USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 791 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 71 SER OG : rot 48:sc= 0.245 USER MOD Set 1.2: A 74 SER OG : rot -40:sc= 1.51 USER MOD Set 2.1: A 43 THR OG1 : rot -52:sc= 1.12 USER MOD Set 2.2: A 47 THR OG1 : rot 41:sc= 1.21 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc=-0.00784 K(o=-0.0078,f=-1.6) USER MOD Single : A 6 THR OG1 : rot 62:sc= 0.335 USER MOD Single : A 9 SER OG : rot 180:sc= -0.0625 USER MOD Single : A 12 TYR OH : rot 70:sc= -0.114 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -1.53 K(o=-1.5,f=-0.76) USER MOD Single : A 25 LYS NZ :NH3+ 154:sc= -0.113 (180deg=-0.641) USER MOD Single : A 26 HIS : no HD1:sc= -0.0516 X(o=-0.052,f=-0.0012) USER MOD Single : A 27 THR OG1 : rot -93:sc= 0.519 USER MOD Single : A 28 GLN : amide:sc= -0.968 X(o=-0.97,f=-1.3) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 42 ASN : amide:sc= 0.505 K(o=0.5,f=-3.4!) USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 51 GLN : amide:sc= -1.64 K(o=-1.6,f=-5.1!) USER MOD Single : A 53 GLN : amide:sc= -0.942 K(o=-0.94,f=-11!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.164 X(o=-0.16,f=-0.36) USER MOD Single : A 62 MET CE :methyl 159:sc= -3.19 (180deg=-4.12!) USER MOD Single : A 63 GLN : amide:sc= -1.07 X(o=-1.1,f=-1.2) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.101) USER MOD Single : A 75 HIS : no HD1:sc= -0.125 X(o=-0.12,f=-0.21) USER MOD Single : A 78 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0329) USER MOD Single : A 80 ASN : amide:sc= -0.344 X(o=-0.34,f=-0.23) USER MOD Single : A 82 ASN : amide:sc= -0.604 X(o=-0.6,f=-0.25) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.3 K(o=-0.3,f=-0.87) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.376 8.077 0.535 1.00 45.54 N ATOM 2 CA GLY A 1 17.558 8.751 -0.457 1.00 33.34 C ATOM 3 C GLY A 1 17.565 8.039 -1.795 1.00 31.11 C ATOM 4 O GLY A 1 18.250 8.461 -2.726 1.00 73.21 O ATOM 0 H1 GLY A 1 18.338 8.603 1.432 1.00 45.54 H new ATOM 0 H2 GLY A 1 18.017 7.112 0.684 1.00 45.54 H new ATOM 0 H3 GLY A 1 19.360 8.032 0.201 1.00 45.54 H new ATOM 0 HA2 GLY A 1 16.533 8.821 -0.092 1.00 33.34 H new ATOM 0 HA3 GLY A 1 17.920 9.771 -0.590 1.00 33.34 H new ATOM 8 N ALA A 2 16.802 6.955 -1.891 1.00 31.11 N ATOM 9 CA ALA A 2 16.723 6.183 -3.125 1.00 11.31 C ATOM 10 C ALA A 2 15.341 5.562 -3.296 1.00 60.41 C ATOM 11 O ALA A 2 14.809 4.947 -2.372 1.00 54.53 O ATOM 12 CB ALA A 2 17.795 5.104 -3.142 1.00 62.11 C ATOM 0 H ALA A 2 16.230 6.592 -1.129 1.00 31.11 H new ATOM 0 HA ALA A 2 16.893 6.862 -3.961 1.00 11.31 H new ATOM 0 HB1 ALA A 2 17.724 4.535 -4.069 1.00 62.11 H new ATOM 0 HB2 ALA A 2 18.779 5.568 -3.075 1.00 62.11 H new ATOM 0 HB3 ALA A 2 17.651 4.435 -2.294 1.00 62.11 H new ATOM 18 N GLU A 3 14.766 5.726 -4.483 1.00 50.13 N ATOM 19 CA GLU A 3 13.445 5.182 -4.773 1.00 72.55 C ATOM 20 C GLU A 3 13.554 3.888 -5.576 1.00 14.11 C ATOM 21 O GLU A 3 14.026 3.887 -6.712 1.00 12.41 O ATOM 22 CB GLU A 3 12.605 6.203 -5.544 1.00 5.25 C ATOM 23 CG GLU A 3 11.108 6.013 -5.373 1.00 13.01 C ATOM 24 CD GLU A 3 10.300 7.089 -6.072 1.00 14.13 C ATOM 25 OE1 GLU A 3 10.732 8.261 -6.054 1.00 22.41 O ATOM 26 OE2 GLU A 3 9.235 6.760 -6.636 1.00 3.42 O ATOM 0 H GLU A 3 15.194 6.231 -5.259 1.00 50.13 H new ATOM 0 HA GLU A 3 12.955 4.962 -3.824 1.00 72.55 H new ATOM 0 HB2 GLU A 3 12.875 7.206 -5.214 1.00 5.25 H new ATOM 0 HB3 GLU A 3 12.852 6.138 -6.604 1.00 5.25 H new ATOM 0 HG2 GLU A 3 10.822 5.037 -5.765 1.00 13.01 H new ATOM 0 HG3 GLU A 3 10.864 6.013 -4.311 1.00 13.01 H new ATOM 33 N GLY A 4 13.113 2.787 -4.975 1.00 21.21 N ATOM 34 CA GLY A 4 13.170 1.502 -5.647 1.00 20.31 C ATOM 35 C GLY A 4 11.968 1.260 -6.538 1.00 60.31 C ATOM 36 O GLY A 4 11.639 2.088 -7.386 1.00 14.45 O ATOM 0 H GLY A 4 12.717 2.762 -4.035 1.00 21.21 H new ATOM 0 HA2 GLY A 4 14.079 1.449 -6.246 1.00 20.31 H new ATOM 0 HA3 GLY A 4 13.232 0.708 -4.902 1.00 20.31 H new ATOM 40 N ASN A 5 11.312 0.120 -6.348 1.00 21.44 N ATOM 41 CA ASN A 5 10.141 -0.230 -7.143 1.00 32.40 C ATOM 42 C ASN A 5 10.441 -0.113 -8.634 1.00 52.52 C ATOM 43 O ASN A 5 9.657 0.457 -9.394 1.00 53.11 O ATOM 44 CB ASN A 5 8.961 0.672 -6.776 1.00 0.02 C ATOM 45 CG ASN A 5 7.625 0.052 -7.136 1.00 72.10 C ATOM 46 OD1 ASN A 5 7.558 -0.892 -7.924 1.00 0.05 O ATOM 47 ND2 ASN A 5 6.552 0.582 -6.559 1.00 63.34 N ATOM 0 H ASN A 5 11.572 -0.577 -5.650 1.00 21.44 H new ATOM 0 HA ASN A 5 9.880 -1.265 -6.923 1.00 32.40 H new ATOM 0 HB2 ASN A 5 8.985 0.880 -5.706 1.00 0.02 H new ATOM 0 HB3 ASN A 5 9.065 1.628 -7.289 1.00 0.02 H new ATOM 0 HD21 ASN A 5 5.626 0.207 -6.763 1.00 63.34 H new ATOM 0 HD22 ASN A 5 6.655 1.364 -5.912 1.00 63.34 H new ATOM 54 N THR A 6 11.582 -0.656 -9.048 1.00 13.24 N ATOM 55 CA THR A 6 11.986 -0.612 -10.447 1.00 3.40 C ATOM 56 C THR A 6 12.494 -1.970 -10.916 1.00 32.42 C ATOM 57 O THR A 6 13.594 -2.392 -10.556 1.00 13.15 O ATOM 58 CB THR A 6 13.085 0.443 -10.681 1.00 73.42 C ATOM 59 OG1 THR A 6 12.660 1.713 -10.175 1.00 41.24 O ATOM 60 CG2 THR A 6 13.411 0.564 -12.162 1.00 4.01 C ATOM 0 H THR A 6 12.243 -1.132 -8.433 1.00 13.24 H new ATOM 0 HA THR A 6 11.102 -0.340 -11.023 1.00 3.40 H new ATOM 0 HB THR A 6 13.983 0.124 -10.152 1.00 73.42 H new ATOM 0 HG1 THR A 6 12.516 1.648 -9.208 1.00 41.24 H new ATOM 0 HG21 THR A 6 14.189 1.314 -12.303 1.00 4.01 H new ATOM 0 HG22 THR A 6 13.762 -0.397 -12.537 1.00 4.01 H new ATOM 0 HG23 THR A 6 12.516 0.862 -12.708 1.00 4.01 H new ATOM 68 N LEU A 7 11.687 -2.652 -11.721 1.00 71.13 N ATOM 69 CA LEU A 7 12.055 -3.965 -12.241 1.00 0.31 C ATOM 70 C LEU A 7 13.384 -3.902 -12.987 1.00 21.04 C ATOM 71 O LEU A 7 13.717 -2.886 -13.597 1.00 4.55 O ATOM 72 CB LEU A 7 10.960 -4.493 -13.170 1.00 4.41 C ATOM 73 CG LEU A 7 9.751 -5.132 -12.487 1.00 10.02 C ATOM 74 CD1 LEU A 7 10.184 -6.310 -11.629 1.00 31.54 C ATOM 75 CD2 LEU A 7 9.007 -4.103 -11.647 1.00 60.54 C ATOM 0 H LEU A 7 10.773 -2.318 -12.028 1.00 71.13 H new ATOM 0 HA LEU A 7 12.165 -4.645 -11.396 1.00 0.31 H new ATOM 0 HB2 LEU A 7 10.608 -3.668 -13.790 1.00 4.41 H new ATOM 0 HB3 LEU A 7 11.404 -5.229 -13.841 1.00 4.41 H new ATOM 0 HG LEU A 7 9.074 -5.500 -13.258 1.00 10.02 H new ATOM 0 HD11 LEU A 7 9.310 -6.752 -11.151 1.00 31.54 H new ATOM 0 HD12 LEU A 7 10.672 -7.057 -12.256 1.00 31.54 H new ATOM 0 HD13 LEU A 7 10.881 -5.967 -10.865 1.00 31.54 H new ATOM 0 HD21 LEU A 7 8.149 -4.576 -11.168 1.00 60.54 H new ATOM 0 HD22 LEU A 7 9.675 -3.705 -10.883 1.00 60.54 H new ATOM 0 HD23 LEU A 7 8.663 -3.291 -12.287 1.00 60.54 H new ATOM 87 N ILE A 8 14.138 -4.995 -12.935 1.00 33.11 N ATOM 88 CA ILE A 8 15.429 -5.065 -13.608 1.00 75.13 C ATOM 89 C ILE A 8 15.739 -6.489 -14.056 1.00 32.54 C ATOM 90 O ILE A 8 15.220 -7.454 -13.494 1.00 71.32 O ATOM 91 CB ILE A 8 16.566 -4.566 -12.698 1.00 41.41 C ATOM 92 CG1 ILE A 8 16.468 -5.218 -11.318 1.00 21.33 C ATOM 93 CG2 ILE A 8 16.521 -3.050 -12.578 1.00 1.35 C ATOM 94 CD1 ILE A 8 17.764 -5.182 -10.539 1.00 2.23 C ATOM 0 H ILE A 8 13.877 -5.844 -12.434 1.00 33.11 H new ATOM 0 HA ILE A 8 15.364 -4.418 -14.483 1.00 75.13 H new ATOM 0 HB ILE A 8 17.519 -4.848 -13.145 1.00 41.41 H new ATOM 0 HG12 ILE A 8 15.693 -4.714 -10.741 1.00 21.33 H new ATOM 0 HG13 ILE A 8 16.154 -6.255 -11.437 1.00 21.33 H new ATOM 0 HG21 ILE A 8 17.331 -2.712 -11.932 1.00 1.35 H new ATOM 0 HG22 ILE A 8 16.635 -2.603 -13.566 1.00 1.35 H new ATOM 0 HG23 ILE A 8 15.565 -2.747 -12.151 1.00 1.35 H new ATOM 0 HD11 ILE A 8 17.620 -5.662 -9.571 1.00 2.23 H new ATOM 0 HD12 ILE A 8 18.538 -5.712 -11.095 1.00 2.23 H new ATOM 0 HD13 ILE A 8 18.070 -4.147 -10.389 1.00 2.23 H new ATOM 106 N SER A 9 16.590 -6.614 -15.069 1.00 51.50 N ATOM 107 CA SER A 9 16.969 -7.920 -15.594 1.00 35.44 C ATOM 108 C SER A 9 18.443 -8.207 -15.326 1.00 10.21 C ATOM 109 O SER A 9 19.319 -7.437 -15.721 1.00 14.13 O ATOM 110 CB SER A 9 16.688 -7.991 -17.096 1.00 22.00 C ATOM 111 OG SER A 9 17.887 -7.881 -17.844 1.00 73.21 O ATOM 0 H SER A 9 17.031 -5.826 -15.543 1.00 51.50 H new ATOM 0 HA SER A 9 16.372 -8.676 -15.084 1.00 35.44 H new ATOM 0 HB2 SER A 9 16.193 -8.933 -17.333 1.00 22.00 H new ATOM 0 HB3 SER A 9 16.004 -7.191 -17.380 1.00 22.00 H new ATOM 0 HG SER A 9 17.681 -7.930 -18.801 1.00 73.21 H new ATOM 117 N VAL A 10 18.710 -9.321 -14.651 1.00 51.25 N ATOM 118 CA VAL A 10 20.078 -9.711 -14.331 1.00 34.21 C ATOM 119 C VAL A 10 20.255 -11.222 -14.429 1.00 20.24 C ATOM 120 O VAL A 10 19.307 -11.983 -14.231 1.00 43.15 O ATOM 121 CB VAL A 10 20.476 -9.249 -12.917 1.00 4.12 C ATOM 122 CG1 VAL A 10 19.676 -10.000 -11.864 1.00 0.02 C ATOM 123 CG2 VAL A 10 21.970 -9.436 -12.697 1.00 60.10 C ATOM 0 H VAL A 10 17.997 -9.969 -14.315 1.00 51.25 H new ATOM 0 HA VAL A 10 20.726 -9.224 -15.060 1.00 34.21 H new ATOM 0 HB VAL A 10 20.247 -8.187 -12.823 1.00 4.12 H new ATOM 0 HG11 VAL A 10 19.971 -9.660 -10.871 1.00 0.02 H new ATOM 0 HG12 VAL A 10 18.613 -9.810 -12.011 1.00 0.02 H new ATOM 0 HG13 VAL A 10 19.870 -11.069 -11.954 1.00 0.02 H new ATOM 0 HG21 VAL A 10 22.234 -9.105 -11.693 1.00 60.10 H new ATOM 0 HG22 VAL A 10 22.225 -10.490 -12.810 1.00 60.10 H new ATOM 0 HG23 VAL A 10 22.522 -8.848 -13.430 1.00 60.10 H new ATOM 133 N ASP A 11 21.475 -11.650 -14.734 1.00 30.43 N ATOM 134 CA ASP A 11 21.778 -13.072 -14.856 1.00 40.43 C ATOM 135 C ASP A 11 22.645 -13.545 -13.694 1.00 0.44 C ATOM 136 O ASP A 11 22.955 -12.775 -12.784 1.00 42.10 O ATOM 137 CB ASP A 11 22.486 -13.352 -16.183 1.00 54.51 C ATOM 138 CG ASP A 11 21.772 -12.723 -17.364 1.00 0.44 C ATOM 139 OD1 ASP A 11 20.529 -12.614 -17.316 1.00 61.41 O ATOM 140 OD2 ASP A 11 22.457 -12.339 -18.336 1.00 34.25 O ATOM 0 H ASP A 11 22.270 -11.033 -14.901 1.00 30.43 H new ATOM 0 HA ASP A 11 20.837 -13.622 -14.831 1.00 40.43 H new ATOM 0 HB2 ASP A 11 23.506 -12.972 -16.134 1.00 54.51 H new ATOM 0 HB3 ASP A 11 22.554 -14.429 -16.335 1.00 54.51 H new ATOM 145 N TYR A 12 23.032 -14.815 -13.729 1.00 52.24 N ATOM 146 CA TYR A 12 23.860 -15.392 -12.677 1.00 50.50 C ATOM 147 C TYR A 12 24.862 -16.386 -13.256 1.00 2.33 C ATOM 148 O TYR A 12 24.655 -16.932 -14.339 1.00 24.14 O ATOM 149 CB TYR A 12 22.984 -16.084 -11.631 1.00 50.44 C ATOM 150 CG TYR A 12 22.217 -15.122 -10.752 1.00 74.22 C ATOM 151 CD1 TYR A 12 22.866 -14.093 -10.083 1.00 11.44 C ATOM 152 CD2 TYR A 12 20.842 -15.243 -10.592 1.00 34.20 C ATOM 153 CE1 TYR A 12 22.169 -13.213 -9.278 1.00 12.43 C ATOM 154 CE2 TYR A 12 20.136 -14.367 -9.790 1.00 41.23 C ATOM 155 CZ TYR A 12 20.804 -13.354 -9.135 1.00 2.41 C ATOM 156 OH TYR A 12 20.106 -12.478 -8.335 1.00 71.12 O ATOM 0 H TYR A 12 22.785 -15.465 -14.475 1.00 52.24 H new ATOM 0 HA TYR A 12 24.413 -14.583 -12.200 1.00 50.50 H new ATOM 0 HB2 TYR A 12 22.278 -16.742 -12.138 1.00 50.44 H new ATOM 0 HB3 TYR A 12 23.613 -16.715 -11.003 1.00 50.44 H new ATOM 0 HD1 TYR A 12 23.934 -13.979 -10.194 1.00 11.44 H new ATOM 0 HD2 TYR A 12 20.316 -16.036 -11.103 1.00 34.20 H new ATOM 0 HE1 TYR A 12 22.690 -12.419 -8.763 1.00 12.43 H new ATOM 0 HE2 TYR A 12 19.067 -14.475 -9.677 1.00 41.23 H new ATOM 0 HH TYR A 12 20.084 -11.595 -8.759 1.00 71.12 H new ATOM 166 N GLU A 13 25.948 -16.615 -12.524 1.00 44.32 N ATOM 167 CA GLU A 13 26.983 -17.543 -12.964 1.00 43.25 C ATOM 168 C GLU A 13 27.694 -18.171 -11.770 1.00 25.44 C ATOM 169 O GLU A 13 28.235 -17.468 -10.916 1.00 22.24 O ATOM 170 CB GLU A 13 27.998 -16.824 -13.856 1.00 24.12 C ATOM 171 CG GLU A 13 28.844 -17.766 -14.697 1.00 54.43 C ATOM 172 CD GLU A 13 30.036 -17.073 -15.328 1.00 22.03 C ATOM 173 OE1 GLU A 13 31.031 -16.834 -14.612 1.00 13.53 O ATOM 174 OE2 GLU A 13 29.974 -16.771 -16.538 1.00 4.10 O ATOM 0 H GLU A 13 26.134 -16.171 -11.625 1.00 44.32 H new ATOM 0 HA GLU A 13 26.504 -18.336 -13.538 1.00 43.25 H new ATOM 0 HB2 GLU A 13 27.467 -16.138 -14.516 1.00 24.12 H new ATOM 0 HB3 GLU A 13 28.655 -16.220 -13.230 1.00 24.12 H new ATOM 0 HG2 GLU A 13 29.195 -18.588 -14.073 1.00 54.43 H new ATOM 0 HG3 GLU A 13 28.225 -18.202 -15.481 1.00 54.43 H new ATOM 181 N ILE A 14 27.689 -19.499 -11.717 1.00 34.04 N ATOM 182 CA ILE A 14 28.333 -20.222 -10.628 1.00 20.44 C ATOM 183 C ILE A 14 29.331 -21.244 -11.161 1.00 65.02 C ATOM 184 O ILE A 14 29.157 -21.788 -12.252 1.00 12.30 O ATOM 185 CB ILE A 14 27.300 -20.945 -9.743 1.00 0.34 C ATOM 186 CG1 ILE A 14 26.177 -19.985 -9.345 1.00 12.10 C ATOM 187 CG2 ILE A 14 27.973 -21.522 -8.506 1.00 61.25 C ATOM 188 CD1 ILE A 14 26.643 -18.833 -8.482 1.00 63.15 C ATOM 0 H ILE A 14 27.246 -20.096 -12.416 1.00 34.04 H new ATOM 0 HA ILE A 14 28.860 -19.481 -10.027 1.00 20.44 H new ATOM 0 HB ILE A 14 26.866 -21.766 -10.313 1.00 0.34 H new ATOM 0 HG12 ILE A 14 25.713 -19.587 -10.248 1.00 12.10 H new ATOM 0 HG13 ILE A 14 25.407 -20.541 -8.810 1.00 12.10 H new ATOM 0 HG21 ILE A 14 27.230 -22.030 -7.891 1.00 61.25 H new ATOM 0 HG22 ILE A 14 28.741 -22.234 -8.808 1.00 61.25 H new ATOM 0 HG23 ILE A 14 28.430 -20.717 -7.932 1.00 61.25 H new ATOM 0 HD11 ILE A 14 25.794 -18.194 -8.239 1.00 63.15 H new ATOM 0 HD12 ILE A 14 27.080 -19.221 -7.562 1.00 63.15 H new ATOM 0 HD13 ILE A 14 27.391 -18.253 -9.023 1.00 63.15 H new ATOM 200 N PHE A 15 30.378 -21.502 -10.384 1.00 42.01 N ATOM 201 CA PHE A 15 31.405 -22.460 -10.778 1.00 1.42 C ATOM 202 C PHE A 15 31.765 -23.380 -9.615 1.00 3.40 C ATOM 203 O PHE A 15 31.704 -22.982 -8.452 1.00 53.04 O ATOM 204 CB PHE A 15 32.655 -21.726 -11.269 1.00 30.13 C ATOM 205 CG PHE A 15 33.747 -22.647 -11.732 1.00 61.15 C ATOM 206 CD1 PHE A 15 33.521 -23.550 -12.759 1.00 32.02 C ATOM 207 CD2 PHE A 15 35.000 -22.610 -11.142 1.00 31.34 C ATOM 208 CE1 PHE A 15 34.524 -24.399 -13.188 1.00 53.22 C ATOM 209 CE2 PHE A 15 36.007 -23.456 -11.567 1.00 74.21 C ATOM 210 CZ PHE A 15 35.768 -24.352 -12.591 1.00 30.33 C ATOM 0 H PHE A 15 30.538 -21.061 -9.478 1.00 42.01 H new ATOM 0 HA PHE A 15 31.007 -23.069 -11.590 1.00 1.42 H new ATOM 0 HB2 PHE A 15 32.379 -21.062 -12.088 1.00 30.13 H new ATOM 0 HB3 PHE A 15 33.037 -21.098 -10.465 1.00 30.13 H new ATOM 0 HD1 PHE A 15 32.550 -23.591 -13.230 1.00 32.02 H new ATOM 0 HD2 PHE A 15 35.192 -21.912 -10.341 1.00 31.34 H new ATOM 0 HE1 PHE A 15 34.335 -25.098 -13.989 1.00 53.22 H new ATOM 0 HE2 PHE A 15 36.980 -23.417 -11.099 1.00 74.21 H new ATOM 0 HZ PHE A 15 36.553 -25.015 -12.924 1.00 30.33 H new ATOM 220 N GLY A 16 32.141 -24.613 -9.939 1.00 23.35 N ATOM 221 CA GLY A 16 32.505 -25.571 -8.911 1.00 62.31 C ATOM 222 C GLY A 16 31.794 -26.899 -9.079 1.00 22.52 C ATOM 223 O GLY A 16 31.911 -27.548 -10.119 1.00 34.02 O ATOM 0 H GLY A 16 32.200 -24.966 -10.894 1.00 23.35 H new ATOM 0 HA2 GLY A 16 33.583 -25.734 -8.935 1.00 62.31 H new ATOM 0 HA3 GLY A 16 32.267 -25.156 -7.931 1.00 62.31 H new ATOM 227 N LYS A 17 31.056 -27.307 -8.052 1.00 61.40 N ATOM 228 CA LYS A 17 30.323 -28.567 -8.089 1.00 21.33 C ATOM 229 C LYS A 17 28.872 -28.341 -8.500 1.00 52.40 C ATOM 230 O LYS A 17 27.983 -29.103 -8.122 1.00 35.24 O ATOM 231 CB LYS A 17 30.376 -29.252 -6.721 1.00 13.31 C ATOM 232 CG LYS A 17 30.028 -30.730 -6.767 1.00 11.55 C ATOM 233 CD LYS A 17 31.257 -31.584 -7.027 1.00 41.13 C ATOM 234 CE LYS A 17 30.882 -32.936 -7.613 1.00 73.34 C ATOM 235 NZ LYS A 17 30.754 -32.882 -9.096 1.00 65.21 N ATOM 0 H LYS A 17 30.950 -26.783 -7.183 1.00 61.40 H new ATOM 0 HA LYS A 17 30.796 -29.212 -8.830 1.00 21.33 H new ATOM 0 HB2 LYS A 17 31.376 -29.136 -6.304 1.00 13.31 H new ATOM 0 HB3 LYS A 17 29.688 -28.746 -6.044 1.00 13.31 H new ATOM 0 HG2 LYS A 17 29.571 -31.027 -5.823 1.00 11.55 H new ATOM 0 HG3 LYS A 17 29.289 -30.907 -7.549 1.00 11.55 H new ATOM 0 HD2 LYS A 17 31.926 -31.062 -7.712 1.00 41.13 H new ATOM 0 HD3 LYS A 17 31.804 -31.729 -6.096 1.00 41.13 H new ATOM 0 HE2 LYS A 17 31.638 -33.672 -7.340 1.00 73.34 H new ATOM 0 HE3 LYS A 17 29.940 -33.271 -7.179 1.00 73.34 H new ATOM 0 HZ1 LYS A 17 30.497 -33.823 -9.457 1.00 65.21 H new ATOM 0 HZ2 LYS A 17 30.015 -32.198 -9.356 1.00 65.21 H new ATOM 0 HZ3 LYS A 17 31.660 -32.587 -9.512 1.00 65.21 H new ATOM 249 N VAL A 18 28.639 -27.288 -9.278 1.00 64.32 N ATOM 250 CA VAL A 18 27.296 -26.963 -9.743 1.00 63.01 C ATOM 251 C VAL A 18 27.062 -27.487 -11.155 1.00 73.13 C ATOM 252 O VAL A 18 26.266 -26.929 -11.910 1.00 71.01 O ATOM 253 CB VAL A 18 27.048 -25.443 -9.724 1.00 23.04 C ATOM 254 CG1 VAL A 18 27.071 -24.916 -8.297 1.00 24.32 C ATOM 255 CG2 VAL A 18 28.078 -24.725 -10.583 1.00 11.44 C ATOM 0 H VAL A 18 29.363 -26.646 -9.599 1.00 64.32 H new ATOM 0 HA VAL A 18 26.598 -27.446 -9.059 1.00 63.01 H new ATOM 0 HB VAL A 18 26.060 -25.248 -10.142 1.00 23.04 H new ATOM 0 HG11 VAL A 18 26.894 -23.840 -8.303 1.00 24.32 H new ATOM 0 HG12 VAL A 18 26.292 -25.408 -7.715 1.00 24.32 H new ATOM 0 HG13 VAL A 18 28.043 -25.121 -7.849 1.00 24.32 H new ATOM 0 HG21 VAL A 18 27.888 -23.652 -10.558 1.00 11.44 H new ATOM 0 HG22 VAL A 18 29.077 -24.926 -10.197 1.00 11.44 H new ATOM 0 HG23 VAL A 18 28.008 -25.082 -11.610 1.00 11.44 H new ATOM 265 N GLN A 19 27.760 -28.563 -11.505 1.00 15.10 N ATOM 266 CA GLN A 19 27.627 -29.162 -12.828 1.00 31.35 C ATOM 267 C GLN A 19 26.807 -30.447 -12.763 1.00 51.43 C ATOM 268 O GLN A 19 27.348 -31.531 -12.550 1.00 2.51 O ATOM 269 CB GLN A 19 29.007 -29.453 -13.419 1.00 70.45 C ATOM 270 CG GLN A 19 29.642 -28.252 -14.101 1.00 63.21 C ATOM 271 CD GLN A 19 30.476 -27.415 -13.151 1.00 61.50 C ATOM 272 OE1 GLN A 19 31.570 -27.815 -12.750 1.00 51.24 O ATOM 273 NE2 GLN A 19 29.963 -26.247 -12.785 1.00 10.31 N ATOM 0 H GLN A 19 28.423 -29.037 -10.892 1.00 15.10 H new ATOM 0 HA GLN A 19 27.106 -28.452 -13.471 1.00 31.35 H new ATOM 0 HB2 GLN A 19 29.667 -29.800 -12.625 1.00 70.45 H new ATOM 0 HB3 GLN A 19 28.920 -30.266 -14.140 1.00 70.45 H new ATOM 0 HG2 GLN A 19 30.270 -28.596 -14.923 1.00 63.21 H new ATOM 0 HG3 GLN A 19 28.860 -27.630 -14.536 1.00 63.21 H new ATOM 0 HE21 GLN A 19 29.053 -25.955 -13.142 1.00 10.31 H new ATOM 0 HE22 GLN A 19 30.479 -25.641 -12.147 1.00 10.31 H new ATOM 282 N GLY A 20 25.497 -30.317 -12.949 1.00 53.44 N ATOM 283 CA GLY A 20 24.623 -31.475 -12.908 1.00 41.42 C ATOM 284 C GLY A 20 24.199 -31.831 -11.497 1.00 71.03 C ATOM 285 O GLY A 20 24.537 -32.901 -10.991 1.00 41.00 O ATOM 0 H GLY A 20 25.025 -29.430 -13.127 1.00 53.44 H new ATOM 0 HA2 GLY A 20 23.737 -31.279 -13.512 1.00 41.42 H new ATOM 0 HA3 GLY A 20 25.133 -32.327 -13.357 1.00 41.42 H new ATOM 289 N VAL A 21 23.457 -30.932 -10.859 1.00 52.41 N ATOM 290 CA VAL A 21 22.986 -31.156 -9.497 1.00 62.15 C ATOM 291 C VAL A 21 21.474 -30.989 -9.404 1.00 73.12 C ATOM 292 O VAL A 21 20.801 -30.752 -10.408 1.00 24.10 O ATOM 293 CB VAL A 21 23.660 -30.191 -8.504 1.00 65.13 C ATOM 294 CG1 VAL A 21 25.157 -30.456 -8.434 1.00 53.14 C ATOM 295 CG2 VAL A 21 23.384 -28.747 -8.894 1.00 51.12 C ATOM 0 H VAL A 21 23.169 -30.041 -11.263 1.00 52.41 H new ATOM 0 HA VAL A 21 23.252 -32.180 -9.235 1.00 62.15 H new ATOM 0 HB VAL A 21 23.238 -30.363 -7.514 1.00 65.13 H new ATOM 0 HG11 VAL A 21 25.616 -29.765 -7.727 1.00 53.14 H new ATOM 0 HG12 VAL A 21 25.330 -31.480 -8.104 1.00 53.14 H new ATOM 0 HG13 VAL A 21 25.598 -30.313 -9.420 1.00 53.14 H new ATOM 0 HG21 VAL A 21 23.868 -28.079 -8.181 1.00 51.12 H new ATOM 0 HG22 VAL A 21 23.777 -28.558 -9.893 1.00 51.12 H new ATOM 0 HG23 VAL A 21 22.309 -28.567 -8.887 1.00 51.12 H new ATOM 305 N PHE A 22 20.944 -31.114 -8.192 1.00 11.21 N ATOM 306 CA PHE A 22 19.510 -30.977 -7.967 1.00 34.14 C ATOM 307 C PHE A 22 19.175 -29.595 -7.413 1.00 24.12 C ATOM 308 O PHE A 22 18.173 -29.417 -6.720 1.00 25.44 O ATOM 309 CB PHE A 22 19.018 -32.058 -7.002 1.00 21.22 C ATOM 310 CG PHE A 22 19.639 -31.971 -5.637 1.00 10.10 C ATOM 311 CD1 PHE A 22 20.832 -32.620 -5.361 1.00 55.10 C ATOM 312 CD2 PHE A 22 19.030 -31.240 -4.630 1.00 34.13 C ATOM 313 CE1 PHE A 22 21.406 -32.541 -4.106 1.00 72.32 C ATOM 314 CE2 PHE A 22 19.599 -31.158 -3.373 1.00 44.53 C ATOM 315 CZ PHE A 22 20.788 -31.810 -3.111 1.00 2.12 C ATOM 0 H PHE A 22 21.486 -31.310 -7.350 1.00 11.21 H new ATOM 0 HA PHE A 22 19.005 -31.097 -8.925 1.00 34.14 H new ATOM 0 HB2 PHE A 22 17.935 -31.982 -6.905 1.00 21.22 H new ATOM 0 HB3 PHE A 22 19.232 -33.038 -7.428 1.00 21.22 H new ATOM 0 HD1 PHE A 22 21.319 -33.194 -6.135 1.00 55.10 H new ATOM 0 HD2 PHE A 22 18.100 -30.728 -4.829 1.00 34.13 H new ATOM 0 HE1 PHE A 22 22.337 -33.050 -3.904 1.00 72.32 H new ATOM 0 HE2 PHE A 22 19.114 -30.585 -2.597 1.00 44.53 H new ATOM 0 HZ PHE A 22 21.234 -31.748 -2.129 1.00 2.12 H new ATOM 325 N PHE A 23 20.022 -28.619 -7.723 1.00 62.22 N ATOM 326 CA PHE A 23 19.819 -27.253 -7.256 1.00 13.11 C ATOM 327 C PHE A 23 18.684 -26.579 -8.022 1.00 60.33 C ATOM 328 O PHE A 23 18.033 -25.667 -7.513 1.00 42.55 O ATOM 329 CB PHE A 23 21.106 -26.441 -7.411 1.00 63.11 C ATOM 330 CG PHE A 23 21.019 -25.061 -6.824 1.00 65.32 C ATOM 331 CD1 PHE A 23 20.482 -24.863 -5.563 1.00 21.24 C ATOM 332 CD2 PHE A 23 21.475 -23.962 -7.534 1.00 73.15 C ATOM 333 CE1 PHE A 23 20.401 -23.595 -5.019 1.00 50.24 C ATOM 334 CE2 PHE A 23 21.397 -22.692 -6.996 1.00 54.53 C ATOM 335 CZ PHE A 23 20.858 -22.507 -5.738 1.00 30.52 C ATOM 0 H PHE A 23 20.856 -28.749 -8.296 1.00 62.22 H new ATOM 0 HA PHE A 23 19.548 -27.294 -6.201 1.00 13.11 H new ATOM 0 HB2 PHE A 23 21.925 -26.979 -6.934 1.00 63.11 H new ATOM 0 HB3 PHE A 23 21.351 -26.362 -8.470 1.00 63.11 H new ATOM 0 HD1 PHE A 23 20.122 -25.710 -4.998 1.00 21.24 H new ATOM 0 HD2 PHE A 23 21.896 -24.100 -8.519 1.00 73.15 H new ATOM 0 HE1 PHE A 23 19.981 -23.455 -4.034 1.00 50.24 H new ATOM 0 HE2 PHE A 23 21.757 -21.844 -7.559 1.00 54.53 H new ATOM 0 HZ PHE A 23 20.794 -21.514 -5.317 1.00 30.52 H new ATOM 345 N ARG A 24 18.454 -27.036 -9.249 1.00 34.22 N ATOM 346 CA ARG A 24 17.399 -26.477 -10.087 1.00 24.43 C ATOM 347 C ARG A 24 16.057 -26.506 -9.362 1.00 73.15 C ATOM 348 O ARG A 24 15.199 -25.652 -9.588 1.00 74.41 O ATOM 349 CB ARG A 24 17.299 -27.253 -11.401 1.00 75.04 C ATOM 350 CG ARG A 24 18.520 -27.102 -12.293 1.00 25.43 C ATOM 351 CD ARG A 24 18.223 -27.526 -13.723 1.00 14.15 C ATOM 352 NE ARG A 24 19.442 -27.810 -14.475 1.00 10.25 N ATOM 353 CZ ARG A 24 19.462 -28.504 -15.607 1.00 42.31 C ATOM 354 NH1 ARG A 24 18.335 -28.982 -16.116 1.00 11.51 N ATOM 355 NH2 ARG A 24 20.612 -28.720 -16.233 1.00 73.34 N ATOM 0 H ARG A 24 18.983 -27.791 -9.685 1.00 34.22 H new ATOM 0 HA ARG A 24 17.652 -25.439 -10.304 1.00 24.43 H new ATOM 0 HB2 ARG A 24 17.151 -28.310 -11.178 1.00 75.04 H new ATOM 0 HB3 ARG A 24 16.418 -26.915 -11.946 1.00 75.04 H new ATOM 0 HG2 ARG A 24 18.853 -26.064 -12.282 1.00 25.43 H new ATOM 0 HG3 ARG A 24 19.338 -27.704 -11.897 1.00 25.43 H new ATOM 0 HD2 ARG A 24 17.588 -28.412 -13.714 1.00 14.15 H new ATOM 0 HD3 ARG A 24 17.663 -26.738 -14.226 1.00 14.15 H new ATOM 0 HE ARG A 24 20.327 -27.456 -14.111 1.00 10.25 H new ATOM 0 HH11 ARG A 24 17.449 -28.817 -15.638 1.00 11.51 H new ATOM 0 HH12 ARG A 24 18.354 -29.515 -16.986 1.00 11.51 H new ATOM 0 HH21 ARG A 24 21.481 -28.353 -15.845 1.00 73.34 H new ATOM 0 HH22 ARG A 24 20.627 -29.253 -17.102 1.00 73.34 H new ATOM 369 N LYS A 25 15.881 -27.494 -8.492 1.00 21.05 N ATOM 370 CA LYS A 25 14.644 -27.635 -7.733 1.00 30.11 C ATOM 371 C LYS A 25 14.433 -26.439 -6.809 1.00 73.55 C ATOM 372 O LYS A 25 13.347 -25.859 -6.767 1.00 45.15 O ATOM 373 CB LYS A 25 14.668 -28.928 -6.914 1.00 4.52 C ATOM 374 CG LYS A 25 13.298 -29.364 -6.425 1.00 70.15 C ATOM 375 CD LYS A 25 12.948 -28.718 -5.096 1.00 12.33 C ATOM 376 CE LYS A 25 11.968 -29.569 -4.303 1.00 54.11 C ATOM 377 NZ LYS A 25 12.555 -30.884 -3.925 1.00 0.03 N ATOM 0 H LYS A 25 16.580 -28.210 -8.295 1.00 21.05 H new ATOM 0 HA LYS A 25 13.816 -27.676 -8.440 1.00 30.11 H new ATOM 0 HB2 LYS A 25 15.098 -29.725 -7.521 1.00 4.52 H new ATOM 0 HB3 LYS A 25 15.325 -28.792 -6.055 1.00 4.52 H new ATOM 0 HG2 LYS A 25 12.545 -29.101 -7.168 1.00 70.15 H new ATOM 0 HG3 LYS A 25 13.277 -30.449 -6.320 1.00 70.15 H new ATOM 0 HD2 LYS A 25 13.856 -28.569 -4.513 1.00 12.33 H new ATOM 0 HD3 LYS A 25 12.516 -27.733 -5.272 1.00 12.33 H new ATOM 0 HE2 LYS A 25 11.668 -29.033 -3.403 1.00 54.11 H new ATOM 0 HE3 LYS A 25 11.066 -29.730 -4.894 1.00 54.11 H new ATOM 0 HZ1 LYS A 25 12.088 -31.239 -3.066 1.00 0.03 H new ATOM 0 HZ2 LYS A 25 12.415 -31.563 -4.700 1.00 0.03 H new ATOM 0 HZ3 LYS A 25 13.573 -30.771 -3.744 1.00 0.03 H new ATOM 391 N HIS A 26 15.477 -26.075 -6.072 1.00 32.42 N ATOM 392 CA HIS A 26 15.406 -24.947 -5.150 1.00 54.14 C ATOM 393 C HIS A 26 15.460 -23.623 -5.907 1.00 60.33 C ATOM 394 O HIS A 26 14.676 -22.711 -5.642 1.00 62.12 O ATOM 395 CB HIS A 26 16.549 -25.016 -4.137 1.00 55.31 C ATOM 396 CG HIS A 26 16.282 -24.246 -2.880 1.00 71.12 C ATOM 397 ND1 HIS A 26 17.193 -23.373 -2.325 1.00 1.13 N ATOM 398 CD2 HIS A 26 15.197 -24.221 -2.071 1.00 3.02 C ATOM 399 CE1 HIS A 26 16.681 -22.845 -1.227 1.00 63.31 C ATOM 400 NE2 HIS A 26 15.471 -23.343 -1.051 1.00 34.11 N ATOM 0 H HIS A 26 16.382 -26.545 -6.095 1.00 32.42 H new ATOM 0 HA HIS A 26 14.456 -25.003 -4.618 1.00 54.14 H new ATOM 0 HB2 HIS A 26 16.735 -26.059 -3.882 1.00 55.31 H new ATOM 0 HB3 HIS A 26 17.458 -24.634 -4.601 1.00 55.31 H new ATOM 0 HD2 HIS A 26 14.286 -24.786 -2.203 1.00 3.02 H new ATOM 0 HE1 HIS A 26 17.169 -22.128 -0.583 1.00 63.31 H new ATOM 0 HE2 HIS A 26 14.842 -23.113 -0.282 1.00 34.11 H new ATOM 408 N THR A 27 16.391 -23.524 -6.851 1.00 24.31 N ATOM 409 CA THR A 27 16.550 -22.312 -7.645 1.00 35.34 C ATOM 410 C THR A 27 15.231 -21.903 -8.291 1.00 43.33 C ATOM 411 O THR A 27 14.944 -20.715 -8.436 1.00 41.14 O ATOM 412 CB THR A 27 17.613 -22.496 -8.744 1.00 54.51 C ATOM 413 OG1 THR A 27 18.756 -23.174 -8.212 1.00 73.41 O ATOM 414 CG2 THR A 27 18.036 -21.151 -9.317 1.00 31.31 C ATOM 0 H THR A 27 17.047 -24.270 -7.084 1.00 24.31 H new ATOM 0 HA THR A 27 16.877 -21.527 -6.963 1.00 35.34 H new ATOM 0 HB THR A 27 17.177 -23.094 -9.544 1.00 54.51 H new ATOM 0 HG1 THR A 27 19.417 -22.515 -7.912 1.00 73.41 H new ATOM 0 HG21 THR A 27 18.787 -21.306 -10.091 1.00 31.31 H new ATOM 0 HG22 THR A 27 17.169 -20.650 -9.747 1.00 31.31 H new ATOM 0 HG23 THR A 27 18.455 -20.533 -8.523 1.00 31.31 H new ATOM 422 N GLN A 28 14.434 -22.893 -8.677 1.00 72.52 N ATOM 423 CA GLN A 28 13.145 -22.634 -9.309 1.00 23.53 C ATOM 424 C GLN A 28 12.243 -21.818 -8.390 1.00 31.05 C ATOM 425 O GLN A 28 11.918 -20.668 -8.684 1.00 73.31 O ATOM 426 CB GLN A 28 12.460 -23.952 -9.677 1.00 42.42 C ATOM 427 CG GLN A 28 11.069 -23.771 -10.264 1.00 5.33 C ATOM 428 CD GLN A 28 10.387 -25.090 -10.564 1.00 73.42 C ATOM 429 OE1 GLN A 28 10.549 -26.067 -9.832 1.00 70.45 O ATOM 430 NE2 GLN A 28 9.617 -25.126 -11.646 1.00 32.24 N ATOM 0 H GLN A 28 14.657 -23.882 -8.564 1.00 72.52 H new ATOM 0 HA GLN A 28 13.323 -22.059 -10.218 1.00 23.53 H new ATOM 0 HB2 GLN A 28 13.082 -24.487 -10.395 1.00 42.42 H new ATOM 0 HB3 GLN A 28 12.391 -24.577 -8.787 1.00 42.42 H new ATOM 0 HG2 GLN A 28 10.456 -23.200 -9.567 1.00 5.33 H new ATOM 0 HG3 GLN A 28 11.139 -23.186 -11.181 1.00 5.33 H new ATOM 0 HE21 GLN A 28 9.511 -24.293 -12.224 1.00 32.24 H new ATOM 0 HE22 GLN A 28 9.132 -25.987 -11.898 1.00 32.24 H new ATOM 439 N ALA A 29 11.841 -22.420 -7.275 1.00 64.50 N ATOM 440 CA ALA A 29 10.978 -21.749 -6.312 1.00 12.40 C ATOM 441 C ALA A 29 11.647 -20.497 -5.754 1.00 23.43 C ATOM 442 O ALA A 29 10.974 -19.567 -5.313 1.00 53.42 O ATOM 443 CB ALA A 29 10.606 -22.699 -5.183 1.00 42.14 C ATOM 0 H ALA A 29 12.100 -23.372 -7.017 1.00 64.50 H new ATOM 0 HA ALA A 29 10.068 -21.444 -6.829 1.00 12.40 H new ATOM 0 HB1 ALA A 29 9.961 -22.184 -4.471 1.00 42.14 H new ATOM 0 HB2 ALA A 29 10.079 -23.561 -5.592 1.00 42.14 H new ATOM 0 HB3 ALA A 29 11.511 -23.034 -4.676 1.00 42.14 H new ATOM 449 N GLU A 30 12.976 -20.483 -5.775 1.00 24.30 N ATOM 450 CA GLU A 30 13.736 -19.346 -5.269 1.00 11.01 C ATOM 451 C GLU A 30 13.416 -18.082 -6.062 1.00 10.03 C ATOM 452 O GLU A 30 13.386 -16.982 -5.512 1.00 33.04 O ATOM 453 CB GLU A 30 15.237 -19.636 -5.335 1.00 33.51 C ATOM 454 CG GLU A 30 15.754 -20.438 -4.152 1.00 42.32 C ATOM 455 CD GLU A 30 15.961 -19.585 -2.916 1.00 1.15 C ATOM 456 OE1 GLU A 30 17.071 -19.037 -2.751 1.00 20.12 O ATOM 457 OE2 GLU A 30 15.012 -19.465 -2.113 1.00 20.35 O ATOM 0 H GLU A 30 13.548 -21.246 -6.137 1.00 24.30 H new ATOM 0 HA GLU A 30 13.450 -19.185 -4.230 1.00 11.01 H new ATOM 0 HB2 GLU A 30 15.453 -20.180 -6.254 1.00 33.51 H new ATOM 0 HB3 GLU A 30 15.779 -18.692 -5.388 1.00 33.51 H new ATOM 0 HG2 GLU A 30 15.049 -21.237 -3.924 1.00 42.32 H new ATOM 0 HG3 GLU A 30 16.697 -20.913 -4.424 1.00 42.32 H new ATOM 464 N GLY A 31 13.178 -18.248 -7.359 1.00 62.54 N ATOM 465 CA GLY A 31 12.865 -17.114 -8.208 1.00 15.43 C ATOM 466 C GLY A 31 11.717 -16.284 -7.666 1.00 20.41 C ATOM 467 O GLY A 31 11.789 -15.056 -7.635 1.00 52.35 O ATOM 0 H GLY A 31 13.196 -19.149 -7.837 1.00 62.54 H new ATOM 0 HA2 GLY A 31 13.749 -16.484 -8.309 1.00 15.43 H new ATOM 0 HA3 GLY A 31 12.612 -17.470 -9.207 1.00 15.43 H new ATOM 471 N LYS A 32 10.654 -16.957 -7.238 1.00 52.31 N ATOM 472 CA LYS A 32 9.485 -16.275 -6.695 1.00 73.31 C ATOM 473 C LYS A 32 9.619 -16.082 -5.188 1.00 32.10 C ATOM 474 O LYS A 32 9.103 -15.115 -4.627 1.00 70.01 O ATOM 475 CB LYS A 32 8.215 -17.070 -7.007 1.00 72.31 C ATOM 476 CG LYS A 32 6.944 -16.243 -6.923 1.00 75.41 C ATOM 477 CD LYS A 32 6.359 -16.261 -5.521 1.00 13.42 C ATOM 478 CE LYS A 32 5.592 -14.982 -5.221 1.00 54.21 C ATOM 479 NZ LYS A 32 4.223 -15.006 -5.807 1.00 14.04 N ATOM 0 H LYS A 32 10.578 -17.974 -7.257 1.00 52.31 H new ATOM 0 HA LYS A 32 9.417 -15.294 -7.165 1.00 73.31 H new ATOM 0 HB2 LYS A 32 8.298 -17.493 -8.008 1.00 72.31 H new ATOM 0 HB3 LYS A 32 8.141 -17.907 -6.313 1.00 72.31 H new ATOM 0 HG2 LYS A 32 7.158 -15.215 -7.216 1.00 75.41 H new ATOM 0 HG3 LYS A 32 6.210 -16.630 -7.630 1.00 75.41 H new ATOM 0 HD2 LYS A 32 5.695 -17.119 -5.414 1.00 13.42 H new ATOM 0 HD3 LYS A 32 7.160 -16.385 -4.793 1.00 13.42 H new ATOM 0 HE2 LYS A 32 5.523 -14.845 -4.142 1.00 54.21 H new ATOM 0 HE3 LYS A 32 6.141 -14.128 -5.616 1.00 54.21 H new ATOM 0 HZ1 LYS A 32 3.733 -14.117 -5.581 1.00 14.04 H new ATOM 0 HZ2 LYS A 32 4.289 -15.112 -6.840 1.00 14.04 H new ATOM 0 HZ3 LYS A 32 3.690 -15.806 -5.411 1.00 14.04 H new ATOM 493 N LYS A 33 10.316 -17.007 -4.537 1.00 72.42 N ATOM 494 CA LYS A 33 10.521 -16.938 -3.095 1.00 72.23 C ATOM 495 C LYS A 33 11.311 -15.689 -2.717 1.00 61.44 C ATOM 496 O LYS A 33 11.128 -15.131 -1.635 1.00 3.50 O ATOM 497 CB LYS A 33 11.255 -18.188 -2.603 1.00 51.42 C ATOM 498 CG LYS A 33 11.228 -18.354 -1.094 1.00 3.33 C ATOM 499 CD LYS A 33 11.576 -19.775 -0.683 1.00 12.21 C ATOM 500 CE LYS A 33 10.368 -20.694 -0.780 1.00 61.20 C ATOM 501 NZ LYS A 33 10.743 -22.124 -0.599 1.00 44.13 N ATOM 0 H LYS A 33 10.749 -17.814 -4.986 1.00 72.42 H new ATOM 0 HA LYS A 33 9.543 -16.887 -2.616 1.00 72.23 H new ATOM 0 HB2 LYS A 33 10.807 -19.068 -3.065 1.00 51.42 H new ATOM 0 HB3 LYS A 33 12.292 -18.146 -2.937 1.00 51.42 H new ATOM 0 HG2 LYS A 33 11.933 -17.659 -0.638 1.00 3.33 H new ATOM 0 HG3 LYS A 33 10.238 -18.097 -0.716 1.00 3.33 H new ATOM 0 HD2 LYS A 33 12.375 -20.154 -1.320 1.00 12.21 H new ATOM 0 HD3 LYS A 33 11.955 -19.777 0.339 1.00 12.21 H new ATOM 0 HE2 LYS A 33 9.636 -20.412 -0.024 1.00 61.20 H new ATOM 0 HE3 LYS A 33 9.890 -20.564 -1.751 1.00 61.20 H new ATOM 0 HZ1 LYS A 33 9.892 -22.718 -0.672 1.00 44.13 H new ATOM 0 HZ2 LYS A 33 11.423 -22.401 -1.336 1.00 44.13 H new ATOM 0 HZ3 LYS A 33 11.176 -22.253 0.338 1.00 44.13 H new ATOM 515 N LEU A 34 12.188 -15.256 -3.616 1.00 4.23 N ATOM 516 CA LEU A 34 13.006 -14.071 -3.377 1.00 72.30 C ATOM 517 C LEU A 34 12.497 -12.885 -4.190 1.00 73.52 C ATOM 518 O LEU A 34 12.182 -11.831 -3.639 1.00 71.44 O ATOM 519 CB LEU A 34 14.467 -14.356 -3.729 1.00 72.34 C ATOM 520 CG LEU A 34 15.326 -14.939 -2.607 1.00 64.32 C ATOM 521 CD1 LEU A 34 15.373 -13.988 -1.422 1.00 22.25 C ATOM 522 CD2 LEU A 34 14.796 -16.300 -2.181 1.00 73.30 C ATOM 0 H LEU A 34 12.351 -15.707 -4.516 1.00 4.23 H new ATOM 0 HA LEU A 34 12.936 -13.819 -2.319 1.00 72.30 H new ATOM 0 HB2 LEU A 34 14.489 -15.046 -4.572 1.00 72.34 H new ATOM 0 HB3 LEU A 34 14.927 -13.427 -4.066 1.00 72.34 H new ATOM 0 HG LEU A 34 16.341 -15.069 -2.983 1.00 64.32 H new ATOM 0 HD11 LEU A 34 15.989 -14.420 -0.633 1.00 22.25 H new ATOM 0 HD12 LEU A 34 15.801 -13.036 -1.736 1.00 22.25 H new ATOM 0 HD13 LEU A 34 14.363 -13.825 -1.046 1.00 22.25 H new ATOM 0 HD21 LEU A 34 15.420 -16.700 -1.382 1.00 73.30 H new ATOM 0 HD22 LEU A 34 13.771 -16.196 -1.824 1.00 73.30 H new ATOM 0 HD23 LEU A 34 14.816 -16.981 -3.032 1.00 73.30 H new ATOM 534 N GLY A 35 12.416 -13.067 -5.505 1.00 45.40 N ATOM 535 CA GLY A 35 11.943 -12.004 -6.373 1.00 32.13 C ATOM 536 C GLY A 35 10.517 -12.226 -6.836 1.00 34.24 C ATOM 537 O GLY A 35 9.576 -12.115 -6.048 1.00 52.13 O ATOM 0 H GLY A 35 12.669 -13.931 -5.984 1.00 45.40 H new ATOM 0 HA2 GLY A 35 12.006 -11.053 -5.845 1.00 32.13 H new ATOM 0 HA3 GLY A 35 12.597 -11.931 -7.242 1.00 32.13 H new ATOM 541 N LEU A 36 10.354 -12.539 -8.116 1.00 61.43 N ATOM 542 CA LEU A 36 9.031 -12.776 -8.684 1.00 64.12 C ATOM 543 C LEU A 36 9.017 -14.055 -9.516 1.00 53.51 C ATOM 544 O LEU A 36 8.248 -14.977 -9.243 1.00 50.42 O ATOM 545 CB LEU A 36 8.605 -11.587 -9.548 1.00 22.44 C ATOM 546 CG LEU A 36 7.847 -10.472 -8.827 1.00 5.12 C ATOM 547 CD1 LEU A 36 8.081 -9.136 -9.516 1.00 21.42 C ATOM 548 CD2 LEU A 36 6.361 -10.790 -8.766 1.00 54.13 C ATOM 0 H LEU A 36 11.121 -12.635 -8.781 1.00 61.43 H new ATOM 0 HA LEU A 36 8.325 -12.891 -7.862 1.00 64.12 H new ATOM 0 HB2 LEU A 36 9.497 -11.157 -10.004 1.00 22.44 H new ATOM 0 HB3 LEU A 36 7.979 -11.959 -10.360 1.00 22.44 H new ATOM 0 HG LEU A 36 8.225 -10.403 -7.807 1.00 5.12 H new ATOM 0 HD11 LEU A 36 7.534 -8.354 -8.989 1.00 21.42 H new ATOM 0 HD12 LEU A 36 9.146 -8.903 -9.506 1.00 21.42 H new ATOM 0 HD13 LEU A 36 7.731 -9.192 -10.547 1.00 21.42 H new ATOM 0 HD21 LEU A 36 5.838 -9.985 -8.249 1.00 54.13 H new ATOM 0 HD22 LEU A 36 5.968 -10.888 -9.778 1.00 54.13 H new ATOM 0 HD23 LEU A 36 6.211 -11.725 -8.227 1.00 54.13 H new ATOM 560 N VAL A 37 9.873 -14.104 -10.531 1.00 44.34 N ATOM 561 CA VAL A 37 9.962 -15.270 -11.401 1.00 74.43 C ATOM 562 C VAL A 37 11.372 -15.438 -11.954 1.00 25.41 C ATOM 563 O VAL A 37 12.278 -14.678 -11.615 1.00 1.04 O ATOM 564 CB VAL A 37 8.970 -15.171 -12.576 1.00 45.21 C ATOM 565 CG1 VAL A 37 7.537 -15.193 -12.069 1.00 13.24 C ATOM 566 CG2 VAL A 37 9.237 -13.915 -13.392 1.00 53.12 C ATOM 0 H VAL A 37 10.515 -13.349 -10.771 1.00 44.34 H new ATOM 0 HA VAL A 37 9.708 -16.138 -10.793 1.00 74.43 H new ATOM 0 HB VAL A 37 9.113 -16.036 -13.224 1.00 45.21 H new ATOM 0 HG11 VAL A 37 6.851 -15.122 -12.913 1.00 13.24 H new ATOM 0 HG12 VAL A 37 7.356 -16.124 -11.531 1.00 13.24 H new ATOM 0 HG13 VAL A 37 7.375 -14.349 -11.398 1.00 13.24 H new ATOM 0 HG21 VAL A 37 8.528 -13.860 -14.218 1.00 53.12 H new ATOM 0 HG22 VAL A 37 9.122 -13.037 -12.756 1.00 53.12 H new ATOM 0 HG23 VAL A 37 10.252 -13.947 -13.787 1.00 53.12 H new ATOM 576 N GLY A 38 11.552 -16.441 -12.809 1.00 0.20 N ATOM 577 CA GLY A 38 12.856 -16.691 -13.396 1.00 15.22 C ATOM 578 C GLY A 38 13.011 -18.121 -13.874 1.00 45.31 C ATOM 579 O GLY A 38 12.045 -18.883 -13.898 1.00 40.35 O ATOM 0 H GLY A 38 10.818 -17.085 -13.105 1.00 0.20 H new ATOM 0 HA2 GLY A 38 13.010 -16.012 -14.235 1.00 15.22 H new ATOM 0 HA3 GLY A 38 13.630 -16.471 -12.661 1.00 15.22 H new ATOM 583 N TRP A 39 14.230 -18.485 -14.257 1.00 31.04 N ATOM 584 CA TRP A 39 14.508 -19.833 -14.738 1.00 63.34 C ATOM 585 C TRP A 39 15.997 -20.150 -14.641 1.00 54.53 C ATOM 586 O TRP A 39 16.787 -19.327 -14.178 1.00 61.30 O ATOM 587 CB TRP A 39 14.035 -19.988 -16.185 1.00 33.15 C ATOM 588 CG TRP A 39 14.742 -19.077 -17.142 1.00 30.40 C ATOM 589 CD1 TRP A 39 15.887 -19.347 -17.835 1.00 45.10 C ATOM 590 CD2 TRP A 39 14.351 -17.750 -17.510 1.00 31.11 C ATOM 591 NE1 TRP A 39 16.232 -18.267 -18.612 1.00 21.03 N ATOM 592 CE2 TRP A 39 15.305 -17.275 -18.431 1.00 1.12 C ATOM 593 CE3 TRP A 39 13.287 -16.918 -17.153 1.00 12.31 C ATOM 594 CZ2 TRP A 39 15.225 -16.005 -18.996 1.00 65.12 C ATOM 595 CZ3 TRP A 39 13.209 -15.658 -17.715 1.00 4.43 C ATOM 596 CH2 TRP A 39 14.173 -15.211 -18.629 1.00 22.24 C ATOM 0 H TRP A 39 15.041 -17.866 -14.244 1.00 31.04 H new ATOM 0 HA TRP A 39 13.964 -20.536 -14.107 1.00 63.34 H new ATOM 0 HB2 TRP A 39 14.185 -21.021 -16.500 1.00 33.15 H new ATOM 0 HB3 TRP A 39 12.964 -19.792 -16.232 1.00 33.15 H new ATOM 0 HD1 TRP A 39 16.440 -20.273 -17.781 1.00 45.10 H new ATOM 0 HE1 TRP A 39 17.046 -18.213 -19.224 1.00 21.03 H new ATOM 0 HE3 TRP A 39 12.539 -17.254 -16.450 1.00 12.31 H new ATOM 0 HZ2 TRP A 39 15.968 -15.659 -19.700 1.00 65.12 H new ATOM 0 HZ3 TRP A 39 12.391 -15.006 -17.445 1.00 4.43 H new ATOM 0 HH2 TRP A 39 14.084 -14.221 -19.052 1.00 22.24 H new ATOM 607 N VAL A 40 16.373 -21.346 -15.081 1.00 60.13 N ATOM 608 CA VAL A 40 17.768 -21.770 -15.045 1.00 34.11 C ATOM 609 C VAL A 40 18.209 -22.324 -16.395 1.00 32.42 C ATOM 610 O VAL A 40 17.427 -22.963 -17.099 1.00 44.24 O ATOM 611 CB VAL A 40 18.001 -22.840 -13.962 1.00 32.12 C ATOM 612 CG1 VAL A 40 19.485 -23.137 -13.815 1.00 44.12 C ATOM 613 CG2 VAL A 40 17.404 -22.394 -12.635 1.00 43.15 C ATOM 0 H VAL A 40 15.731 -22.039 -15.467 1.00 60.13 H new ATOM 0 HA VAL A 40 18.361 -20.887 -14.807 1.00 34.11 H new ATOM 0 HB VAL A 40 17.500 -23.758 -14.269 1.00 32.12 H new ATOM 0 HG11 VAL A 40 19.630 -23.895 -13.045 1.00 44.12 H new ATOM 0 HG12 VAL A 40 19.879 -23.503 -14.763 1.00 44.12 H new ATOM 0 HG13 VAL A 40 20.012 -22.226 -13.531 1.00 44.12 H new ATOM 0 HG21 VAL A 40 17.578 -23.162 -11.881 1.00 43.15 H new ATOM 0 HG22 VAL A 40 17.874 -21.463 -12.319 1.00 43.15 H new ATOM 0 HG23 VAL A 40 16.332 -22.237 -12.753 1.00 43.15 H new ATOM 623 N GLN A 41 19.466 -22.076 -16.748 1.00 32.20 N ATOM 624 CA GLN A 41 20.011 -22.551 -18.014 1.00 51.24 C ATOM 625 C GLN A 41 21.453 -23.017 -17.846 1.00 22.14 C ATOM 626 O GLN A 41 22.295 -22.286 -17.325 1.00 71.31 O ATOM 627 CB GLN A 41 19.940 -21.446 -19.070 1.00 73.43 C ATOM 628 CG GLN A 41 19.846 -21.971 -20.494 1.00 71.10 C ATOM 629 CD GLN A 41 20.094 -20.893 -21.531 1.00 31.23 C ATOM 630 OE1 GLN A 41 20.071 -19.701 -21.222 1.00 31.42 O ATOM 631 NE2 GLN A 41 20.333 -21.307 -22.770 1.00 3.24 N ATOM 0 H GLN A 41 20.126 -21.549 -16.176 1.00 32.20 H new ATOM 0 HA GLN A 41 19.411 -23.399 -18.343 1.00 51.24 H new ATOM 0 HB2 GLN A 41 19.075 -20.815 -18.866 1.00 73.43 H new ATOM 0 HB3 GLN A 41 20.823 -20.814 -18.982 1.00 73.43 H new ATOM 0 HG2 GLN A 41 20.571 -22.774 -20.630 1.00 71.10 H new ATOM 0 HG3 GLN A 41 18.858 -22.403 -20.654 1.00 71.10 H new ATOM 0 HE21 GLN A 41 20.343 -22.305 -22.981 1.00 3.24 H new ATOM 0 HE22 GLN A 41 20.507 -20.627 -23.510 1.00 3.24 H new ATOM 640 N ASN A 42 21.731 -24.239 -18.289 1.00 54.10 N ATOM 641 CA ASN A 42 23.071 -24.803 -18.186 1.00 65.20 C ATOM 642 C ASN A 42 23.853 -24.589 -19.479 1.00 13.31 C ATOM 643 O ASN A 42 23.277 -24.552 -20.567 1.00 1.40 O ATOM 644 CB ASN A 42 22.995 -26.297 -17.865 1.00 23.22 C ATOM 645 CG ASN A 42 22.158 -27.063 -18.871 1.00 42.01 C ATOM 646 OD1 ASN A 42 20.962 -26.812 -19.019 1.00 30.31 O ATOM 647 ND2 ASN A 42 22.785 -28.003 -19.569 1.00 3.21 N ATOM 0 H ASN A 42 21.046 -24.857 -18.723 1.00 54.10 H new ATOM 0 HA ASN A 42 23.592 -24.290 -17.378 1.00 65.20 H new ATOM 0 HB2 ASN A 42 24.002 -26.713 -17.843 1.00 23.22 H new ATOM 0 HB3 ASN A 42 22.573 -26.431 -16.869 1.00 23.22 H new ATOM 0 HD21 ASN A 42 22.274 -28.551 -20.261 1.00 3.21 H new ATOM 0 HD22 ASN A 42 23.778 -28.177 -19.413 1.00 3.21 H new ATOM 654 N THR A 43 25.169 -24.448 -19.352 1.00 73.54 N ATOM 655 CA THR A 43 26.029 -24.237 -20.509 1.00 65.34 C ATOM 656 C THR A 43 26.582 -25.558 -21.032 1.00 60.40 C ATOM 657 O THR A 43 26.527 -26.580 -20.347 1.00 10.32 O ATOM 658 CB THR A 43 27.204 -23.300 -20.172 1.00 24.11 C ATOM 659 OG1 THR A 43 28.095 -23.943 -19.253 1.00 42.40 O ATOM 660 CG2 THR A 43 26.701 -21.996 -19.571 1.00 23.42 C ATOM 0 H THR A 43 25.662 -24.476 -18.459 1.00 73.54 H new ATOM 0 HA THR A 43 25.413 -23.773 -21.280 1.00 65.34 H new ATOM 0 HB THR A 43 27.737 -23.074 -21.096 1.00 24.11 H new ATOM 0 HG1 THR A 43 27.586 -24.283 -18.488 1.00 42.40 H new ATOM 0 HG21 THR A 43 27.549 -21.350 -19.341 1.00 23.42 H new ATOM 0 HG22 THR A 43 26.046 -21.495 -20.284 1.00 23.42 H new ATOM 0 HG23 THR A 43 26.147 -22.207 -18.656 1.00 23.42 H new ATOM 668 N ASP A 44 27.115 -25.531 -22.249 1.00 32.44 N ATOM 669 CA ASP A 44 27.680 -26.727 -22.863 1.00 34.53 C ATOM 670 C ASP A 44 29.196 -26.759 -22.697 1.00 73.12 C ATOM 671 O ASP A 44 29.919 -27.190 -23.595 1.00 42.44 O ATOM 672 CB ASP A 44 27.315 -26.785 -24.347 1.00 32.51 C ATOM 673 CG ASP A 44 27.585 -25.476 -25.061 1.00 14.40 C ATOM 674 OD1 ASP A 44 28.559 -24.788 -24.691 1.00 31.24 O ATOM 675 OD2 ASP A 44 26.821 -25.137 -25.990 1.00 32.44 O ATOM 0 H ASP A 44 27.168 -24.694 -22.830 1.00 32.44 H new ATOM 0 HA ASP A 44 27.260 -27.597 -22.359 1.00 34.53 H new ATOM 0 HB2 ASP A 44 27.884 -27.581 -24.827 1.00 32.51 H new ATOM 0 HB3 ASP A 44 26.260 -27.040 -24.449 1.00 32.51 H new ATOM 680 N ARG A 45 29.670 -26.299 -21.544 1.00 33.43 N ATOM 681 CA ARG A 45 31.100 -26.273 -21.262 1.00 12.14 C ATOM 682 C ARG A 45 31.396 -26.884 -19.895 1.00 13.31 C ATOM 683 O ARG A 45 32.375 -27.609 -19.727 1.00 2.34 O ATOM 684 CB ARG A 45 31.625 -24.837 -21.315 1.00 62.20 C ATOM 685 CG ARG A 45 32.026 -24.387 -22.710 1.00 43.02 C ATOM 686 CD ARG A 45 32.506 -22.944 -22.714 1.00 1.04 C ATOM 687 NE ARG A 45 32.236 -22.280 -23.986 1.00 62.42 N ATOM 688 CZ ARG A 45 32.347 -20.969 -24.170 1.00 23.45 C ATOM 689 NH1 ARG A 45 32.722 -20.186 -23.168 1.00 15.05 N ATOM 690 NH2 ARG A 45 32.084 -20.440 -25.357 1.00 44.24 N ATOM 0 H ARG A 45 29.085 -25.939 -20.790 1.00 33.43 H new ATOM 0 HA ARG A 45 31.606 -26.867 -22.023 1.00 12.14 H new ATOM 0 HB2 ARG A 45 30.858 -24.164 -20.932 1.00 62.20 H new ATOM 0 HB3 ARG A 45 32.486 -24.749 -20.652 1.00 62.20 H new ATOM 0 HG2 ARG A 45 32.816 -25.035 -23.089 1.00 43.02 H new ATOM 0 HG3 ARG A 45 31.177 -24.491 -23.385 1.00 43.02 H new ATOM 0 HD2 ARG A 45 32.016 -22.397 -21.909 1.00 1.04 H new ATOM 0 HD3 ARG A 45 33.577 -22.918 -22.512 1.00 1.04 H new ATOM 0 HE ARG A 45 31.946 -22.855 -24.777 1.00 62.42 H new ATOM 0 HH11 ARG A 45 32.926 -20.590 -22.254 1.00 15.05 H new ATOM 0 HH12 ARG A 45 32.807 -19.180 -23.311 1.00 15.05 H new ATOM 0 HH21 ARG A 45 31.796 -21.040 -26.130 1.00 44.24 H new ATOM 0 HH22 ARG A 45 32.170 -19.433 -25.497 1.00 44.24 H new ATOM 704 N GLY A 46 30.541 -26.584 -18.921 1.00 24.41 N ATOM 705 CA GLY A 46 30.729 -27.111 -17.582 1.00 31.42 C ATOM 706 C GLY A 46 30.348 -26.112 -16.507 1.00 62.51 C ATOM 707 O GLY A 46 31.077 -25.929 -15.532 1.00 24.53 O ATOM 0 H GLY A 46 29.723 -25.986 -19.036 1.00 24.41 H new ATOM 0 HA2 GLY A 46 30.130 -28.014 -17.463 1.00 31.42 H new ATOM 0 HA3 GLY A 46 31.772 -27.400 -17.452 1.00 31.42 H new ATOM 711 N THR A 47 29.203 -25.462 -16.685 1.00 54.31 N ATOM 712 CA THR A 47 28.728 -24.474 -15.725 1.00 14.14 C ATOM 713 C THR A 47 27.217 -24.292 -15.824 1.00 44.14 C ATOM 714 O THR A 47 26.567 -24.880 -16.688 1.00 72.04 O ATOM 715 CB THR A 47 29.413 -23.110 -15.936 1.00 34.43 C ATOM 716 OG1 THR A 47 29.698 -22.916 -17.325 1.00 41.53 O ATOM 717 CG2 THR A 47 30.700 -23.021 -15.131 1.00 23.52 C ATOM 0 H THR A 47 28.587 -25.602 -17.486 1.00 54.31 H new ATOM 0 HA THR A 47 28.982 -24.850 -14.734 1.00 14.14 H new ATOM 0 HB THR A 47 28.734 -22.329 -15.592 1.00 34.43 H new ATOM 0 HG1 THR A 47 28.942 -23.233 -17.862 1.00 41.53 H new ATOM 0 HG21 THR A 47 31.166 -22.049 -15.296 1.00 23.52 H new ATOM 0 HG22 THR A 47 30.475 -23.140 -14.071 1.00 23.52 H new ATOM 0 HG23 THR A 47 31.383 -23.809 -15.448 1.00 23.52 H new ATOM 725 N VAL A 48 26.665 -23.473 -14.935 1.00 54.13 N ATOM 726 CA VAL A 48 25.230 -23.212 -14.925 1.00 1.14 C ATOM 727 C VAL A 48 24.943 -21.732 -14.701 1.00 14.45 C ATOM 728 O VAL A 48 25.534 -21.100 -13.825 1.00 63.44 O ATOM 729 CB VAL A 48 24.518 -24.033 -13.833 1.00 4.21 C ATOM 730 CG1 VAL A 48 23.027 -23.732 -13.825 1.00 5.53 C ATOM 731 CG2 VAL A 48 24.769 -25.519 -14.036 1.00 62.41 C ATOM 0 H VAL A 48 27.189 -22.979 -14.213 1.00 54.13 H new ATOM 0 HA VAL A 48 24.847 -23.510 -15.901 1.00 1.14 H new ATOM 0 HB VAL A 48 24.927 -23.748 -12.864 1.00 4.21 H new ATOM 0 HG11 VAL A 48 22.541 -24.321 -13.047 1.00 5.53 H new ATOM 0 HG12 VAL A 48 22.871 -22.671 -13.628 1.00 5.53 H new ATOM 0 HG13 VAL A 48 22.599 -23.987 -14.794 1.00 5.53 H new ATOM 0 HG21 VAL A 48 24.259 -26.084 -13.256 1.00 62.41 H new ATOM 0 HG22 VAL A 48 24.389 -25.822 -15.011 1.00 62.41 H new ATOM 0 HG23 VAL A 48 25.840 -25.717 -13.986 1.00 62.41 H new ATOM 741 N GLN A 49 24.030 -21.185 -15.497 1.00 50.50 N ATOM 742 CA GLN A 49 23.664 -19.777 -15.385 1.00 61.53 C ATOM 743 C GLN A 49 22.168 -19.622 -15.132 1.00 61.54 C ATOM 744 O GLN A 49 21.345 -19.991 -15.970 1.00 4.43 O ATOM 745 CB GLN A 49 24.059 -19.023 -16.656 1.00 64.52 C ATOM 746 CG GLN A 49 25.548 -19.078 -16.957 1.00 44.35 C ATOM 747 CD GLN A 49 25.932 -18.233 -18.156 1.00 44.22 C ATOM 748 OE1 GLN A 49 25.149 -17.406 -18.624 1.00 70.00 O ATOM 749 NE2 GLN A 49 27.144 -18.436 -18.661 1.00 32.35 N ATOM 0 H GLN A 49 23.530 -21.694 -16.226 1.00 50.50 H new ATOM 0 HA GLN A 49 24.203 -19.354 -14.537 1.00 61.53 H new ATOM 0 HB2 GLN A 49 23.510 -19.439 -17.501 1.00 64.52 H new ATOM 0 HB3 GLN A 49 23.754 -17.981 -16.560 1.00 64.52 H new ATOM 0 HG2 GLN A 49 26.104 -18.737 -16.084 1.00 44.35 H new ATOM 0 HG3 GLN A 49 25.841 -20.112 -17.137 1.00 44.35 H new ATOM 0 HE21 GLN A 49 27.761 -19.132 -18.242 1.00 32.35 H new ATOM 0 HE22 GLN A 49 27.457 -17.896 -19.468 1.00 32.35 H new ATOM 758 N GLY A 50 21.823 -19.075 -13.971 1.00 14.10 N ATOM 759 CA GLY A 50 20.426 -18.881 -13.628 1.00 72.44 C ATOM 760 C GLY A 50 19.932 -17.490 -13.970 1.00 44.44 C ATOM 761 O GLY A 50 20.627 -16.502 -13.730 1.00 73.34 O ATOM 0 H GLY A 50 22.486 -18.763 -13.261 1.00 14.10 H new ATOM 0 HA2 GLY A 50 19.820 -19.618 -14.155 1.00 72.44 H new ATOM 0 HA3 GLY A 50 20.289 -19.060 -12.562 1.00 72.44 H new ATOM 765 N GLN A 51 18.731 -17.411 -14.534 1.00 21.02 N ATOM 766 CA GLN A 51 18.147 -16.129 -14.912 1.00 24.45 C ATOM 767 C GLN A 51 17.184 -15.632 -13.838 1.00 64.43 C ATOM 768 O GLN A 51 16.555 -16.427 -13.138 1.00 55.45 O ATOM 769 CB GLN A 51 17.418 -16.252 -16.251 1.00 2.04 C ATOM 770 CG GLN A 51 18.350 -16.269 -17.452 1.00 0.55 C ATOM 771 CD GLN A 51 19.030 -17.610 -17.645 1.00 15.14 C ATOM 772 OE1 GLN A 51 18.603 -18.621 -17.086 1.00 3.25 O ATOM 773 NE2 GLN A 51 20.093 -17.626 -18.440 1.00 30.14 N ATOM 0 H GLN A 51 18.143 -18.219 -14.739 1.00 21.02 H new ATOM 0 HA GLN A 51 18.955 -15.405 -15.012 1.00 24.45 H new ATOM 0 HB2 GLN A 51 16.824 -17.166 -16.249 1.00 2.04 H new ATOM 0 HB3 GLN A 51 16.722 -15.420 -16.354 1.00 2.04 H new ATOM 0 HG2 GLN A 51 17.784 -16.021 -18.350 1.00 0.55 H new ATOM 0 HG3 GLN A 51 19.108 -15.496 -17.329 1.00 0.55 H new ATOM 0 HE21 GLN A 51 20.412 -16.764 -18.883 1.00 30.14 H new ATOM 0 HE22 GLN A 51 20.591 -18.500 -18.608 1.00 30.14 H new ATOM 782 N LEU A 52 17.075 -14.314 -13.713 1.00 60.43 N ATOM 783 CA LEU A 52 16.189 -13.711 -12.725 1.00 15.35 C ATOM 784 C LEU A 52 15.569 -12.425 -13.262 1.00 13.30 C ATOM 785 O LEU A 52 16.223 -11.657 -13.967 1.00 23.21 O ATOM 786 CB LEU A 52 16.955 -13.420 -11.433 1.00 43.23 C ATOM 787 CG LEU A 52 16.252 -12.510 -10.425 1.00 71.33 C ATOM 788 CD1 LEU A 52 15.017 -13.194 -9.860 1.00 74.24 C ATOM 789 CD2 LEU A 52 17.205 -12.117 -9.306 1.00 31.11 C ATOM 0 H LEU A 52 17.589 -13.643 -14.284 1.00 60.43 H new ATOM 0 HA LEU A 52 15.387 -14.419 -12.513 1.00 15.35 H new ATOM 0 HB2 LEU A 52 17.175 -14.369 -10.944 1.00 43.23 H new ATOM 0 HB3 LEU A 52 17.911 -12.967 -11.695 1.00 43.23 H new ATOM 0 HG LEU A 52 15.936 -11.603 -10.941 1.00 71.33 H new ATOM 0 HD11 LEU A 52 14.530 -12.532 -9.145 1.00 74.24 H new ATOM 0 HD12 LEU A 52 14.326 -13.424 -10.671 1.00 74.24 H new ATOM 0 HD13 LEU A 52 15.309 -14.117 -9.359 1.00 74.24 H new ATOM 0 HD21 LEU A 52 16.688 -11.469 -8.598 1.00 31.11 H new ATOM 0 HD22 LEU A 52 17.552 -13.013 -8.792 1.00 31.11 H new ATOM 0 HD23 LEU A 52 18.060 -11.586 -9.726 1.00 31.11 H new ATOM 801 N GLN A 53 14.304 -12.196 -12.922 1.00 63.31 N ATOM 802 CA GLN A 53 13.597 -11.002 -13.370 1.00 23.22 C ATOM 803 C GLN A 53 12.673 -10.475 -12.277 1.00 42.00 C ATOM 804 O GLN A 53 11.628 -11.061 -11.998 1.00 53.54 O ATOM 805 CB GLN A 53 12.791 -11.305 -14.634 1.00 10.01 C ATOM 806 CG GLN A 53 13.571 -12.083 -15.681 1.00 41.13 C ATOM 807 CD GLN A 53 13.091 -11.806 -17.092 1.00 54.31 C ATOM 808 OE1 GLN A 53 11.928 -11.463 -17.308 1.00 74.52 O ATOM 809 NE2 GLN A 53 13.986 -11.952 -18.062 1.00 75.11 N ATOM 0 H GLN A 53 13.748 -12.821 -12.338 1.00 63.31 H new ATOM 0 HA GLN A 53 14.338 -10.235 -13.596 1.00 23.22 H new ATOM 0 HB2 GLN A 53 11.901 -11.872 -14.360 1.00 10.01 H new ATOM 0 HB3 GLN A 53 12.449 -10.367 -15.071 1.00 10.01 H new ATOM 0 HG2 GLN A 53 14.628 -11.828 -15.604 1.00 41.13 H new ATOM 0 HG3 GLN A 53 13.484 -13.150 -15.475 1.00 41.13 H new ATOM 0 HE21 GLN A 53 14.939 -12.238 -17.838 1.00 75.11 H new ATOM 0 HE22 GLN A 53 13.720 -11.778 -19.031 1.00 75.11 H new ATOM 818 N GLY A 54 13.067 -9.365 -11.660 1.00 52.44 N ATOM 819 CA GLY A 54 12.263 -8.777 -10.605 1.00 34.53 C ATOM 820 C GLY A 54 12.744 -7.395 -10.210 1.00 32.42 C ATOM 821 O GLY A 54 13.622 -6.815 -10.848 1.00 0.41 O ATOM 0 H GLY A 54 13.929 -8.863 -11.872 1.00 52.44 H new ATOM 0 HA2 GLY A 54 11.226 -8.717 -10.934 1.00 34.53 H new ATOM 0 HA3 GLY A 54 12.283 -9.429 -9.731 1.00 34.53 H new ATOM 825 N PRO A 55 12.160 -6.846 -9.134 1.00 61.23 N ATOM 826 CA PRO A 55 12.518 -5.516 -8.632 1.00 30.42 C ATOM 827 C PRO A 55 13.911 -5.486 -8.013 1.00 22.21 C ATOM 828 O PRO A 55 14.321 -6.431 -7.338 1.00 64.34 O ATOM 829 CB PRO A 55 11.454 -5.241 -7.567 1.00 34.33 C ATOM 830 CG PRO A 55 11.009 -6.591 -7.118 1.00 3.41 C ATOM 831 CD PRO A 55 11.106 -7.481 -8.325 1.00 62.45 C ATOM 0 HA PRO A 55 12.545 -4.773 -9.429 1.00 30.42 H new ATOM 0 HB2 PRO A 55 11.863 -4.663 -6.738 1.00 34.33 H new ATOM 0 HB3 PRO A 55 10.623 -4.666 -7.977 1.00 34.33 H new ATOM 0 HG2 PRO A 55 11.639 -6.961 -6.309 1.00 3.41 H new ATOM 0 HG3 PRO A 55 9.988 -6.559 -6.738 1.00 3.41 H new ATOM 0 HD2 PRO A 55 11.370 -8.502 -8.051 1.00 62.45 H new ATOM 0 HD3 PRO A 55 10.160 -7.531 -8.865 1.00 62.45 H new ATOM 839 N ILE A 56 14.634 -4.396 -8.246 1.00 53.31 N ATOM 840 CA ILE A 56 15.980 -4.243 -7.710 1.00 3.15 C ATOM 841 C ILE A 56 15.992 -4.417 -6.195 1.00 35.04 C ATOM 842 O ILE A 56 17.004 -4.803 -5.611 1.00 45.23 O ATOM 843 CB ILE A 56 16.573 -2.866 -8.061 1.00 45.21 C ATOM 844 CG1 ILE A 56 18.036 -2.788 -7.619 1.00 63.41 C ATOM 845 CG2 ILE A 56 15.759 -1.757 -7.412 1.00 50.10 C ATOM 846 CD1 ILE A 56 18.731 -1.515 -8.048 1.00 54.12 C ATOM 0 H ILE A 56 14.310 -3.605 -8.803 1.00 53.31 H new ATOM 0 HA ILE A 56 16.591 -5.021 -8.168 1.00 3.15 H new ATOM 0 HB ILE A 56 16.532 -2.735 -9.142 1.00 45.21 H new ATOM 0 HG12 ILE A 56 18.084 -2.870 -6.533 1.00 63.41 H new ATOM 0 HG13 ILE A 56 18.576 -3.642 -8.027 1.00 63.41 H new ATOM 0 HG21 ILE A 56 16.191 -0.790 -7.670 1.00 50.10 H new ATOM 0 HG22 ILE A 56 14.731 -1.802 -7.771 1.00 50.10 H new ATOM 0 HG23 ILE A 56 15.771 -1.883 -6.329 1.00 50.10 H new ATOM 0 HD11 ILE A 56 19.764 -1.529 -7.700 1.00 54.12 H new ATOM 0 HD12 ILE A 56 18.715 -1.441 -9.135 1.00 54.12 H new ATOM 0 HD13 ILE A 56 18.215 -0.656 -7.618 1.00 54.12 H new ATOM 858 N SER A 57 14.857 -4.131 -5.563 1.00 62.52 N ATOM 859 CA SER A 57 14.737 -4.254 -4.115 1.00 74.52 C ATOM 860 C SER A 57 14.784 -5.718 -3.689 1.00 24.54 C ATOM 861 O SER A 57 15.178 -6.038 -2.567 1.00 30.34 O ATOM 862 CB SER A 57 13.433 -3.614 -3.635 1.00 1.34 C ATOM 863 OG SER A 57 13.209 -2.370 -4.276 1.00 61.35 O ATOM 0 H SER A 57 14.008 -3.813 -6.031 1.00 62.52 H new ATOM 0 HA SER A 57 15.579 -3.733 -3.659 1.00 74.52 H new ATOM 0 HB2 SER A 57 12.599 -4.286 -3.837 1.00 1.34 H new ATOM 0 HB3 SER A 57 13.471 -3.469 -2.555 1.00 1.34 H new ATOM 0 HG SER A 57 12.369 -1.982 -3.953 1.00 61.35 H new ATOM 869 N LYS A 58 14.380 -6.605 -4.592 1.00 45.12 N ATOM 870 CA LYS A 58 14.377 -8.036 -4.313 1.00 3.03 C ATOM 871 C LYS A 58 15.594 -8.714 -4.934 1.00 72.53 C ATOM 872 O LYS A 58 16.127 -9.679 -4.386 1.00 74.52 O ATOM 873 CB LYS A 58 13.094 -8.678 -4.846 1.00 3.34 C ATOM 874 CG LYS A 58 11.846 -8.262 -4.087 1.00 32.43 C ATOM 875 CD LYS A 58 11.888 -8.734 -2.643 1.00 3.12 C ATOM 876 CE LYS A 58 10.490 -8.970 -2.092 1.00 42.32 C ATOM 877 NZ LYS A 58 10.518 -9.753 -0.826 1.00 14.11 N ATOM 0 H LYS A 58 14.050 -6.357 -5.525 1.00 45.12 H new ATOM 0 HA LYS A 58 14.421 -8.170 -3.232 1.00 3.03 H new ATOM 0 HB2 LYS A 58 12.975 -8.414 -5.897 1.00 3.34 H new ATOM 0 HB3 LYS A 58 13.193 -9.762 -4.799 1.00 3.34 H new ATOM 0 HG2 LYS A 58 11.748 -7.177 -4.113 1.00 32.43 H new ATOM 0 HG3 LYS A 58 10.965 -8.674 -4.580 1.00 32.43 H new ATOM 0 HD2 LYS A 58 12.466 -9.656 -2.577 1.00 3.12 H new ATOM 0 HD3 LYS A 58 12.401 -7.992 -2.031 1.00 3.12 H new ATOM 0 HE2 LYS A 58 10.003 -8.011 -1.915 1.00 42.32 H new ATOM 0 HE3 LYS A 58 9.892 -9.500 -2.834 1.00 42.32 H new ATOM 0 HZ1 LYS A 58 9.546 -9.893 -0.483 1.00 14.11 H new ATOM 0 HZ2 LYS A 58 10.960 -10.678 -1.000 1.00 14.11 H new ATOM 0 HZ3 LYS A 58 11.067 -9.236 -0.110 1.00 14.11 H new ATOM 891 N VAL A 59 16.029 -8.203 -6.081 1.00 45.23 N ATOM 892 CA VAL A 59 17.185 -8.758 -6.776 1.00 10.20 C ATOM 893 C VAL A 59 18.442 -8.658 -5.919 1.00 33.13 C ATOM 894 O VAL A 59 19.348 -9.484 -6.029 1.00 34.52 O ATOM 895 CB VAL A 59 17.432 -8.040 -8.116 1.00 5.21 C ATOM 896 CG1 VAL A 59 18.654 -8.618 -8.814 1.00 72.12 C ATOM 897 CG2 VAL A 59 16.203 -8.136 -9.007 1.00 22.43 C ATOM 0 H VAL A 59 15.599 -7.405 -6.549 1.00 45.23 H new ATOM 0 HA VAL A 59 16.964 -9.808 -6.970 1.00 10.20 H new ATOM 0 HB VAL A 59 17.623 -6.986 -7.914 1.00 5.21 H new ATOM 0 HG11 VAL A 59 18.813 -8.098 -9.759 1.00 72.12 H new ATOM 0 HG12 VAL A 59 19.530 -8.491 -8.178 1.00 72.12 H new ATOM 0 HG13 VAL A 59 18.496 -9.679 -9.006 1.00 72.12 H new ATOM 0 HG21 VAL A 59 16.396 -7.623 -9.949 1.00 22.43 H new ATOM 0 HG22 VAL A 59 15.977 -9.184 -9.204 1.00 22.43 H new ATOM 0 HG23 VAL A 59 15.354 -7.670 -8.507 1.00 22.43 H new ATOM 907 N ARG A 60 18.489 -7.641 -5.064 1.00 64.33 N ATOM 908 CA ARG A 60 19.636 -7.433 -4.188 1.00 53.20 C ATOM 909 C ARG A 60 19.767 -8.574 -3.184 1.00 11.04 C ATOM 910 O ARG A 60 20.860 -8.862 -2.694 1.00 54.12 O ATOM 911 CB ARG A 60 19.503 -6.100 -3.448 1.00 23.50 C ATOM 912 CG ARG A 60 20.836 -5.502 -3.028 1.00 51.12 C ATOM 913 CD ARG A 60 21.507 -4.772 -4.181 1.00 73.14 C ATOM 914 NE ARG A 60 22.901 -4.451 -3.889 1.00 0.02 N ATOM 915 CZ ARG A 60 23.701 -3.811 -4.735 1.00 30.34 C ATOM 916 NH1 ARG A 60 23.247 -3.426 -5.919 1.00 53.11 N ATOM 917 NH2 ARG A 60 24.958 -3.555 -4.396 1.00 21.31 N ATOM 0 H ARG A 60 17.747 -6.949 -4.959 1.00 64.33 H new ATOM 0 HA ARG A 60 20.534 -7.411 -4.805 1.00 53.20 H new ATOM 0 HB2 ARG A 60 18.981 -5.389 -4.088 1.00 23.50 H new ATOM 0 HB3 ARG A 60 18.884 -6.246 -2.562 1.00 23.50 H new ATOM 0 HG2 ARG A 60 20.681 -4.811 -2.199 1.00 51.12 H new ATOM 0 HG3 ARG A 60 21.493 -6.293 -2.665 1.00 51.12 H new ATOM 0 HD2 ARG A 60 21.457 -5.389 -5.078 1.00 73.14 H new ATOM 0 HD3 ARG A 60 20.961 -3.853 -4.395 1.00 73.14 H new ATOM 0 HE ARG A 60 23.282 -4.734 -2.986 1.00 0.02 H new ATOM 0 HH11 ARG A 60 22.281 -3.621 -6.183 1.00 53.11 H new ATOM 0 HH12 ARG A 60 23.863 -2.935 -6.566 1.00 53.11 H new ATOM 0 HH21 ARG A 60 25.311 -3.850 -3.485 1.00 21.31 H new ATOM 0 HH22 ARG A 60 25.572 -3.064 -5.046 1.00 21.31 H new ATOM 931 N HIS A 61 18.646 -9.220 -2.880 1.00 74.32 N ATOM 932 CA HIS A 61 18.635 -10.330 -1.934 1.00 21.20 C ATOM 933 C HIS A 61 19.142 -11.610 -2.592 1.00 74.12 C ATOM 934 O HIS A 61 20.021 -12.287 -2.060 1.00 42.41 O ATOM 935 CB HIS A 61 17.224 -10.548 -1.387 1.00 21.32 C ATOM 936 CG HIS A 61 17.200 -11.094 0.008 1.00 61.44 C ATOM 937 ND1 HIS A 61 16.037 -11.455 0.655 1.00 62.24 N ATOM 938 CD2 HIS A 61 18.206 -11.342 0.879 1.00 60.23 C ATOM 939 CE1 HIS A 61 16.329 -11.900 1.864 1.00 14.30 C ATOM 940 NE2 HIS A 61 17.638 -11.842 2.025 1.00 43.02 N ATOM 0 H HIS A 61 17.733 -8.994 -3.275 1.00 74.32 H new ATOM 0 HA HIS A 61 19.301 -10.078 -1.109 1.00 21.20 H new ATOM 0 HB2 HIS A 61 16.685 -9.601 -1.407 1.00 21.32 H new ATOM 0 HB3 HIS A 61 16.690 -11.233 -2.046 1.00 21.32 H new ATOM 0 HD2 HIS A 61 19.259 -11.177 0.705 1.00 60.23 H new ATOM 0 HE1 HIS A 61 15.618 -12.252 2.596 1.00 14.30 H new ATOM 0 HE2 HIS A 61 18.145 -12.123 2.864 1.00 43.02 H new ATOM 948 N MET A 62 18.580 -11.936 -3.752 1.00 12.23 N ATOM 949 CA MET A 62 18.975 -13.134 -4.482 1.00 64.41 C ATOM 950 C MET A 62 20.486 -13.170 -4.691 1.00 21.24 C ATOM 951 O MET A 62 21.139 -14.168 -4.386 1.00 45.42 O ATOM 952 CB MET A 62 18.261 -13.193 -5.834 1.00 32.25 C ATOM 953 CG MET A 62 16.926 -13.919 -5.784 1.00 62.22 C ATOM 954 SD MET A 62 16.574 -14.830 -7.300 1.00 44.54 S ATOM 955 CE MET A 62 16.144 -16.437 -6.638 1.00 62.10 C ATOM 0 H MET A 62 17.850 -11.387 -4.206 1.00 12.23 H new ATOM 0 HA MET A 62 18.687 -14.002 -3.889 1.00 64.41 H new ATOM 0 HB2 MET A 62 18.100 -12.177 -6.195 1.00 32.25 H new ATOM 0 HB3 MET A 62 18.909 -13.689 -6.557 1.00 32.25 H new ATOM 0 HG2 MET A 62 16.924 -14.610 -4.941 1.00 62.22 H new ATOM 0 HG3 MET A 62 16.130 -13.196 -5.606 1.00 62.22 H new ATOM 0 HE1 MET A 62 15.557 -16.988 -7.373 1.00 62.10 H new ATOM 0 HE2 MET A 62 17.054 -16.992 -6.410 1.00 62.10 H new ATOM 0 HE3 MET A 62 15.558 -16.311 -5.727 1.00 62.10 H new ATOM 965 N GLN A 63 21.033 -12.076 -5.211 1.00 62.51 N ATOM 966 CA GLN A 63 22.467 -11.985 -5.461 1.00 11.23 C ATOM 967 C GLN A 63 23.260 -12.276 -4.191 1.00 61.31 C ATOM 968 O GLN A 63 24.328 -12.885 -4.242 1.00 61.31 O ATOM 969 CB GLN A 63 22.825 -10.596 -5.993 1.00 25.23 C ATOM 970 CG GLN A 63 22.453 -9.467 -5.046 1.00 12.12 C ATOM 971 CD GLN A 63 22.842 -8.103 -5.582 1.00 22.32 C ATOM 972 OE1 GLN A 63 22.354 -7.672 -6.627 1.00 5.11 O ATOM 973 NE2 GLN A 63 23.725 -7.416 -4.867 1.00 65.11 N ATOM 0 H GLN A 63 20.506 -11.241 -5.467 1.00 62.51 H new ATOM 0 HA GLN A 63 22.729 -12.732 -6.210 1.00 11.23 H new ATOM 0 HB2 GLN A 63 23.896 -10.556 -6.189 1.00 25.23 H new ATOM 0 HB3 GLN A 63 22.320 -10.440 -6.947 1.00 25.23 H new ATOM 0 HG2 GLN A 63 21.378 -9.489 -4.865 1.00 12.12 H new ATOM 0 HG3 GLN A 63 22.941 -9.628 -4.085 1.00 12.12 H new ATOM 0 HE21 GLN A 63 24.104 -7.812 -4.007 1.00 65.11 H new ATOM 0 HE22 GLN A 63 24.025 -6.492 -5.178 1.00 65.11 H new ATOM 982 N GLU A 64 22.730 -11.837 -3.054 1.00 2.21 N ATOM 983 CA GLU A 64 23.391 -12.050 -1.771 1.00 74.25 C ATOM 984 C GLU A 64 22.742 -13.203 -1.011 1.00 23.41 C ATOM 985 O GLU A 64 22.792 -13.256 0.218 1.00 54.40 O ATOM 986 CB GLU A 64 23.339 -10.775 -0.927 1.00 73.05 C ATOM 987 CG GLU A 64 21.959 -10.471 -0.368 1.00 60.01 C ATOM 988 CD GLU A 64 21.870 -9.087 0.245 1.00 21.12 C ATOM 989 OE1 GLU A 64 22.489 -8.153 -0.307 1.00 75.23 O ATOM 990 OE2 GLU A 64 21.183 -8.938 1.277 1.00 11.10 O ATOM 0 H GLU A 64 21.846 -11.332 -2.995 1.00 2.21 H new ATOM 0 HA GLU A 64 24.433 -12.305 -1.965 1.00 74.25 H new ATOM 0 HB2 GLU A 64 24.044 -10.867 -0.101 1.00 73.05 H new ATOM 0 HB3 GLU A 64 23.669 -9.933 -1.535 1.00 73.05 H new ATOM 0 HG2 GLU A 64 21.221 -10.559 -1.165 1.00 60.01 H new ATOM 0 HG3 GLU A 64 21.705 -11.216 0.386 1.00 60.01 H new ATOM 997 N TRP A 65 22.135 -14.124 -1.750 1.00 61.33 N ATOM 998 CA TRP A 65 21.476 -15.277 -1.146 1.00 40.22 C ATOM 999 C TRP A 65 21.961 -16.576 -1.781 1.00 14.41 C ATOM 1000 O TRP A 65 22.209 -17.563 -1.087 1.00 14.41 O ATOM 1001 CB TRP A 65 19.958 -15.158 -1.294 1.00 3.30 C ATOM 1002 CG TRP A 65 19.207 -16.260 -0.611 1.00 73.35 C ATOM 1003 CD1 TRP A 65 19.110 -17.560 -1.018 1.00 61.34 C ATOM 1004 CD2 TRP A 65 18.445 -16.158 0.597 1.00 63.33 C ATOM 1005 NE1 TRP A 65 18.334 -18.273 -0.136 1.00 4.31 N ATOM 1006 CE2 TRP A 65 17.915 -17.436 0.864 1.00 3.31 C ATOM 1007 CE3 TRP A 65 18.162 -15.113 1.480 1.00 75.13 C ATOM 1008 CZ2 TRP A 65 17.118 -17.692 1.976 1.00 32.52 C ATOM 1009 CZ3 TRP A 65 17.370 -15.369 2.583 1.00 74.52 C ATOM 1010 CH2 TRP A 65 16.856 -16.651 2.824 1.00 51.41 C ATOM 0 H TRP A 65 22.085 -14.095 -2.768 1.00 61.33 H new ATOM 0 HA TRP A 65 21.730 -15.296 -0.086 1.00 40.22 H new ATOM 0 HB2 TRP A 65 19.634 -14.200 -0.886 1.00 3.30 H new ATOM 0 HB3 TRP A 65 19.702 -15.156 -2.354 1.00 3.30 H new ATOM 0 HD1 TRP A 65 19.575 -17.968 -1.903 1.00 61.34 H new ATOM 0 HE1 TRP A 65 18.107 -19.264 -0.213 1.00 4.31 H new ATOM 0 HE3 TRP A 65 18.555 -14.123 1.304 1.00 75.13 H new ATOM 0 HZ2 TRP A 65 16.720 -18.678 2.163 1.00 32.52 H new ATOM 0 HZ3 TRP A 65 17.143 -14.568 3.271 1.00 74.52 H new ATOM 0 HH2 TRP A 65 16.241 -16.820 3.696 1.00 51.41 H new ATOM 1021 N LEU A 66 22.094 -16.569 -3.103 1.00 20.35 N ATOM 1022 CA LEU A 66 22.550 -17.748 -3.831 1.00 71.11 C ATOM 1023 C LEU A 66 24.073 -17.826 -3.842 1.00 22.31 C ATOM 1024 O LEU A 66 24.647 -18.905 -3.985 1.00 23.20 O ATOM 1025 CB LEU A 66 22.019 -17.722 -5.265 1.00 60.35 C ATOM 1026 CG LEU A 66 20.686 -18.433 -5.501 1.00 14.24 C ATOM 1027 CD1 LEU A 66 19.579 -17.773 -4.692 1.00 25.33 C ATOM 1028 CD2 LEU A 66 20.337 -18.436 -6.982 1.00 14.52 C ATOM 0 H LEU A 66 21.893 -15.761 -3.692 1.00 20.35 H new ATOM 0 HA LEU A 66 22.163 -18.631 -3.322 1.00 71.11 H new ATOM 0 HB2 LEU A 66 21.912 -16.682 -5.573 1.00 60.35 H new ATOM 0 HB3 LEU A 66 22.768 -18.172 -5.917 1.00 60.35 H new ATOM 0 HG LEU A 66 20.784 -19.467 -5.170 1.00 14.24 H new ATOM 0 HD11 LEU A 66 18.638 -18.292 -4.872 1.00 25.33 H new ATOM 0 HD12 LEU A 66 19.824 -17.824 -3.631 1.00 25.33 H new ATOM 0 HD13 LEU A 66 19.481 -16.730 -4.992 1.00 25.33 H new ATOM 0 HD21 LEU A 66 19.385 -18.946 -7.131 1.00 14.52 H new ATOM 0 HD22 LEU A 66 20.258 -17.409 -7.339 1.00 14.52 H new ATOM 0 HD23 LEU A 66 21.117 -18.955 -7.539 1.00 14.52 H new ATOM 1040 N GLU A 67 24.721 -16.676 -3.687 1.00 51.34 N ATOM 1041 CA GLU A 67 26.178 -16.615 -3.678 1.00 73.21 C ATOM 1042 C GLU A 67 26.742 -17.276 -2.423 1.00 53.33 C ATOM 1043 O GLU A 67 27.880 -17.745 -2.412 1.00 62.24 O ATOM 1044 CB GLU A 67 26.651 -15.162 -3.759 1.00 74.34 C ATOM 1045 CG GLU A 67 26.291 -14.336 -2.536 1.00 3.10 C ATOM 1046 CD GLU A 67 26.962 -12.976 -2.533 1.00 52.11 C ATOM 1047 OE1 GLU A 67 27.219 -12.440 -3.631 1.00 42.24 O ATOM 1048 OE2 GLU A 67 27.229 -12.448 -1.434 1.00 4.13 O ATOM 0 H GLU A 67 24.260 -15.774 -3.566 1.00 51.34 H new ATOM 0 HA GLU A 67 26.544 -17.157 -4.550 1.00 73.21 H new ATOM 0 HB2 GLU A 67 27.733 -15.148 -3.891 1.00 74.34 H new ATOM 0 HB3 GLU A 67 26.216 -14.696 -4.643 1.00 74.34 H new ATOM 0 HG2 GLU A 67 25.210 -14.204 -2.497 1.00 3.10 H new ATOM 0 HG3 GLU A 67 26.578 -14.881 -1.637 1.00 3.10 H new ATOM 1055 N THR A 68 25.937 -17.308 -1.366 1.00 13.22 N ATOM 1056 CA THR A 68 26.354 -17.908 -0.105 1.00 64.32 C ATOM 1057 C THR A 68 25.547 -19.164 0.200 1.00 75.52 C ATOM 1058 O THR A 68 26.097 -20.179 0.628 1.00 70.13 O ATOM 1059 CB THR A 68 26.205 -16.918 1.065 1.00 35.55 C ATOM 1060 OG1 THR A 68 26.324 -17.613 2.312 1.00 13.42 O ATOM 1061 CG2 THR A 68 24.862 -16.205 1.003 1.00 63.24 C ATOM 0 H THR A 68 24.992 -16.925 -1.358 1.00 13.22 H new ATOM 0 HA THR A 68 27.406 -18.173 -0.214 1.00 64.32 H new ATOM 0 HB THR A 68 26.998 -16.174 0.986 1.00 35.55 H new ATOM 0 HG1 THR A 68 26.230 -16.977 3.051 1.00 13.42 H new ATOM 0 HG21 THR A 68 24.780 -15.511 1.839 1.00 63.24 H new ATOM 0 HG22 THR A 68 24.785 -15.654 0.066 1.00 63.24 H new ATOM 0 HG23 THR A 68 24.058 -16.938 1.060 1.00 63.24 H new ATOM 1069 N ARG A 69 24.239 -19.090 -0.024 1.00 34.13 N ATOM 1070 CA ARG A 69 23.355 -20.222 0.228 1.00 11.00 C ATOM 1071 C ARG A 69 22.969 -20.911 -1.077 1.00 62.55 C ATOM 1072 O ARG A 69 23.136 -20.351 -2.160 1.00 72.30 O ATOM 1073 CB ARG A 69 22.096 -19.760 0.964 1.00 1.33 C ATOM 1074 CG ARG A 69 22.378 -18.806 2.114 1.00 65.04 C ATOM 1075 CD ARG A 69 21.351 -18.954 3.225 1.00 3.32 C ATOM 1076 NE ARG A 69 21.375 -20.288 3.818 1.00 32.14 N ATOM 1077 CZ ARG A 69 20.698 -20.618 4.913 1.00 41.31 C ATOM 1078 NH1 ARG A 69 19.948 -19.715 5.530 1.00 45.10 N ATOM 1079 NH2 ARG A 69 20.770 -21.853 5.392 1.00 22.01 N ATOM 0 H ARG A 69 23.768 -18.258 -0.379 1.00 34.13 H new ATOM 0 HA ARG A 69 23.891 -20.937 0.852 1.00 11.00 H new ATOM 0 HB2 ARG A 69 21.429 -19.272 0.254 1.00 1.33 H new ATOM 0 HB3 ARG A 69 21.569 -20.633 1.348 1.00 1.33 H new ATOM 0 HG2 ARG A 69 23.375 -18.997 2.511 1.00 65.04 H new ATOM 0 HG3 ARG A 69 22.373 -17.780 1.747 1.00 65.04 H new ATOM 0 HD2 ARG A 69 21.544 -18.210 3.998 1.00 3.32 H new ATOM 0 HD3 ARG A 69 20.356 -18.751 2.828 1.00 3.32 H new ATOM 0 HE ARG A 69 21.942 -21.006 3.367 1.00 32.14 H new ATOM 0 HH11 ARG A 69 19.890 -18.765 5.164 1.00 45.10 H new ATOM 0 HH12 ARG A 69 19.429 -19.971 6.370 1.00 45.10 H new ATOM 0 HH21 ARG A 69 21.345 -22.550 4.920 1.00 22.01 H new ATOM 0 HH22 ARG A 69 20.250 -22.105 6.232 1.00 22.01 H new ATOM 1093 N GLY A 70 22.453 -22.132 -0.966 1.00 40.24 N ATOM 1094 CA GLY A 70 22.053 -22.878 -2.145 1.00 14.11 C ATOM 1095 C GLY A 70 21.848 -24.352 -1.856 1.00 40.12 C ATOM 1096 O GLY A 70 20.715 -24.829 -1.803 1.00 33.44 O ATOM 0 H GLY A 70 22.305 -22.617 -0.081 1.00 40.24 H new ATOM 0 HA2 GLY A 70 21.129 -22.457 -2.542 1.00 14.11 H new ATOM 0 HA3 GLY A 70 22.813 -22.765 -2.918 1.00 14.11 H new ATOM 1100 N SER A 71 22.948 -25.075 -1.671 1.00 73.34 N ATOM 1101 CA SER A 71 22.884 -26.505 -1.392 1.00 61.12 C ATOM 1102 C SER A 71 24.276 -27.068 -1.119 1.00 53.24 C ATOM 1103 O SER A 71 25.294 -26.475 -1.477 1.00 70.21 O ATOM 1104 CB SER A 71 22.243 -27.247 -2.566 1.00 74.41 C ATOM 1105 OG SER A 71 22.320 -26.483 -3.757 1.00 10.34 O ATOM 0 H SER A 71 23.894 -24.694 -1.709 1.00 73.34 H new ATOM 0 HA SER A 71 22.271 -26.649 -0.502 1.00 61.12 H new ATOM 0 HB2 SER A 71 22.743 -28.204 -2.712 1.00 74.41 H new ATOM 0 HB3 SER A 71 21.200 -27.464 -2.337 1.00 74.41 H new ATOM 0 HG SER A 71 23.231 -26.140 -3.868 1.00 10.34 H new ATOM 1111 N PRO A 72 24.322 -28.240 -0.470 1.00 30.41 N ATOM 1112 CA PRO A 72 25.582 -28.910 -0.134 1.00 70.34 C ATOM 1113 C PRO A 72 26.296 -29.453 -1.367 1.00 70.54 C ATOM 1114 O PRO A 72 27.510 -29.660 -1.354 1.00 74.43 O ATOM 1115 CB PRO A 72 25.142 -30.058 0.778 1.00 75.25 C ATOM 1116 CG PRO A 72 23.729 -30.330 0.389 1.00 2.12 C ATOM 1117 CD PRO A 72 23.148 -29.003 -0.014 1.00 12.15 C ATOM 0 HA PRO A 72 26.295 -28.228 0.330 1.00 70.34 H new ATOM 0 HB2 PRO A 72 25.768 -30.939 0.636 1.00 75.25 H new ATOM 0 HB3 PRO A 72 25.217 -29.780 1.829 1.00 75.25 H new ATOM 0 HG2 PRO A 72 23.681 -31.043 -0.434 1.00 2.12 H new ATOM 0 HG3 PRO A 72 23.172 -30.764 1.220 1.00 2.12 H new ATOM 0 HD2 PRO A 72 22.408 -29.113 -0.806 1.00 12.15 H new ATOM 0 HD3 PRO A 72 22.650 -28.512 0.822 1.00 12.15 H new ATOM 1125 N LYS A 73 25.536 -29.682 -2.433 1.00 33.53 N ATOM 1126 CA LYS A 73 26.095 -30.200 -3.676 1.00 22.13 C ATOM 1127 C LYS A 73 26.246 -29.088 -4.709 1.00 71.41 C ATOM 1128 O LYS A 73 26.038 -29.305 -5.903 1.00 22.31 O ATOM 1129 CB LYS A 73 25.206 -31.313 -4.235 1.00 22.44 C ATOM 1130 CG LYS A 73 25.344 -32.632 -3.493 1.00 13.32 C ATOM 1131 CD LYS A 73 25.038 -33.814 -4.396 1.00 71.53 C ATOM 1132 CE LYS A 73 25.200 -35.135 -3.659 1.00 75.24 C ATOM 1133 NZ LYS A 73 24.191 -35.292 -2.575 1.00 60.41 N ATOM 0 H LYS A 73 24.530 -29.517 -2.461 1.00 33.53 H new ATOM 0 HA LYS A 73 27.082 -30.607 -3.459 1.00 22.13 H new ATOM 0 HB2 LYS A 73 24.166 -30.990 -4.195 1.00 22.44 H new ATOM 0 HB3 LYS A 73 25.451 -31.469 -5.286 1.00 22.44 H new ATOM 0 HG2 LYS A 73 26.357 -32.725 -3.100 1.00 13.32 H new ATOM 0 HG3 LYS A 73 24.668 -32.642 -2.638 1.00 13.32 H new ATOM 0 HD2 LYS A 73 24.019 -33.730 -4.775 1.00 71.53 H new ATOM 0 HD3 LYS A 73 25.702 -33.794 -5.260 1.00 71.53 H new ATOM 0 HE2 LYS A 73 25.105 -35.959 -4.366 1.00 75.24 H new ATOM 0 HE3 LYS A 73 26.202 -35.193 -3.234 1.00 75.24 H new ATOM 0 HZ1 LYS A 73 24.222 -36.265 -2.210 1.00 60.41 H new ATOM 0 HZ2 LYS A 73 24.403 -34.626 -1.804 1.00 60.41 H new ATOM 0 HZ3 LYS A 73 23.242 -35.094 -2.952 1.00 60.41 H new ATOM 1147 N SER A 74 26.610 -27.898 -4.242 1.00 74.15 N ATOM 1148 CA SER A 74 26.786 -26.752 -5.126 1.00 51.24 C ATOM 1149 C SER A 74 27.917 -25.855 -4.633 1.00 41.44 C ATOM 1150 O SER A 74 27.716 -24.668 -4.374 1.00 13.21 O ATOM 1151 CB SER A 74 25.487 -25.949 -5.220 1.00 50.13 C ATOM 1152 OG SER A 74 25.085 -25.478 -3.946 1.00 20.35 O ATOM 0 H SER A 74 26.789 -27.702 -3.257 1.00 74.15 H new ATOM 0 HA SER A 74 27.046 -27.125 -6.117 1.00 51.24 H new ATOM 0 HB2 SER A 74 25.626 -25.105 -5.896 1.00 50.13 H new ATOM 0 HB3 SER A 74 24.701 -26.572 -5.645 1.00 50.13 H new ATOM 0 HG SER A 74 25.250 -26.172 -3.274 1.00 20.35 H new ATOM 1158 N HIS A 75 29.108 -26.431 -4.507 1.00 4.34 N ATOM 1159 CA HIS A 75 30.273 -25.684 -4.045 1.00 64.12 C ATOM 1160 C HIS A 75 30.465 -24.414 -4.868 1.00 43.31 C ATOM 1161 O HIS A 75 30.883 -24.470 -6.025 1.00 5.50 O ATOM 1162 CB HIS A 75 31.528 -26.554 -4.128 1.00 3.40 C ATOM 1163 CG HIS A 75 31.584 -27.626 -3.084 1.00 12.01 C ATOM 1164 ND1 HIS A 75 30.955 -27.520 -1.861 1.00 53.55 N ATOM 1165 CD2 HIS A 75 32.197 -28.833 -3.086 1.00 4.52 C ATOM 1166 CE1 HIS A 75 31.180 -28.613 -1.156 1.00 24.31 C ATOM 1167 NE2 HIS A 75 31.932 -29.426 -1.876 1.00 73.45 N ATOM 0 H HIS A 75 29.292 -27.412 -4.718 1.00 4.34 H new ATOM 0 HA HIS A 75 30.104 -25.401 -3.006 1.00 64.12 H new ATOM 0 HB2 HIS A 75 31.575 -27.016 -5.114 1.00 3.40 H new ATOM 0 HB3 HIS A 75 32.408 -25.918 -4.031 1.00 3.40 H new ATOM 0 HD2 HIS A 75 32.785 -29.252 -3.889 1.00 4.52 H new ATOM 0 HE1 HIS A 75 30.812 -28.809 -0.160 1.00 24.31 H new ATOM 0 HE2 HIS A 75 32.262 -30.345 -1.581 1.00 73.45 H new ATOM 1175 N ILE A 76 30.156 -23.271 -4.264 1.00 64.12 N ATOM 1176 CA ILE A 76 30.295 -21.988 -4.941 1.00 44.14 C ATOM 1177 C ILE A 76 31.749 -21.527 -4.952 1.00 52.34 C ATOM 1178 O ILE A 76 32.119 -20.590 -4.244 1.00 60.13 O ATOM 1179 CB ILE A 76 29.429 -20.903 -4.275 1.00 3.24 C ATOM 1180 CG1 ILE A 76 27.992 -21.400 -4.104 1.00 25.15 C ATOM 1181 CG2 ILE A 76 29.458 -19.623 -5.097 1.00 3.15 C ATOM 1182 CD1 ILE A 76 27.095 -20.417 -3.385 1.00 75.50 C ATOM 0 H ILE A 76 29.808 -23.208 -3.307 1.00 64.12 H new ATOM 0 HA ILE A 76 29.955 -22.134 -5.966 1.00 44.14 H new ATOM 0 HB ILE A 76 29.839 -20.687 -3.288 1.00 3.24 H new ATOM 0 HG12 ILE A 76 27.570 -21.613 -5.086 1.00 25.15 H new ATOM 0 HG13 ILE A 76 28.004 -22.340 -3.552 1.00 25.15 H new ATOM 0 HG21 ILE A 76 28.841 -18.866 -4.613 1.00 3.15 H new ATOM 0 HG22 ILE A 76 30.484 -19.262 -5.172 1.00 3.15 H new ATOM 0 HG23 ILE A 76 29.070 -19.823 -6.096 1.00 3.15 H new ATOM 0 HD11 ILE A 76 26.092 -20.835 -3.299 1.00 75.50 H new ATOM 0 HD12 ILE A 76 27.493 -20.222 -2.389 1.00 75.50 H new ATOM 0 HD13 ILE A 76 27.053 -19.484 -3.948 1.00 75.50 H new ATOM 1194 N ASP A 77 32.568 -22.189 -5.762 1.00 33.43 N ATOM 1195 CA ASP A 77 33.981 -21.846 -5.868 1.00 0.11 C ATOM 1196 C ASP A 77 34.158 -20.441 -6.436 1.00 74.20 C ATOM 1197 O ASP A 77 35.155 -19.772 -6.167 1.00 43.30 O ATOM 1198 CB ASP A 77 34.710 -22.861 -6.749 1.00 73.35 C ATOM 1199 CG ASP A 77 34.948 -24.179 -6.039 1.00 20.21 C ATOM 1200 OD1 ASP A 77 34.620 -24.273 -4.838 1.00 34.10 O ATOM 1201 OD2 ASP A 77 35.464 -25.116 -6.684 1.00 31.44 O ATOM 0 H ASP A 77 32.277 -22.966 -6.355 1.00 33.43 H new ATOM 0 HA ASP A 77 34.411 -21.871 -4.867 1.00 0.11 H new ATOM 0 HB2 ASP A 77 34.127 -23.039 -7.652 1.00 73.35 H new ATOM 0 HB3 ASP A 77 35.666 -22.444 -7.064 1.00 73.35 H new ATOM 1206 N LYS A 78 33.183 -20.000 -7.224 1.00 60.42 N ATOM 1207 CA LYS A 78 33.229 -18.675 -7.831 1.00 62.51 C ATOM 1208 C LYS A 78 31.822 -18.135 -8.067 1.00 22.55 C ATOM 1209 O LYS A 78 31.052 -18.701 -8.842 1.00 42.34 O ATOM 1210 CB LYS A 78 33.996 -18.725 -9.154 1.00 42.45 C ATOM 1211 CG LYS A 78 34.662 -17.410 -9.521 1.00 1.52 C ATOM 1212 CD LYS A 78 33.637 -16.344 -9.873 1.00 21.52 C ATOM 1213 CE LYS A 78 34.248 -15.242 -10.724 1.00 65.21 C ATOM 1214 NZ LYS A 78 34.444 -15.675 -12.135 1.00 63.43 N ATOM 0 H LYS A 78 32.351 -20.542 -7.457 1.00 60.42 H new ATOM 0 HA LYS A 78 33.745 -18.005 -7.143 1.00 62.51 H new ATOM 0 HB2 LYS A 78 34.757 -19.504 -9.094 1.00 42.45 H new ATOM 0 HB3 LYS A 78 33.310 -19.010 -9.952 1.00 42.45 H new ATOM 0 HG2 LYS A 78 35.274 -17.066 -8.687 1.00 1.52 H new ATOM 0 HG3 LYS A 78 35.333 -17.564 -10.366 1.00 1.52 H new ATOM 0 HD2 LYS A 78 32.805 -16.801 -10.410 1.00 21.52 H new ATOM 0 HD3 LYS A 78 33.229 -15.914 -8.958 1.00 21.52 H new ATOM 0 HE2 LYS A 78 33.602 -14.364 -10.700 1.00 65.21 H new ATOM 0 HE3 LYS A 78 35.207 -14.944 -10.299 1.00 65.21 H new ATOM 0 HZ1 LYS A 78 34.701 -14.853 -12.718 1.00 63.43 H new ATOM 0 HZ2 LYS A 78 35.206 -16.382 -12.179 1.00 63.43 H new ATOM 0 HZ3 LYS A 78 33.563 -16.093 -12.495 1.00 63.43 H new ATOM 1228 N ALA A 79 31.494 -17.038 -7.393 1.00 2.21 N ATOM 1229 CA ALA A 79 30.181 -16.420 -7.532 1.00 3.01 C ATOM 1230 C ALA A 79 30.301 -14.981 -8.023 1.00 71.32 C ATOM 1231 O ALA A 79 31.231 -14.265 -7.656 1.00 24.53 O ATOM 1232 CB ALA A 79 29.433 -16.467 -6.208 1.00 30.20 C ATOM 0 H ALA A 79 32.119 -16.559 -6.745 1.00 2.21 H new ATOM 0 HA ALA A 79 29.618 -16.984 -8.275 1.00 3.01 H new ATOM 0 HB1 ALA A 79 28.454 -16.002 -6.326 1.00 30.20 H new ATOM 0 HB2 ALA A 79 29.307 -17.504 -5.898 1.00 30.20 H new ATOM 0 HB3 ALA A 79 30.001 -15.928 -5.450 1.00 30.20 H new ATOM 1238 N ASN A 80 29.353 -14.565 -8.857 1.00 1.24 N ATOM 1239 CA ASN A 80 29.353 -13.211 -9.399 1.00 65.24 C ATOM 1240 C ASN A 80 28.053 -12.923 -10.144 1.00 65.32 C ATOM 1241 O ASN A 80 27.352 -13.842 -10.568 1.00 52.11 O ATOM 1242 CB ASN A 80 30.546 -13.016 -10.338 1.00 20.11 C ATOM 1243 CG ASN A 80 30.821 -11.553 -10.626 1.00 45.13 C ATOM 1244 OD1 ASN A 80 30.342 -11.003 -11.618 1.00 31.20 O ATOM 1245 ND2 ASN A 80 31.598 -10.915 -9.758 1.00 51.02 N ATOM 0 H ASN A 80 28.576 -15.146 -9.172 1.00 1.24 H new ATOM 0 HA ASN A 80 29.436 -12.513 -8.566 1.00 65.24 H new ATOM 0 HB2 ASN A 80 31.432 -13.469 -9.894 1.00 20.11 H new ATOM 0 HB3 ASN A 80 30.356 -13.539 -11.275 1.00 20.11 H new ATOM 0 HD21 ASN A 80 31.819 -9.929 -9.900 1.00 51.02 H new ATOM 0 HD22 ASN A 80 31.973 -11.411 -8.949 1.00 51.02 H new ATOM 1252 N PHE A 81 27.739 -11.642 -10.301 1.00 12.34 N ATOM 1253 CA PHE A 81 26.523 -11.232 -10.994 1.00 21.10 C ATOM 1254 C PHE A 81 26.833 -10.796 -12.423 1.00 12.30 C ATOM 1255 O PHE A 81 27.984 -10.821 -12.855 1.00 4.30 O ATOM 1256 CB PHE A 81 25.839 -10.092 -10.237 1.00 52.34 C ATOM 1257 CG PHE A 81 26.758 -8.948 -9.918 1.00 3.14 C ATOM 1258 CD1 PHE A 81 27.196 -8.093 -10.916 1.00 71.35 C ATOM 1259 CD2 PHE A 81 27.185 -8.728 -8.618 1.00 4.31 C ATOM 1260 CE1 PHE A 81 28.042 -7.039 -10.625 1.00 72.55 C ATOM 1261 CE2 PHE A 81 28.031 -7.675 -8.321 1.00 33.41 C ATOM 1262 CZ PHE A 81 28.460 -6.831 -9.326 1.00 65.10 C ATOM 0 H PHE A 81 28.310 -10.869 -9.958 1.00 12.34 H new ATOM 0 HA PHE A 81 25.849 -12.088 -11.032 1.00 21.10 H new ATOM 0 HB2 PHE A 81 25.004 -9.722 -10.831 1.00 52.34 H new ATOM 0 HB3 PHE A 81 25.422 -10.482 -9.309 1.00 52.34 H new ATOM 0 HD1 PHE A 81 26.873 -8.252 -11.934 1.00 71.35 H new ATOM 0 HD2 PHE A 81 26.854 -9.386 -7.828 1.00 4.31 H new ATOM 0 HE1 PHE A 81 28.375 -6.380 -11.413 1.00 72.55 H new ATOM 0 HE2 PHE A 81 28.356 -7.513 -7.304 1.00 33.41 H new ATOM 0 HZ PHE A 81 29.122 -6.009 -9.096 1.00 65.10 H new ATOM 1272 N ASN A 82 25.795 -10.397 -13.151 1.00 42.44 N ATOM 1273 CA ASN A 82 25.955 -9.956 -14.532 1.00 43.43 C ATOM 1274 C ASN A 82 25.709 -8.455 -14.656 1.00 42.02 C ATOM 1275 O ASN A 82 25.424 -7.779 -13.669 1.00 21.13 O ATOM 1276 CB ASN A 82 24.995 -10.718 -15.448 1.00 25.43 C ATOM 1277 CG ASN A 82 25.586 -10.973 -16.821 1.00 50.11 C ATOM 1278 OD1 ASN A 82 26.494 -11.789 -16.977 1.00 62.21 O ATOM 1279 ND2 ASN A 82 25.071 -10.273 -17.825 1.00 43.52 N ATOM 0 H ASN A 82 24.835 -10.370 -12.808 1.00 42.44 H new ATOM 0 HA ASN A 82 26.980 -10.165 -14.837 1.00 43.43 H new ATOM 0 HB2 ASN A 82 24.734 -11.670 -14.985 1.00 25.43 H new ATOM 0 HB3 ASN A 82 24.070 -10.151 -15.553 1.00 25.43 H new ATOM 0 HD21 ASN A 82 25.428 -10.401 -18.772 1.00 43.52 H new ATOM 0 HD22 ASN A 82 24.319 -9.607 -17.649 1.00 43.52 H new ATOM 1286 N ASN A 83 25.821 -7.941 -15.877 1.00 23.32 N ATOM 1287 CA ASN A 83 25.611 -6.521 -16.130 1.00 51.44 C ATOM 1288 C ASN A 83 24.159 -6.131 -15.871 1.00 11.23 C ATOM 1289 O ASN A 83 23.319 -6.195 -16.768 1.00 22.42 O ATOM 1290 CB ASN A 83 25.993 -6.176 -17.571 1.00 62.33 C ATOM 1291 CG ASN A 83 25.781 -4.709 -17.891 1.00 72.21 C ATOM 1292 OD1 ASN A 83 26.008 -3.840 -17.050 1.00 1.23 O ATOM 1293 ND2 ASN A 83 25.342 -4.428 -19.113 1.00 3.45 N ATOM 0 H ASN A 83 26.056 -8.487 -16.706 1.00 23.32 H new ATOM 0 HA ASN A 83 26.248 -5.958 -15.447 1.00 51.44 H new ATOM 0 HB2 ASN A 83 27.039 -6.434 -17.738 1.00 62.33 H new ATOM 0 HB3 ASN A 83 25.401 -6.783 -18.256 1.00 62.33 H new ATOM 0 HD21 ASN A 83 25.180 -3.459 -19.386 1.00 3.45 H new ATOM 0 HD22 ASN A 83 25.167 -5.181 -19.778 1.00 3.45 H new ATOM 1300 N GLU A 84 23.872 -5.726 -14.637 1.00 41.35 N ATOM 1301 CA GLU A 84 22.521 -5.326 -14.260 1.00 45.33 C ATOM 1302 C GLU A 84 21.971 -4.285 -15.231 1.00 3.41 C ATOM 1303 O GLU A 84 22.674 -3.354 -15.625 1.00 50.41 O ATOM 1304 CB GLU A 84 22.510 -4.767 -12.836 1.00 22.22 C ATOM 1305 CG GLU A 84 21.116 -4.621 -12.251 1.00 14.44 C ATOM 1306 CD GLU A 84 21.130 -4.455 -10.743 1.00 71.33 C ATOM 1307 OE1 GLU A 84 21.108 -5.482 -10.033 1.00 50.01 O ATOM 1308 OE2 GLU A 84 21.163 -3.298 -10.274 1.00 63.24 O ATOM 0 H GLU A 84 24.556 -5.666 -13.883 1.00 41.35 H new ATOM 0 HA GLU A 84 21.883 -6.209 -14.301 1.00 45.33 H new ATOM 0 HB2 GLU A 84 23.098 -5.422 -12.193 1.00 22.22 H new ATOM 0 HB3 GLU A 84 23.000 -3.793 -12.833 1.00 22.22 H new ATOM 0 HG2 GLU A 84 20.625 -3.759 -12.703 1.00 14.44 H new ATOM 0 HG3 GLU A 84 20.523 -5.498 -12.511 1.00 14.44 H new ATOM 1315 N LYS A 85 20.710 -4.449 -15.613 1.00 75.43 N ATOM 1316 CA LYS A 85 20.063 -3.525 -16.537 1.00 34.20 C ATOM 1317 C LYS A 85 18.579 -3.380 -16.212 1.00 4.13 C ATOM 1318 O LYS A 85 17.948 -4.313 -15.716 1.00 71.43 O ATOM 1319 CB LYS A 85 20.234 -4.009 -17.979 1.00 4.03 C ATOM 1320 CG LYS A 85 19.454 -3.190 -18.992 1.00 43.32 C ATOM 1321 CD LYS A 85 19.960 -1.758 -19.060 1.00 61.42 C ATOM 1322 CE LYS A 85 21.198 -1.646 -19.937 1.00 52.21 C ATOM 1323 NZ LYS A 85 21.977 -0.412 -19.641 1.00 2.05 N ATOM 0 H LYS A 85 20.114 -5.214 -15.297 1.00 75.43 H new ATOM 0 HA LYS A 85 20.538 -2.550 -16.428 1.00 34.20 H new ATOM 0 HB2 LYS A 85 21.292 -3.981 -18.239 1.00 4.03 H new ATOM 0 HB3 LYS A 85 19.917 -5.050 -18.044 1.00 4.03 H new ATOM 0 HG2 LYS A 85 19.535 -3.653 -19.976 1.00 43.32 H new ATOM 0 HG3 LYS A 85 18.397 -3.191 -18.726 1.00 43.32 H new ATOM 0 HD2 LYS A 85 19.175 -1.112 -19.453 1.00 61.42 H new ATOM 0 HD3 LYS A 85 20.191 -1.404 -18.055 1.00 61.42 H new ATOM 0 HE2 LYS A 85 21.831 -2.520 -19.785 1.00 52.21 H new ATOM 0 HE3 LYS A 85 20.901 -1.645 -20.986 1.00 52.21 H new ATOM 0 HZ1 LYS A 85 22.813 -0.372 -20.259 1.00 2.05 H new ATOM 0 HZ2 LYS A 85 21.381 0.424 -19.810 1.00 2.05 H new ATOM 0 HZ3 LYS A 85 22.282 -0.424 -18.647 1.00 2.05 H new ATOM 1337 N VAL A 86 18.028 -2.204 -16.495 1.00 5.22 N ATOM 1338 CA VAL A 86 16.619 -1.937 -16.235 1.00 32.53 C ATOM 1339 C VAL A 86 15.761 -2.284 -17.447 1.00 23.44 C ATOM 1340 O VAL A 86 16.184 -2.108 -18.590 1.00 21.34 O ATOM 1341 CB VAL A 86 16.386 -0.462 -15.861 1.00 1.44 C ATOM 1342 CG1 VAL A 86 16.955 0.457 -16.931 1.00 64.00 C ATOM 1343 CG2 VAL A 86 14.904 -0.193 -15.649 1.00 73.34 C ATOM 0 H VAL A 86 18.537 -1.421 -16.905 1.00 5.22 H new ATOM 0 HA VAL A 86 16.328 -2.567 -15.394 1.00 32.53 H new ATOM 0 HB VAL A 86 16.906 -0.257 -14.925 1.00 1.44 H new ATOM 0 HG11 VAL A 86 16.781 1.495 -16.649 1.00 64.00 H new ATOM 0 HG12 VAL A 86 18.027 0.282 -17.028 1.00 64.00 H new ATOM 0 HG13 VAL A 86 16.466 0.253 -17.884 1.00 64.00 H new ATOM 0 HG21 VAL A 86 14.758 0.855 -15.385 1.00 73.34 H new ATOM 0 HG22 VAL A 86 14.359 -0.415 -16.566 1.00 73.34 H new ATOM 0 HG23 VAL A 86 14.531 -0.825 -14.843 1.00 73.34 H new ATOM 1353 N ILE A 87 14.555 -2.778 -17.189 1.00 13.31 N ATOM 1354 CA ILE A 87 13.637 -3.148 -18.259 1.00 12.20 C ATOM 1355 C ILE A 87 12.231 -2.625 -17.983 1.00 22.12 C ATOM 1356 O ILE A 87 11.960 -2.075 -16.915 1.00 21.25 O ATOM 1357 CB ILE A 87 13.577 -4.675 -18.446 1.00 32.41 C ATOM 1358 CG1 ILE A 87 13.745 -5.383 -17.100 1.00 14.13 C ATOM 1359 CG2 ILE A 87 14.646 -5.131 -19.427 1.00 25.30 C ATOM 1360 CD1 ILE A 87 12.709 -4.981 -16.073 1.00 31.41 C ATOM 0 H ILE A 87 14.191 -2.931 -16.249 1.00 13.31 H new ATOM 0 HA ILE A 87 14.018 -2.693 -19.173 1.00 12.20 H new ATOM 0 HB ILE A 87 12.601 -4.938 -18.854 1.00 32.41 H new ATOM 0 HG12 ILE A 87 13.691 -6.460 -17.256 1.00 14.13 H new ATOM 0 HG13 ILE A 87 14.738 -5.167 -16.706 1.00 14.13 H new ATOM 0 HG21 ILE A 87 14.591 -6.213 -19.549 1.00 25.30 H new ATOM 0 HG22 ILE A 87 14.485 -4.649 -20.391 1.00 25.30 H new ATOM 0 HG23 ILE A 87 15.630 -4.859 -19.045 1.00 25.30 H new ATOM 0 HD11 ILE A 87 12.889 -5.522 -15.144 1.00 31.41 H new ATOM 0 HD12 ILE A 87 12.777 -3.909 -15.888 1.00 31.41 H new ATOM 0 HD13 ILE A 87 11.714 -5.222 -16.446 1.00 31.41 H new ATOM 1372 N LEU A 88 11.340 -2.802 -18.952 1.00 14.44 N ATOM 1373 CA LEU A 88 9.959 -2.350 -18.813 1.00 5.51 C ATOM 1374 C LEU A 88 9.236 -3.135 -17.723 1.00 42.44 C ATOM 1375 O LEU A 88 8.849 -2.579 -16.695 1.00 53.34 O ATOM 1376 CB LEU A 88 9.217 -2.498 -20.142 1.00 45.24 C ATOM 1377 CG LEU A 88 9.697 -1.599 -21.283 1.00 10.14 C ATOM 1378 CD1 LEU A 88 8.820 -1.782 -22.511 1.00 51.24 C ATOM 1379 CD2 LEU A 88 9.707 -0.142 -20.845 1.00 2.45 C ATOM 0 H LEU A 88 11.548 -3.255 -19.842 1.00 14.44 H new ATOM 0 HA LEU A 88 9.974 -1.298 -18.528 1.00 5.51 H new ATOM 0 HB2 LEU A 88 9.296 -3.536 -20.466 1.00 45.24 H new ATOM 0 HB3 LEU A 88 8.160 -2.298 -19.969 1.00 45.24 H new ATOM 0 HG LEU A 88 10.716 -1.887 -21.543 1.00 10.14 H new ATOM 0 HD11 LEU A 88 9.176 -1.135 -23.312 1.00 51.24 H new ATOM 0 HD12 LEU A 88 8.863 -2.821 -22.837 1.00 51.24 H new ATOM 0 HD13 LEU A 88 7.791 -1.522 -22.265 1.00 51.24 H new ATOM 0 HD21 LEU A 88 10.051 0.483 -21.669 1.00 2.45 H new ATOM 0 HD22 LEU A 88 8.699 0.158 -20.558 1.00 2.45 H new ATOM 0 HD23 LEU A 88 10.378 -0.022 -19.994 1.00 2.45 H new ATOM 1391 N LYS A 89 9.059 -4.431 -17.954 1.00 70.03 N ATOM 1392 CA LYS A 89 8.386 -5.295 -16.992 1.00 34.01 C ATOM 1393 C LYS A 89 8.904 -6.726 -17.090 1.00 75.41 C ATOM 1394 O LYS A 89 9.795 -7.022 -17.887 1.00 52.45 O ATOM 1395 CB LYS A 89 6.873 -5.271 -17.225 1.00 63.51 C ATOM 1396 CG LYS A 89 6.473 -5.601 -18.653 1.00 32.23 C ATOM 1397 CD LYS A 89 5.006 -5.295 -18.905 1.00 70.51 C ATOM 1398 CE LYS A 89 4.105 -6.387 -18.347 1.00 2.51 C ATOM 1399 NZ LYS A 89 2.741 -5.876 -18.039 1.00 54.23 N ATOM 0 H LYS A 89 9.373 -4.907 -18.800 1.00 70.03 H new ATOM 0 HA LYS A 89 8.599 -4.918 -15.992 1.00 34.01 H new ATOM 0 HB2 LYS A 89 6.398 -5.983 -16.550 1.00 63.51 H new ATOM 0 HB3 LYS A 89 6.490 -4.284 -16.968 1.00 63.51 H new ATOM 0 HG2 LYS A 89 7.089 -5.029 -19.346 1.00 32.23 H new ATOM 0 HG3 LYS A 89 6.665 -6.655 -18.851 1.00 32.23 H new ATOM 0 HD2 LYS A 89 4.749 -4.340 -18.447 1.00 70.51 H new ATOM 0 HD3 LYS A 89 4.834 -5.192 -19.976 1.00 70.51 H new ATOM 0 HE2 LYS A 89 4.034 -7.202 -19.067 1.00 2.51 H new ATOM 0 HE3 LYS A 89 4.551 -6.799 -17.442 1.00 2.51 H new ATOM 0 HZ1 LYS A 89 2.158 -6.650 -17.661 1.00 54.23 H new ATOM 0 HZ2 LYS A 89 2.807 -5.115 -17.333 1.00 54.23 H new ATOM 0 HZ3 LYS A 89 2.305 -5.506 -18.907 1.00 54.23 H new ATOM 1413 N LEU A 90 8.339 -7.612 -16.277 1.00 2.15 N ATOM 1414 CA LEU A 90 8.743 -9.014 -16.273 1.00 1.31 C ATOM 1415 C LEU A 90 8.508 -9.652 -17.638 1.00 40.44 C ATOM 1416 O LEU A 90 7.780 -9.110 -18.471 1.00 5.22 O ATOM 1417 CB LEU A 90 7.974 -9.784 -15.198 1.00 54.23 C ATOM 1418 CG LEU A 90 8.039 -9.208 -13.783 1.00 55.45 C ATOM 1419 CD1 LEU A 90 6.851 -9.680 -12.960 1.00 31.44 C ATOM 1420 CD2 LEU A 90 9.346 -9.596 -13.109 1.00 43.40 C ATOM 0 H LEU A 90 7.600 -7.384 -15.612 1.00 2.15 H new ATOM 0 HA LEU A 90 9.809 -9.059 -16.050 1.00 1.31 H new ATOM 0 HB2 LEU A 90 6.928 -9.840 -15.498 1.00 54.23 H new ATOM 0 HB3 LEU A 90 8.353 -10.806 -15.170 1.00 54.23 H new ATOM 0 HG LEU A 90 7.998 -8.121 -13.851 1.00 55.45 H new ATOM 0 HD11 LEU A 90 6.914 -9.260 -11.956 1.00 31.44 H new ATOM 0 HD12 LEU A 90 5.926 -9.350 -13.434 1.00 31.44 H new ATOM 0 HD13 LEU A 90 6.860 -10.768 -12.899 1.00 31.44 H new ATOM 0 HD21 LEU A 90 9.375 -9.177 -12.103 1.00 43.40 H new ATOM 0 HD22 LEU A 90 9.418 -10.682 -13.052 1.00 43.40 H new ATOM 0 HD23 LEU A 90 10.183 -9.207 -13.688 1.00 43.40 H new ATOM 1432 N ASP A 91 9.127 -10.806 -17.861 1.00 13.14 N ATOM 1433 CA ASP A 91 8.982 -11.520 -19.124 1.00 5.01 C ATOM 1434 C ASP A 91 8.253 -12.844 -18.919 1.00 65.34 C ATOM 1435 O ASP A 91 7.610 -13.358 -19.835 1.00 30.12 O ATOM 1436 CB ASP A 91 10.354 -11.770 -19.752 1.00 62.34 C ATOM 1437 CG ASP A 91 11.165 -10.498 -19.898 1.00 42.21 C ATOM 1438 OD1 ASP A 91 10.584 -9.403 -19.746 1.00 33.41 O ATOM 1439 OD2 ASP A 91 12.381 -10.596 -20.165 1.00 64.24 O ATOM 0 H ASP A 91 9.734 -11.267 -17.183 1.00 13.14 H new ATOM 0 HA ASP A 91 8.390 -10.901 -19.798 1.00 5.01 H new ATOM 0 HB2 ASP A 91 10.907 -12.481 -19.138 1.00 62.34 H new ATOM 0 HB3 ASP A 91 10.223 -12.229 -20.732 1.00 62.34 H new ATOM 1444 N TYR A 92 8.360 -13.392 -17.714 1.00 32.10 N ATOM 1445 CA TYR A 92 7.714 -14.658 -17.390 1.00 73.53 C ATOM 1446 C TYR A 92 6.462 -14.432 -16.548 1.00 51.12 C ATOM 1447 O TYR A 92 6.272 -13.360 -15.975 1.00 13.54 O ATOM 1448 CB TYR A 92 8.685 -15.574 -16.644 1.00 21.42 C ATOM 1449 CG TYR A 92 9.508 -16.456 -17.556 1.00 32.33 C ATOM 1450 CD1 TYR A 92 10.074 -15.950 -18.719 1.00 23.11 C ATOM 1451 CD2 TYR A 92 9.719 -17.796 -17.253 1.00 43.03 C ATOM 1452 CE1 TYR A 92 10.826 -16.753 -19.555 1.00 51.42 C ATOM 1453 CE2 TYR A 92 10.471 -18.606 -18.083 1.00 52.40 C ATOM 1454 CZ TYR A 92 11.022 -18.079 -19.233 1.00 35.40 C ATOM 1455 OH TYR A 92 11.771 -18.882 -20.063 1.00 12.33 O ATOM 0 H TYR A 92 8.888 -12.979 -16.945 1.00 32.10 H new ATOM 0 HA TYR A 92 7.420 -15.135 -18.325 1.00 73.53 H new ATOM 0 HB2 TYR A 92 9.356 -14.963 -16.040 1.00 21.42 H new ATOM 0 HB3 TYR A 92 8.121 -16.203 -15.956 1.00 21.42 H new ATOM 0 HD1 TYR A 92 9.924 -14.911 -18.974 1.00 23.11 H new ATOM 0 HD2 TYR A 92 9.288 -18.211 -16.354 1.00 43.03 H new ATOM 0 HE1 TYR A 92 11.258 -16.344 -20.456 1.00 51.42 H new ATOM 0 HE2 TYR A 92 10.626 -19.645 -17.833 1.00 52.40 H new ATOM 0 HH TYR A 92 11.813 -19.788 -19.691 1.00 12.33 H new ATOM 1465 N SER A 93 5.611 -15.451 -16.479 1.00 0.33 N ATOM 1466 CA SER A 93 4.375 -15.363 -15.710 1.00 21.32 C ATOM 1467 C SER A 93 4.526 -16.055 -14.358 1.00 42.41 C ATOM 1468 O SER A 93 3.850 -15.705 -13.391 1.00 11.04 O ATOM 1469 CB SER A 93 3.219 -15.991 -16.490 1.00 73.31 C ATOM 1470 OG SER A 93 2.022 -15.972 -15.732 1.00 13.32 O ATOM 0 H SER A 93 5.755 -16.346 -16.946 1.00 0.33 H new ATOM 0 HA SER A 93 4.158 -14.309 -15.537 1.00 21.32 H new ATOM 0 HB2 SER A 93 3.070 -15.450 -17.424 1.00 73.31 H new ATOM 0 HB3 SER A 93 3.470 -17.018 -16.754 1.00 73.31 H new ATOM 0 HG SER A 93 1.298 -16.378 -16.253 1.00 13.32 H new ATOM 1476 N ASP A 94 5.418 -17.037 -14.300 1.00 60.51 N ATOM 1477 CA ASP A 94 5.660 -17.778 -13.068 1.00 21.54 C ATOM 1478 C ASP A 94 6.979 -18.541 -13.142 1.00 4.30 C ATOM 1479 O ASP A 94 7.471 -18.846 -14.228 1.00 64.34 O ATOM 1480 CB ASP A 94 4.510 -18.750 -12.797 1.00 41.12 C ATOM 1481 CG ASP A 94 4.332 -19.761 -13.913 1.00 20.15 C ATOM 1482 OD1 ASP A 94 3.750 -19.398 -14.956 1.00 52.31 O ATOM 1483 OD2 ASP A 94 4.776 -20.916 -13.742 1.00 53.23 O ATOM 0 H ASP A 94 5.986 -17.339 -15.092 1.00 60.51 H new ATOM 0 HA ASP A 94 5.721 -17.061 -12.249 1.00 21.54 H new ATOM 0 HB2 ASP A 94 4.695 -19.276 -11.860 1.00 41.12 H new ATOM 0 HB3 ASP A 94 3.585 -18.188 -12.669 1.00 41.12 H new ATOM 1488 N PHE A 95 7.548 -18.844 -11.980 1.00 0.12 N ATOM 1489 CA PHE A 95 8.812 -19.569 -11.913 1.00 13.40 C ATOM 1490 C PHE A 95 8.749 -20.849 -12.741 1.00 11.22 C ATOM 1491 O PHE A 95 7.777 -21.601 -12.666 1.00 44.42 O ATOM 1492 CB PHE A 95 9.156 -19.904 -10.460 1.00 53.42 C ATOM 1493 CG PHE A 95 8.066 -20.648 -9.743 1.00 2.15 C ATOM 1494 CD1 PHE A 95 7.997 -22.030 -9.804 1.00 20.40 C ATOM 1495 CD2 PHE A 95 7.112 -19.965 -9.006 1.00 73.20 C ATOM 1496 CE1 PHE A 95 6.995 -22.717 -9.145 1.00 61.52 C ATOM 1497 CE2 PHE A 95 6.108 -20.647 -8.345 1.00 15.03 C ATOM 1498 CZ PHE A 95 6.050 -22.025 -8.414 1.00 31.14 C ATOM 0 H PHE A 95 7.154 -18.599 -11.072 1.00 0.12 H new ATOM 0 HA PHE A 95 9.592 -18.929 -12.325 1.00 13.40 H new ATOM 0 HB2 PHE A 95 10.067 -20.501 -10.439 1.00 53.42 H new ATOM 0 HB3 PHE A 95 9.368 -18.980 -9.923 1.00 53.42 H new ATOM 0 HD1 PHE A 95 8.734 -22.577 -10.373 1.00 20.40 H new ATOM 0 HD2 PHE A 95 7.153 -18.887 -8.947 1.00 73.20 H new ATOM 0 HE1 PHE A 95 6.951 -23.795 -9.202 1.00 61.52 H new ATOM 0 HE2 PHE A 95 5.370 -20.103 -7.775 1.00 15.03 H new ATOM 0 HZ PHE A 95 5.267 -22.560 -7.897 1.00 31.14 H new ATOM 1508 N GLN A 96 9.792 -21.088 -13.529 1.00 73.42 N ATOM 1509 CA GLN A 96 9.855 -22.277 -14.372 1.00 54.50 C ATOM 1510 C GLN A 96 11.301 -22.649 -14.681 1.00 31.34 C ATOM 1511 O GLN A 96 12.156 -21.778 -14.841 1.00 53.42 O ATOM 1512 CB GLN A 96 9.086 -22.045 -15.674 1.00 62.13 C ATOM 1513 CG GLN A 96 7.614 -22.414 -15.586 1.00 62.41 C ATOM 1514 CD GLN A 96 7.398 -23.846 -15.137 1.00 13.14 C ATOM 1515 OE1 GLN A 96 8.231 -24.718 -15.381 1.00 64.52 O ATOM 1516 NE2 GLN A 96 6.274 -24.095 -14.475 1.00 32.33 N ATOM 0 H GLN A 96 10.604 -20.475 -13.602 1.00 73.42 H new ATOM 0 HA GLN A 96 9.395 -23.102 -13.828 1.00 54.50 H new ATOM 0 HB2 GLN A 96 9.173 -20.995 -15.955 1.00 62.13 H new ATOM 0 HB3 GLN A 96 9.551 -22.627 -16.469 1.00 62.13 H new ATOM 0 HG2 GLN A 96 7.115 -21.740 -14.890 1.00 62.41 H new ATOM 0 HG3 GLN A 96 7.148 -22.268 -16.560 1.00 62.41 H new ATOM 0 HE21 GLN A 96 5.611 -23.341 -14.295 1.00 32.33 H new ATOM 0 HE22 GLN A 96 6.074 -25.040 -14.147 1.00 32.33 H new ATOM 1525 N ILE A 97 11.567 -23.948 -14.761 1.00 65.44 N ATOM 1526 CA ILE A 97 12.910 -24.436 -15.051 1.00 43.43 C ATOM 1527 C ILE A 97 13.092 -24.693 -16.543 1.00 54.34 C ATOM 1528 O ILE A 97 12.161 -25.115 -17.229 1.00 74.13 O ATOM 1529 CB ILE A 97 13.219 -25.731 -14.277 1.00 75.05 C ATOM 1530 CG1 ILE A 97 12.965 -25.530 -12.782 1.00 73.20 C ATOM 1531 CG2 ILE A 97 14.656 -26.165 -14.523 1.00 32.23 C ATOM 1532 CD1 ILE A 97 13.058 -26.807 -11.976 1.00 64.15 C ATOM 0 H ILE A 97 10.871 -24.682 -14.629 1.00 65.44 H new ATOM 0 HA ILE A 97 13.603 -23.658 -14.732 1.00 43.43 H new ATOM 0 HB ILE A 97 12.556 -26.519 -14.636 1.00 75.05 H new ATOM 0 HG12 ILE A 97 13.686 -24.811 -12.393 1.00 73.20 H new ATOM 0 HG13 ILE A 97 11.975 -25.095 -12.645 1.00 73.20 H new ATOM 0 HG21 ILE A 97 14.859 -27.082 -13.969 1.00 32.23 H new ATOM 0 HG22 ILE A 97 14.805 -26.344 -15.588 1.00 32.23 H new ATOM 0 HG23 ILE A 97 15.335 -25.381 -14.188 1.00 32.23 H new ATOM 0 HD11 ILE A 97 12.867 -26.589 -10.925 1.00 64.15 H new ATOM 0 HD12 ILE A 97 12.319 -27.521 -12.339 1.00 64.15 H new ATOM 0 HD13 ILE A 97 14.056 -27.233 -12.082 1.00 64.15 H new ATOM 1544 N VAL A 98 14.298 -24.437 -17.040 1.00 54.43 N ATOM 1545 CA VAL A 98 14.603 -24.643 -18.451 1.00 11.00 C ATOM 1546 C VAL A 98 15.796 -25.576 -18.624 1.00 42.23 C ATOM 1547 O VAL A 98 16.888 -25.305 -18.123 1.00 70.53 O ATOM 1548 CB VAL A 98 14.900 -23.309 -19.162 1.00 23.32 C ATOM 1549 CG1 VAL A 98 15.236 -23.548 -20.626 1.00 43.21 C ATOM 1550 CG2 VAL A 98 13.721 -22.359 -19.025 1.00 12.51 C ATOM 0 H VAL A 98 15.080 -24.087 -16.486 1.00 54.43 H new ATOM 0 HA VAL A 98 13.721 -25.098 -18.903 1.00 11.00 H new ATOM 0 HB VAL A 98 15.765 -22.848 -18.686 1.00 23.32 H new ATOM 0 HG11 VAL A 98 15.443 -22.595 -21.112 1.00 43.21 H new ATOM 0 HG12 VAL A 98 16.114 -24.190 -20.698 1.00 43.21 H new ATOM 0 HG13 VAL A 98 14.392 -24.031 -21.119 1.00 43.21 H new ATOM 0 HG21 VAL A 98 13.948 -21.422 -19.533 1.00 12.51 H new ATOM 0 HG22 VAL A 98 12.836 -22.810 -19.474 1.00 12.51 H new ATOM 0 HG23 VAL A 98 13.532 -22.163 -17.969 1.00 12.51 H new ATOM 1560 N LYS A 99 15.581 -26.676 -19.338 1.00 4.12 N ATOM 1561 CA LYS A 99 16.639 -27.650 -19.580 1.00 40.11 C ATOM 1562 C LYS A 99 17.445 -27.280 -20.821 1.00 24.20 C ATOM 1563 O LYS A 99 18.521 -27.829 -21.061 1.00 21.34 O ATOM 1564 CB LYS A 99 16.043 -29.050 -19.744 1.00 43.05 C ATOM 1565 CG LYS A 99 15.226 -29.508 -18.549 1.00 2.53 C ATOM 1566 CD LYS A 99 14.613 -30.878 -18.784 1.00 14.40 C ATOM 1567 CE LYS A 99 13.373 -30.790 -19.662 1.00 23.05 C ATOM 1568 NZ LYS A 99 12.814 -32.136 -19.968 1.00 3.13 N ATOM 0 H LYS A 99 14.683 -26.915 -19.759 1.00 4.12 H new ATOM 0 HA LYS A 99 17.308 -27.645 -18.719 1.00 40.11 H new ATOM 0 HB2 LYS A 99 15.411 -29.065 -20.632 1.00 43.05 H new ATOM 0 HB3 LYS A 99 16.851 -29.762 -19.915 1.00 43.05 H new ATOM 0 HG2 LYS A 99 15.861 -29.540 -17.664 1.00 2.53 H new ATOM 0 HG3 LYS A 99 14.436 -28.784 -18.349 1.00 2.53 H new ATOM 0 HD2 LYS A 99 15.348 -31.531 -19.255 1.00 14.40 H new ATOM 0 HD3 LYS A 99 14.352 -31.330 -17.827 1.00 14.40 H new ATOM 0 HE2 LYS A 99 12.615 -30.187 -19.161 1.00 23.05 H new ATOM 0 HE3 LYS A 99 13.622 -30.280 -20.593 1.00 23.05 H new ATOM 0 HZ1 LYS A 99 11.971 -32.033 -20.568 1.00 3.13 H new ATOM 0 HZ2 LYS A 99 13.528 -32.703 -20.468 1.00 3.13 H new ATOM 0 HZ3 LYS A 99 12.552 -32.613 -19.082 1.00 3.13 H new TER 1582 LYS A 99