 1.00 0.00 C ATOM 508 CD2 LEU A 30 -1.060 4.191 -7.566 1.00 0.00 C ATOM 0 H LEU A 30 -0.841 7.656 -9.193 1.00 0.00 H new ATOM 0 HA LEU A 30 1.028 5.898 -7.913 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.406 5.771 -10.585 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.477 4.451 -9.844 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.951 5.814 -8.637 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.151 3.704 -9.206 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.543 4.531 -10.660 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.687 3.107 -10.023 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.983 3.903 -7.063 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.470 3.300 -7.780 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.489 4.859 -6.921 1.00 0.00 H new ATOM 520 N ALA A 31 3.062 5.844 -9.536 1.00 0.00 N ATOM 521 CA ALA A 31 4.364 6.073 -10.154 1.00 0.00 C ATOM 522 C ALA A 31 4.890 4.742 -10.686 1.00 0.00 C ATOM 523 O ALA A 31 4.805 3.733 -9.985 1.00 0.00 O ATOM 524 CB ALA A 31 5.308 6.674 -9.106 1.00 0.00 C ATOM 0 H ALA A 31 3.013 4.976 -9.003 1.00 0.00 H new ATOM 0 HA ALA A 31 4.289 6.772 -10.987 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.285 6.850 -9.555 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.899 7.618 -8.746 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.412 5.982 -8.271 1.00 0.00 H new ATOM 530 N GLY A 32 5.400 4.725 -11.917 1.00 0.00 N ATOM 531 CA GLY A 32 5.672 3.496 -12.651 1.00 0.00 C ATOM 532 C GLY A 32 5.992 3.767 -14.117 1.00 0.00 C ATOM 533 O GLY A 32 6.105 4.928 -14.513 1.00 0.00 O ATOM 0 H GLY A 32 5.637 5.572 -12.434 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.509 2.974 -12.187 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.808 2.835 -12.584 1.00 0.00 H new ATOM 537 N TRP A 33 6.087 2.721 -14.941 1.00 0.00 N ATOM 538 CA TRP A 33 6.284 2.843 -16.383 1.00 0.00 C ATOM 539 C TRP A 33 5.102 2.265 -17.162 1.00 0.00 C ATOM 540 O TRP A 33 4.356 1.421 -16.653 1.00 0.00 O ATOM 541 CB TRP A 33 7.623 2.214 -16.818 1.00 0.00 C ATOM 542 CG TRP A 33 7.822 0.722 -16.701 1.00 0.00 C ATOM 543 CD1 TRP A 33 7.030 -0.249 -17.219 1.00 0.00 C ATOM 544 CD2 TRP A 33 8.953 0.009 -16.106 1.00 0.00 C ATOM 545 NE1 TRP A 33 7.572 -1.493 -16.970 1.00 0.00 N ATOM 546 CE2 TRP A 33 8.778 -1.393 -16.315 1.00 0.00 C ATOM 547 CE3 TRP A 33 10.131 0.407 -15.435 1.00 0.00 C ATOM 548 CZ2 TRP A 33 9.719 -2.342 -15.890 1.00 0.00 C ATOM 549 CZ3 TRP A 33 11.079 -0.536 -14.996 1.00 0.00 C ATOM 550 CH2 TRP A 33 10.877 -1.909 -15.223 1.00 0.00 C ATOM 0 H TRP A 33 6.028 1.755 -14.619 1.00 0.00 H new ATOM 0 HA TRP A 33 6.332 3.905 -16.622 1.00 0.00 H new ATOM 0 HB2 TRP A 33 7.785 2.483 -17.862 1.00 0.00 H new ATOM 0 HB3 TRP A 33 8.412 2.694 -16.239 1.00 0.00 H new ATOM 0 HD1 TRP A 33 6.106 -0.074 -17.751 1.00 0.00 H new ATOM 0 HE1 TRP A 33 7.134 -2.375 -17.237 1.00 0.00 H new ATOM 0 HE3 TRP A 33 10.308 1.457 -15.255 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 9.555 -3.394 -16.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 11.968 -0.203 -14.481 1.00 0.00 H new ATOM 0 HH2 TRP A 33 11.609 -2.628 -14.886 1.00 0.00 H new ATOM 561 N VAL A 34 5.001 2.664 -18.433 1.00 0.00 N ATOM 562 CA VAL A 34 4.268 1.930 -19.460 1.00 0.00 C ATOM 563 C VAL A 34 5.217 1.734 -20.642 1.00 0.00 C ATOM 564 O VAL A 34 6.043 2.603 -20.939 1.00 0.00 O ATOM 565 CB VAL A 34 2.931 2.617 -19.811 1.00 0.00 C ATOM 566 CG1 VAL A 34 3.112 4.002 -20.440 1.00 0.00 C ATOM 567 CG2 VAL A 34 2.100 1.734 -20.753 1.00 0.00 C ATOM 0 H VAL A 34 5.434 3.520 -18.779 1.00 0.00 H new ATOM 0 HA VAL A 34 3.960 0.947 -19.104 1.00 0.00 H new ATOM 0 HB VAL A 34 2.405 2.755 -18.866 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.135 4.431 -20.663 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.643 4.651 -19.744 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.687 3.911 -21.361 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.161 2.236 -20.989 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.658 1.557 -21.673 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.890 0.781 -20.267 1.00 0.00 H new ATOM 577 N LYS A 35 5.122 0.570 -21.280 1.00 0.00 N ATOM 578 CA LYS A 35 6.110 0.028 -22.199 1.00 0.00 C ATOM 579 C LYS A 35 5.376 -0.718 -23.308 1.00 0.00 C ATOM 580 O LYS A 35 4.259 -1.192 -23.094 1.00 0.00 O ATOM 581 CB LYS A 35 7.027 -0.887 -21.366 1.00 0.00 C ATOM 582 CG LYS A 35 8.155 -1.603 -22.130 1.00 0.00 C ATOM 583 CD LYS A 35 9.105 -2.357 -21.182 1.00 0.00 C ATOM 584 CE LYS A 35 8.357 -3.433 -20.373 1.00 0.00 C ATOM 585 NZ LYS A 35 9.228 -4.190 -19.441 1.00 0.00 N ATOM 0 H LYS A 35 4.317 -0.046 -21.163 1.00 0.00 H new ATOM 0 HA LYS A 35 6.719 0.794 -22.679 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.477 -0.289 -20.573 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.408 -1.643 -20.883 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.722 -2.305 -22.843 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.723 -0.873 -22.707 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.903 -2.824 -21.760 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.577 -1.650 -20.500 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.558 -2.958 -19.804 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.885 -4.132 -21.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.641 -4.786 -18.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.879 -4.791 -19.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.776 -3.524 -18.859 1.00 0.00 H new ATOM 599 N ASN A 36 6.015 -0.896 -24.463 1.00 0.00 N ATOM 600 CA ASN A 36 5.578 -1.855 -25.477 1.00 0.00 C ATOM 601 C ASN A 36 6.701 -2.871 -25.641 1.00 0.00 C ATOM 602 O ASN A 36 7.843 -2.493 -25.906 1.00 0.00 O ATOM 603 CB ASN A 36 5.232 -1.167 -26.805 1.00 0.00 C ATOM 604 CG ASN A 36 4.794 -2.212 -27.831 1.00 0.00 C ATOM 605 OD1 ASN A 36 5.522 -2.527 -28.764 1.00 0.00 O ATOM 606 ND2 ASN A 36 3.612 -2.786 -27.659 1.00 0.00 N ATOM 0 H ASN A 36 6.854 -0.377 -24.723 1.00 0.00 H new ATOM 0 HA ASN A 36 4.660 -2.350 -25.161 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.436 -0.439 -26.651 1.00 0.00 H new ATOM 0 HB3 ASN A 36 6.097 -0.619 -27.177 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.294 -3.504 -28.310 1.00 0.00 H new ATOM 0 HD22 ASN A 36 3.020 -2.510 -26.876 1.00 0.00 H new ATOM 613 N ARG A 37 6.395 -4.148 -25.406 1.00 0.00 N ATOM 614 CA ARG A 37 7.373 -5.231 -25.441 1.00 0.00 C ATOM 615 C ARG A 37 7.695 -5.539 -26.902 1.00 0.00 C ATOM 616 O ARG A 37 6.827 -5.395 -27.764 1.00 0.00 O ATOM 617 CB ARG A 37 6.768 -6.480 -24.766 1.00 0.00 C ATOM 618 CG ARG A 37 6.443 -6.322 -23.267 1.00 0.00 C ATOM 619 CD ARG A 37 5.184 -7.099 -22.843 1.00 0.00 C ATOM 620 NE ARG A 37 5.238 -8.538 -23.145 1.00 0.00 N ATOM 621 CZ ARG A 37 5.579 -9.510 -22.292 1.00 0.00 C ATOM 622 NH1 ARG A 37 6.065 -9.246 -21.081 1.00 0.00 N ATOM 623 NH2 ARG A 37 5.397 -10.763 -22.690 1.00 0.00 N ATOM 0 H ARG A 37 5.450 -4.460 -25.184 1.00 0.00 H new ATOM 0 HA ARG A 37 8.282 -4.944 -24.912 1.00 0.00 H new ATOM 0 HB2 ARG A 37 5.853 -6.752 -25.293 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.463 -7.311 -24.885 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.293 -6.667 -22.678 1.00 0.00 H new ATOM 0 HG3 ARG A 37 6.305 -5.265 -23.039 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.033 -6.969 -21.771 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.317 -6.666 -23.342 1.00 0.00 H new ATOM 0 HE ARG A 37 4.992 -8.821 -24.094 1.00 0.00 H new ATOM 0 HH11 ARG A 37 6.187 -8.279 -20.780 1.00 0.00 H new ATOM 0 HH12 ARG A 37 6.316 -10.011 -20.454 1.00 0.00 H new ATOM 0 HH21 ARG A 37 5.011 -10.953 -23.615 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.643 -11.536 -22.071 1.00 0.00 H new ATOM 637 N ASP A 38 8.884 -6.082 -27.176 1.00 0.00 N ATOM 638 CA ASP A 38 9.194 -6.685 -28.481 1.00 0.00 C ATOM 639 C ASP A 38 8.240 -7.854 -28.782 1.00 0.00 C ATOM 640 O ASP A 38 7.907 -8.123 -29.935 1.00 0.00 O ATOM 641 CB ASP A 38 10.647 -7.173 -28.502 1.00 0.00 C ATOM 642 CG ASP A 38 10.983 -7.876 -29.827 1.00 0.00 C ATOM 643 OD1 ASP A 38 11.126 -7.189 -30.864 1.00 0.00 O ATOM 644 OD2 ASP A 38 11.144 -9.118 -29.835 1.00 0.00 O ATOM 0 H ASP A 38 9.654 -6.118 -26.508 1.00 0.00 H new ATOM 0 HA ASP A 38 9.061 -5.926 -29.252 1.00 0.00 H new ATOM 0 HB2 ASP A 38 11.319 -6.327 -28.357 1.00 0.00 H new ATOM 0 HB3 ASP A 38 10.814 -7.859 -27.672 1.00 0.00 H new ATOM 649 N ASP A 39 7.748 -8.499 -27.719 1.00 0.00 N ATOM 650 CA ASP A 39 6.697 -9.518 -27.721 1.00 0.00 C ATOM 651 C ASP A 39 5.349 -9.006 -28.269 1.00 0.00 C ATOM 652 O ASP A 39 4.491 -9.811 -28.631 1.00 0.00 O ATOM 653 CB ASP A 39 6.569 -10.028 -26.277 1.00 0.00 C ATOM 654 CG ASP A 39 5.314 -10.855 -26.015 1.00 0.00 C ATOM 655 OD1 ASP A 39 5.241 -12.025 -26.443 1.00 0.00 O ATOM 656 OD2 ASP A 39 4.415 -10.341 -25.308 1.00 0.00 O ATOM 0 H ASP A 39 8.095 -8.311 -26.778 1.00 0.00 H new ATOM 0 HA ASP A 39 6.974 -10.325 -28.400 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.445 -10.631 -26.038 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.576 -9.174 -25.600 1.00 0.00 H new ATOM 661 N GLY A 40 5.147 -7.687 -28.372 1.00 0.00 N ATOM 662 CA GLY A 40 4.028 -7.061 -29.069 1.00 0.00 C ATOM 663 C GLY A 40 3.008 -6.490 -28.090 1.00 0.00 C ATOM 664 O GLY A 40 2.478 -5.399 -28.314 1.00 0.00 O ATOM 0 H GLY A 40 5.783 -7.007 -27.956 1.00 0.00 H new ATOM 0 HA2 GLY A 40 4.400 -6.265 -29.714 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.544 -7.794 -29.714 1.00 0.00 H new ATOM 668 N ARG A 41 2.779 -7.198 -26.977 1.00 0.00 N ATOM 669 CA ARG A 41 1.968 -6.726 -25.857 1.00 0.00 C ATOM 670 C ARG A 41 2.499 -5.388 -25.344 1.00 0.00 C ATOM 671 O ARG A 41 3.704 -5.124 -25.366 1.00 0.00 O ATOM 672 CB ARG A 41 2.014 -7.764 -24.717 1.00 0.00 C ATOM 673 CG ARG A 41 0.914 -8.835 -24.686 1.00 0.00 C ATOM 674 CD ARG A 41 0.688 -9.607 -25.993 1.00 0.00 C ATOM 675 NE ARG A 41 1.783 -10.531 -26.342 1.00 0.00 N ATOM 676 CZ ARG A 41 1.677 -11.520 -27.243 1.00 0.00 C ATOM 677 NH1 ARG A 41 0.548 -11.703 -27.925 1.00 0.00 N ATOM 678 NH2 ARG A 41 2.699 -12.337 -27.457 1.00 0.00 N ATOM 0 H ARG A 41 3.161 -8.132 -26.831 1.00 0.00 H new ATOM 0 HA ARG A 41 0.941 -6.593 -26.197 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.977 -8.273 -24.764 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.985 -7.225 -23.770 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.155 -9.552 -23.901 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.024 -8.356 -24.404 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.240 -10.174 -25.912 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.556 -8.893 -26.806 1.00 0.00 H new ATOM 0 HE ARG A 41 2.678 -10.411 -25.868 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.250 -11.088 -27.765 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.481 -12.459 -28.607 1.00 0.00 H new ATOM 0 HH21 ARG A 41 3.568 -12.214 -26.936 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.617 -13.088 -28.142 1.00 0.00 H new ATOM 692 N VAL A 42 1.605 -4.577 -24.798 1.00 0.00 N ATOM 693 CA VAL A 42 1.952 -3.459 -23.939 1.00 0.00 C ATOM 694 C VAL A 42 2.169 -4.029 -22.534 1.00 0.00 C ATOM 695 O VAL A 42 1.670 -5.106 -22.202 1.00 0.00 O ATOM 696 CB VAL A 42 0.828 -2.408 -24.059 1.00 0.00 C ATOM 697 CG1 VAL A 42 0.756 -1.355 -22.945 1.00 0.00 C ATOM 698 CG2 VAL A 42 1.000 -1.682 -25.397 1.00 0.00 C ATOM 0 H VAL A 42 0.601 -4.681 -24.943 1.00 0.00 H new ATOM 0 HA VAL A 42 2.872 -2.945 -24.215 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.102 -2.970 -23.977 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.073 -0.674 -23.141 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.601 -1.850 -21.986 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.689 -0.792 -22.916 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.217 -0.932 -25.507 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.975 -1.195 -25.424 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.931 -2.402 -26.213 1.00 0.00 H new ATOM 708 N GLU A 43 2.913 -3.310 -21.703 1.00 0.00 N ATOM 709 CA GLU A 43 3.204 -3.685 -20.333 1.00 0.00 C ATOM 710 C GLU A 43 3.139 -2.424 -19.478 1.00 0.00 C ATOM 711 O GLU A 43 3.474 -1.337 -19.950 1.00 0.00 O ATOM 712 CB GLU A 43 4.593 -4.331 -20.275 1.00 0.00 C ATOM 713 CG GLU A 43 4.819 -5.133 -18.988 1.00 0.00 C ATOM 714 CD GLU A 43 6.176 -5.836 -18.983 1.00 0.00 C ATOM 715 OE1 GLU A 43 6.370 -6.833 -19.710 1.00 0.00 O ATOM 716 OE2 GLU A 43 7.063 -5.438 -18.197 1.00 0.00 O ATOM 0 H GLU A 43 3.341 -2.425 -21.975 1.00 0.00 H new ATOM 0 HA GLU A 43 2.482 -4.409 -19.956 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.720 -4.989 -21.135 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.354 -3.554 -20.353 1.00 0.00 H new ATOM 0 HG2 GLU A 43 4.753 -4.466 -18.129 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.027 -5.873 -18.878 1.00 0.00 H new ATOM 723 N ILE A 44 2.718 -2.566 -18.226 1.00 0.00 N ATOM 724 CA ILE A 44 2.513 -1.475 -17.290 1.00 0.00 C ATOM 725 C ILE A 44 3.066 -1.977 -15.954 1.00 0.00 C ATOM 726 O ILE A 44 2.857 -3.145 -15.618 1.00 0.00 O ATOM 727 CB ILE A 44 1.003 -1.132 -17.183 1.00 0.00 C ATOM 728 CG1 ILE A 44 0.197 -1.285 -18.502 1.00 0.00 C ATOM 729 CG2 ILE A 44 0.863 0.283 -16.598 1.00 0.00 C ATOM 730 CD1 ILE A 44 -1.287 -0.910 -18.403 1.00 0.00 C ATOM 0 H ILE A 44 2.503 -3.479 -17.824 1.00 0.00 H new ATOM 0 HA ILE A 44 3.014 -0.560 -17.607 1.00 0.00 H new ATOM 0 HB ILE A 44 0.556 -1.873 -16.520 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.662 -0.665 -19.268 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.273 -2.319 -18.839 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.193 0.540 -16.516 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.322 0.315 -15.610 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.361 0.998 -17.253 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.763 -1.050 -19.373 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.775 -1.546 -17.664 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.379 0.133 -18.101 1.00 0.00 H new ATOM 742 N LEU A 45 3.760 -1.144 -15.180 1.00 0.00 N ATOM 743 CA LEU A 45 4.289 -1.546 -13.873 1.00 0.00 C ATOM 744 C LEU A 45 4.326 -0.297 -13.014 1.00 0.00 C ATOM 745 O LEU A 45 4.942 0.675 -13.438 1.00 0.00 O ATOM 746 CB LEU A 45 5.693 -2.152 -14.063 1.00 0.00 C ATOM 747 CG LEU A 45 6.315 -2.812 -12.813 1.00 0.00 C ATOM 748 CD1 LEU A 45 7.587 -3.557 -13.232 1.00 0.00 C ATOM 749 CD2 LEU A 45 6.689 -1.820 -11.703 1.00 0.00 C ATOM 0 H LEU A 45 3.971 -0.179 -15.436 1.00 0.00 H new ATOM 0 HA LEU A 45 3.671 -2.304 -13.391 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.642 -2.897 -14.857 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.364 -1.365 -14.407 1.00 0.00 H new ATOM 0 HG LEU A 45 5.554 -3.478 -12.405 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.037 -4.028 -12.358 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.336 -4.321 -13.967 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.294 -2.852 -13.669 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.119 -2.362 -10.861 1.00 0.00 H new ATOM 0 HD22 LEU A 45 7.418 -1.105 -12.085 1.00 0.00 H new ATOM 0 HD23 LEU A 45 5.796 -1.288 -11.374 1.00 0.00 H new ATOM 761 N ALA A 46 3.686 -0.292 -11.842 1.00 0.00 N ATOM 762 CA ALA A 46 3.685 0.862 -10.951 1.00 0.00 C ATOM 763 C ALA A 46 3.598 0.424 -9.495 1.00 0.00 C ATOM 764 O ALA A 46 3.159 -0.690 -9.202 1.00 0.00 O ATOM 765 CB ALA A 46 2.497 1.779 -11.277 1.00 0.00 C ATOM 0 H ALA A 46 3.156 -1.088 -11.488 1.00 0.00 H new ATOM 0 HA ALA A 46 4.619 1.404 -11.100 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.505 2.638 -10.606 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.576 2.123 -12.308 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.566 1.227 -11.149 1.00 0.00 H new ATOM 771 N GLU A 47 3.955 1.337 -8.594 1.00 0.00 N ATOM 772 CA GLU A 47 3.802 1.210 -7.153 1.00 0.00 C ATOM 773 C GLU A 47 2.805 2.259 -6.644 1.00 0.00 C ATOM 774 O GLU A 47 2.578 3.286 -7.295 1.00 0.00 O ATOM 775 CB GLU A 47 5.162 1.303 -6.443 1.00 0.00 C ATOM 776 CG GLU A 47 5.933 2.612 -6.689 1.00 0.00 C ATOM 777 CD GLU A 47 7.121 2.748 -5.721 1.00 0.00 C ATOM 778 OE1 GLU A 47 8.034 1.892 -5.762 1.00 0.00 O ATOM 779 OE2 GLU A 47 7.127 3.696 -4.903 1.00 0.00 O ATOM 0 H GLU A 47 4.378 2.225 -8.865 1.00 0.00 H new ATOM 0 HA GLU A 47 3.399 0.225 -6.920 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.004 1.187 -5.371 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.782 0.467 -6.766 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.294 2.637 -7.717 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.261 3.462 -6.566 1.00 0.00 H new ATOM 786 N GLY A 48 2.198 1.993 -5.485 1.00 0.00 N ATOM 787 CA GLY A 48 1.152 2.828 -4.906 1.00 0.00 C ATOM 788 C GLY A 48 0.396 2.095 -3.797 1.00 0.00 C ATOM 789 O GLY A 48 0.782 0.982 -3.429 1.00 0.00 O ATOM 0 H GLY A 48 2.426 1.178 -4.916 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.594 3.740 -4.504 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.453 3.129 -5.686 1.00 0.00 H new ATOM 793 N PRO A 49 -0.649 2.706 -3.214 1.00 0.00 N ATOM 794 CA PRO A 49 -1.519 2.017 -2.274 1.00 0.00 C ATOM 795 C PRO A 49 -2.425 1.023 -3.011 1.00 0.00 C ATOM 796 O PRO A 49 -2.761 1.215 -4.182 1.00 0.00 O ATOM 797 CB PRO A 49 -2.280 3.115 -1.531 1.00 0.00 C ATOM 798 CG PRO A 49 -2.264 4.314 -2.478 1.00 0.00 C ATOM 799 CD PRO A 49 -1.064 4.089 -3.402 1.00 0.00 C ATOM 0 HA PRO A 49 -0.970 1.408 -1.556 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.300 2.805 -1.304 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.801 3.355 -0.582 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.191 4.377 -3.047 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.165 5.249 -1.926 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.335 4.275 -4.441 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.252 4.774 -3.157 1.00 0.00 H new ATOM 807 N GLU A 50 -2.827 -0.044 -2.315 1.00 0.00 N ATOM 808 CA GLU A 50 -3.521 -1.195 -2.894 1.00 0.00 C ATOM 809 C GLU A 50 -4.813 -0.769 -3.598 1.00 0.00 C ATOM 810 O GLU A 50 -5.036 -1.139 -4.751 1.00 0.00 O ATOM 811 CB GLU A 50 -3.789 -2.213 -1.768 1.00 0.00 C ATOM 812 CG GLU A 50 -4.458 -3.515 -2.235 1.00 0.00 C ATOM 813 CD GLU A 50 -4.771 -4.445 -1.047 1.00 0.00 C ATOM 814 OE1 GLU A 50 -5.876 -4.342 -0.466 1.00 0.00 O ATOM 815 OE2 GLU A 50 -3.922 -5.293 -0.686 1.00 0.00 O ATOM 0 H GLU A 50 -2.675 -0.132 -1.310 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.898 -1.659 -3.659 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.844 -2.458 -1.284 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.421 -1.744 -1.014 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.379 -3.281 -2.768 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.804 -4.029 -2.939 1.00 0.00 H new ATOM 822 N ASN A 51 -5.646 0.040 -2.934 1.00 0.00 N ATOM 823 CA ASN A 51 -6.933 0.459 -3.491 1.00 0.00 C ATOM 824 C ASN A 51 -6.745 1.313 -4.744 1.00 0.00 C ATOM 825 O ASN A 51 -7.483 1.151 -5.716 1.00 0.00 O ATOM 826 CB ASN A 51 -7.745 1.240 -2.449 1.00 0.00 C ATOM 827 CG ASN A 51 -9.071 1.711 -3.047 1.00 0.00 C ATOM 828 OD1 ASN A 51 -9.956 0.907 -3.327 1.00 0.00 O ATOM 829 ND2 ASN A 51 -9.239 3.006 -3.260 1.00 0.00 N ATOM 0 H ASN A 51 -5.449 0.418 -2.007 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.479 -0.443 -3.767 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.935 0.610 -1.580 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -7.171 2.099 -2.101 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.112 3.348 -3.662 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -8.495 3.663 -3.023 1.00 0.00 H new ATOM 836 N ALA A 52 -5.753 2.211 -4.737 1.00 0.00 N ATOM 837 CA ALA A 52 -5.470 3.074 -5.877 1.00 0.00 C ATOM 838 C ALA A 52 -5.035 2.232 -7.074 1.00 0.00 C ATOM 839 O ALA A 52 -5.562 2.393 -8.176 1.00 0.00 O ATOM 840 CB ALA A 52 -4.364 4.061 -5.499 1.00 0.00 C ATOM 0 H ALA A 52 -5.130 2.355 -3.943 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.370 3.625 -6.148 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.149 4.709 -6.349 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.690 4.667 -4.654 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.464 3.511 -5.225 1.00 0.00 H new ATOM 846 N LEU A 53 -4.094 1.314 -6.848 1.00 0.00 N ATOM 847 CA LEU A 53 -3.563 0.445 -7.888 1.00 0.00 C ATOM 848 C LEU A 53 -4.668 -0.432 -8.465 1.00 0.00 C ATOM 849 O LEU A 53 -4.774 -0.570 -9.679 1.00 0.00 O ATOM 850 CB LEU A 53 -2.432 -0.414 -7.311 1.00 0.00 C ATOM 851 CG LEU A 53 -1.115 0.355 -7.084 1.00 0.00 C ATOM 852 CD1 LEU A 53 -0.257 -0.490 -6.156 1.00 0.00 C ATOM 853 CD2 LEU A 53 -0.310 0.634 -8.355 1.00 0.00 C ATOM 0 H LEU A 53 -3.679 1.155 -5.930 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.163 1.057 -8.697 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.760 -0.840 -6.363 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.242 -1.248 -7.986 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.379 1.330 -6.673 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.688 0.020 -5.969 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.781 -0.640 -5.212 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.062 -1.457 -6.621 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.599 1.178 -8.098 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.045 -0.309 -8.832 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.909 1.232 -9.041 1.00 0.00 H new ATOM 865 N GLN A 54 -5.523 -1.005 -7.624 1.00 0.00 N ATOM 866 CA GLN A 54 -6.597 -1.865 -8.102 1.00 0.00 C ATOM 867 C GLN A 54 -7.656 -1.061 -8.867 1.00 0.00 C ATOM 868 O GLN A 54 -8.162 -1.535 -9.882 1.00 0.00 O ATOM 869 CB GLN A 54 -7.176 -2.687 -6.941 1.00 0.00 C ATOM 870 CG GLN A 54 -6.157 -3.755 -6.497 1.00 0.00 C ATOM 871 CD GLN A 54 -6.605 -4.607 -5.306 1.00 0.00 C ATOM 872 OE1 GLN A 54 -7.657 -4.402 -4.703 1.00 0.00 O ATOM 873 NE2 GLN A 54 -5.809 -5.601 -4.949 1.00 0.00 N ATOM 0 H GLN A 54 -5.492 -0.889 -6.611 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.192 -2.577 -8.821 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.417 -2.031 -6.104 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.106 -3.165 -7.250 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.950 -4.414 -7.341 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -5.220 -3.260 -6.241 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.938 -5.764 -5.455 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.066 -6.205 -4.168 1.00 0.00 H new ATOM 882 N SER A 55 -7.939 0.177 -8.456 1.00 0.00 N ATOM 883 CA SER A 55 -8.836 1.063 -9.196 1.00 0.00 C ATOM 884 C SER A 55 -8.266 1.373 -10.589 1.00 0.00 C ATOM 885 O SER A 55 -8.997 1.348 -11.582 1.00 0.00 O ATOM 886 CB SER A 55 -9.077 2.352 -8.402 1.00 0.00 C ATOM 887 OG SER A 55 -9.592 2.076 -7.111 1.00 0.00 O ATOM 0 H SER A 55 -7.555 0.590 -7.606 1.00 0.00 H new ATOM 0 HA SER A 55 -9.792 0.558 -9.332 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.142 2.906 -8.312 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.774 2.990 -8.945 1.00 0.00 H new ATOM 0 HG SER A 55 -8.911 1.613 -6.579 1.00 0.00 H new ATOM 893 N PHE A 56 -6.955 1.609 -10.687 1.00 0.00 N ATOM 894 CA PHE A 56 -6.259 1.734 -11.956 1.00 0.00 C ATOM 895 C PHE A 56 -6.427 0.456 -12.780 1.00 0.00 C ATOM 896 O PHE A 56 -6.765 0.556 -13.955 1.00 0.00 O ATOM 897 CB PHE A 56 -4.788 2.085 -11.696 1.00 0.00 C ATOM 898 CG PHE A 56 -3.890 2.139 -12.916 1.00 0.00 C ATOM 899 CD1 PHE A 56 -3.512 0.959 -13.592 1.00 0.00 C ATOM 900 CD2 PHE A 56 -3.340 3.369 -13.315 1.00 0.00 C ATOM 901 CE1 PHE A 56 -2.616 1.014 -14.673 1.00 0.00 C ATOM 902 CE2 PHE A 56 -2.413 3.412 -14.364 1.00 0.00 C ATOM 903 CZ PHE A 56 -2.058 2.244 -15.053 1.00 0.00 C ATOM 0 H PHE A 56 -6.347 1.719 -9.875 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.691 2.543 -12.545 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.749 3.054 -11.198 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.378 1.353 -11.000 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.914 0.008 -13.276 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.632 4.280 -12.813 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.358 0.113 -15.209 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.967 4.355 -14.645 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.357 2.291 -15.874 1.00 0.00 H new ATOM 913 N VAL A 57 -6.236 -0.738 -12.205 1.00 0.00 N ATOM 914 CA VAL A 57 -6.399 -1.988 -12.949 1.00 0.00 C ATOM 915 C VAL A 57 -7.814 -2.055 -13.534 1.00 0.00 C ATOM 916 O VAL A 57 -7.955 -2.407 -14.706 1.00 0.00 O ATOM 917 CB VAL A 57 -6.051 -3.210 -12.065 1.00 0.00 C ATOM 918 CG1 VAL A 57 -6.398 -4.553 -12.730 1.00 0.00 C ATOM 919 CG2 VAL A 57 -4.555 -3.252 -11.716 1.00 0.00 C ATOM 0 H VAL A 57 -5.969 -0.862 -11.228 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.697 -2.013 -13.783 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.656 -3.082 -11.167 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.130 -5.370 -12.060 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.467 -4.590 -12.939 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.843 -4.651 -13.663 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.351 -4.124 -11.095 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -3.969 -3.315 -12.633 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.283 -2.347 -11.172 1.00 0.00 H new ATOM 929 N GLU A 58 -8.852 -1.663 -12.784 1.00 0.00 N ATOM 930 CA GLU A 58 -10.214 -1.624 -13.310 1.00 0.00 C ATOM 931 C GLU A 58 -10.331 -0.632 -14.471 1.00 0.00 C ATOM 932 O GLU A 58 -10.961 -0.946 -15.480 1.00 0.00 O ATOM 933 CB GLU A 58 -11.235 -1.291 -12.211 1.00 0.00 C ATOM 934 CG GLU A 58 -11.340 -2.404 -11.164 1.00 0.00 C ATOM 935 CD GLU A 58 -12.467 -2.128 -10.153 1.00 0.00 C ATOM 936 OE1 GLU A 58 -12.240 -1.412 -9.151 1.00 0.00 O ATOM 937 OE2 GLU A 58 -13.594 -2.641 -10.341 1.00 0.00 O ATOM 0 H GLU A 58 -8.770 -1.369 -11.811 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.442 -2.621 -13.688 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -10.949 -0.360 -11.722 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.213 -1.126 -12.663 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.523 -3.356 -11.662 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.391 -2.497 -10.635 1.00 0.00 H new ATOM 944 N ALA A 59 -9.695 0.535 -14.361 1.00 0.00 N ATOM 945 CA ALA A 59 -9.672 1.547 -15.413 1.00 0.00 C ATOM 946 C ALA A 59 -9.041 1.010 -16.705 1.00 0.00 C ATOM 947 O ALA A 59 -9.559 1.287 -17.790 1.00 0.00 O ATOM 948 CB ALA A 59 -8.944 2.800 -14.908 1.00 0.00 C ATOM 0 H ALA A 59 -9.175 0.806 -13.526 1.00 0.00 H new ATOM 0 HA ALA A 59 -10.700 1.815 -15.659 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.928 3.554 -15.695 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.464 3.197 -14.036 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -7.921 2.541 -14.633 1.00 0.00 H new ATOM 954 N VAL A 60 -7.964 0.222 -16.615 1.00 0.00 N ATOM 955 CA VAL A 60 -7.375 -0.422 -17.790 1.00 0.00 C ATOM 956 C VAL A 60 -8.338 -1.502 -18.305 1.00 0.00 C ATOM 957 O VAL A 60 -8.719 -1.485 -19.477 1.00 0.00 O ATOM 958 CB VAL A 60 -5.970 -0.997 -17.481 1.00 0.00 C ATOM 959 CG1 VAL A 60 -5.286 -1.483 -18.765 1.00 0.00 C ATOM 960 CG2 VAL A 60 -5.030 0.041 -16.847 1.00 0.00 C ATOM 0 H VAL A 60 -7.484 0.016 -15.739 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.231 0.323 -18.573 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.139 -1.815 -16.781 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.301 -1.883 -18.524 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.891 -2.263 -19.227 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.179 -0.649 -19.458 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.060 -0.417 -16.652 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.904 0.882 -17.529 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.459 0.395 -15.910 1.00 0.00 H new ATOM 970 N LYS A 61 -8.766 -2.424 -17.433 1.00 0.00 N ATOM 971 CA LYS A 61 -9.561 -3.598 -17.796 1.00 0.00 C ATOM 972 C LYS A 61 -10.875 -3.207 -18.473 1.00 0.00 C ATOM 973 O LYS A 61 -11.295 -3.877 -19.416 1.00 0.00 O ATOM 974 CB LYS A 61 -9.799 -4.440 -16.529 1.00 0.00 C ATOM 975 CG LYS A 61 -10.529 -5.762 -16.813 1.00 0.00 C ATOM 976 CD LYS A 61 -10.616 -6.626 -15.546 1.00 0.00 C ATOM 977 CE LYS A 61 -11.350 -7.938 -15.856 1.00 0.00 C ATOM 978 NZ LYS A 61 -11.472 -8.811 -14.662 1.00 0.00 N ATOM 0 H LYS A 61 -8.563 -2.371 -16.435 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.013 -4.193 -18.527 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -8.840 -4.655 -16.057 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.381 -3.856 -15.816 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.532 -5.555 -17.186 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.005 -6.310 -17.596 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -9.615 -6.839 -15.172 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -11.141 -6.083 -14.760 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.344 -7.713 -16.242 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -10.817 -8.473 -16.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -11.974 -9.684 -14.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.524 -9.049 -14.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -12.004 -8.312 -13.920 1.00 0.00 H new ATOM 992 N ASN A 62 -11.514 -2.126 -18.018 1.00 0.00 N ATOM 993 CA ASN A 62 -12.772 -1.644 -18.583 1.00 0.00 C ATOM 994 C ASN A 62 -12.619 -1.184 -20.038 1.00 0.00 C ATOM 995 O ASN A 62 -13.604 -1.187 -20.776 1.00 0.00 O ATOM 996 CB ASN A 62 -13.330 -0.496 -17.730 1.00 0.00 C ATOM 997 CG ASN A 62 -14.694 -0.041 -18.246 1.00 0.00 C ATOM 998 OD1 ASN A 62 -15.666 -0.792 -18.207 1.00 0.00 O ATOM 999 ND2 ASN A 62 -14.806 1.183 -18.732 1.00 0.00 N ATOM 0 H ASN A 62 -11.169 -1.559 -17.243 1.00 0.00 H new ATOM 0 HA ASN A 62 -13.469 -2.482 -18.576 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.419 -0.819 -16.693 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.634 0.343 -17.743 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.706 1.513 -19.080 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -13.992 1.797 -18.759 1.00 0.00 H new ATOM 1006 N GLY A 63 -11.411 -0.797 -20.468 1.00 0.00 N ATOM 1007 CA GLY A 63 -11.188 -0.268 -21.809 1.00 0.00 C ATOM 1008 C GLY A 63 -11.985 1.019 -22.039 1.00 0.00 C ATOM 1009 O GLY A 63 -12.582 1.197 -23.101 1.00 0.00 O ATOM 0 H GLY A 63 -10.568 -0.844 -19.895 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.126 -0.071 -21.952 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.477 -1.014 -22.549 1.00 0.00 H new ATOM 1013 N SER A 64 -12.040 1.883 -21.020 1.00 0.00 N ATOM 1014 CA SER A 64 -12.805 3.124 -21.013 1.00 0.00 C ATOM 1015 C SER A 64 -12.545 4.073 -22.207 1.00 0.00 C ATOM 1016 O SER A 64 -13.524 4.619 -22.726 1.00 0.00 O ATOM 1017 CB SER A 64 -12.545 3.846 -19.681 1.00 0.00 C ATOM 1018 OG SER A 64 -12.557 2.928 -18.598 1.00 0.00 O ATOM 0 H SER A 64 -11.533 1.727 -20.149 1.00 0.00 H new ATOM 0 HA SER A 64 -13.852 2.842 -21.122 1.00 0.00 H new ATOM 0 HB2 SER A 64 -11.582 4.356 -19.721 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.305 4.611 -19.523 1.00 0.00 H new ATOM 0 HG SER A 64 -13.157 3.257 -17.897 1.00 0.00 H new ATOM 1024 N PRO A 65 -11.292 4.335 -22.638 1.00 0.00 N ATOM 1025 CA PRO A 65 -10.992 5.428 -23.564 1.00 0.00 C ATOM 1026 C PRO A 65 -11.099 4.991 -25.040 1.00 0.00 C ATOM 1027 O PRO A 65 -11.639 3.937 -25.375 1.00 0.00 O ATOM 1028 CB PRO A 65 -9.569 5.855 -23.171 1.00 0.00 C ATOM 1029 CG PRO A 65 -8.924 4.509 -22.879 1.00 0.00 C ATOM 1030 CD PRO A 65 -10.039 3.766 -22.145 1.00 0.00 C ATOM 0 HA PRO A 65 -11.704 6.250 -23.490 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -9.063 6.388 -23.976 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -9.562 6.511 -22.301 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -8.625 3.995 -23.792 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -8.030 4.611 -22.264 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.991 2.695 -22.344 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -9.950 3.894 -21.066 1.00 0.00 H new ATOM 1038 N PHE A 66 -10.536 5.817 -25.927 1.00 0.00 N ATOM 1039 CA PHE A 66 -10.344 5.617 -27.366 1.00 0.00 C ATOM 1040 C PHE A 66 -9.524 4.367 -27.764 1.00 0.00 C ATOM 1041 O PHE A 66 -9.345 4.115 -28.958 1.00 0.00 O ATOM 1042 CB PHE A 66 -9.701 6.905 -27.924 1.00 0.00 C ATOM 1043 CG PHE A 66 -8.615 7.548 -27.062 1.00 0.00 C ATOM 1044 CD1 PHE A 66 -7.530 6.793 -26.567 1.00 0.00 C ATOM 1045 CD2 PHE A 66 -8.700 8.916 -26.732 1.00 0.00 C ATOM 1046 CE1 PHE A 66 -6.563 7.387 -25.739 1.00 0.00 C ATOM 1047 CE2 PHE A 66 -7.723 9.515 -25.917 1.00 0.00 C ATOM 1048 CZ PHE A 66 -6.655 8.751 -25.415 1.00 0.00 C ATOM 0 H PHE A 66 -10.171 6.722 -25.630 1.00 0.00 H new ATOM 0 HA PHE A 66 -11.324 5.422 -27.802 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -9.273 6.678 -28.901 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.490 7.640 -28.084 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -7.442 5.749 -26.827 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -9.521 9.508 -27.108 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.748 6.794 -25.351 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -7.793 10.565 -25.676 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.909 9.210 -24.783 1.00 0.00 H new ATOM 1058 N SER A 67 -9.031 3.588 -26.801 1.00 0.00 N ATOM 1059 CA SER A 67 -8.184 2.413 -26.973 1.00 0.00 C ATOM 1060 C SER A 67 -8.643 1.394 -25.923 1.00 0.00 C ATOM 1061 O SER A 67 -9.116 1.795 -24.856 1.00 0.00 O ATOM 1062 CB SER A 67 -6.719 2.823 -26.765 1.00 0.00 C ATOM 1063 OG SER A 67 -6.284 3.707 -27.788 1.00 0.00 O ATOM 0 H SER A 67 -9.227 3.775 -25.818 1.00 0.00 H new ATOM 0 HA SER A 67 -8.263 1.979 -27.970 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.607 3.304 -25.793 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.088 1.935 -26.755 1.00 0.00 H new ATOM 0 HG SER A 67 -5.306 3.679 -27.851 1.00 0.00 H new ATOM 1069 N LYS A 68 -8.555 0.090 -26.204 1.00 0.00 N ATOM 1070 CA LYS A 68 -9.117 -0.929 -25.313 1.00 0.00 C ATOM 1071 C LYS A 68 -8.368 -2.244 -25.432 1.00 0.00 C ATOM 1072 O LYS A 68 -7.792 -2.553 -26.478 1.00 0.00 O ATOM 1073 CB LYS A 68 -10.640 -1.100 -25.532 1.00 0.00 C ATOM 1074 CG LYS A 68 -11.113 -1.974 -26.706 1.00 0.00 C ATOM 1075 CD LYS A 68 -10.688 -1.472 -28.093 1.00 0.00 C ATOM 1076 CE LYS A 68 -11.297 -2.302 -29.234 1.00 0.00 C ATOM 1077 NZ LYS A 68 -12.764 -2.114 -29.377 1.00 0.00 N ATOM 0 H LYS A 68 -8.102 -0.283 -27.038 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.985 -0.581 -24.289 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.063 -1.514 -24.617 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.071 -0.107 -25.661 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -10.728 -2.984 -26.567 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -12.201 -2.040 -26.676 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -10.988 -0.430 -28.206 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.601 -1.500 -28.168 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -10.810 -2.032 -30.171 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -11.088 -3.357 -29.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.101 -2.632 -30.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.245 -2.476 -28.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -12.975 -1.102 -29.489 1.00 0.00 H new ATOM 1091 N VAL A 69 -8.419 -3.029 -24.363 1.00 0.00 N ATOM 1092 CA VAL A 69 -7.835 -4.356 -24.320 1.00 0.00 C ATOM 1093 C VAL A 69 -8.819 -5.361 -24.927 1.00 0.00 C ATOM 1094 O VAL A 69 -10.036 -5.162 -24.890 1.00 0.00 O ATOM 1095 CB VAL A 69 -7.459 -4.722 -22.866 1.00 0.00 C ATOM 1096 CG1 VAL A 69 -6.344 -3.797 -22.363 1.00 0.00 C ATOM 1097 CG2 VAL A 69 -8.629 -4.661 -21.868 1.00 0.00 C ATOM 0 H VAL A 69 -8.874 -2.755 -23.492 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.918 -4.381 -24.909 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.132 -5.761 -22.908 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.086 -4.062 -21.338 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.465 -3.907 -22.999 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -6.687 -2.763 -22.395 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.274 -4.933 -20.874 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.035 -3.650 -21.844 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.408 -5.357 -22.178 1.00 0.00 H new ATOM 1107 N THR A 70 -8.286 -6.473 -25.417 1.00 0.00 N ATOM 1108 CA THR A 70 -9.018 -7.698 -25.705 1.00 0.00 C ATOM 1109 C THR A 70 -8.418 -8.862 -24.892 1.00 0.00 C ATOM 1110 O THR A 70 -9.055 -9.910 -24.766 1.00 0.00 O ATOM 1111 CB THR A 70 -9.025 -7.965 -27.223 1.00 0.00 C ATOM 1112 OG1 THR A 70 -7.701 -7.995 -27.723 1.00 0.00 O ATOM 1113 CG2 THR A 70 -9.802 -6.883 -27.987 1.00 0.00 C ATOM 0 H THR A 70 -7.292 -6.548 -25.633 1.00 0.00 H new ATOM 0 HA THR A 70 -10.060 -7.596 -25.400 1.00 0.00 H new ATOM 0 HB THR A 70 -9.513 -8.928 -27.374 1.00 0.00 H new ATOM 0 HG1 THR A 70 -7.719 -8.167 -28.688 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.784 -7.107 -29.054 1.00 0.00 H new ATOM 0 HG22 THR A 70 -10.834 -6.862 -27.638 1.00 0.00 H new ATOM 0 HG23 THR A 70 -9.340 -5.911 -27.812 1.00 0.00 H new ATOM 1121 N ASP A 71 -7.242 -8.672 -24.276 1.00 0.00 N ATOM 1122 CA ASP A 71 -6.636 -9.588 -23.316 1.00 0.00 C ATOM 1123 C ASP A 71 -5.812 -8.769 -22.322 1.00 0.00 C ATOM 1124 O ASP A 71 -5.192 -7.768 -22.693 1.00 0.00 O ATOM 1125 CB ASP A 71 -5.736 -10.597 -24.041 1.00 0.00 C ATOM 1126 CG ASP A 71 -5.013 -11.514 -23.043 1.00 0.00 C ATOM 1127 OD1 ASP A 71 -5.698 -12.230 -22.278 1.00 0.00 O ATOM 1128 OD2 ASP A 71 -3.763 -11.541 -23.035 1.00 0.00 O ATOM 0 H ASP A 71 -6.671 -7.844 -24.443 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.413 -10.142 -22.790 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.336 -11.199 -24.723 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.003 -10.065 -24.647 1.00 0.00 H new ATOM 1133 N ILE A 72 -5.814 -9.179 -21.055 1.00 0.00 N ATOM 1134 CA ILE A 72 -5.109 -8.522 -19.964 1.00 0.00 C ATOM 1135 C ILE A 72 -4.703 -9.609 -18.966 1.00 0.00 C ATOM 1136 O ILE A 72 -5.482 -10.527 -18.692 1.00 0.00 O ATOM 1137 CB ILE A 72 -5.986 -7.397 -19.347 1.00 0.00 C ATOM 1138 CG1 ILE A 72 -5.278 -6.735 -18.138 1.00 0.00 C ATOM 1139 CG2 ILE A 72 -7.411 -7.851 -18.967 1.00 0.00 C ATOM 1140 CD1 ILE A 72 -5.885 -5.384 -17.726 1.00 0.00 C ATOM 0 H ILE A 72 -6.326 -10.008 -20.753 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.206 -8.018 -20.309 1.00 0.00 H new ATOM 0 HB ILE A 72 -6.109 -6.656 -20.137 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.319 -7.416 -17.288 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.225 -6.591 -18.380 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -7.960 -7.010 -18.543 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.928 -8.210 -19.857 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.353 -8.654 -18.232 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.336 -4.983 -16.874 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.819 -4.686 -18.561 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -6.931 -5.524 -17.451 1.00 0.00 H new ATOM 1152 N SER A 73 -3.498 -9.485 -18.414 1.00 0.00 N ATOM 1153 CA SER A 73 -2.945 -10.375 -17.404 1.00 0.00 C ATOM 1154 C SER A 73 -2.241 -9.490 -16.381 1.00 0.00 C ATOM 1155 O SER A 73 -1.532 -8.557 -16.761 1.00 0.00 O ATOM 1156 CB SER A 73 -1.956 -11.353 -18.054 1.00 0.00 C ATOM 1157 OG SER A 73 -2.581 -12.133 -19.065 1.00 0.00 O ATOM 0 H SER A 73 -2.859 -8.733 -18.670 1.00 0.00 H new ATOM 0 HA SER A 73 -3.723 -10.970 -16.925 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.123 -10.797 -18.485 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.539 -12.011 -17.291 1.00 0.00 H new ATOM 0 HG SER A 73 -1.924 -12.744 -19.460 1.00 0.00 H new ATOM 1163 N VAL A 74 -2.452 -9.753 -15.093 1.00 0.00 N ATOM 1164 CA VAL A 74 -2.038 -8.875 -14.013 1.00 0.00 C ATOM 1165 C VAL A 74 -1.384 -9.696 -12.898 1.00 0.00 C ATOM 1166 O VAL A 74 -1.781 -10.833 -12.626 1.00 0.00 O ATOM 1167 CB VAL A 74 -3.279 -8.065 -13.589 1.00 0.00 C ATOM 1168 CG1 VAL A 74 -4.400 -8.887 -12.935 1.00 0.00 C ATOM 1169 CG2 VAL A 74 -2.916 -6.876 -12.692 1.00 0.00 C ATOM 0 H VAL A 74 -2.924 -10.598 -14.770 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.270 -8.162 -14.314 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.680 -7.699 -14.534 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.228 -8.229 -12.673 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -4.748 -9.648 -13.634 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.020 -9.369 -12.034 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.823 -6.336 -12.419 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.424 -7.238 -11.789 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.243 -6.207 -13.229 1.00 0.00 H new ATOM 1179 N THR A 75 -0.377 -9.104 -12.263 1.00 0.00 N ATOM 1180 CA THR A 75 0.372 -9.644 -11.139 1.00 0.00 C ATOM 1181 C THR A 75 0.488 -8.506 -10.120 1.00 0.00 C ATOM 1182 O THR A 75 0.534 -7.334 -10.503 1.00 0.00 O ATOM 1183 CB THR A 75 1.752 -10.129 -11.638 1.00 0.00 C ATOM 1184 OG1 THR A 75 1.625 -10.960 -12.782 1.00 0.00 O ATOM 1185 CG2 THR A 75 2.519 -10.928 -10.577 1.00 0.00 C ATOM 0 H THR A 75 -0.044 -8.180 -12.538 1.00 0.00 H new ATOM 0 HA THR A 75 -0.115 -10.503 -10.677 1.00 0.00 H new ATOM 0 HB THR A 75 2.305 -9.221 -11.877 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.514 -11.250 -13.076 1.00 0.00 H new ATOM 0 HG21 THR A 75 3.480 -11.243 -10.983 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.683 -10.303 -9.699 1.00 0.00 H new ATOM 0 HG23 THR A 75 1.940 -11.807 -10.294 1.00 0.00 H new ATOM 1193 N GLU A 76 0.555 -8.829 -8.831 1.00 0.00 N ATOM 1194 CA GLU A 76 0.676 -7.861 -7.747 1.00 0.00 C ATOM 1195 C GLU A 76 1.762 -8.368 -6.796 1.00 0.00 C ATOM 1196 O GLU A 76 2.031 -9.573 -6.733 1.00 0.00 O ATOM 1197 CB GLU A 76 -0.669 -7.710 -7.011 1.00 0.00 C ATOM 1198 CG GLU A 76 -1.761 -7.027 -7.849 1.00 0.00 C ATOM 1199 CD GLU A 76 -3.122 -7.055 -7.129 1.00 0.00 C ATOM 1200 OE1 GLU A 76 -3.855 -8.063 -7.253 1.00 0.00 O ATOM 1201 OE2 GLU A 76 -3.481 -6.069 -6.447 1.00 0.00 O ATOM 0 H GLU A 76 0.526 -9.795 -8.505 1.00 0.00 H new ATOM 0 HA GLU A 76 0.945 -6.879 -8.137 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.020 -8.697 -6.709 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.511 -7.135 -6.099 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.475 -5.994 -8.050 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.848 -7.527 -8.814 1.00 0.00 H new ATOM 1208 N SER A 77 2.404 -7.465 -6.059 1.00 0.00 N ATOM 1209 CA SER A 77 3.382 -7.782 -5.021 1.00 0.00 C ATOM 1210 C SER A 77 3.418 -6.605 -4.050 1.00 0.00 C ATOM 1211 O SER A 77 3.222 -5.463 -4.462 1.00 0.00 O ATOM 1212 CB SER A 77 4.764 -8.000 -5.655 1.00 0.00 C ATOM 1213 OG SER A 77 4.747 -9.126 -6.516 1.00 0.00 O ATOM 0 H SER A 77 2.254 -6.462 -6.171 1.00 0.00 H new ATOM 0 HA SER A 77 3.108 -8.696 -4.495 1.00 0.00 H new ATOM 0 HB2 SER A 77 5.057 -7.112 -6.215 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.510 -8.145 -4.873 1.00 0.00 H new ATOM 0 HG SER A 77 3.837 -9.486 -6.566 1.00 0.00 H new ATOM 1219 N ARG A 78 3.647 -6.852 -2.756 1.00 0.00 N ATOM 1220 CA ARG A 78 3.629 -5.766 -1.770 1.00 0.00 C ATOM 1221 C ARG A 78 4.857 -4.859 -1.930 1.00 0.00 C ATOM 1222 O ARG A 78 4.792 -3.674 -1.609 1.00 0.00 O ATOM 1223 CB ARG A 78 3.520 -6.289 -0.322 1.00 0.00 C ATOM 1224 CG ARG A 78 2.643 -7.536 -0.084 1.00 0.00 C ATOM 1225 CD ARG A 78 1.158 -7.347 -0.411 1.00 0.00 C ATOM 1226 NE ARG A 78 0.472 -6.519 0.604 1.00 0.00 N ATOM 1227 CZ ARG A 78 -0.841 -6.250 0.647 1.00 0.00 C ATOM 1228 NH1 ARG A 78 -1.693 -6.841 -0.185 1.00 0.00 N ATOM 1229 NH2 ARG A 78 -1.312 -5.362 1.515 1.00 0.00 N ATOM 0 H ARG A 78 3.844 -7.776 -2.372 1.00 0.00 H new ATOM 0 HA ARG A 78 2.733 -5.176 -1.965 1.00 0.00 H new ATOM 0 HB2 ARG A 78 4.526 -6.512 0.033 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.134 -5.481 0.300 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.032 -8.357 -0.686 1.00 0.00 H new ATOM 0 HG3 ARG A 78 2.736 -7.835 0.960 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.058 -6.878 -1.390 1.00 0.00 H new ATOM 0 HD3 ARG A 78 0.673 -8.321 -0.473 1.00 0.00 H new ATOM 0 HE ARG A 78 1.051 -6.115 1.340 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -1.352 -7.513 -0.872 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.688 -6.623 -0.136 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.675 -4.883 2.151 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.311 -5.159 1.546 1.00 0.00 H new ATOM 1243 N SER A 79 5.975 -5.409 -2.408 1.00 0.00 N ATOM 1244 CA SER A 79 7.260 -4.731 -2.498 1.00 0.00 C ATOM 1245 C SER A 79 7.191 -3.508 -3.420 1.00 0.00 C ATOM 1246 O SER A 79 6.894 -3.635 -4.610 1.00 0.00 O ATOM 1247 CB SER A 79 8.307 -5.734 -3.002 1.00 0.00 C ATOM 1248 OG SER A 79 8.206 -6.964 -2.292 1.00 0.00 O ATOM 0 H SER A 79 6.007 -6.368 -2.753 1.00 0.00 H new ATOM 0 HA SER A 79 7.540 -4.365 -1.510 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.165 -5.911 -4.068 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.307 -5.317 -2.878 1.00 0.00 H new ATOM 0 HG SER A 79 8.880 -7.592 -2.628 1.00 0.00 H new ATOM 1254 N LEU A 80 7.513 -2.328 -2.883 1.00 0.00 N ATOM 1255 CA LEU A 80 7.831 -1.139 -3.677 1.00 0.00 C ATOM 1256 C LEU A 80 9.120 -1.388 -4.471 1.00 0.00 C ATOM 1257 O LEU A 80 9.873 -2.319 -4.168 1.00 0.00 O ATOM 1258 CB LEU A 80 7.960 0.088 -2.752 1.00 0.00 C ATOM 1259 CG LEU A 80 6.632 0.850 -2.567 1.00 0.00 C ATOM 1260 CD1 LEU A 80 5.469 -0.024 -2.088 1.00 0.00 C ATOM 1261 CD2 LEU A 80 6.827 2.003 -1.575 1.00 0.00 C ATOM 0 H LEU A 80 7.561 -2.170 -1.876 1.00 0.00 H new ATOM 0 HA LEU A 80 7.028 -0.936 -4.386 1.00 0.00 H new ATOM 0 HB2 LEU A 80 8.324 -0.236 -1.777 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.707 0.767 -3.162 1.00 0.00 H new ATOM 0 HG LEU A 80 6.362 1.219 -3.557 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.573 0.588 -1.983 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.285 -0.815 -2.815 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.720 -0.468 -1.125 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.885 2.537 -1.449 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.150 1.605 -0.613 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.584 2.688 -1.957 1.00 0.00 H new ATOM 1273 N GLU A 81 9.387 -0.559 -5.482 1.00 0.00 N ATOM 1274 CA GLU A 81 10.446 -0.807 -6.461 1.00 0.00 C ATOM 1275 C GLU A 81 11.217 0.454 -6.884 1.00 0.00 C ATOM 1276 O GLU A 81 12.319 0.317 -7.421 1.00 0.00 O ATOM 1277 CB GLU A 81 9.875 -1.613 -7.641 1.00 0.00 C ATOM 1278 CG GLU A 81 8.788 -0.911 -8.472 1.00 0.00 C ATOM 1279 CD GLU A 81 9.380 0.094 -9.473 1.00 0.00 C ATOM 1280 OE1 GLU A 81 10.004 -0.333 -10.473 1.00 0.00 O ATOM 1281 OE2 GLU A 81 9.225 1.312 -9.251 1.00 0.00 O ATOM 0 H GLU A 81 8.872 0.307 -5.645 1.00 0.00 H new ATOM 0 HA GLU A 81 11.214 -1.411 -5.978 1.00 0.00 H new ATOM 0 HB2 GLU A 81 10.697 -1.879 -8.305 1.00 0.00 H new ATOM 0 HB3 GLU A 81 9.463 -2.545 -7.254 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.206 -1.658 -9.011 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.100 -0.393 -7.804 1.00 0.00 H new ATOM 1288 N GLY A 82 10.724 1.661 -6.582 1.00 0.00 N ATOM 1289 CA GLY A 82 11.538 2.871 -6.515 1.00 0.00 C ATOM 1290 C GLY A 82 11.044 4.047 -7.362 1.00 0.00 C ATOM 1291 O GLY A 82 11.577 5.146 -7.188 1.00 0.00 O ATOM 0 H GLY A 82 9.738 1.822 -6.376 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.594 3.193 -5.475 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.553 2.623 -6.826 1.00 0.00 H new ATOM 1295 N HIS A 83 10.079 3.864 -8.273 1.00 0.00 N ATOM 1296 CA HIS A 83 9.578 4.959 -9.109 1.00 0.00 C ATOM 1297 C HIS A 83 9.040 6.115 -8.254 1.00 0.00 C ATOM 1298 O HIS A 83 8.417 5.898 -7.211 1.00 0.00 O ATOM 1299 CB HIS A 83 8.491 4.478 -10.087 1.00 0.00 C ATOM 1300 CG HIS A 83 8.988 4.301 -11.499 1.00 0.00 C ATOM 1301 ND1 HIS A 83 8.687 5.113 -12.573 1.00 0.00 N ATOM 1302 CD2 HIS A 83 9.820 3.316 -11.959 1.00 0.00 C ATOM 1303 CE1 HIS A 83 9.317 4.622 -13.650 1.00 0.00 C ATOM 1304 NE2 HIS A 83 10.029 3.526 -13.329 1.00 0.00 N ATOM 0 H HIS A 83 9.630 2.965 -8.449 1.00 0.00 H new ATOM 0 HA HIS A 83 10.425 5.322 -9.692 1.00 0.00 H new ATOM 0 HB2 HIS A 83 8.087 3.530 -9.731 1.00 0.00 H new ATOM 0 HB3 HIS A 83 7.670 5.195 -10.086 1.00 0.00 H new ATOM 0 HD1 HIS A 83 8.091 5.940 -12.552 1.00 0.00 H new ATOM 0 HD2 HIS A 83 10.242 2.516 -11.369 1.00 0.00 H new ATOM 0 HE1 HIS A 83 9.261 5.048 -14.641 1.00 0.00 H new ATOM 1312 N HIS A 84 9.219 7.342 -8.756 1.00 0.00 N ATOM 1313 CA HIS A 84 8.721 8.577 -8.147 1.00 0.00 C ATOM 1314 C HIS A 84 8.015 9.467 -9.192 1.00 0.00 C ATOM 1315 O HIS A 84 7.640 10.604 -8.904 1.00 0.00 O ATOM 1316 CB HIS A 84 9.895 9.286 -7.445 1.00 0.00 C ATOM 1317 CG HIS A 84 9.479 10.353 -6.460 1.00 0.00 C ATOM 1318 ND1 HIS A 84 8.914 10.145 -5.219 1.00 0.00 N ATOM 1319 CD2 HIS A 84 9.608 11.708 -6.621 1.00 0.00 C ATOM 1320 CE1 HIS A 84 8.706 11.344 -4.650 1.00 0.00 C ATOM 1321 NE2 HIS A 84 9.114 12.334 -5.468 1.00 0.00 N ATOM 0 H HIS A 84 9.730 7.506 -9.623 1.00 0.00 H new ATOM 0 HA HIS A 84 7.963 8.350 -7.398 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.494 8.540 -6.923 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.536 9.737 -8.202 1.00 0.00 H new ATOM 0 HD2 HIS A 84 10.019 12.207 -7.486 1.00 0.00 H new ATOM 0 HE1 HIS A 84 8.272 11.494 -3.672 1.00 0.00 H new ATOM 0 HE2 HIS A 84 9.072 13.337 -5.285 1.00 0.00 H new ATOM 1329 N ARG A 85 7.815 8.951 -10.413 1.00 0.00 N ATOM 1330 CA ARG A 85 7.069 9.585 -11.497 1.00 0.00 C ATOM 1331 C ARG A 85 6.426 8.493 -12.348 1.00 0.00 C ATOM 1332 O ARG A 85 6.830 7.329 -12.259 1.00 0.00 O ATOM 1333 CB ARG A 85 7.998 10.477 -12.347 1.00 0.00 C ATOM 1334 CG ARG A 85 9.240 9.749 -12.905 1.00 0.00 C ATOM 1335 CD ARG A 85 9.885 10.518 -14.065 1.00 0.00 C ATOM 1336 NE ARG A 85 8.998 10.512 -15.239 1.00 0.00 N ATOM 1337 CZ ARG A 85 8.868 11.466 -16.162 1.00 0.00 C ATOM 1338 NH1 ARG A 85 9.727 12.479 -16.232 1.00 0.00 N ATOM 1339 NH2 ARG A 85 7.849 11.384 -17.009 1.00 0.00 N ATOM 0 H ARG A 85 8.188 8.039 -10.679 1.00 0.00 H new ATOM 0 HA ARG A 85 6.291 10.228 -11.085 1.00 0.00 H new ATOM 0 HB2 ARG A 85 7.427 10.887 -13.180 1.00 0.00 H new ATOM 0 HB3 ARG A 85 8.328 11.321 -11.740 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.971 9.616 -12.107 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.954 8.753 -13.245 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.089 11.545 -13.761 1.00 0.00 H new ATOM 0 HD3 ARG A 85 10.843 10.065 -14.322 1.00 0.00 H new ATOM 0 HE ARG A 85 8.416 9.683 -15.361 1.00 0.00 H new ATOM 0 HH11 ARG A 85 10.503 12.536 -15.572 1.00 0.00 H new ATOM 0 HH12 ARG A 85 9.610 13.199 -16.945 1.00 0.00 H new ATOM 0 HH21 ARG A 85 7.192 10.607 -16.943 1.00 0.00 H new ATOM 0 HH22 ARG A 85 7.723 12.098 -17.726 1.00 0.00 H new ATOM 1353 N PHE A 86 5.453 8.857 -13.179 1.00 0.00 N ATOM 1354 CA PHE A 86 4.988 8.010 -14.269 1.00 0.00 C ATOM 1355 C PHE A 86 5.915 8.230 -15.470 1.00 0.00 C ATOM 1356 O PHE A 86 6.356 9.359 -15.708 1.00 0.00 O ATOM 1357 CB PHE A 86 3.521 8.329 -14.602 1.00 0.00 C ATOM 1358 CG PHE A 86 3.208 9.799 -14.829 1.00 0.00 C ATOM 1359 CD1 PHE A 86 3.380 10.378 -16.101 1.00 0.00 C ATOM 1360 CD2 PHE A 86 2.763 10.595 -13.754 1.00 0.00 C ATOM 1361 CE1 PHE A 86 3.118 11.746 -16.295 1.00 0.00 C ATOM 1362 CE2 PHE A 86 2.516 11.965 -13.947 1.00 0.00 C ATOM 1363 CZ PHE A 86 2.690 12.542 -15.218 1.00 0.00 C ATOM 0 H PHE A 86 4.965 9.750 -13.114 1.00 0.00 H new ATOM 0 HA PHE A 86 5.022 6.958 -13.985 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.240 7.773 -15.496 1.00 0.00 H new ATOM 0 HB3 PHE A 86 2.894 7.963 -13.789 1.00 0.00 H new ATOM 0 HD1 PHE A 86 3.714 9.770 -16.929 1.00 0.00 H new ATOM 0 HD2 PHE A 86 2.612 10.152 -12.781 1.00 0.00 H new ATOM 0 HE1 PHE A 86 3.246 12.186 -17.273 1.00 0.00 H new ATOM 0 HE2 PHE A 86 2.192 12.576 -13.118 1.00 0.00 H new ATOM 0 HZ PHE A 86 2.495 13.594 -15.366 1.00 0.00 H new ATOM 1373 N SER A 87 6.190 7.183 -16.246 1.00 0.00 N ATOM 1374 CA SER A 87 7.134 7.226 -17.359 1.00 0.00 C ATOM 1375 C SER A 87 6.636 6.362 -18.519 1.00 0.00 C ATOM 1376 O SER A 87 5.812 5.458 -18.336 1.00 0.00 O ATOM 1377 CB SER A 87 8.514 6.760 -16.873 1.00 0.00 C ATOM 1378 OG SER A 87 8.936 7.516 -15.747 1.00 0.00 O ATOM 0 H SER A 87 5.757 6.269 -16.117 1.00 0.00 H new ATOM 0 HA SER A 87 7.218 8.250 -17.724 1.00 0.00 H new ATOM 0 HB2 SER A 87 8.474 5.702 -16.612 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.241 6.862 -17.678 1.00 0.00 H new ATOM 0 HG SER A 87 9.816 7.201 -15.453 1.00 0.00 H new ATOM 1384 N ILE A 88 7.117 6.645 -19.727 1.00 0.00 N ATOM 1385 CA ILE A 88 6.608 6.067 -20.962 1.00 0.00 C ATOM 1386 C ILE A 88 7.835 5.672 -21.785 1.00 0.00 C ATOM 1387 O ILE A 88 8.785 6.452 -21.897 1.00 0.00 O ATOM 1388 CB ILE A 88 5.701 7.091 -21.702 1.00 0.00 C ATOM 1389 CG1 ILE A 88 4.571 7.636 -20.794 1.00 0.00 C ATOM 1390 CG2 ILE A 88 5.094 6.433 -22.951 1.00 0.00 C ATOM 1391 CD1 ILE A 88 3.589 8.612 -21.458 1.00 0.00 C ATOM 0 H ILE A 88 7.888 7.297 -19.875 1.00 0.00 H new ATOM 0 HA ILE A 88 5.984 5.192 -20.780 1.00 0.00 H new ATOM 0 HB ILE A 88 6.325 7.937 -21.989 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.005 6.790 -20.404 1.00 0.00 H new ATOM 0 HG13 ILE A 88 5.027 8.135 -19.939 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.459 7.152 -23.469 1.00 0.00 H new ATOM 0 HG22 ILE A 88 5.894 6.110 -23.617 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.498 5.570 -22.654 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.842 8.928 -20.730 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.133 9.484 -21.822 1.00 0.00 H new ATOM 0 HD13 ILE A 88 3.094 8.118 -22.294 1.00 0.00 H new ATOM 1403 N VAL A 89 7.809 4.477 -22.370 1.00 0.00 N ATOM 1404 CA VAL A 89 8.852 3.969 -23.248 1.00 0.00 C ATOM 1405 C VAL A 89 8.167 3.171 -24.364 1.00 0.00 C ATOM 1406 O VAL A 89 7.156 2.508 -24.137 1.00 0.00 O ATOM 1407 CB VAL A 89 9.896 3.186 -22.407 1.00 0.00 C ATOM 1408 CG1 VAL A 89 9.301 2.124 -21.465 1.00 0.00 C ATOM 1409 CG2 VAL A 89 10.979 2.541 -23.284 1.00 0.00 C ATOM 0 H VAL A 89 7.040 3.820 -22.241 1.00 0.00 H new ATOM 0 HA VAL A 89 9.425 4.758 -23.735 1.00 0.00 H new ATOM 0 HB VAL A 89 10.343 3.952 -21.774 1.00 0.00 H new ATOM 0 HG11 VAL A 89 10.105 1.630 -20.920 1.00 0.00 H new ATOM 0 HG12 VAL A 89 8.624 2.603 -20.758 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.752 1.386 -22.050 1.00 0.00 H new ATOM 0 HG21 VAL A 89 11.687 2.004 -22.652 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.515 1.844 -23.982 1.00 0.00 H new ATOM 0 HG23 VAL A 89 11.505 3.316 -23.841 1.00 0.00 H new ATOM 1419 N TYR A 90 8.687 3.266 -25.590 1.00 0.00 N ATOM 1420 CA TYR A 90 8.154 2.564 -26.761 1.00 0.00 C ATOM 1421 C TYR A 90 9.247 2.294 -27.813 1.00 0.00 C ATOM 1422 O TYR A 90 8.939 1.907 -28.943 1.00 0.00 O ATOM 1423 CB TYR A 90 6.971 3.362 -27.345 1.00 0.00 C ATOM 1424 CG TYR A 90 7.303 4.766 -27.825 1.00 0.00 C ATOM 1425 CD1 TYR A 90 7.288 5.846 -26.920 1.00 0.00 C ATOM 1426 CD2 TYR A 90 7.618 4.996 -29.179 1.00 0.00 C ATOM 1427 CE1 TYR A 90 7.591 7.146 -27.360 1.00 0.00 C ATOM 1428 CE2 TYR A 90 7.923 6.294 -29.627 1.00 0.00 C ATOM 1429 CZ TYR A 90 7.910 7.377 -28.718 1.00 0.00 C ATOM 1430 OH TYR A 90 8.203 8.643 -29.134 1.00 0.00 O ATOM 0 H TYR A 90 9.502 3.841 -25.801 1.00 0.00 H new ATOM 0 HA TYR A 90 7.790 1.585 -26.448 1.00 0.00 H new ATOM 0 HB2 TYR A 90 6.553 2.800 -28.181 1.00 0.00 H new ATOM 0 HB3 TYR A 90 6.192 3.431 -26.586 1.00 0.00 H new ATOM 0 HD1 TYR A 90 7.042 5.674 -25.883 1.00 0.00 H new ATOM 0 HD2 TYR A 90 7.625 4.171 -29.876 1.00 0.00 H new ATOM 0 HE1 TYR A 90 7.580 7.969 -26.661 1.00 0.00 H new ATOM 0 HE2 TYR A 90 8.167 6.463 -30.665 1.00 0.00 H new ATOM 0 HH TYR A 90 8.402 8.634 -30.094 1.00 0.00 H new ATOM 1440 N SER A 91 10.518 2.521 -27.459 1.00 0.00 N ATOM 1441 CA SER A 91 11.679 2.358 -28.325 1.00 0.00 C ATOM 1442 C SER A 91 11.728 0.946 -28.914 1.00 0.00 C ATOM 1443 O SER A 91 11.553 -0.034 -28.159 1.00 0.00 O ATOM 1444 CB SER A 91 12.948 2.676 -27.524 1.00 0.00 C ATOM 1445 OG SER A 91 12.776 3.871 -26.764 1.00 0.00 O ATOM 1446 OXT SER A 91 11.957 0.818 -30.135 1.00 0.00 O ATOM 0 H SER A 91 10.770 2.836 -26.522 1.00 0.00 H new ATOM 0 HA SER A 91 11.607 3.050 -29.164 1.00 0.00 H new ATOM 0 HB2 SER A 91 13.182 1.845 -26.858 1.00 0.00 H new ATOM 0 HB3 SER A 91 13.794 2.788 -28.202 1.00 0.00 H new ATOM 0 HG SER A 91 13.594 4.058 -26.258 1.00 0.00 H new TER 1452 SER A 91