USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 779 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 48 SER OG : rot 180:sc= 0.341 USER MOD Set 1.2: A 51 SER OG : rot 83:sc= 0.187 USER MOD Set 2.1: A 29 LYS NZ :NH3+ 174:sc= 0.289 (180deg=0) USER MOD Set 2.2: A 33 ASN : amide:sc= -0.757 K(o=-0.47,f=-2.1) USER MOD Single : A 1 GLY N :NH3+ -128:sc= 0.0983 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0513 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -89:sc= 1.32 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.084 K(o=-0.084,f=-1.5) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0025 USER MOD Single : A 23 THR OG1 : rot -23:sc= 1.21 USER MOD Single : A 25 GLN :FLIP amide:sc= 0 F(o=-1.5!,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -156:sc= 0.712 (180deg=0.4) USER MOD Single : A 32 LYS NZ :NH3+ -175:sc= -0.191 (180deg=-0.204) USER MOD Single : A 36 CYS SG : rot 74:sc= 0.136 USER MOD Single : A 37 GLN : amide:sc= 0.595 K(o=0.59,f=-4.1!) USER MOD Single : A 43 LYS NZ :NH3+ -162:sc= -0.032 (180deg=-0.236) USER MOD Single : A 49 GLN : amide:sc= -0.0535 X(o=-0.053,f=-0.065) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl -177:sc= -0.383 (180deg=-0.408) USER MOD Single : A 57 SER OG : rot 88:sc= 0.0498 USER MOD Single : A 60 LYS NZ :NH3+ 162:sc= 0.662 (180deg=0.494) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.102 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.119) USER MOD Single : A 76 MET CE :methyl -171:sc=-0.00874 (180deg=-0.075) USER MOD Single : A 77 GLN : amide:sc= 0.228 X(o=0.23,f=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 86 GLN : amide:sc= -0.0133 X(o=-0.013,f=-0.41) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 91 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot -31:sc= 0.216 USER MOD Single : A 100 SER OG : rot 180:sc= 0.0159 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.173 -21.398 -15.447 1.00 0.00 N ATOM 2 CA GLY A 1 4.322 -20.985 -16.257 1.00 0.00 C ATOM 3 C GLY A 1 5.458 -20.574 -15.350 1.00 0.00 C ATOM 4 O GLY A 1 5.558 -21.033 -14.209 1.00 0.00 O ATOM 0 H1 GLY A 1 2.849 -22.336 -15.757 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.451 -21.441 -14.446 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.402 -20.710 -15.563 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.637 -21.804 -16.904 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.043 -20.155 -16.906 1.00 0.00 H new ATOM 8 N SER A 2 6.338 -19.732 -15.872 1.00 0.00 N ATOM 9 CA SER A 2 7.351 -19.000 -15.136 1.00 0.00 C ATOM 10 C SER A 2 7.803 -17.879 -16.064 1.00 0.00 C ATOM 11 O SER A 2 7.283 -16.763 -15.988 1.00 0.00 O ATOM 12 CB SER A 2 8.490 -19.936 -14.681 1.00 0.00 C ATOM 13 OG SER A 2 8.804 -20.925 -15.654 1.00 0.00 O ATOM 0 H SER A 2 6.364 -19.533 -16.872 1.00 0.00 H new ATOM 0 HA SER A 2 6.971 -18.575 -14.207 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.380 -19.344 -14.470 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.204 -20.425 -13.750 1.00 0.00 H new ATOM 0 HG SER A 2 9.531 -21.492 -15.322 1.00 0.00 H new ATOM 19 N SER A 3 8.680 -18.220 -17.007 1.00 0.00 N ATOM 20 CA SER A 3 9.149 -17.363 -18.078 1.00 0.00 C ATOM 21 C SER A 3 7.949 -16.927 -18.924 1.00 0.00 C ATOM 22 O SER A 3 7.344 -17.758 -19.607 1.00 0.00 O ATOM 23 CB SER A 3 10.185 -18.138 -18.898 1.00 0.00 C ATOM 24 OG SER A 3 11.283 -17.323 -19.257 1.00 0.00 O ATOM 0 H SER A 3 9.099 -19.149 -17.040 1.00 0.00 H new ATOM 0 HA SER A 3 9.626 -16.463 -17.691 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.539 -18.993 -18.322 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.715 -18.533 -19.799 1.00 0.00 H new ATOM 0 HG SER A 3 11.925 -17.850 -19.778 1.00 0.00 H new ATOM 30 N GLY A 4 7.570 -15.653 -18.862 1.00 0.00 N ATOM 31 CA GLY A 4 6.376 -15.133 -19.516 1.00 0.00 C ATOM 32 C GLY A 4 5.141 -15.474 -18.702 1.00 0.00 C ATOM 33 O GLY A 4 4.275 -16.233 -19.148 1.00 0.00 O ATOM 0 H GLY A 4 8.093 -14.944 -18.348 1.00 0.00 H new ATOM 0 HA2 GLY A 4 6.457 -14.052 -19.631 1.00 0.00 H new ATOM 0 HA3 GLY A 4 6.288 -15.555 -20.517 1.00 0.00 H new ATOM 37 N SER A 5 5.056 -14.897 -17.506 1.00 0.00 N ATOM 38 CA SER A 5 3.849 -14.864 -16.698 1.00 0.00 C ATOM 39 C SER A 5 3.433 -13.400 -16.524 1.00 0.00 C ATOM 40 O SER A 5 4.233 -12.486 -16.766 1.00 0.00 O ATOM 41 CB SER A 5 4.075 -15.632 -15.385 1.00 0.00 C ATOM 42 OG SER A 5 5.329 -15.350 -14.771 1.00 0.00 O ATOM 0 H SER A 5 5.847 -14.429 -17.064 1.00 0.00 H new ATOM 0 HA SER A 5 3.017 -15.375 -17.183 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.274 -15.387 -14.687 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.009 -16.702 -15.583 1.00 0.00 H new ATOM 0 HG SER A 5 6.008 -15.967 -15.115 1.00 0.00 H new ATOM 48 N SER A 6 2.177 -13.156 -16.162 1.00 0.00 N ATOM 49 CA SER A 6 1.591 -11.827 -16.034 1.00 0.00 C ATOM 50 C SER A 6 2.253 -11.018 -14.920 1.00 0.00 C ATOM 51 O SER A 6 2.713 -9.898 -15.155 1.00 0.00 O ATOM 52 CB SER A 6 0.081 -11.976 -15.825 1.00 0.00 C ATOM 53 OG SER A 6 -0.461 -12.620 -16.965 1.00 0.00 O ATOM 0 H SER A 6 1.518 -13.903 -15.943 1.00 0.00 H new ATOM 0 HA SER A 6 1.768 -11.263 -16.950 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.123 -12.558 -14.926 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.382 -10.999 -15.684 1.00 0.00 H new ATOM 0 HG SER A 6 -1.428 -12.727 -16.851 1.00 0.00 H new ATOM 59 N GLY A 7 2.332 -11.591 -13.722 1.00 0.00 N ATOM 60 CA GLY A 7 2.593 -10.840 -12.512 1.00 0.00 C ATOM 61 C GLY A 7 1.264 -10.759 -11.784 1.00 0.00 C ATOM 62 O GLY A 7 0.814 -11.779 -11.258 1.00 0.00 O ATOM 0 H GLY A 7 2.215 -12.593 -13.570 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.346 -11.335 -11.899 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.974 -9.845 -12.743 1.00 0.00 H new ATOM 66 N GLN A 8 0.611 -9.592 -11.824 1.00 0.00 N ATOM 67 CA GLN A 8 -0.483 -9.209 -10.936 1.00 0.00 C ATOM 68 C GLN A 8 -0.106 -9.459 -9.468 1.00 0.00 C ATOM 69 O GLN A 8 1.007 -9.867 -9.136 1.00 0.00 O ATOM 70 CB GLN A 8 -1.820 -9.879 -11.347 1.00 0.00 C ATOM 71 CG GLN A 8 -2.691 -9.029 -12.284 1.00 0.00 C ATOM 72 CD GLN A 8 -2.473 -9.388 -13.748 1.00 0.00 C ATOM 73 OE1 GLN A 8 -1.381 -9.224 -14.280 1.00 0.00 O ATOM 74 NE2 GLN A 8 -3.503 -9.838 -14.444 1.00 0.00 N ATOM 0 H GLN A 8 0.841 -8.865 -12.501 1.00 0.00 H new ATOM 0 HA GLN A 8 -0.649 -8.137 -11.039 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -1.602 -10.829 -11.835 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.391 -10.107 -10.447 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -3.741 -9.169 -12.029 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -2.464 -7.974 -12.132 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.407 -9.970 -13.990 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -3.394 -10.053 -15.435 1.00 0.00 H new ATOM 83 N TYR A 9 -1.041 -9.210 -8.549 1.00 0.00 N ATOM 84 CA TYR A 9 -0.853 -9.620 -7.168 1.00 0.00 C ATOM 85 C TYR A 9 -0.594 -11.129 -7.074 1.00 0.00 C ATOM 86 O TYR A 9 0.024 -11.554 -6.110 1.00 0.00 O ATOM 87 CB TYR A 9 -2.059 -9.191 -6.318 1.00 0.00 C ATOM 88 CG TYR A 9 -3.417 -9.671 -6.808 1.00 0.00 C ATOM 89 CD1 TYR A 9 -3.762 -11.035 -6.726 1.00 0.00 C ATOM 90 CD2 TYR A 9 -4.336 -8.756 -7.360 1.00 0.00 C ATOM 91 CE1 TYR A 9 -4.973 -11.495 -7.266 1.00 0.00 C ATOM 92 CE2 TYR A 9 -5.580 -9.202 -7.844 1.00 0.00 C ATOM 93 CZ TYR A 9 -5.893 -10.579 -7.821 1.00 0.00 C ATOM 94 OH TYR A 9 -7.078 -11.023 -8.316 1.00 0.00 O ATOM 0 H TYR A 9 -1.922 -8.733 -8.738 1.00 0.00 H new ATOM 0 HA TYR A 9 0.030 -9.120 -6.770 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -1.911 -9.555 -5.301 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.076 -8.102 -6.268 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -3.090 -11.730 -6.245 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.084 -7.707 -7.412 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.201 -12.551 -7.257 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.295 -8.492 -8.233 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.594 -10.264 -8.659 1.00 0.00 H new ATOM 104 N GLU A 10 -1.055 -11.943 -8.030 1.00 0.00 N ATOM 105 CA GLU A 10 -1.027 -13.396 -7.933 1.00 0.00 C ATOM 106 C GLU A 10 0.388 -13.978 -8.018 1.00 0.00 C ATOM 107 O GLU A 10 0.647 -14.999 -7.386 1.00 0.00 O ATOM 108 CB GLU A 10 -1.975 -14.023 -8.965 1.00 0.00 C ATOM 109 CG GLU A 10 -1.618 -13.705 -10.423 1.00 0.00 C ATOM 110 CD GLU A 10 -2.473 -14.463 -11.437 1.00 0.00 C ATOM 111 OE1 GLU A 10 -2.646 -15.689 -11.284 1.00 0.00 O ATOM 112 OE2 GLU A 10 -2.833 -13.900 -12.496 1.00 0.00 O ATOM 0 H GLU A 10 -1.462 -11.601 -8.901 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.386 -13.658 -6.938 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.976 -15.105 -8.831 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.989 -13.677 -8.767 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.732 -12.634 -10.592 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -0.568 -13.945 -10.593 1.00 0.00 H new ATOM 119 N LEU A 11 1.333 -13.368 -8.743 1.00 0.00 N ATOM 120 CA LEU A 11 2.739 -13.796 -8.670 1.00 0.00 C ATOM 121 C LEU A 11 3.263 -13.486 -7.272 1.00 0.00 C ATOM 122 O LEU A 11 3.821 -14.344 -6.580 1.00 0.00 O ATOM 123 CB LEU A 11 3.580 -13.130 -9.780 1.00 0.00 C ATOM 124 CG LEU A 11 5.027 -13.647 -9.987 1.00 0.00 C ATOM 125 CD1 LEU A 11 6.094 -13.167 -8.997 1.00 0.00 C ATOM 126 CD2 LEU A 11 5.082 -15.169 -9.995 1.00 0.00 C ATOM 0 H LEU A 11 1.157 -12.589 -9.378 1.00 0.00 H new ATOM 0 HA LEU A 11 2.817 -14.870 -8.842 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.044 -13.243 -10.722 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.631 -12.062 -9.569 1.00 0.00 H new ATOM 0 HG LEU A 11 5.278 -13.207 -10.952 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.057 -13.605 -9.259 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.166 -12.080 -9.039 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.819 -13.474 -7.988 1.00 0.00 H new ATOM 0 HD21 LEU A 11 6.112 -15.495 -10.142 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.713 -15.551 -9.043 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.461 -15.551 -10.805 1.00 0.00 H new ATOM 138 N TYR A 12 3.048 -12.242 -6.859 1.00 0.00 N ATOM 139 CA TYR A 12 3.606 -11.659 -5.655 1.00 0.00 C ATOM 140 C TYR A 12 2.901 -12.175 -4.395 1.00 0.00 C ATOM 141 O TYR A 12 3.366 -11.904 -3.296 1.00 0.00 O ATOM 142 CB TYR A 12 3.493 -10.129 -5.755 1.00 0.00 C ATOM 143 CG TYR A 12 3.791 -9.487 -7.110 1.00 0.00 C ATOM 144 CD1 TYR A 12 4.707 -10.063 -8.006 1.00 0.00 C ATOM 145 CD2 TYR A 12 3.069 -8.351 -7.514 1.00 0.00 C ATOM 146 CE1 TYR A 12 4.797 -9.609 -9.332 1.00 0.00 C ATOM 147 CE2 TYR A 12 3.185 -7.844 -8.822 1.00 0.00 C ATOM 148 CZ TYR A 12 4.017 -8.505 -9.752 1.00 0.00 C ATOM 149 OH TYR A 12 4.076 -8.085 -11.046 1.00 0.00 O ATOM 0 H TYR A 12 2.457 -11.591 -7.377 1.00 0.00 H new ATOM 0 HA TYR A 12 4.653 -11.951 -5.571 1.00 0.00 H new ATOM 0 HB2 TYR A 12 2.481 -9.847 -5.464 1.00 0.00 H new ATOM 0 HB3 TYR A 12 4.169 -9.693 -5.020 1.00 0.00 H new ATOM 0 HD1 TYR A 12 5.349 -10.864 -7.671 1.00 0.00 H new ATOM 0 HD2 TYR A 12 2.415 -7.859 -6.810 1.00 0.00 H new ATOM 0 HE1 TYR A 12 5.459 -10.101 -10.029 1.00 0.00 H new ATOM 0 HE2 TYR A 12 2.642 -6.957 -9.112 1.00 0.00 H new ATOM 0 HH TYR A 12 3.479 -7.317 -11.168 1.00 0.00 H new ATOM 159 N MET A 13 1.785 -12.906 -4.500 1.00 0.00 N ATOM 160 CA MET A 13 1.026 -13.438 -3.377 1.00 0.00 C ATOM 161 C MET A 13 1.851 -14.476 -2.599 1.00 0.00 C ATOM 162 O MET A 13 1.552 -14.795 -1.444 1.00 0.00 O ATOM 163 CB MET A 13 -0.248 -14.095 -3.935 1.00 0.00 C ATOM 164 CG MET A 13 -1.347 -14.170 -2.876 1.00 0.00 C ATOM 165 SD MET A 13 -2.869 -13.259 -3.266 1.00 0.00 S ATOM 166 CE MET A 13 -2.267 -11.550 -3.223 1.00 0.00 C ATOM 0 H MET A 13 1.377 -13.148 -5.403 1.00 0.00 H new ATOM 0 HA MET A 13 0.774 -12.631 -2.689 1.00 0.00 H new ATOM 0 HB2 MET A 13 -0.606 -13.527 -4.793 1.00 0.00 H new ATOM 0 HB3 MET A 13 -0.015 -15.098 -4.292 1.00 0.00 H new ATOM 0 HG2 MET A 13 -1.602 -15.217 -2.715 1.00 0.00 H new ATOM 0 HG3 MET A 13 -0.948 -13.791 -1.935 1.00 0.00 H new ATOM 0 HE1 MET A 13 -3.089 -10.869 -3.444 1.00 0.00 H new ATOM 0 HE2 MET A 13 -1.869 -11.329 -2.233 1.00 0.00 H new ATOM 0 HE3 MET A 13 -1.480 -11.422 -3.967 1.00 0.00 H new ATOM 176 N TYR A 14 2.888 -15.015 -3.242 1.00 0.00 N ATOM 177 CA TYR A 14 3.778 -16.042 -2.734 1.00 0.00 C ATOM 178 C TYR A 14 5.141 -15.407 -2.490 1.00 0.00 C ATOM 179 O TYR A 14 5.592 -15.372 -1.346 1.00 0.00 O ATOM 180 CB TYR A 14 3.836 -17.204 -3.727 1.00 0.00 C ATOM 181 CG TYR A 14 2.466 -17.677 -4.164 1.00 0.00 C ATOM 182 CD1 TYR A 14 1.711 -18.526 -3.335 1.00 0.00 C ATOM 183 CD2 TYR A 14 1.937 -17.228 -5.389 1.00 0.00 C ATOM 184 CE1 TYR A 14 0.468 -19.012 -3.771 1.00 0.00 C ATOM 185 CE2 TYR A 14 0.675 -17.688 -5.810 1.00 0.00 C ATOM 186 CZ TYR A 14 -0.047 -18.602 -5.018 1.00 0.00 C ATOM 187 OH TYR A 14 -1.198 -19.139 -5.495 1.00 0.00 O ATOM 0 H TYR A 14 3.138 -14.724 -4.187 1.00 0.00 H new ATOM 0 HA TYR A 14 3.419 -16.453 -1.790 1.00 0.00 H new ATOM 0 HB2 TYR A 14 4.405 -16.897 -4.604 1.00 0.00 H new ATOM 0 HB3 TYR A 14 4.374 -18.036 -3.273 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.088 -18.804 -2.362 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.495 -16.536 -6.001 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.092 -19.698 -3.153 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.259 -17.339 -6.743 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.408 -18.742 -6.366 1.00 0.00 H new ATOM 197 N ARG A 15 5.745 -14.883 -3.564 1.00 0.00 N ATOM 198 CA ARG A 15 7.064 -14.261 -3.632 1.00 0.00 C ATOM 199 C ARG A 15 7.179 -13.061 -2.686 1.00 0.00 C ATOM 200 O ARG A 15 6.191 -12.578 -2.138 1.00 0.00 O ATOM 201 CB ARG A 15 7.316 -13.858 -5.106 1.00 0.00 C ATOM 202 CG ARG A 15 8.529 -14.541 -5.760 1.00 0.00 C ATOM 203 CD ARG A 15 9.895 -14.022 -5.283 1.00 0.00 C ATOM 204 NE ARG A 15 10.975 -14.626 -6.078 1.00 0.00 N ATOM 205 CZ ARG A 15 12.262 -14.264 -6.143 1.00 0.00 C ATOM 206 NH1 ARG A 15 12.741 -13.264 -5.415 1.00 0.00 N ATOM 207 NH2 ARG A 15 13.068 -14.927 -6.960 1.00 0.00 N ATOM 0 H ARG A 15 5.285 -14.885 -4.475 1.00 0.00 H new ATOM 0 HA ARG A 15 7.826 -14.967 -3.303 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.426 -14.092 -5.690 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.454 -12.778 -5.155 1.00 0.00 H new ATOM 0 HG2 ARG A 15 8.474 -15.612 -5.565 1.00 0.00 H new ATOM 0 HG3 ARG A 15 8.463 -14.410 -6.840 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.931 -12.936 -5.373 1.00 0.00 H new ATOM 0 HD3 ARG A 15 10.034 -14.259 -4.228 1.00 0.00 H new ATOM 0 HE ARG A 15 10.709 -15.424 -6.655 1.00 0.00 H new ATOM 0 HH11 ARG A 15 12.124 -12.750 -4.786 1.00 0.00 H new ATOM 0 HH12 ARG A 15 13.726 -13.009 -5.484 1.00 0.00 H new ATOM 0 HH21 ARG A 15 12.704 -15.696 -7.523 1.00 0.00 H new ATOM 0 HH22 ARG A 15 14.053 -14.669 -7.026 1.00 0.00 H new ATOM 221 N GLU A 16 8.403 -12.564 -2.523 1.00 0.00 N ATOM 222 CA GLU A 16 8.725 -11.376 -1.741 1.00 0.00 C ATOM 223 C GLU A 16 8.858 -10.161 -2.652 1.00 0.00 C ATOM 224 O GLU A 16 8.670 -10.272 -3.865 1.00 0.00 O ATOM 225 CB GLU A 16 9.992 -11.639 -0.920 1.00 0.00 C ATOM 226 CG GLU A 16 9.844 -12.714 0.165 1.00 0.00 C ATOM 227 CD GLU A 16 11.232 -13.158 0.616 1.00 0.00 C ATOM 228 OE1 GLU A 16 11.841 -12.441 1.438 1.00 0.00 O ATOM 229 OE2 GLU A 16 11.794 -14.097 0.014 1.00 0.00 O ATOM 0 H GLU A 16 9.225 -12.993 -2.947 1.00 0.00 H new ATOM 0 HA GLU A 16 7.917 -11.155 -1.044 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.792 -11.935 -1.598 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.302 -10.707 -0.448 1.00 0.00 H new ATOM 0 HG2 GLU A 16 9.281 -12.320 1.011 1.00 0.00 H new ATOM 0 HG3 GLU A 16 9.284 -13.565 -0.222 1.00 0.00 H new ATOM 236 N VAL A 17 9.152 -8.988 -2.091 1.00 0.00 N ATOM 237 CA VAL A 17 9.405 -7.768 -2.844 1.00 0.00 C ATOM 238 C VAL A 17 10.384 -6.893 -2.052 1.00 0.00 C ATOM 239 O VAL A 17 10.431 -6.990 -0.820 1.00 0.00 O ATOM 240 CB VAL A 17 8.059 -7.074 -3.170 1.00 0.00 C ATOM 241 CG1 VAL A 17 7.226 -6.764 -1.925 1.00 0.00 C ATOM 242 CG2 VAL A 17 8.240 -5.780 -3.957 1.00 0.00 C ATOM 0 H VAL A 17 9.221 -8.861 -1.081 1.00 0.00 H new ATOM 0 HA VAL A 17 9.876 -7.979 -3.804 1.00 0.00 H new ATOM 0 HB VAL A 17 7.525 -7.801 -3.783 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.296 -6.279 -2.221 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.000 -7.691 -1.398 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.788 -6.101 -1.267 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.265 -5.337 -4.158 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.843 -5.082 -3.376 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.742 -5.995 -4.900 1.00 0.00 H new ATOM 252 N ASP A 18 11.156 -6.031 -2.718 1.00 0.00 N ATOM 253 CA ASP A 18 11.945 -4.989 -2.062 1.00 0.00 C ATOM 254 C ASP A 18 10.998 -3.916 -1.538 1.00 0.00 C ATOM 255 O ASP A 18 10.644 -2.983 -2.257 1.00 0.00 O ATOM 256 CB ASP A 18 12.988 -4.371 -3.006 1.00 0.00 C ATOM 257 CG ASP A 18 14.362 -4.967 -2.767 1.00 0.00 C ATOM 258 OD1 ASP A 18 14.925 -4.785 -1.665 1.00 0.00 O ATOM 259 OD2 ASP A 18 14.873 -5.680 -3.661 1.00 0.00 O ATOM 0 H ASP A 18 11.251 -6.038 -3.734 1.00 0.00 H new ATOM 0 HA ASP A 18 12.498 -5.440 -1.238 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.691 -4.539 -4.041 1.00 0.00 H new ATOM 0 HB3 ASP A 18 13.025 -3.292 -2.856 1.00 0.00 H new ATOM 264 N THR A 19 10.551 -4.059 -0.292 1.00 0.00 N ATOM 265 CA THR A 19 9.582 -3.170 0.334 1.00 0.00 C ATOM 266 C THR A 19 10.098 -1.731 0.452 1.00 0.00 C ATOM 267 O THR A 19 9.311 -0.787 0.382 1.00 0.00 O ATOM 268 CB THR A 19 9.233 -3.746 1.717 1.00 0.00 C ATOM 269 OG1 THR A 19 10.411 -3.957 2.476 1.00 0.00 O ATOM 270 CG2 THR A 19 8.547 -5.109 1.591 1.00 0.00 C ATOM 0 H THR A 19 10.861 -4.813 0.321 1.00 0.00 H new ATOM 0 HA THR A 19 8.692 -3.117 -0.293 1.00 0.00 H new ATOM 0 HB THR A 19 8.572 -3.026 2.200 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.173 -4.322 3.354 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.312 -5.491 2.584 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.627 -5.001 1.017 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.213 -5.806 1.082 1.00 0.00 H new ATOM 278 N LEU A 20 11.409 -1.551 0.627 1.00 0.00 N ATOM 279 CA LEU A 20 12.046 -0.248 0.688 1.00 0.00 C ATOM 280 C LEU A 20 11.984 0.392 -0.688 1.00 0.00 C ATOM 281 O LEU A 20 11.311 1.412 -0.851 1.00 0.00 O ATOM 282 CB LEU A 20 13.497 -0.386 1.179 1.00 0.00 C ATOM 283 CG LEU A 20 13.722 -0.066 2.666 1.00 0.00 C ATOM 284 CD1 LEU A 20 13.356 1.385 3.009 1.00 0.00 C ATOM 285 CD2 LEU A 20 12.976 -1.056 3.570 1.00 0.00 C ATOM 0 H LEU A 20 12.064 -2.326 0.732 1.00 0.00 H new ATOM 0 HA LEU A 20 11.522 0.391 1.398 1.00 0.00 H new ATOM 0 HB2 LEU A 20 13.832 -1.406 0.989 1.00 0.00 H new ATOM 0 HB3 LEU A 20 14.129 0.273 0.583 1.00 0.00 H new ATOM 0 HG LEU A 20 14.790 -0.178 2.855 1.00 0.00 H new ATOM 0 HD11 LEU A 20 13.532 1.563 4.070 1.00 0.00 H new ATOM 0 HD12 LEU A 20 13.972 2.065 2.420 1.00 0.00 H new ATOM 0 HD13 LEU A 20 12.304 1.559 2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 20 13.156 -0.802 4.615 1.00 0.00 H new ATOM 0 HD22 LEU A 20 11.907 -1.004 3.363 1.00 0.00 H new ATOM 0 HD23 LEU A 20 13.334 -2.067 3.376 1.00 0.00 H new ATOM 297 N GLU A 21 12.650 -0.229 -1.664 1.00 0.00 N ATOM 298 CA GLU A 21 12.781 0.279 -3.025 1.00 0.00 C ATOM 299 C GLU A 21 11.410 0.486 -3.680 1.00 0.00 C ATOM 300 O GLU A 21 11.244 1.409 -4.470 1.00 0.00 O ATOM 301 CB GLU A 21 13.657 -0.675 -3.857 1.00 0.00 C ATOM 302 CG GLU A 21 14.733 0.072 -4.649 1.00 0.00 C ATOM 303 CD GLU A 21 15.887 0.497 -3.738 1.00 0.00 C ATOM 304 OE1 GLU A 21 16.754 -0.340 -3.403 1.00 0.00 O ATOM 305 OE2 GLU A 21 15.950 1.684 -3.359 1.00 0.00 O ATOM 0 H GLU A 21 13.124 -1.121 -1.523 1.00 0.00 H new ATOM 0 HA GLU A 21 13.267 1.254 -2.985 1.00 0.00 H new ATOM 0 HB2 GLU A 21 14.132 -1.399 -3.195 1.00 0.00 H new ATOM 0 HB3 GLU A 21 13.026 -1.238 -4.545 1.00 0.00 H new ATOM 0 HG2 GLU A 21 15.111 -0.566 -5.447 1.00 0.00 H new ATOM 0 HG3 GLU A 21 14.296 0.951 -5.123 1.00 0.00 H new ATOM 312 N LEU A 22 10.409 -0.308 -3.284 1.00 0.00 N ATOM 313 CA LEU A 22 9.012 -0.097 -3.621 1.00 0.00 C ATOM 314 C LEU A 22 8.584 1.312 -3.214 1.00 0.00 C ATOM 315 O LEU A 22 8.251 2.118 -4.076 1.00 0.00 O ATOM 316 CB LEU A 22 8.148 -1.184 -2.957 1.00 0.00 C ATOM 317 CG LEU A 22 6.640 -0.891 -3.017 1.00 0.00 C ATOM 318 CD1 LEU A 22 6.159 -0.872 -4.460 1.00 0.00 C ATOM 319 CD2 LEU A 22 5.889 -1.951 -2.213 1.00 0.00 C ATOM 0 H LEU A 22 10.561 -1.134 -2.706 1.00 0.00 H new ATOM 0 HA LEU A 22 8.873 -0.179 -4.699 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.344 -2.140 -3.443 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.448 -1.289 -1.914 1.00 0.00 H new ATOM 0 HG LEU A 22 6.445 0.091 -2.585 1.00 0.00 H new ATOM 0 HD11 LEU A 22 5.089 -0.663 -4.484 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.692 -0.098 -5.011 1.00 0.00 H new ATOM 0 HD13 LEU A 22 6.350 -1.842 -4.920 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.819 -1.747 -2.253 1.00 0.00 H new ATOM 0 HD22 LEU A 22 6.087 -2.936 -2.636 1.00 0.00 H new ATOM 0 HD23 LEU A 22 6.225 -1.927 -1.176 1.00 0.00 H new ATOM 331 N THR A 23 8.576 1.629 -1.913 1.00 0.00 N ATOM 332 CA THR A 23 8.171 2.961 -1.451 1.00 0.00 C ATOM 333 C THR A 23 9.006 4.038 -2.138 1.00 0.00 C ATOM 334 O THR A 23 8.466 5.086 -2.483 1.00 0.00 O ATOM 335 CB THR A 23 8.236 3.083 0.077 1.00 0.00 C ATOM 336 OG1 THR A 23 9.536 2.924 0.610 1.00 0.00 O ATOM 337 CG2 THR A 23 7.320 2.062 0.739 1.00 0.00 C ATOM 0 H THR A 23 8.843 0.986 -1.167 1.00 0.00 H new ATOM 0 HA THR A 23 7.128 3.109 -1.729 1.00 0.00 H new ATOM 0 HB THR A 23 7.911 4.100 0.294 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.086 2.409 -0.017 1.00 0.00 H new ATOM 0 HG21 THR A 23 7.382 2.166 1.822 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.293 2.231 0.416 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.629 1.057 0.453 1.00 0.00 H new ATOM 345 N ARG A 24 10.295 3.770 -2.356 1.00 0.00 N ATOM 346 CA ARG A 24 11.206 4.671 -3.050 1.00 0.00 C ATOM 347 C ARG A 24 10.685 5.018 -4.442 1.00 0.00 C ATOM 348 O ARG A 24 10.439 6.195 -4.698 1.00 0.00 O ATOM 349 CB ARG A 24 12.621 4.089 -3.090 1.00 0.00 C ATOM 350 CG ARG A 24 13.658 5.146 -3.494 1.00 0.00 C ATOM 351 CD ARG A 24 15.019 4.471 -3.445 1.00 0.00 C ATOM 352 NE ARG A 24 16.130 5.419 -3.541 1.00 0.00 N ATOM 353 CZ ARG A 24 17.403 5.052 -3.706 1.00 0.00 C ATOM 354 NH1 ARG A 24 17.737 3.779 -3.876 1.00 0.00 N ATOM 355 NH2 ARG A 24 18.354 5.971 -3.711 1.00 0.00 N ATOM 0 H ARG A 24 10.739 2.905 -2.048 1.00 0.00 H new ATOM 0 HA ARG A 24 11.257 5.605 -2.491 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.876 3.685 -2.110 1.00 0.00 H new ATOM 0 HB3 ARG A 24 12.653 3.259 -3.796 1.00 0.00 H new ATOM 0 HG2 ARG A 24 13.452 5.527 -4.494 1.00 0.00 H new ATOM 0 HG3 ARG A 24 13.625 5.998 -2.815 1.00 0.00 H new ATOM 0 HD2 ARG A 24 15.107 3.909 -2.515 1.00 0.00 H new ATOM 0 HD3 ARG A 24 15.091 3.751 -4.260 1.00 0.00 H new ATOM 0 HE ARG A 24 15.920 6.415 -3.478 1.00 0.00 H new ATOM 0 HH11 ARG A 24 17.015 3.059 -3.882 1.00 0.00 H new ATOM 0 HH12 ARG A 24 18.716 3.521 -4.000 1.00 0.00 H new ATOM 0 HH21 ARG A 24 18.113 6.955 -3.589 1.00 0.00 H new ATOM 0 HH22 ARG A 24 19.328 5.696 -3.837 1.00 0.00 H new ATOM 369 N GLN A 25 10.512 4.031 -5.325 1.00 0.00 N ATOM 370 CA GLN A 25 10.018 4.245 -6.683 1.00 0.00 C ATOM 371 C GLN A 25 8.633 4.875 -6.659 1.00 0.00 C ATOM 372 O GLN A 25 8.379 5.784 -7.443 1.00 0.00 O ATOM 373 CB GLN A 25 10.020 2.934 -7.491 1.00 0.00 C ATOM 374 CG GLN A 25 11.421 2.506 -7.945 1.00 0.00 C ATOM 375 CD GLN A 25 11.870 3.123 -9.279 1.00 0.00 C ATOM 376 OE1 GLN A 25 11.919 4.442 -9.393 1.00 0.00 O flip ATOM 377 NE2 GLN A 25 12.205 2.421 -10.233 1.00 0.00 N flip ATOM 0 H GLN A 25 10.713 3.054 -5.113 1.00 0.00 H new ATOM 0 HA GLN A 25 10.695 4.938 -7.182 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.583 2.140 -6.885 1.00 0.00 H new ATOM 0 HB3 GLN A 25 9.382 3.054 -8.367 1.00 0.00 H new ATOM 0 HG2 GLN A 25 12.140 2.779 -7.172 1.00 0.00 H new ATOM 0 HG3 GLN A 25 11.445 1.420 -8.034 1.00 0.00 H new ATOM 0 HE21 GLN A 25 12.171 1.405 -10.155 1.00 0.00 H new ATOM 0 HE22 GLN A 25 12.517 2.856 -11.101 1.00 0.00 H new ATOM 386 N VAL A 26 7.754 4.447 -5.751 1.00 0.00 N ATOM 387 CA VAL A 26 6.419 5.016 -5.649 1.00 0.00 C ATOM 388 C VAL A 26 6.551 6.526 -5.394 1.00 0.00 C ATOM 389 O VAL A 26 6.008 7.331 -6.152 1.00 0.00 O ATOM 390 CB VAL A 26 5.596 4.266 -4.582 1.00 0.00 C ATOM 391 CG1 VAL A 26 4.209 4.885 -4.362 1.00 0.00 C ATOM 392 CG2 VAL A 26 5.381 2.790 -4.954 1.00 0.00 C ATOM 0 H VAL A 26 7.948 3.707 -5.077 1.00 0.00 H new ATOM 0 HA VAL A 26 5.864 4.892 -6.579 1.00 0.00 H new ATOM 0 HB VAL A 26 6.185 4.347 -3.669 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.674 4.317 -3.601 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.320 5.918 -4.033 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.647 4.860 -5.296 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.797 2.300 -4.175 1.00 0.00 H new ATOM 0 HG22 VAL A 26 4.846 2.728 -5.902 1.00 0.00 H new ATOM 0 HG23 VAL A 26 6.347 2.294 -5.049 1.00 0.00 H new ATOM 402 N LYS A 27 7.285 6.931 -4.351 1.00 0.00 N ATOM 403 CA LYS A 27 7.550 8.325 -4.033 1.00 0.00 C ATOM 404 C LYS A 27 8.176 9.062 -5.217 1.00 0.00 C ATOM 405 O LYS A 27 7.726 10.173 -5.496 1.00 0.00 O ATOM 406 CB LYS A 27 8.451 8.368 -2.796 1.00 0.00 C ATOM 407 CG LYS A 27 7.672 8.029 -1.516 1.00 0.00 C ATOM 408 CD LYS A 27 8.586 8.027 -0.287 1.00 0.00 C ATOM 409 CE LYS A 27 9.549 6.834 -0.217 1.00 0.00 C ATOM 410 NZ LYS A 27 10.376 6.844 1.013 1.00 0.00 N ATOM 0 H LYS A 27 7.717 6.280 -3.696 1.00 0.00 H new ATOM 0 HA LYS A 27 6.613 8.840 -3.820 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.273 7.663 -2.920 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.893 9.360 -2.702 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.871 8.754 -1.374 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.202 7.051 -1.623 1.00 0.00 H new ATOM 0 HD2 LYS A 27 9.167 8.949 -0.280 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.968 8.033 0.611 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.977 5.907 -0.259 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.202 6.846 -1.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 11.250 6.304 0.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.617 7.825 1.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.843 6.410 1.793 1.00 0.00 H new ATOM 424 N GLU A 28 9.142 8.466 -5.919 1.00 0.00 N ATOM 425 CA GLU A 28 9.814 9.031 -7.079 1.00 0.00 C ATOM 426 C GLU A 28 8.813 9.337 -8.198 1.00 0.00 C ATOM 427 O GLU A 28 8.690 10.490 -8.607 1.00 0.00 O ATOM 428 CB GLU A 28 10.927 8.051 -7.507 1.00 0.00 C ATOM 429 CG GLU A 28 12.161 8.746 -8.081 1.00 0.00 C ATOM 430 CD GLU A 28 12.098 8.960 -9.597 1.00 0.00 C ATOM 431 OE1 GLU A 28 12.510 8.043 -10.345 1.00 0.00 O ATOM 432 OE2 GLU A 28 11.632 10.033 -10.045 1.00 0.00 O ATOM 0 H GLU A 28 9.488 7.537 -5.680 1.00 0.00 H new ATOM 0 HA GLU A 28 10.273 9.989 -6.834 1.00 0.00 H new ATOM 0 HB2 GLU A 28 11.224 7.452 -6.646 1.00 0.00 H new ATOM 0 HB3 GLU A 28 10.528 7.362 -8.252 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.284 9.712 -7.591 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.044 8.154 -7.843 1.00 0.00 H new ATOM 439 N LYS A 29 8.031 8.353 -8.662 1.00 0.00 N ATOM 440 CA LYS A 29 7.082 8.592 -9.742 1.00 0.00 C ATOM 441 C LYS A 29 6.014 9.591 -9.327 1.00 0.00 C ATOM 442 O LYS A 29 5.563 10.383 -10.159 1.00 0.00 O ATOM 443 CB LYS A 29 6.469 7.271 -10.215 1.00 0.00 C ATOM 444 CG LYS A 29 5.752 7.480 -11.554 1.00 0.00 C ATOM 445 CD LYS A 29 4.251 7.235 -11.576 1.00 0.00 C ATOM 446 CE LYS A 29 3.562 8.459 -12.177 1.00 0.00 C ATOM 447 NZ LYS A 29 2.110 8.271 -12.374 1.00 0.00 N ATOM 0 H LYS A 29 8.040 7.397 -8.307 1.00 0.00 H new ATOM 0 HA LYS A 29 7.620 9.032 -10.582 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.248 6.516 -10.323 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.766 6.899 -9.470 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.933 8.504 -11.880 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.214 6.824 -12.292 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.022 6.346 -12.164 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.883 7.053 -10.566 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.726 9.317 -11.525 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.025 8.694 -13.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.683 9.166 -12.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.949 7.539 -13.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.674 7.975 -11.478 1.00 0.00 H new ATOM 461 N LEU A 30 5.589 9.555 -8.061 1.00 0.00 N ATOM 462 CA LEU A 30 4.669 10.562 -7.570 1.00 0.00 C ATOM 463 C LEU A 30 5.325 11.934 -7.667 1.00 0.00 C ATOM 464 O LEU A 30 4.672 12.871 -8.113 1.00 0.00 O ATOM 465 CB LEU A 30 4.263 10.317 -6.105 1.00 0.00 C ATOM 466 CG LEU A 30 3.325 9.131 -5.867 1.00 0.00 C ATOM 467 CD1 LEU A 30 3.290 8.791 -4.383 1.00 0.00 C ATOM 468 CD2 LEU A 30 1.896 9.415 -6.318 1.00 0.00 C ATOM 0 H LEU A 30 5.865 8.851 -7.376 1.00 0.00 H new ATOM 0 HA LEU A 30 3.771 10.510 -8.185 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.168 10.165 -5.517 1.00 0.00 H new ATOM 0 HB3 LEU A 30 3.783 11.219 -5.724 1.00 0.00 H new ATOM 0 HG LEU A 30 3.716 8.301 -6.456 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.621 7.946 -4.219 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.293 8.530 -4.046 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.931 9.653 -3.821 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.273 8.541 -6.126 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.503 10.269 -5.766 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.889 9.639 -7.385 1.00 0.00 H new ATOM 480 N ALA A 31 6.588 12.055 -7.241 1.00 0.00 N ATOM 481 CA ALA A 31 7.332 13.305 -7.236 1.00 0.00 C ATOM 482 C ALA A 31 7.455 13.868 -8.646 1.00 0.00 C ATOM 483 O ALA A 31 7.216 15.060 -8.825 1.00 0.00 O ATOM 484 CB ALA A 31 8.715 13.145 -6.591 1.00 0.00 C ATOM 0 H ALA A 31 7.126 11.266 -6.884 1.00 0.00 H new ATOM 0 HA ALA A 31 6.770 14.014 -6.628 1.00 0.00 H new ATOM 0 HB1 ALA A 31 9.237 14.102 -6.608 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.599 12.813 -5.559 1.00 0.00 H new ATOM 0 HB3 ALA A 31 9.293 12.407 -7.147 1.00 0.00 H new ATOM 490 N LYS A 32 7.756 13.022 -9.641 1.00 0.00 N ATOM 491 CA LYS A 32 7.810 13.425 -11.042 1.00 0.00 C ATOM 492 C LYS A 32 6.498 14.093 -11.445 1.00 0.00 C ATOM 493 O LYS A 32 6.516 15.150 -12.070 1.00 0.00 O ATOM 494 CB LYS A 32 8.144 12.219 -11.944 1.00 0.00 C ATOM 495 CG LYS A 32 8.601 12.696 -13.333 1.00 0.00 C ATOM 496 CD LYS A 32 8.638 11.581 -14.385 1.00 0.00 C ATOM 497 CE LYS A 32 9.266 12.156 -15.660 1.00 0.00 C ATOM 498 NZ LYS A 32 9.025 11.333 -16.863 1.00 0.00 N ATOM 0 H LYS A 32 7.969 12.036 -9.490 1.00 0.00 H new ATOM 0 HA LYS A 32 8.609 14.154 -11.173 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.928 11.619 -11.483 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.268 11.578 -12.043 1.00 0.00 H new ATOM 0 HG2 LYS A 32 7.931 13.485 -13.675 1.00 0.00 H new ATOM 0 HG3 LYS A 32 9.594 13.136 -13.248 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.219 10.733 -14.022 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.632 11.214 -14.587 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.870 13.157 -15.830 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.341 12.259 -15.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.547 11.734 -17.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.350 10.361 -16.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.008 11.324 -17.079 1.00 0.00 H new ATOM 512 N ASN A 33 5.352 13.500 -11.100 1.00 0.00 N ATOM 513 CA ASN A 33 4.036 14.065 -11.412 1.00 0.00 C ATOM 514 C ASN A 33 3.572 15.094 -10.371 1.00 0.00 C ATOM 515 O ASN A 33 2.456 15.596 -10.474 1.00 0.00 O ATOM 516 CB ASN A 33 2.990 12.948 -11.605 1.00 0.00 C ATOM 517 CG ASN A 33 3.144 12.116 -12.877 1.00 0.00 C ATOM 518 OD1 ASN A 33 2.511 11.073 -13.021 1.00 0.00 O ATOM 519 ND2 ASN A 33 3.969 12.509 -13.833 1.00 0.00 N ATOM 0 H ASN A 33 5.310 12.614 -10.596 1.00 0.00 H new ATOM 0 HA ASN A 33 4.137 14.605 -12.353 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.036 12.279 -10.746 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.998 13.399 -11.605 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.074 11.948 -14.678 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.500 13.373 -13.725 1.00 0.00 H new ATOM 526 N GLY A 34 4.387 15.443 -9.372 1.00 0.00 N ATOM 527 CA GLY A 34 4.052 16.415 -8.336 1.00 0.00 C ATOM 528 C GLY A 34 2.890 15.987 -7.434 1.00 0.00 C ATOM 529 O GLY A 34 2.232 16.846 -6.841 1.00 0.00 O ATOM 0 H GLY A 34 5.320 15.046 -9.261 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.933 16.591 -7.718 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.801 17.364 -8.810 1.00 0.00 H new ATOM 533 N ILE A 35 2.580 14.691 -7.372 1.00 0.00 N ATOM 534 CA ILE A 35 1.417 14.160 -6.673 1.00 0.00 C ATOM 535 C ILE A 35 1.748 14.081 -5.185 1.00 0.00 C ATOM 536 O ILE A 35 2.685 13.390 -4.777 1.00 0.00 O ATOM 537 CB ILE A 35 0.989 12.801 -7.254 1.00 0.00 C ATOM 538 CG1 ILE A 35 0.602 12.983 -8.737 1.00 0.00 C ATOM 539 CG2 ILE A 35 -0.209 12.219 -6.469 1.00 0.00 C ATOM 540 CD1 ILE A 35 0.330 11.662 -9.444 1.00 0.00 C ATOM 0 H ILE A 35 3.145 13.968 -7.817 1.00 0.00 H new ATOM 0 HA ILE A 35 0.562 14.822 -6.809 1.00 0.00 H new ATOM 0 HB ILE A 35 1.823 12.104 -7.170 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.285 13.613 -8.801 1.00 0.00 H new ATOM 0 HG13 ILE A 35 1.404 13.508 -9.255 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.493 11.258 -6.898 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.073 12.081 -5.425 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.052 12.907 -6.529 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.063 11.854 -10.483 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.224 11.039 -9.408 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.492 11.146 -8.947 1.00 0.00 H new ATOM 552 N CYS A 36 0.940 14.760 -4.372 1.00 0.00 N ATOM 553 CA CYS A 36 1.022 14.733 -2.923 1.00 0.00 C ATOM 554 C CYS A 36 0.797 13.304 -2.418 1.00 0.00 C ATOM 555 O CYS A 36 -0.309 12.774 -2.552 1.00 0.00 O ATOM 556 CB CYS A 36 -0.031 15.684 -2.333 1.00 0.00 C ATOM 557 SG CYS A 36 -0.066 17.265 -3.221 1.00 0.00 S ATOM 0 H CYS A 36 0.191 15.359 -4.719 1.00 0.00 H new ATOM 0 HA CYS A 36 2.012 15.062 -2.606 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -1.014 15.216 -2.381 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.186 15.861 -1.280 1.00 0.00 H new ATOM 0 HG CYS A 36 -0.633 17.100 -4.379 1.00 0.00 H new ATOM 563 N GLN A 37 1.825 12.691 -1.821 1.00 0.00 N ATOM 564 CA GLN A 37 1.797 11.298 -1.370 1.00 0.00 C ATOM 565 C GLN A 37 0.644 11.037 -0.395 1.00 0.00 C ATOM 566 O GLN A 37 0.035 9.976 -0.445 1.00 0.00 O ATOM 567 CB GLN A 37 3.132 10.879 -0.726 1.00 0.00 C ATOM 568 CG GLN A 37 4.381 11.221 -1.556 1.00 0.00 C ATOM 569 CD GLN A 37 5.013 12.547 -1.128 1.00 0.00 C ATOM 570 OE1 GLN A 37 4.522 13.621 -1.470 1.00 0.00 O ATOM 571 NE2 GLN A 37 6.068 12.520 -0.336 1.00 0.00 N ATOM 0 H GLN A 37 2.713 13.157 -1.635 1.00 0.00 H new ATOM 0 HA GLN A 37 1.638 10.691 -2.261 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.217 11.360 0.248 1.00 0.00 H new ATOM 0 HB3 GLN A 37 3.113 9.804 -0.549 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.114 10.421 -1.453 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.111 11.272 -2.611 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.472 11.627 -0.055 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.480 13.393 -0.005 1.00 0.00 H new ATOM 580 N ARG A 38 0.300 12.028 0.432 1.00 0.00 N ATOM 581 CA ARG A 38 -0.878 12.035 1.299 1.00 0.00 C ATOM 582 C ARG A 38 -2.150 11.622 0.555 1.00 0.00 C ATOM 583 O ARG A 38 -2.812 10.668 0.949 1.00 0.00 O ATOM 584 CB ARG A 38 -1.033 13.407 1.993 1.00 0.00 C ATOM 585 CG ARG A 38 -0.655 14.633 1.159 1.00 0.00 C ATOM 586 CD ARG A 38 -1.032 15.947 1.849 1.00 0.00 C ATOM 587 NE ARG A 38 -2.417 16.339 1.546 1.00 0.00 N ATOM 588 CZ ARG A 38 -2.865 17.599 1.510 1.00 0.00 C ATOM 589 NH1 ARG A 38 -2.101 18.618 1.896 1.00 0.00 N ATOM 590 NH2 ARG A 38 -4.085 17.849 1.064 1.00 0.00 N ATOM 0 H ARG A 38 0.856 12.879 0.518 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.723 11.282 2.072 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -2.070 13.515 2.310 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.422 13.405 2.896 1.00 0.00 H new ATOM 0 HG2 ARG A 38 0.418 14.622 0.967 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.153 14.578 0.191 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.911 15.841 2.927 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.351 16.736 1.528 1.00 0.00 H new ATOM 0 HE ARG A 38 -3.086 15.595 1.349 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.152 18.447 2.228 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.464 19.570 1.860 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.680 17.083 0.749 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.431 18.808 1.035 1.00 0.00 H new ATOM 604 N ILE A 39 -2.502 12.334 -0.516 1.00 0.00 N ATOM 605 CA ILE A 39 -3.735 12.102 -1.264 1.00 0.00 C ATOM 606 C ILE A 39 -3.632 10.758 -1.980 1.00 0.00 C ATOM 607 O ILE A 39 -4.600 10.003 -2.000 1.00 0.00 O ATOM 608 CB ILE A 39 -3.978 13.262 -2.251 1.00 0.00 C ATOM 609 CG1 ILE A 39 -4.205 14.566 -1.462 1.00 0.00 C ATOM 610 CG2 ILE A 39 -5.161 12.966 -3.201 1.00 0.00 C ATOM 611 CD1 ILE A 39 -4.301 15.796 -2.360 1.00 0.00 C ATOM 0 H ILE A 39 -1.934 13.094 -0.891 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.589 12.068 -0.588 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.095 13.376 -2.880 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.121 14.476 -0.878 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -3.388 14.703 -0.754 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -5.301 13.806 -3.881 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.949 12.065 -3.777 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.069 12.818 -2.616 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -4.461 16.683 -1.747 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.375 15.907 -2.925 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.135 15.678 -3.051 1.00 0.00 H new ATOM 623 N PHE A 40 -2.468 10.449 -2.556 1.00 0.00 N ATOM 624 CA PHE A 40 -2.216 9.126 -3.121 1.00 0.00 C ATOM 625 C PHE A 40 -2.557 8.039 -2.091 1.00 0.00 C ATOM 626 O PHE A 40 -3.276 7.101 -2.409 1.00 0.00 O ATOM 627 CB PHE A 40 -0.763 9.025 -3.610 1.00 0.00 C ATOM 628 CG PHE A 40 -0.215 7.614 -3.701 1.00 0.00 C ATOM 629 CD1 PHE A 40 -0.442 6.841 -4.852 1.00 0.00 C ATOM 630 CD2 PHE A 40 0.487 7.059 -2.611 1.00 0.00 C ATOM 631 CE1 PHE A 40 0.003 5.509 -4.898 1.00 0.00 C ATOM 632 CE2 PHE A 40 0.945 5.732 -2.671 1.00 0.00 C ATOM 633 CZ PHE A 40 0.696 4.951 -3.813 1.00 0.00 C ATOM 0 H PHE A 40 -1.686 11.099 -2.642 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.861 8.971 -3.986 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.693 9.490 -4.593 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.128 9.603 -2.938 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.957 7.269 -5.699 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.673 7.654 -1.729 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.190 4.910 -5.776 1.00 0.00 H new ATOM 0 HE2 PHE A 40 1.489 5.311 -1.838 1.00 0.00 H new ATOM 0 HZ PHE A 40 1.036 3.927 -3.855 1.00 0.00 H new ATOM 643 N GLY A 41 -2.088 8.163 -0.852 1.00 0.00 N ATOM 644 CA GLY A 41 -2.349 7.179 0.182 1.00 0.00 C ATOM 645 C GLY A 41 -3.825 7.109 0.560 1.00 0.00 C ATOM 646 O GLY A 41 -4.377 6.019 0.708 1.00 0.00 O ATOM 0 H GLY A 41 -1.517 8.950 -0.542 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -2.018 6.199 -0.161 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.761 7.422 1.067 1.00 0.00 H new ATOM 650 N GLU A 42 -4.474 8.266 0.676 1.00 0.00 N ATOM 651 CA GLU A 42 -5.880 8.387 1.022 1.00 0.00 C ATOM 652 C GLU A 42 -6.726 7.652 -0.016 1.00 0.00 C ATOM 653 O GLU A 42 -7.619 6.881 0.343 1.00 0.00 O ATOM 654 CB GLU A 42 -6.233 9.879 1.093 1.00 0.00 C ATOM 655 CG GLU A 42 -5.629 10.595 2.320 1.00 0.00 C ATOM 656 CD GLU A 42 -6.642 10.900 3.424 1.00 0.00 C ATOM 657 OE1 GLU A 42 -7.727 11.447 3.087 1.00 0.00 O ATOM 658 OE2 GLU A 42 -6.298 10.685 4.607 1.00 0.00 O ATOM 0 H GLU A 42 -4.020 9.167 0.527 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.085 7.933 1.992 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.883 10.371 0.186 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.317 9.987 1.116 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.832 9.976 2.733 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.171 11.529 1.994 1.00 0.00 H new ATOM 665 N LYS A 43 -6.434 7.879 -1.299 1.00 0.00 N ATOM 666 CA LYS A 43 -7.280 7.446 -2.398 1.00 0.00 C ATOM 667 C LYS A 43 -6.853 6.092 -2.935 1.00 0.00 C ATOM 668 O LYS A 43 -7.669 5.172 -2.931 1.00 0.00 O ATOM 669 CB LYS A 43 -7.335 8.543 -3.471 1.00 0.00 C ATOM 670 CG LYS A 43 -7.980 9.808 -2.876 1.00 0.00 C ATOM 671 CD LYS A 43 -8.854 10.551 -3.891 1.00 0.00 C ATOM 672 CE LYS A 43 -9.710 11.605 -3.180 1.00 0.00 C ATOM 673 NZ LYS A 43 -10.772 11.005 -2.340 1.00 0.00 N ATOM 0 H LYS A 43 -5.594 8.374 -1.600 1.00 0.00 H new ATOM 0 HA LYS A 43 -8.297 7.298 -2.034 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.330 8.768 -3.829 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.910 8.198 -4.330 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -8.585 9.532 -2.013 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.198 10.476 -2.516 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.225 11.029 -4.642 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.496 9.844 -4.416 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.069 12.229 -2.557 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.166 12.259 -3.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.496 11.722 -2.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.209 10.210 -2.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.358 10.662 -1.450 1.00 0.00 H new ATOM 687 N VAL A 44 -5.602 5.947 -3.363 1.00 0.00 N ATOM 688 CA VAL A 44 -5.101 4.693 -3.896 1.00 0.00 C ATOM 689 C VAL A 44 -5.091 3.654 -2.779 1.00 0.00 C ATOM 690 O VAL A 44 -5.712 2.601 -2.913 1.00 0.00 O ATOM 691 CB VAL A 44 -3.711 4.868 -4.553 1.00 0.00 C ATOM 692 CG1 VAL A 44 -3.290 3.553 -5.219 1.00 0.00 C ATOM 693 CG2 VAL A 44 -3.689 6.020 -5.575 1.00 0.00 C ATOM 0 H VAL A 44 -4.911 6.697 -3.348 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.760 4.345 -4.691 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.001 5.128 -3.768 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.311 3.677 -5.682 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.239 2.765 -4.468 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.020 3.281 -5.982 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.692 6.103 -6.008 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.413 5.819 -6.365 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.946 6.954 -5.076 1.00 0.00 H new ATOM 703 N LEU A 45 -4.355 3.918 -1.696 1.00 0.00 N ATOM 704 CA LEU A 45 -4.024 2.882 -0.718 1.00 0.00 C ATOM 705 C LEU A 45 -5.125 2.668 0.320 1.00 0.00 C ATOM 706 O LEU A 45 -5.090 1.657 1.025 1.00 0.00 O ATOM 707 CB LEU A 45 -2.692 3.192 -0.017 1.00 0.00 C ATOM 708 CG LEU A 45 -1.489 3.366 -0.965 1.00 0.00 C ATOM 709 CD1 LEU A 45 -0.246 3.694 -0.136 1.00 0.00 C ATOM 710 CD2 LEU A 45 -1.189 2.087 -1.734 1.00 0.00 C ATOM 0 H LEU A 45 -3.978 4.840 -1.476 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.928 1.954 -1.281 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.809 4.103 0.570 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.471 2.388 0.685 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.736 4.162 -1.667 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.611 3.819 -0.798 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.412 4.617 0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.049 2.880 0.562 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.335 2.250 -2.391 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.959 1.286 -1.032 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.058 1.809 -2.330 1.00 0.00 H new ATOM 722 N GLY A 46 -6.081 3.591 0.430 1.00 0.00 N ATOM 723 CA GLY A 46 -7.145 3.535 1.417 1.00 0.00 C ATOM 724 C GLY A 46 -6.575 3.476 2.834 1.00 0.00 C ATOM 725 O GLY A 46 -6.899 2.557 3.594 1.00 0.00 O ATOM 0 H GLY A 46 -6.133 4.409 -0.177 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -7.787 4.410 1.315 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -7.769 2.660 1.235 1.00 0.00 H new ATOM 729 N LEU A 47 -5.698 4.426 3.170 1.00 0.00 N ATOM 730 CA LEU A 47 -5.091 4.609 4.485 1.00 0.00 C ATOM 731 C LEU A 47 -5.167 6.090 4.832 1.00 0.00 C ATOM 732 O LEU A 47 -5.079 6.923 3.927 1.00 0.00 O ATOM 733 CB LEU A 47 -3.617 4.168 4.436 1.00 0.00 C ATOM 734 CG LEU A 47 -3.430 2.645 4.348 1.00 0.00 C ATOM 735 CD1 LEU A 47 -1.986 2.321 3.971 1.00 0.00 C ATOM 736 CD2 LEU A 47 -3.772 1.965 5.676 1.00 0.00 C ATOM 0 H LEU A 47 -5.378 5.122 2.496 1.00 0.00 H new ATOM 0 HA LEU A 47 -5.613 4.014 5.234 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.136 4.634 3.576 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.107 4.537 5.326 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.108 2.267 3.583 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -1.860 1.240 3.910 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -1.753 2.769 3.005 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.313 2.723 4.729 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.630 0.889 5.581 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.120 2.349 6.460 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.811 2.172 5.934 1.00 0.00 H new ATOM 748 N SER A 48 -5.260 6.435 6.121 1.00 0.00 N ATOM 749 CA SER A 48 -5.147 7.822 6.541 1.00 0.00 C ATOM 750 C SER A 48 -3.777 8.357 6.154 1.00 0.00 C ATOM 751 O SER A 48 -2.802 7.598 6.069 1.00 0.00 O ATOM 752 CB SER A 48 -5.348 7.941 8.057 1.00 0.00 C ATOM 753 OG SER A 48 -4.362 7.226 8.778 1.00 0.00 O ATOM 0 H SER A 48 -5.412 5.772 6.881 1.00 0.00 H new ATOM 0 HA SER A 48 -5.920 8.408 6.044 1.00 0.00 H new ATOM 0 HB2 SER A 48 -5.318 8.992 8.346 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.336 7.565 8.323 1.00 0.00 H new ATOM 0 HG SER A 48 -4.522 7.327 9.740 1.00 0.00 H new ATOM 759 N GLN A 49 -3.708 9.680 6.009 1.00 0.00 N ATOM 760 CA GLN A 49 -2.453 10.384 5.791 1.00 0.00 C ATOM 761 C GLN A 49 -1.387 9.920 6.793 1.00 0.00 C ATOM 762 O GLN A 49 -0.234 9.742 6.403 1.00 0.00 O ATOM 763 CB GLN A 49 -2.671 11.909 5.851 1.00 0.00 C ATOM 764 CG GLN A 49 -1.375 12.601 5.407 1.00 0.00 C ATOM 765 CD GLN A 49 -1.410 14.123 5.413 1.00 0.00 C ATOM 766 OE1 GLN A 49 -2.343 14.739 4.911 1.00 0.00 O ATOM 767 NE2 GLN A 49 -0.359 14.755 5.911 1.00 0.00 N ATOM 0 H GLN A 49 -4.524 10.291 6.040 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.086 10.143 4.793 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.498 12.200 5.203 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.937 12.215 6.863 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -0.566 12.271 6.058 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.131 12.264 4.399 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.407 14.223 6.325 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.315 15.774 5.881 1.00 0.00 H new ATOM 776 N GLY A 50 -1.767 9.731 8.061 1.00 0.00 N ATOM 777 CA GLY A 50 -0.879 9.298 9.124 1.00 0.00 C ATOM 778 C GLY A 50 -0.316 7.910 8.860 1.00 0.00 C ATOM 779 O GLY A 50 0.905 7.755 8.785 1.00 0.00 O ATOM 0 H GLY A 50 -2.726 9.881 8.375 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -0.059 10.009 9.225 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -1.419 9.297 10.071 1.00 0.00 H new ATOM 783 N SER A 51 -1.184 6.906 8.709 1.00 0.00 N ATOM 784 CA SER A 51 -0.744 5.527 8.557 1.00 0.00 C ATOM 785 C SER A 51 0.160 5.371 7.338 1.00 0.00 C ATOM 786 O SER A 51 1.199 4.713 7.444 1.00 0.00 O ATOM 787 CB SER A 51 -1.959 4.598 8.510 1.00 0.00 C ATOM 788 OG SER A 51 -2.711 4.756 9.698 1.00 0.00 O ATOM 0 H SER A 51 -2.196 7.028 8.689 1.00 0.00 H new ATOM 0 HA SER A 51 -0.144 5.243 9.421 1.00 0.00 H new ATOM 0 HB2 SER A 51 -2.576 4.830 7.641 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.636 3.562 8.405 1.00 0.00 H new ATOM 0 HG SER A 51 -3.306 5.530 9.608 1.00 0.00 H new ATOM 794 N VAL A 52 -0.184 5.993 6.209 1.00 0.00 N ATOM 795 CA VAL A 52 0.641 5.940 5.018 1.00 0.00 C ATOM 796 C VAL A 52 1.993 6.618 5.249 1.00 0.00 C ATOM 797 O VAL A 52 2.994 6.082 4.779 1.00 0.00 O ATOM 798 CB VAL A 52 -0.169 6.522 3.833 1.00 0.00 C ATOM 799 CG1 VAL A 52 0.343 7.860 3.269 1.00 0.00 C ATOM 800 CG2 VAL A 52 -0.248 5.478 2.722 1.00 0.00 C ATOM 0 H VAL A 52 -1.037 6.542 6.102 1.00 0.00 H new ATOM 0 HA VAL A 52 0.892 4.909 4.768 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.154 6.756 4.236 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.296 8.176 2.444 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.324 8.617 4.053 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.364 7.736 2.909 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.817 5.881 1.884 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.758 5.224 2.389 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.742 4.582 3.099 1.00 0.00 H new ATOM 810 N SER A 53 2.033 7.749 5.965 1.00 0.00 N ATOM 811 CA SER A 53 3.238 8.530 6.213 1.00 0.00 C ATOM 812 C SER A 53 4.297 7.626 6.824 1.00 0.00 C ATOM 813 O SER A 53 5.413 7.517 6.317 1.00 0.00 O ATOM 814 CB SER A 53 2.885 9.692 7.154 1.00 0.00 C ATOM 815 OG SER A 53 3.885 10.682 7.265 1.00 0.00 O ATOM 0 H SER A 53 1.201 8.152 6.397 1.00 0.00 H new ATOM 0 HA SER A 53 3.634 8.941 5.285 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.966 10.160 6.803 1.00 0.00 H new ATOM 0 HB3 SER A 53 2.679 9.289 8.146 1.00 0.00 H new ATOM 0 HG SER A 53 3.583 11.384 7.878 1.00 0.00 H new ATOM 821 N ASP A 54 3.943 6.962 7.926 1.00 0.00 N ATOM 822 CA ASP A 54 4.891 6.113 8.629 1.00 0.00 C ATOM 823 C ASP A 54 5.308 4.915 7.775 1.00 0.00 C ATOM 824 O ASP A 54 6.458 4.484 7.836 1.00 0.00 O ATOM 825 CB ASP A 54 4.289 5.654 9.951 1.00 0.00 C ATOM 826 CG ASP A 54 5.365 4.937 10.758 1.00 0.00 C ATOM 827 OD1 ASP A 54 6.184 5.653 11.390 1.00 0.00 O ATOM 828 OD2 ASP A 54 5.367 3.687 10.785 1.00 0.00 O ATOM 0 H ASP A 54 3.013 6.999 8.344 1.00 0.00 H new ATOM 0 HA ASP A 54 5.790 6.695 8.831 1.00 0.00 H new ATOM 0 HB2 ASP A 54 3.906 6.509 10.508 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.446 4.987 9.770 1.00 0.00 H new ATOM 833 N MET A 55 4.394 4.421 6.935 1.00 0.00 N ATOM 834 CA MET A 55 4.636 3.326 6.015 1.00 0.00 C ATOM 835 C MET A 55 5.725 3.702 5.018 1.00 0.00 C ATOM 836 O MET A 55 6.766 3.058 4.990 1.00 0.00 O ATOM 837 CB MET A 55 3.327 2.917 5.313 1.00 0.00 C ATOM 838 CG MET A 55 3.074 1.449 5.613 1.00 0.00 C ATOM 839 SD MET A 55 1.482 0.730 5.143 1.00 0.00 S ATOM 840 CE MET A 55 0.396 1.499 6.373 1.00 0.00 C ATOM 0 H MET A 55 3.443 4.787 6.881 1.00 0.00 H new ATOM 0 HA MET A 55 4.991 2.460 6.574 1.00 0.00 H new ATOM 0 HB2 MET A 55 2.497 3.527 5.668 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.404 3.079 4.238 1.00 0.00 H new ATOM 0 HG2 MET A 55 3.856 0.871 5.121 1.00 0.00 H new ATOM 0 HG3 MET A 55 3.198 1.304 6.686 1.00 0.00 H new ATOM 0 HE1 MET A 55 -0.618 1.117 6.253 1.00 0.00 H new ATOM 0 HE2 MET A 55 0.757 1.264 7.374 1.00 0.00 H new ATOM 0 HE3 MET A 55 0.395 2.580 6.232 1.00 0.00 H new ATOM 850 N LEU A 56 5.498 4.727 4.200 1.00 0.00 N ATOM 851 CA LEU A 56 6.472 5.221 3.235 1.00 0.00 C ATOM 852 C LEU A 56 7.780 5.681 3.879 1.00 0.00 C ATOM 853 O LEU A 56 8.819 5.600 3.219 1.00 0.00 O ATOM 854 CB LEU A 56 5.881 6.392 2.450 1.00 0.00 C ATOM 855 CG LEU A 56 4.548 6.109 1.741 1.00 0.00 C ATOM 856 CD1 LEU A 56 4.215 7.328 0.891 1.00 0.00 C ATOM 857 CD2 LEU A 56 4.571 4.833 0.891 1.00 0.00 C ATOM 0 H LEU A 56 4.619 5.244 4.190 1.00 0.00 H new ATOM 0 HA LEU A 56 6.702 4.382 2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.738 7.229 3.133 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.609 6.710 1.704 1.00 0.00 H new ATOM 0 HG LEU A 56 3.780 5.933 2.494 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.271 7.162 0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.127 8.205 1.532 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.008 7.490 0.161 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.599 4.693 0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 56 5.339 4.922 0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.792 3.976 1.527 1.00 0.00 H new ATOM 869 N SER A 57 7.750 6.168 5.122 1.00 0.00 N ATOM 870 CA SER A 57 8.950 6.477 5.884 1.00 0.00 C ATOM 871 C SER A 57 9.756 5.213 6.185 1.00 0.00 C ATOM 872 O SER A 57 10.952 5.193 5.902 1.00 0.00 O ATOM 873 CB SER A 57 8.551 7.153 7.197 1.00 0.00 C ATOM 874 OG SER A 57 8.283 8.527 7.012 1.00 0.00 O ATOM 0 H SER A 57 6.884 6.358 5.626 1.00 0.00 H new ATOM 0 HA SER A 57 9.574 7.144 5.290 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.669 6.661 7.607 1.00 0.00 H new ATOM 0 HB3 SER A 57 9.351 7.033 7.927 1.00 0.00 H new ATOM 0 HG SER A 57 7.343 8.646 6.762 1.00 0.00 H new ATOM 880 N ARG A 58 9.144 4.179 6.775 1.00 0.00 N ATOM 881 CA ARG A 58 9.855 2.980 7.214 1.00 0.00 C ATOM 882 C ARG A 58 8.998 1.738 6.959 1.00 0.00 C ATOM 883 O ARG A 58 8.417 1.181 7.903 1.00 0.00 O ATOM 884 CB ARG A 58 10.329 3.116 8.670 1.00 0.00 C ATOM 885 CG ARG A 58 9.264 3.501 9.713 1.00 0.00 C ATOM 886 CD ARG A 58 9.157 5.010 9.971 1.00 0.00 C ATOM 887 NE ARG A 58 8.962 5.267 11.405 1.00 0.00 N ATOM 888 CZ ARG A 58 9.935 5.285 12.327 1.00 0.00 C ATOM 889 NH1 ARG A 58 11.219 5.278 11.976 1.00 0.00 N ATOM 890 NH2 ARG A 58 9.648 5.283 13.621 1.00 0.00 N ATOM 0 H ARG A 58 8.141 4.154 6.960 1.00 0.00 H new ATOM 0 HA ARG A 58 10.763 2.860 6.623 1.00 0.00 H new ATOM 0 HB2 ARG A 58 10.774 2.168 8.973 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.121 3.864 8.701 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.294 3.130 9.380 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.492 2.998 10.653 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.061 5.511 9.624 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.324 5.425 9.403 1.00 0.00 H new ATOM 0 HE ARG A 58 8.010 5.446 11.724 1.00 0.00 H new ATOM 0 HH11 ARG A 58 11.478 5.259 10.990 1.00 0.00 H new ATOM 0 HH12 ARG A 58 11.944 5.292 12.693 1.00 0.00 H new ATOM 0 HH21 ARG A 58 8.675 5.268 13.928 1.00 0.00 H new ATOM 0 HH22 ARG A 58 10.400 5.297 14.310 1.00 0.00 H new ATOM 904 N PRO A 59 8.923 1.272 5.700 1.00 0.00 N ATOM 905 CA PRO A 59 8.069 0.150 5.351 1.00 0.00 C ATOM 906 C PRO A 59 8.575 -1.110 6.043 1.00 0.00 C ATOM 907 O PRO A 59 9.727 -1.176 6.481 1.00 0.00 O ATOM 908 CB PRO A 59 8.118 0.031 3.831 1.00 0.00 C ATOM 909 CG PRO A 59 9.411 0.730 3.441 1.00 0.00 C ATOM 910 CD PRO A 59 9.617 1.782 4.526 1.00 0.00 C ATOM 0 HA PRO A 59 7.039 0.293 5.678 1.00 0.00 H new ATOM 0 HB2 PRO A 59 8.118 -1.012 3.513 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.254 0.506 3.367 1.00 0.00 H new ATOM 0 HG2 PRO A 59 10.245 0.030 3.403 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.334 1.187 2.454 1.00 0.00 H new ATOM 0 HD2 PRO A 59 10.677 1.932 4.731 1.00 0.00 H new ATOM 0 HD3 PRO A 59 9.212 2.746 4.219 1.00 0.00 H new ATOM 918 N LYS A 60 7.709 -2.120 6.156 1.00 0.00 N ATOM 919 CA LYS A 60 7.937 -3.230 7.061 1.00 0.00 C ATOM 920 C LYS A 60 8.215 -4.515 6.286 1.00 0.00 C ATOM 921 O LYS A 60 7.800 -4.629 5.129 1.00 0.00 O ATOM 922 CB LYS A 60 6.772 -3.301 8.066 1.00 0.00 C ATOM 923 CG LYS A 60 6.834 -2.168 9.107 1.00 0.00 C ATOM 924 CD LYS A 60 7.983 -2.329 10.116 1.00 0.00 C ATOM 925 CE LYS A 60 7.999 -1.163 11.108 1.00 0.00 C ATOM 926 NZ LYS A 60 8.653 0.054 10.580 1.00 0.00 N ATOM 0 H LYS A 60 6.841 -2.184 5.625 1.00 0.00 H new ATOM 0 HA LYS A 60 8.840 -3.079 7.653 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.826 -3.246 7.528 1.00 0.00 H new ATOM 0 HB3 LYS A 60 6.793 -4.264 8.577 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.945 -1.215 8.590 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.888 -2.129 9.648 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.871 -3.270 10.655 1.00 0.00 H new ATOM 0 HD3 LYS A 60 8.935 -2.376 9.587 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.974 -0.922 11.389 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.513 -1.477 12.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.371 0.876 11.152 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 9.686 -0.060 10.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.363 0.204 9.593 1.00 0.00 H new ATOM 940 N PRO A 61 8.949 -5.459 6.895 1.00 0.00 N ATOM 941 CA PRO A 61 9.519 -6.595 6.197 1.00 0.00 C ATOM 942 C PRO A 61 8.421 -7.538 5.708 1.00 0.00 C ATOM 943 O PRO A 61 7.503 -7.880 6.460 1.00 0.00 O ATOM 944 CB PRO A 61 10.485 -7.252 7.189 1.00 0.00 C ATOM 945 CG PRO A 61 10.128 -6.708 8.564 1.00 0.00 C ATOM 946 CD PRO A 61 9.350 -5.439 8.291 1.00 0.00 C ATOM 0 HA PRO A 61 10.056 -6.302 5.295 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.388 -8.337 7.164 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.519 -7.019 6.936 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.531 -7.424 9.129 1.00 0.00 H new ATOM 0 HG3 PRO A 61 11.022 -6.504 9.153 1.00 0.00 H new ATOM 0 HD2 PRO A 61 8.476 -5.379 8.939 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.963 -4.562 8.501 1.00 0.00 H new ATOM 954 N TRP A 62 8.522 -7.976 4.451 1.00 0.00 N ATOM 955 CA TRP A 62 7.540 -8.852 3.812 1.00 0.00 C ATOM 956 C TRP A 62 7.391 -10.200 4.536 1.00 0.00 C ATOM 957 O TRP A 62 6.302 -10.775 4.535 1.00 0.00 O ATOM 958 CB TRP A 62 7.960 -9.075 2.358 1.00 0.00 C ATOM 959 CG TRP A 62 6.911 -9.654 1.469 1.00 0.00 C ATOM 960 CD1 TRP A 62 6.772 -10.966 1.179 1.00 0.00 C ATOM 961 CD2 TRP A 62 5.847 -8.971 0.739 1.00 0.00 C ATOM 962 NE1 TRP A 62 5.783 -11.122 0.234 1.00 0.00 N ATOM 963 CE2 TRP A 62 5.161 -9.934 -0.048 1.00 0.00 C ATOM 964 CE3 TRP A 62 5.405 -7.636 0.631 1.00 0.00 C ATOM 965 CZ2 TRP A 62 4.105 -9.599 -0.894 1.00 0.00 C ATOM 966 CZ3 TRP A 62 4.324 -7.289 -0.211 1.00 0.00 C ATOM 967 CH2 TRP A 62 3.667 -8.271 -0.965 1.00 0.00 C ATOM 0 H TRP A 62 9.300 -7.728 3.840 1.00 0.00 H new ATOM 0 HA TRP A 62 6.566 -8.366 3.861 1.00 0.00 H new ATOM 0 HB2 TRP A 62 8.280 -8.121 1.940 1.00 0.00 H new ATOM 0 HB3 TRP A 62 8.827 -9.735 2.346 1.00 0.00 H new ATOM 0 HD1 TRP A 62 7.347 -11.767 1.620 1.00 0.00 H new ATOM 0 HE1 TRP A 62 5.543 -12.012 -0.202 1.00 0.00 H new ATOM 0 HE3 TRP A 62 5.901 -6.865 1.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 3.627 -10.361 -1.492 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 4.002 -6.260 -0.274 1.00 0.00 H new ATOM 0 HH2 TRP A 62 2.831 -8.006 -1.595 1.00 0.00 H new ATOM 978 N SER A 63 8.458 -10.673 5.190 1.00 0.00 N ATOM 979 CA SER A 63 8.450 -11.864 6.035 1.00 0.00 C ATOM 980 C SER A 63 7.449 -11.719 7.185 1.00 0.00 C ATOM 981 O SER A 63 6.651 -12.618 7.438 1.00 0.00 O ATOM 982 CB SER A 63 9.865 -12.153 6.563 1.00 0.00 C ATOM 983 OG SER A 63 10.480 -11.006 7.136 1.00 0.00 O ATOM 0 H SER A 63 9.372 -10.224 5.142 1.00 0.00 H new ATOM 0 HA SER A 63 8.131 -12.712 5.430 1.00 0.00 H new ATOM 0 HB2 SER A 63 9.815 -12.945 7.310 1.00 0.00 H new ATOM 0 HB3 SER A 63 10.485 -12.523 5.746 1.00 0.00 H new ATOM 0 HG SER A 63 11.375 -11.241 7.458 1.00 0.00 H new ATOM 989 N LYS A 64 7.485 -10.575 7.868 1.00 0.00 N ATOM 990 CA LYS A 64 6.577 -10.217 8.944 1.00 0.00 C ATOM 991 C LYS A 64 5.171 -9.963 8.400 1.00 0.00 C ATOM 992 O LYS A 64 4.200 -10.414 9.013 1.00 0.00 O ATOM 993 CB LYS A 64 7.256 -9.121 9.774 1.00 0.00 C ATOM 994 CG LYS A 64 6.571 -7.781 9.911 1.00 0.00 C ATOM 995 CD LYS A 64 5.221 -7.931 10.638 1.00 0.00 C ATOM 996 CE LYS A 64 5.240 -7.294 12.021 1.00 0.00 C ATOM 997 NZ LYS A 64 3.885 -7.207 12.594 1.00 0.00 N ATOM 0 H LYS A 64 8.175 -9.849 7.676 1.00 0.00 H new ATOM 0 HA LYS A 64 6.388 -11.025 9.651 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.412 -9.516 10.778 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.242 -8.945 9.344 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.212 -7.094 10.463 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.412 -7.346 8.924 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.434 -7.472 10.039 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.975 -8.989 10.730 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.879 -7.878 12.683 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.674 -6.296 11.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.934 -6.769 13.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.282 -6.629 11.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 3.481 -8.162 12.677 1.00 0.00 H new ATOM 1011 N LEU A 65 5.042 -9.227 7.295 1.00 0.00 N ATOM 1012 CA LEU A 65 3.746 -8.703 6.891 1.00 0.00 C ATOM 1013 C LEU A 65 2.874 -9.810 6.314 1.00 0.00 C ATOM 1014 O LEU A 65 3.240 -10.479 5.344 1.00 0.00 O ATOM 1015 CB LEU A 65 3.877 -7.560 5.882 1.00 0.00 C ATOM 1016 CG LEU A 65 4.365 -6.231 6.488 1.00 0.00 C ATOM 1017 CD1 LEU A 65 4.556 -5.256 5.334 1.00 0.00 C ATOM 1018 CD2 LEU A 65 3.382 -5.613 7.489 1.00 0.00 C ATOM 0 H LEU A 65 5.813 -8.985 6.673 1.00 0.00 H new ATOM 0 HA LEU A 65 3.271 -8.303 7.787 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.569 -7.863 5.096 1.00 0.00 H new ATOM 0 HB3 LEU A 65 2.909 -7.396 5.409 1.00 0.00 H new ATOM 0 HG LEU A 65 5.285 -6.430 7.038 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.903 -4.298 5.721 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.295 -5.655 4.639 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.608 -5.116 4.815 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.793 -4.680 7.874 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.433 -5.413 6.991 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.220 -6.306 8.315 1.00 0.00 H new ATOM 1030 N THR A 66 1.701 -9.969 6.913 1.00 0.00 N ATOM 1031 CA THR A 66 0.646 -10.907 6.537 1.00 0.00 C ATOM 1032 C THR A 66 0.039 -10.564 5.176 1.00 0.00 C ATOM 1033 O THR A 66 0.227 -9.449 4.697 1.00 0.00 O ATOM 1034 CB THR A 66 -0.436 -10.875 7.624 1.00 0.00 C ATOM 1035 OG1 THR A 66 -0.872 -9.550 7.915 1.00 0.00 O ATOM 1036 CG2 THR A 66 0.132 -11.514 8.886 1.00 0.00 C ATOM 0 H THR A 66 1.442 -9.411 7.727 1.00 0.00 H new ATOM 0 HA THR A 66 1.074 -11.906 6.452 1.00 0.00 H new ATOM 0 HB THR A 66 -1.304 -11.426 7.260 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.562 -9.578 8.611 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.623 -11.501 9.672 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.418 -12.544 8.675 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.008 -10.954 9.215 1.00 0.00 H new ATOM 1044 N GLN A 67 -0.778 -11.462 4.613 1.00 0.00 N ATOM 1045 CA GLN A 67 -1.655 -11.187 3.478 1.00 0.00 C ATOM 1046 C GLN A 67 -2.359 -9.831 3.636 1.00 0.00 C ATOM 1047 O GLN A 67 -2.091 -8.914 2.860 1.00 0.00 O ATOM 1048 CB GLN A 67 -2.650 -12.349 3.307 1.00 0.00 C ATOM 1049 CG GLN A 67 -2.094 -13.462 2.406 1.00 0.00 C ATOM 1050 CD GLN A 67 -3.181 -14.454 1.996 1.00 0.00 C ATOM 1051 OE1 GLN A 67 -3.345 -15.511 2.598 1.00 0.00 O ATOM 1052 NE2 GLN A 67 -3.968 -14.138 0.978 1.00 0.00 N ATOM 0 H GLN A 67 -0.846 -12.424 4.946 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.059 -11.116 2.568 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.893 -12.764 4.285 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.579 -11.970 2.882 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.650 -13.020 1.514 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.298 -13.991 2.930 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.829 -13.259 0.480 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.713 -14.774 0.693 1.00 0.00 H new ATOM 1061 N LYS A 68 -3.191 -9.646 4.671 1.00 0.00 N ATOM 1062 CA LYS A 68 -3.867 -8.357 4.869 1.00 0.00 C ATOM 1063 C LYS A 68 -2.886 -7.213 5.121 1.00 0.00 C ATOM 1064 O LYS A 68 -3.152 -6.067 4.757 1.00 0.00 O ATOM 1065 CB LYS A 68 -4.913 -8.476 5.984 1.00 0.00 C ATOM 1066 CG LYS A 68 -5.798 -7.221 6.085 1.00 0.00 C ATOM 1067 CD LYS A 68 -5.524 -6.367 7.330 1.00 0.00 C ATOM 1068 CE LYS A 68 -6.130 -6.928 8.624 1.00 0.00 C ATOM 1069 NZ LYS A 68 -7.608 -6.880 8.599 1.00 0.00 N ATOM 0 H LYS A 68 -3.409 -10.356 5.370 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.381 -8.104 3.942 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.541 -9.348 5.800 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -4.409 -8.641 6.936 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.647 -6.609 5.196 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.845 -7.525 6.088 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.446 -6.269 7.460 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.917 -5.364 7.163 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.801 -7.958 8.764 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.761 -6.357 9.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.977 -7.055 9.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.919 -5.943 8.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.968 -7.609 7.950 1.00 0.00 H new ATOM 1083 N GLY A 69 -1.736 -7.500 5.725 1.00 0.00 N ATOM 1084 CA GLY A 69 -0.686 -6.508 5.896 1.00 0.00 C ATOM 1085 C GLY A 69 -0.158 -5.987 4.561 1.00 0.00 C ATOM 1086 O GLY A 69 0.165 -4.802 4.442 1.00 0.00 O ATOM 0 H GLY A 69 -1.510 -8.419 6.106 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.070 -5.674 6.483 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.135 -6.946 6.463 1.00 0.00 H new ATOM 1090 N ARG A 70 -0.060 -6.857 3.560 1.00 0.00 N ATOM 1091 CA ARG A 70 0.448 -6.550 2.232 1.00 0.00 C ATOM 1092 C ARG A 70 -0.597 -5.854 1.362 1.00 0.00 C ATOM 1093 O ARG A 70 -0.197 -5.232 0.389 1.00 0.00 O ATOM 1094 CB ARG A 70 0.908 -7.854 1.558 1.00 0.00 C ATOM 1095 CG ARG A 70 2.078 -8.552 2.282 1.00 0.00 C ATOM 1096 CD ARG A 70 2.098 -10.028 1.893 1.00 0.00 C ATOM 1097 NE ARG A 70 3.174 -10.784 2.547 1.00 0.00 N ATOM 1098 CZ ARG A 70 3.553 -12.023 2.213 1.00 0.00 C ATOM 1099 NH1 ARG A 70 2.915 -12.688 1.250 1.00 0.00 N ATOM 1100 NH2 ARG A 70 4.577 -12.583 2.854 1.00 0.00 N ATOM 0 H ARG A 70 -0.344 -7.832 3.658 1.00 0.00 H new ATOM 0 HA ARG A 70 1.286 -5.862 2.340 1.00 0.00 H new ATOM 0 HB2 ARG A 70 0.064 -8.542 1.505 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.206 -7.636 0.532 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.022 -8.079 2.012 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.967 -8.449 3.361 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.139 -10.478 2.150 1.00 0.00 H new ATOM 0 HD3 ARG A 70 2.210 -10.111 0.812 1.00 0.00 H new ATOM 0 HE ARG A 70 3.670 -10.330 3.314 1.00 0.00 H new ATOM 0 HH11 ARG A 70 2.132 -12.253 0.762 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.210 -13.632 1.001 1.00 0.00 H new ATOM 0 HH21 ARG A 70 5.062 -12.068 3.589 1.00 0.00 H new ATOM 0 HH22 ARG A 70 4.877 -13.527 2.610 1.00 0.00 H new ATOM 1114 N GLU A 71 -1.896 -5.891 1.676 1.00 0.00 N ATOM 1115 CA GLU A 71 -2.957 -5.320 0.830 1.00 0.00 C ATOM 1116 C GLU A 71 -2.690 -3.881 0.338 1.00 0.00 C ATOM 1117 O GLU A 71 -2.802 -3.646 -0.869 1.00 0.00 O ATOM 1118 CB GLU A 71 -4.329 -5.414 1.525 1.00 0.00 C ATOM 1119 CG GLU A 71 -4.953 -6.800 1.337 1.00 0.00 C ATOM 1120 CD GLU A 71 -6.350 -6.943 1.947 1.00 0.00 C ATOM 1121 OE1 GLU A 71 -7.297 -6.302 1.428 1.00 0.00 O ATOM 1122 OE2 GLU A 71 -6.544 -7.833 2.806 1.00 0.00 O ATOM 0 H GLU A 71 -2.247 -6.321 2.532 1.00 0.00 H new ATOM 0 HA GLU A 71 -2.961 -5.935 -0.070 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.216 -5.205 2.589 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -4.997 -4.654 1.120 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.009 -7.020 0.271 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.295 -7.546 1.782 1.00 0.00 H new ATOM 1129 N PRO A 72 -2.322 -2.903 1.191 1.00 0.00 N ATOM 1130 CA PRO A 72 -1.995 -1.563 0.708 1.00 0.00 C ATOM 1131 C PRO A 72 -0.715 -1.599 -0.139 1.00 0.00 C ATOM 1132 O PRO A 72 -0.676 -1.057 -1.244 1.00 0.00 O ATOM 1133 CB PRO A 72 -1.892 -0.687 1.964 1.00 0.00 C ATOM 1134 CG PRO A 72 -1.570 -1.671 3.090 1.00 0.00 C ATOM 1135 CD PRO A 72 -2.263 -2.957 2.646 1.00 0.00 C ATOM 0 HA PRO A 72 -2.752 -1.150 0.041 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -1.111 0.067 1.860 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.824 -0.156 2.155 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.495 -1.813 3.204 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -1.949 -1.321 4.050 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -1.709 -3.834 2.981 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.263 -3.029 3.074 1.00 0.00 H new ATOM 1143 N PHE A 73 0.318 -2.300 0.321 1.00 0.00 N ATOM 1144 CA PHE A 73 1.581 -2.422 -0.390 1.00 0.00 C ATOM 1145 C PHE A 73 1.420 -3.032 -1.786 1.00 0.00 C ATOM 1146 O PHE A 73 2.147 -2.650 -2.697 1.00 0.00 O ATOM 1147 CB PHE A 73 2.538 -3.277 0.438 1.00 0.00 C ATOM 1148 CG PHE A 73 3.187 -2.545 1.597 1.00 0.00 C ATOM 1149 CD1 PHE A 73 4.364 -1.815 1.369 1.00 0.00 C ATOM 1150 CD2 PHE A 73 2.678 -2.635 2.906 1.00 0.00 C ATOM 1151 CE1 PHE A 73 5.031 -1.179 2.420 1.00 0.00 C ATOM 1152 CE2 PHE A 73 3.347 -2.000 3.970 1.00 0.00 C ATOM 1153 CZ PHE A 73 4.527 -1.272 3.726 1.00 0.00 C ATOM 0 H PHE A 73 0.298 -2.804 1.208 1.00 0.00 H new ATOM 0 HA PHE A 73 1.980 -1.417 -0.528 1.00 0.00 H new ATOM 0 HB2 PHE A 73 1.994 -4.138 0.827 1.00 0.00 H new ATOM 0 HB3 PHE A 73 3.320 -3.663 -0.216 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.760 -1.744 0.367 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.772 -3.192 3.095 1.00 0.00 H new ATOM 0 HE1 PHE A 73 5.933 -0.617 2.227 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.955 -2.071 4.974 1.00 0.00 H new ATOM 0 HZ PHE A 73 5.043 -0.787 4.542 1.00 0.00 H new ATOM 1163 N ILE A 74 0.500 -3.974 -1.975 1.00 0.00 N ATOM 1164 CA ILE A 74 0.187 -4.608 -3.249 1.00 0.00 C ATOM 1165 C ILE A 74 -0.312 -3.557 -4.237 1.00 0.00 C ATOM 1166 O ILE A 74 0.148 -3.539 -5.382 1.00 0.00 O ATOM 1167 CB ILE A 74 -0.879 -5.712 -2.970 1.00 0.00 C ATOM 1168 CG1 ILE A 74 -0.182 -7.025 -2.580 1.00 0.00 C ATOM 1169 CG2 ILE A 74 -1.885 -5.970 -4.112 1.00 0.00 C ATOM 1170 CD1 ILE A 74 -1.030 -7.956 -1.722 1.00 0.00 C ATOM 0 H ILE A 74 -0.072 -4.331 -1.210 1.00 0.00 H new ATOM 0 HA ILE A 74 1.067 -5.068 -3.698 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.479 -5.324 -2.147 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.108 -7.552 -3.489 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.736 -6.789 -2.041 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.580 -6.755 -3.814 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.439 -5.055 -4.322 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.347 -6.282 -5.007 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.462 -8.858 -1.493 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -1.299 -7.451 -0.794 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.936 -8.226 -2.264 1.00 0.00 H new ATOM 1182 N ARG A 75 -1.228 -2.676 -3.818 1.00 0.00 N ATOM 1183 CA ARG A 75 -1.674 -1.572 -4.644 1.00 0.00 C ATOM 1184 C ARG A 75 -0.500 -0.656 -4.960 1.00 0.00 C ATOM 1185 O ARG A 75 -0.400 -0.216 -6.099 1.00 0.00 O ATOM 1186 CB ARG A 75 -2.776 -0.803 -3.918 1.00 0.00 C ATOM 1187 CG ARG A 75 -4.166 -1.434 -4.066 1.00 0.00 C ATOM 1188 CD ARG A 75 -5.163 -0.473 -3.410 1.00 0.00 C ATOM 1189 NE ARG A 75 -6.561 -0.911 -3.490 1.00 0.00 N ATOM 1190 CZ ARG A 75 -7.143 -1.880 -2.780 1.00 0.00 C ATOM 1191 NH1 ARG A 75 -6.421 -2.668 -1.986 1.00 0.00 N ATOM 1192 NH2 ARG A 75 -8.454 -2.037 -2.861 1.00 0.00 N ATOM 0 H ARG A 75 -1.672 -2.716 -2.901 1.00 0.00 H new ATOM 0 HA ARG A 75 -2.074 -1.957 -5.582 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.526 -0.740 -2.859 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.807 0.218 -4.300 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.411 -1.586 -5.117 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.199 -2.412 -3.586 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -4.893 -0.347 -2.362 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -5.073 0.505 -3.883 1.00 0.00 H new ATOM 0 HE ARG A 75 -7.153 -0.422 -4.161 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.412 -2.534 -1.916 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.877 -3.405 -1.448 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -9.005 -1.422 -3.460 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.914 -2.773 -2.325 1.00 0.00 H new ATOM 1206 N MET A 76 0.398 -0.394 -4.001 1.00 0.00 N ATOM 1207 CA MET A 76 1.602 0.387 -4.246 1.00 0.00 C ATOM 1208 C MET A 76 2.403 -0.182 -5.425 1.00 0.00 C ATOM 1209 O MET A 76 2.792 0.574 -6.313 1.00 0.00 O ATOM 1210 CB MET A 76 2.450 0.457 -2.959 1.00 0.00 C ATOM 1211 CG MET A 76 2.791 1.902 -2.631 1.00 0.00 C ATOM 1212 SD MET A 76 4.109 2.197 -1.420 1.00 0.00 S ATOM 1213 CE MET A 76 3.314 1.547 0.065 1.00 0.00 C ATOM 0 H MET A 76 0.304 -0.720 -3.039 1.00 0.00 H new ATOM 0 HA MET A 76 1.314 1.401 -4.522 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.903 0.008 -2.130 1.00 0.00 H new ATOM 0 HB3 MET A 76 3.366 -0.120 -3.087 1.00 0.00 H new ATOM 0 HG2 MET A 76 3.069 2.401 -3.559 1.00 0.00 H new ATOM 0 HG3 MET A 76 1.885 2.387 -2.267 1.00 0.00 H new ATOM 0 HE1 MET A 76 3.918 1.792 0.938 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.324 1.991 0.172 1.00 0.00 H new ATOM 0 HE3 MET A 76 3.219 0.464 -0.018 1.00 0.00 H new ATOM 1223 N GLN A 77 2.628 -1.501 -5.435 1.00 0.00 N ATOM 1224 CA GLN A 77 3.400 -2.199 -6.464 1.00 0.00 C ATOM 1225 C GLN A 77 2.715 -2.102 -7.821 1.00 0.00 C ATOM 1226 O GLN A 77 3.365 -1.856 -8.829 1.00 0.00 O ATOM 1227 CB GLN A 77 3.548 -3.684 -6.105 1.00 0.00 C ATOM 1228 CG GLN A 77 4.342 -3.914 -4.817 1.00 0.00 C ATOM 1229 CD GLN A 77 4.174 -5.293 -4.204 1.00 0.00 C ATOM 1230 OE1 GLN A 77 4.455 -6.317 -4.812 1.00 0.00 O ATOM 1231 NE2 GLN A 77 3.735 -5.358 -2.959 1.00 0.00 N ATOM 0 H GLN A 77 2.270 -2.124 -4.711 1.00 0.00 H new ATOM 0 HA GLN A 77 4.380 -1.724 -6.515 1.00 0.00 H new ATOM 0 HB2 GLN A 77 2.558 -4.126 -5.998 1.00 0.00 H new ATOM 0 HB3 GLN A 77 4.042 -4.203 -6.927 1.00 0.00 H new ATOM 0 HG2 GLN A 77 5.399 -3.750 -5.024 1.00 0.00 H new ATOM 0 HG3 GLN A 77 4.042 -3.166 -4.083 1.00 0.00 H new ATOM 0 HE21 GLN A 77 3.502 -4.502 -2.455 1.00 0.00 H new ATOM 0 HE22 GLN A 77 3.630 -6.264 -2.502 1.00 0.00 H new ATOM 1240 N LEU A 78 1.401 -2.327 -7.856 1.00 0.00 N ATOM 1241 CA LEU A 78 0.653 -2.326 -9.102 1.00 0.00 C ATOM 1242 C LEU A 78 0.617 -0.927 -9.674 1.00 0.00 C ATOM 1243 O LEU A 78 1.019 -0.756 -10.820 1.00 0.00 O ATOM 1244 CB LEU A 78 -0.752 -2.906 -8.868 1.00 0.00 C ATOM 1245 CG LEU A 78 -0.701 -4.446 -8.802 1.00 0.00 C ATOM 1246 CD1 LEU A 78 -1.888 -5.014 -8.025 1.00 0.00 C ATOM 1247 CD2 LEU A 78 -0.668 -5.069 -10.200 1.00 0.00 C ATOM 0 H LEU A 78 0.835 -2.513 -7.028 1.00 0.00 H new ATOM 0 HA LEU A 78 1.145 -2.963 -9.837 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.164 -2.511 -7.940 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.419 -2.593 -9.672 1.00 0.00 H new ATOM 0 HG LEU A 78 0.220 -4.703 -8.279 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.819 -6.102 -7.999 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.876 -4.625 -7.007 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.817 -4.721 -8.514 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.632 -6.155 -10.114 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -1.563 -4.778 -10.749 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.215 -4.718 -10.734 1.00 0.00 H new ATOM 1259 N TRP A 79 0.188 0.065 -8.889 1.00 0.00 N ATOM 1260 CA TRP A 79 0.076 1.463 -9.290 1.00 0.00 C ATOM 1261 C TRP A 79 1.312 1.961 -10.045 1.00 0.00 C ATOM 1262 O TRP A 79 1.162 2.767 -10.967 1.00 0.00 O ATOM 1263 CB TRP A 79 -0.159 2.314 -8.029 1.00 0.00 C ATOM 1264 CG TRP A 79 -0.082 3.802 -8.204 1.00 0.00 C ATOM 1265 CD1 TRP A 79 -1.086 4.651 -8.534 1.00 0.00 C ATOM 1266 CD2 TRP A 79 1.116 4.625 -8.134 1.00 0.00 C ATOM 1267 NE1 TRP A 79 -0.602 5.941 -8.606 1.00 0.00 N ATOM 1268 CE2 TRP A 79 0.759 5.976 -8.411 1.00 0.00 C ATOM 1269 CE3 TRP A 79 2.482 4.347 -7.927 1.00 0.00 C ATOM 1270 CZ2 TRP A 79 1.717 6.991 -8.509 1.00 0.00 C ATOM 1271 CZ3 TRP A 79 3.449 5.356 -8.058 1.00 0.00 C ATOM 1272 CH2 TRP A 79 3.069 6.674 -8.335 1.00 0.00 C ATOM 0 H TRP A 79 -0.100 -0.093 -7.923 1.00 0.00 H new ATOM 0 HA TRP A 79 -0.763 1.555 -9.980 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -1.143 2.068 -7.629 1.00 0.00 H new ATOM 0 HB3 TRP A 79 0.574 2.020 -7.277 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -2.111 4.361 -8.714 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -1.179 6.763 -8.781 1.00 0.00 H new ATOM 0 HE3 TRP A 79 2.789 3.345 -7.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 1.417 8.007 -8.717 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 4.495 5.113 -7.944 1.00 0.00 H new ATOM 0 HH2 TRP A 79 3.819 7.447 -8.415 1.00 0.00 H new ATOM 1283 N LEU A 80 2.512 1.497 -9.676 1.00 0.00 N ATOM 1284 CA LEU A 80 3.765 1.866 -10.331 1.00 0.00 C ATOM 1285 C LEU A 80 3.657 1.673 -11.842 1.00 0.00 C ATOM 1286 O LEU A 80 4.037 2.589 -12.573 1.00 0.00 O ATOM 1287 CB LEU A 80 4.943 1.058 -9.752 1.00 0.00 C ATOM 1288 CG LEU A 80 5.714 1.817 -8.659 1.00 0.00 C ATOM 1289 CD1 LEU A 80 6.418 0.808 -7.758 1.00 0.00 C ATOM 1290 CD2 LEU A 80 6.762 2.770 -9.246 1.00 0.00 C ATOM 0 H LEU A 80 2.638 0.845 -8.902 1.00 0.00 H new ATOM 0 HA LEU A 80 3.957 2.921 -10.138 1.00 0.00 H new ATOM 0 HB2 LEU A 80 4.566 0.122 -9.339 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.629 0.798 -10.558 1.00 0.00 H new ATOM 0 HG LEU A 80 4.995 2.413 -8.097 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.968 1.337 -6.979 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.678 0.152 -7.298 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.112 0.212 -8.351 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.281 3.284 -8.437 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.482 2.201 -9.835 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.270 3.504 -9.884 1.00 0.00 H new ATOM 1302 N SER A 81 3.152 0.527 -12.317 1.00 0.00 N ATOM 1303 CA SER A 81 2.896 0.325 -13.741 1.00 0.00 C ATOM 1304 C SER A 81 1.433 0.615 -14.114 1.00 0.00 C ATOM 1305 O SER A 81 1.180 1.401 -15.024 1.00 0.00 O ATOM 1306 CB SER A 81 3.391 -1.061 -14.163 1.00 0.00 C ATOM 1307 OG SER A 81 3.828 -1.047 -15.511 1.00 0.00 O ATOM 0 H SER A 81 2.914 -0.273 -11.731 1.00 0.00 H new ATOM 0 HA SER A 81 3.467 1.054 -14.316 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.208 -1.374 -13.514 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.591 -1.791 -14.042 1.00 0.00 H new ATOM 0 HG SER A 81 4.142 -1.941 -15.762 1.00 0.00 H new ATOM 1313 N ASP A 82 0.483 -0.017 -13.416 1.00 0.00 N ATOM 1314 CA ASP A 82 -0.972 -0.073 -13.651 1.00 0.00 C ATOM 1315 C ASP A 82 -1.660 1.291 -13.650 1.00 0.00 C ATOM 1316 O ASP A 82 -2.767 1.437 -14.160 1.00 0.00 O ATOM 1317 CB ASP A 82 -1.587 -0.907 -12.515 1.00 0.00 C ATOM 1318 CG ASP A 82 -3.112 -1.004 -12.533 1.00 0.00 C ATOM 1319 OD1 ASP A 82 -3.669 -1.763 -13.354 1.00 0.00 O ATOM 1320 OD2 ASP A 82 -3.739 -0.407 -11.628 1.00 0.00 O ATOM 0 H ASP A 82 0.735 -0.558 -12.589 1.00 0.00 H new ATOM 0 HA ASP A 82 -1.122 -0.501 -14.642 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.174 -1.915 -12.561 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -1.277 -0.478 -11.562 1.00 0.00 H new ATOM 1325 N GLN A 83 -1.018 2.287 -13.040 1.00 0.00 N ATOM 1326 CA GLN A 83 -1.528 3.611 -12.747 1.00 0.00 C ATOM 1327 C GLN A 83 -2.790 3.680 -11.883 1.00 0.00 C ATOM 1328 O GLN A 83 -3.066 4.788 -11.407 1.00 0.00 O ATOM 1329 CB GLN A 83 -1.733 4.429 -14.035 1.00 0.00 C ATOM 1330 CG GLN A 83 -0.430 4.908 -14.681 1.00 0.00 C ATOM 1331 CD GLN A 83 -0.640 6.271 -15.334 1.00 0.00 C ATOM 1332 OE1 GLN A 83 -0.885 6.389 -16.535 1.00 0.00 O ATOM 1333 NE2 GLN A 83 -0.656 7.331 -14.540 1.00 0.00 N ATOM 0 H GLN A 83 -0.057 2.173 -12.717 1.00 0.00 H new ATOM 0 HA GLN A 83 -0.742 4.049 -12.131 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -2.282 3.823 -14.755 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.354 5.295 -13.808 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.356 4.974 -13.928 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -0.098 4.186 -15.427 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -0.452 7.227 -13.546 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -0.872 8.252 -14.923 1.00 0.00 H new ATOM 1342 N LEU A 84 -3.517 2.587 -11.628 1.00 0.00 N ATOM 1343 CA LEU A 84 -4.954 2.572 -11.435 1.00 0.00 C ATOM 1344 C LEU A 84 -5.646 3.291 -12.590 1.00 0.00 C ATOM 1345 O LEU A 84 -5.671 4.524 -12.676 1.00 0.00 O ATOM 1346 CB LEU A 84 -5.341 3.029 -10.033 1.00 0.00 C ATOM 1347 CG LEU A 84 -4.966 1.935 -9.010 1.00 0.00 C ATOM 1348 CD1 LEU A 84 -3.586 2.118 -8.401 1.00 0.00 C ATOM 1349 CD2 LEU A 84 -6.007 1.890 -7.913 1.00 0.00 C ATOM 0 H LEU A 84 -3.097 1.661 -11.549 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.326 1.548 -11.474 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.830 3.960 -9.789 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.411 3.232 -9.988 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.939 0.992 -9.556 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.391 1.313 -7.692 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.834 2.096 -9.190 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.541 3.076 -7.883 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.742 1.118 -7.191 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.049 2.857 -7.411 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -6.982 1.663 -8.345 1.00 0.00 H new ATOM 1361 N GLY A 85 -6.178 2.505 -13.525 1.00 0.00 N ATOM 1362 CA GLY A 85 -7.217 2.917 -14.442 1.00 0.00 C ATOM 1363 C GLY A 85 -8.547 2.852 -13.704 1.00 0.00 C ATOM 1364 O GLY A 85 -8.606 3.060 -12.488 1.00 0.00 O ATOM 0 H GLY A 85 -5.883 1.538 -13.662 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -7.029 3.929 -14.801 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -7.234 2.266 -15.316 1.00 0.00 H new ATOM 1368 N GLN A 86 -9.599 2.570 -14.461 1.00 0.00 N ATOM 1369 CA GLN A 86 -11.000 2.592 -14.063 1.00 0.00 C ATOM 1370 C GLN A 86 -11.214 1.926 -12.700 1.00 0.00 C ATOM 1371 O GLN A 86 -11.515 2.595 -11.706 1.00 0.00 O ATOM 1372 CB GLN A 86 -11.820 1.904 -15.172 1.00 0.00 C ATOM 1373 CG GLN A 86 -13.343 1.921 -14.949 1.00 0.00 C ATOM 1374 CD GLN A 86 -14.040 0.651 -15.445 1.00 0.00 C ATOM 1375 OE1 GLN A 86 -13.543 -0.087 -16.300 1.00 0.00 O ATOM 1376 NE2 GLN A 86 -15.195 0.344 -14.884 1.00 0.00 N ATOM 0 H GLN A 86 -9.488 2.301 -15.439 1.00 0.00 H new ATOM 0 HA GLN A 86 -11.334 3.623 -13.944 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -11.600 2.390 -16.123 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -11.491 0.869 -15.260 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -13.547 2.048 -13.886 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -13.769 2.784 -15.460 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -15.599 0.960 -14.178 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -15.684 -0.509 -15.157 1.00 0.00 H new ATOM 1385 N ALA A 87 -11.117 0.598 -12.677 1.00 0.00 N ATOM 1386 CA ALA A 87 -11.539 -0.246 -11.580 1.00 0.00 C ATOM 1387 C ALA A 87 -10.845 -1.593 -11.765 1.00 0.00 C ATOM 1388 O ALA A 87 -11.452 -2.540 -12.267 1.00 0.00 O ATOM 1389 CB ALA A 87 -13.070 -0.365 -11.614 1.00 0.00 C ATOM 0 H ALA A 87 -10.726 0.068 -13.456 1.00 0.00 H new ATOM 0 HA ALA A 87 -11.268 0.161 -10.606 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -13.404 -0.999 -10.792 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -13.514 0.625 -11.512 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -13.380 -0.806 -12.561 1.00 0.00 H new ATOM 1395 N VAL A 88 -9.564 -1.654 -11.400 1.00 0.00 N ATOM 1396 CA VAL A 88 -8.673 -2.793 -11.597 1.00 0.00 C ATOM 1397 C VAL A 88 -8.697 -3.249 -13.060 1.00 0.00 C ATOM 1398 O VAL A 88 -9.177 -4.332 -13.414 1.00 0.00 O ATOM 1399 CB VAL A 88 -8.943 -3.910 -10.572 1.00 0.00 C ATOM 1400 CG1 VAL A 88 -7.712 -4.821 -10.496 1.00 0.00 C ATOM 1401 CG2 VAL A 88 -9.216 -3.391 -9.149 1.00 0.00 C ATOM 0 H VAL A 88 -9.100 -0.873 -10.937 1.00 0.00 H new ATOM 0 HA VAL A 88 -7.647 -2.483 -11.400 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.836 -4.432 -10.916 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.892 -5.616 -9.773 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.522 -5.258 -11.476 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.846 -4.237 -10.185 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.397 -4.234 -8.483 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -8.352 -2.828 -8.795 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -10.092 -2.742 -9.160 1.00 0.00 H new ATOM 1411 N GLY A 89 -8.164 -2.387 -13.919 1.00 0.00 N ATOM 1412 CA GLY A 89 -7.886 -2.693 -15.306 1.00 0.00 C ATOM 1413 C GLY A 89 -6.577 -3.468 -15.402 1.00 0.00 C ATOM 1414 O GLY A 89 -6.242 -4.274 -14.525 1.00 0.00 O ATOM 0 H GLY A 89 -7.909 -1.435 -13.658 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -8.701 -3.280 -15.731 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -7.820 -1.773 -15.886 1.00 0.00 H new ATOM 1418 N GLN A 90 -5.847 -3.266 -16.490 1.00 0.00 N ATOM 1419 CA GLN A 90 -4.451 -3.648 -16.617 1.00 0.00 C ATOM 1420 C GLN A 90 -3.700 -2.542 -17.351 1.00 0.00 C ATOM 1421 O GLN A 90 -4.335 -1.750 -18.054 1.00 0.00 O ATOM 1422 CB GLN A 90 -4.318 -5.007 -17.331 1.00 0.00 C ATOM 1423 CG GLN A 90 -4.967 -5.091 -18.729 1.00 0.00 C ATOM 1424 CD GLN A 90 -6.223 -5.962 -18.758 1.00 0.00 C ATOM 1425 OE1 GLN A 90 -6.227 -7.095 -18.285 1.00 0.00 O ATOM 1426 NE2 GLN A 90 -7.302 -5.497 -19.350 1.00 0.00 N ATOM 0 H GLN A 90 -6.220 -2.821 -17.328 1.00 0.00 H new ATOM 0 HA GLN A 90 -4.010 -3.771 -15.628 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.259 -5.245 -17.427 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -4.761 -5.775 -16.697 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -5.222 -4.086 -19.065 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -4.240 -5.489 -19.437 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -7.302 -4.556 -19.744 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -8.138 -6.077 -19.415 1.00 0.00 H new ATOM 1435 N GLN A 91 -2.367 -2.547 -17.229 1.00 0.00 N ATOM 1436 CA GLN A 91 -1.411 -1.650 -17.884 1.00 0.00 C ATOM 1437 C GLN A 91 -1.628 -0.156 -17.571 1.00 0.00 C ATOM 1438 O GLN A 91 -2.671 0.244 -17.056 1.00 0.00 O ATOM 1439 CB GLN A 91 -1.437 -1.897 -19.406 1.00 0.00 C ATOM 1440 CG GLN A 91 -0.953 -3.297 -19.811 1.00 0.00 C ATOM 1441 CD GLN A 91 -0.979 -3.480 -21.327 1.00 0.00 C ATOM 1442 OE1 GLN A 91 -1.114 -2.527 -22.090 1.00 0.00 O ATOM 1443 NE2 GLN A 91 -0.843 -4.703 -21.809 1.00 0.00 N ATOM 0 H GLN A 91 -1.897 -3.225 -16.629 1.00 0.00 H new ATOM 0 HA GLN A 91 -0.429 -1.889 -17.475 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -2.454 -1.754 -19.771 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -0.813 -1.150 -19.897 1.00 0.00 H new ATOM 0 HG2 GLN A 91 0.060 -3.454 -19.442 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -1.584 -4.052 -19.341 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -0.731 -5.492 -21.173 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -0.850 -4.858 -22.817 1.00 0.00 H new ATOM 1452 N PRO A 92 -0.658 0.714 -17.894 1.00 0.00 N ATOM 1453 CA PRO A 92 -0.947 2.126 -18.098 1.00 0.00 C ATOM 1454 C PRO A 92 -1.684 2.314 -19.429 1.00 0.00 C ATOM 1455 O PRO A 92 -1.499 1.522 -20.357 1.00 0.00 O ATOM 1456 CB PRO A 92 0.422 2.797 -18.138 1.00 0.00 C ATOM 1457 CG PRO A 92 1.347 1.713 -18.693 1.00 0.00 C ATOM 1458 CD PRO A 92 0.746 0.420 -18.152 1.00 0.00 C ATOM 0 HA PRO A 92 -1.583 2.547 -17.319 1.00 0.00 H new ATOM 0 HB2 PRO A 92 0.415 3.681 -18.776 1.00 0.00 H new ATOM 0 HB3 PRO A 92 0.737 3.122 -17.146 1.00 0.00 H new ATOM 0 HG2 PRO A 92 1.366 1.721 -19.783 1.00 0.00 H new ATOM 0 HG3 PRO A 92 2.374 1.850 -18.355 1.00 0.00 H new ATOM 0 HD2 PRO A 92 0.850 -0.391 -18.873 1.00 0.00 H new ATOM 0 HD3 PRO A 92 1.254 0.104 -17.241 1.00 0.00 H new ATOM 1466 N GLY A 93 -2.435 3.413 -19.555 1.00 0.00 N ATOM 1467 CA GLY A 93 -3.045 3.843 -20.814 1.00 0.00 C ATOM 1468 C GLY A 93 -2.630 5.253 -21.238 1.00 0.00 C ATOM 1469 O GLY A 93 -2.764 5.591 -22.413 1.00 0.00 O ATOM 0 H GLY A 93 -2.638 4.036 -18.774 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.772 3.140 -21.601 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -4.130 3.805 -20.715 1.00 0.00 H new ATOM 1473 N ALA A 94 -2.083 6.074 -20.330 1.00 0.00 N ATOM 1474 CA ALA A 94 -1.172 7.138 -20.745 1.00 0.00 C ATOM 1475 C ALA A 94 0.179 6.482 -20.994 1.00 0.00 C ATOM 1476 O ALA A 94 0.557 6.277 -22.145 1.00 0.00 O ATOM 1477 CB ALA A 94 -1.070 8.263 -19.711 1.00 0.00 C ATOM 0 H ALA A 94 -2.253 6.021 -19.326 1.00 0.00 H new ATOM 0 HA ALA A 94 -1.547 7.620 -21.648 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.380 9.026 -20.071 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -2.054 8.706 -19.557 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.703 7.858 -18.768 1.00 0.00 H new ATOM 1483 N SER A 95 0.860 6.103 -19.908 1.00 0.00 N ATOM 1484 CA SER A 95 2.266 5.726 -19.879 1.00 0.00 C ATOM 1485 C SER A 95 3.131 6.953 -20.195 1.00 0.00 C ATOM 1486 O SER A 95 2.766 7.804 -21.013 1.00 0.00 O ATOM 1487 CB SER A 95 2.532 4.540 -20.826 1.00 0.00 C ATOM 1488 OG SER A 95 3.408 3.597 -20.239 1.00 0.00 O ATOM 0 H SER A 95 0.422 6.050 -18.988 1.00 0.00 H new ATOM 0 HA SER A 95 2.538 5.383 -18.881 1.00 0.00 H new ATOM 0 HB2 SER A 95 1.589 4.055 -21.078 1.00 0.00 H new ATOM 0 HB3 SER A 95 2.961 4.906 -21.759 1.00 0.00 H new ATOM 0 HG SER A 95 3.556 2.856 -20.863 1.00 0.00 H new ATOM 1494 N SER A 96 4.265 7.090 -19.512 1.00 0.00 N ATOM 1495 CA SER A 96 5.171 8.202 -19.725 1.00 0.00 C ATOM 1496 C SER A 96 6.505 7.836 -19.091 1.00 0.00 C ATOM 1497 O SER A 96 6.588 7.683 -17.867 1.00 0.00 O ATOM 1498 CB SER A 96 4.588 9.477 -19.091 1.00 0.00 C ATOM 1499 OG SER A 96 4.886 10.618 -19.869 1.00 0.00 O ATOM 0 H SER A 96 4.576 6.431 -18.798 1.00 0.00 H new ATOM 0 HA SER A 96 5.309 8.397 -20.788 1.00 0.00 H new ATOM 0 HB2 SER A 96 3.508 9.375 -18.990 1.00 0.00 H new ATOM 0 HB3 SER A 96 4.991 9.604 -18.086 1.00 0.00 H new ATOM 0 HG SER A 96 4.502 11.413 -19.444 1.00 0.00 H new ATOM 1505 N GLY A 97 7.554 7.710 -19.897 1.00 0.00 N ATOM 1506 CA GLY A 97 8.886 7.474 -19.381 1.00 0.00 C ATOM 1507 C GLY A 97 9.925 7.800 -20.442 1.00 0.00 C ATOM 1508 O GLY A 97 9.834 7.235 -21.541 1.00 0.00 O ATOM 0 H GLY A 97 7.501 7.769 -20.914 1.00 0.00 H new ATOM 0 HA2 GLY A 97 9.055 8.087 -18.496 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.985 6.433 -19.072 1.00 0.00 H new ATOM 1512 N PRO A 98 10.909 8.670 -20.154 1.00 0.00 N ATOM 1513 CA PRO A 98 12.029 8.890 -21.042 1.00 0.00 C ATOM 1514 C PRO A 98 12.962 7.678 -20.946 1.00 0.00 C ATOM 1515 O PRO A 98 12.724 6.746 -20.170 1.00 0.00 O ATOM 1516 CB PRO A 98 12.667 10.187 -20.545 1.00 0.00 C ATOM 1517 CG PRO A 98 12.480 10.105 -19.034 1.00 0.00 C ATOM 1518 CD PRO A 98 11.188 9.310 -18.872 1.00 0.00 C ATOM 0 HA PRO A 98 11.764 8.989 -22.095 1.00 0.00 H new ATOM 0 HB2 PRO A 98 13.720 10.249 -20.818 1.00 0.00 H new ATOM 0 HB3 PRO A 98 12.176 11.065 -20.965 1.00 0.00 H new ATOM 0 HG2 PRO A 98 13.321 9.605 -18.553 1.00 0.00 H new ATOM 0 HG3 PRO A 98 12.400 11.095 -18.586 1.00 0.00 H new ATOM 0 HD2 PRO A 98 11.292 8.564 -18.084 1.00 0.00 H new ATOM 0 HD3 PRO A 98 10.367 9.966 -18.583 1.00 0.00 H new ATOM 1526 N SER A 99 14.033 7.709 -21.729 1.00 0.00 N ATOM 1527 CA SER A 99 15.037 6.657 -21.803 1.00 0.00 C ATOM 1528 C SER A 99 16.438 7.272 -21.633 1.00 0.00 C ATOM 1529 O SER A 99 17.448 6.613 -21.880 1.00 0.00 O ATOM 1530 CB SER A 99 14.775 5.924 -23.126 1.00 0.00 C ATOM 1531 OG SER A 99 15.666 4.870 -23.430 1.00 0.00 O ATOM 0 H SER A 99 14.232 8.493 -22.350 1.00 0.00 H new ATOM 0 HA SER A 99 14.980 5.920 -21.002 1.00 0.00 H new ATOM 0 HB2 SER A 99 13.762 5.523 -23.103 1.00 0.00 H new ATOM 0 HB3 SER A 99 14.812 6.652 -23.937 1.00 0.00 H new ATOM 0 HG SER A 99 16.549 5.070 -23.055 1.00 0.00 H new ATOM 1537 N SER A 100 16.520 8.535 -21.216 1.00 0.00 N ATOM 1538 CA SER A 100 17.700 9.207 -20.703 1.00 0.00 C ATOM 1539 C SER A 100 17.190 10.250 -19.686 1.00 0.00 C ATOM 1540 O SER A 100 15.976 10.341 -19.454 1.00 0.00 O ATOM 1541 CB SER A 100 18.499 9.744 -21.903 1.00 0.00 C ATOM 1542 OG SER A 100 19.584 10.588 -21.556 1.00 0.00 O ATOM 0 H SER A 100 15.707 9.151 -21.231 1.00 0.00 H new ATOM 0 HA SER A 100 18.405 8.572 -20.167 1.00 0.00 H new ATOM 0 HB2 SER A 100 18.881 8.899 -22.476 1.00 0.00 H new ATOM 0 HB3 SER A 100 17.822 10.294 -22.557 1.00 0.00 H new ATOM 0 HG SER A 100 20.041 10.885 -22.371 1.00 0.00 H new ATOM 1548 N GLY A 101 18.080 11.008 -19.048 1.00 0.00 N ATOM 1549 CA GLY A 101 17.770 11.810 -17.875 1.00 0.00 C ATOM 1550 C GLY A 101 17.564 10.906 -16.681 1.00 0.00 C ATOM 1551 O GLY A 101 18.308 9.915 -16.527 1.00 0.00 O ATOM 0 H GLY A 101 19.054 11.080 -19.341 1.00 0.00 H new ATOM 0 HA2 GLY A 101 18.581 12.511 -17.677 1.00 0.00 H new ATOM 0 HA3 GLY A 101 16.873 12.402 -18.054 1.00 0.00 H new TER 1555 GLY A 101