USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 500 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 Single : A 1 GLY N :NH3+ -142:sc= 0 (180deg=-0.559) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -0.0034 X(o=-0.0034,f=0.24) USER MOD Single : A 19 THR OG1 : rot -124:sc= 0.154 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 33 TYR OH : rot 70:sc= -0.345 USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 54:sc= 0.00087 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= -0.146 K(o=-0.15,f=-1.5) USER MOD Single : A 47 GLN :FLIP amide:sc= -0.173 F(o=-0.97,f=-0.17) USER MOD Single : A 50 ASN :FLIP amide:sc=-0.00746 F(o=-1.3,f=-0.0075) USER MOD Single : A 52 HIS : no HD1:sc= -0.247 K(o=-0.25,f=-1.1) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 170:sc= -0.906 USER MOD Single : A 59 SER OG : rot -83:sc= 1.72 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 157:sc= 0.487 (180deg=0.239) USER MOD Single : A 65 SER OG : rot 62:sc= 0.129 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.330 0.000 0.000 1.00 13.00 N ATOM 2 CA GLY A 1 2.071 0.001 -1.247 1.00 45.03 C ATOM 3 C GLY A 1 1.972 -1.321 -1.982 1.00 53.13 C ATOM 4 O GLY A 1 2.910 -2.118 -2.000 1.00 73.20 O ATOM 0 H1 GLY A 1 0.881 0.928 0.138 1.00 13.00 H new ATOM 0 H2 GLY A 1 0.598 -0.738 -0.032 1.00 13.00 H new ATOM 0 H3 GLY A 1 1.979 -0.191 0.790 1.00 13.00 H new ATOM 0 HA2 GLY A 1 1.696 0.799 -1.888 1.00 45.03 H new ATOM 0 HA3 GLY A 1 3.119 0.222 -1.043 1.00 45.03 H new ATOM 8 N PRO A 2 0.810 -1.570 -2.606 1.00 3.34 N ATOM 9 CA PRO A 2 0.563 -2.804 -3.356 1.00 23.50 C ATOM 10 C PRO A 2 1.381 -2.875 -4.641 1.00 71.22 C ATOM 11 O PRO A 2 1.794 -3.954 -5.068 1.00 22.44 O ATOM 12 CB PRO A 2 -0.932 -2.732 -3.677 1.00 3.44 C ATOM 13 CG PRO A 2 -1.252 -1.277 -3.663 1.00 4.40 C ATOM 14 CD PRO A 2 -0.351 -0.664 -2.626 1.00 61.32 C ATOM 0 HA PRO A 2 0.848 -3.690 -2.788 1.00 23.50 H new ATOM 0 HB2 PRO A 2 -1.150 -3.176 -4.648 1.00 3.44 H new ATOM 0 HB3 PRO A 2 -1.522 -3.274 -2.938 1.00 3.44 H new ATOM 0 HG2 PRO A 2 -1.080 -0.830 -4.642 1.00 4.40 H new ATOM 0 HG3 PRO A 2 -2.301 -1.111 -3.416 1.00 4.40 H new ATOM 0 HD2 PRO A 2 -0.063 0.353 -2.894 1.00 61.32 H new ATOM 0 HD3 PRO A 2 -0.837 -0.611 -1.652 1.00 61.32 H new ATOM 22 N LEU A 3 1.611 -1.720 -5.254 1.00 44.44 N ATOM 23 CA LEU A 3 2.381 -1.650 -6.492 1.00 31.32 C ATOM 24 C LEU A 3 3.687 -0.891 -6.279 1.00 54.13 C ATOM 25 O LEU A 3 3.814 -0.105 -5.342 1.00 12.34 O ATOM 26 CB LEU A 3 1.558 -0.975 -7.590 1.00 71.13 C ATOM 27 CG LEU A 3 0.624 0.147 -7.135 1.00 70.04 C ATOM 28 CD1 LEU A 3 1.425 1.337 -6.632 1.00 44.52 C ATOM 29 CD2 LEU A 3 -0.300 0.565 -8.270 1.00 62.11 C ATOM 0 H LEU A 3 1.276 -0.818 -4.915 1.00 44.44 H new ATOM 0 HA LEU A 3 2.620 -2.668 -6.800 1.00 31.32 H new ATOM 0 HB2 LEU A 3 2.244 -0.570 -8.334 1.00 71.13 H new ATOM 0 HB3 LEU A 3 0.961 -1.738 -8.089 1.00 71.13 H new ATOM 0 HG LEU A 3 0.012 -0.226 -6.314 1.00 70.04 H new ATOM 0 HD11 LEU A 3 0.744 2.125 -6.313 1.00 44.52 H new ATOM 0 HD12 LEU A 3 2.044 1.029 -5.789 1.00 44.52 H new ATOM 0 HD13 LEU A 3 2.063 1.711 -7.433 1.00 44.52 H new ATOM 0 HD21 LEU A 3 -0.958 1.364 -7.928 1.00 62.11 H new ATOM 0 HD22 LEU A 3 0.295 0.920 -9.112 1.00 62.11 H new ATOM 0 HD23 LEU A 3 -0.900 -0.289 -8.584 1.00 62.11 H new ATOM 41 N GLY A 4 4.655 -1.130 -7.159 1.00 33.42 N ATOM 42 CA GLY A 4 5.937 -0.460 -7.051 1.00 42.12 C ATOM 43 C GLY A 4 6.185 0.504 -8.194 1.00 42.05 C ATOM 44 O GLY A 4 5.243 1.016 -8.799 1.00 1.31 O ATOM 0 H GLY A 4 4.574 -1.776 -7.944 1.00 33.42 H new ATOM 0 HA2 GLY A 4 5.982 0.082 -6.106 1.00 42.12 H new ATOM 0 HA3 GLY A 4 6.732 -1.205 -7.029 1.00 42.12 H new ATOM 48 N SER A 5 7.457 0.753 -8.491 1.00 53.41 N ATOM 49 CA SER A 5 7.826 1.667 -9.566 1.00 31.00 C ATOM 50 C SER A 5 8.563 0.927 -10.679 1.00 14.34 C ATOM 51 O SER A 5 9.092 -0.167 -10.486 1.00 60.54 O ATOM 52 CB SER A 5 8.701 2.799 -9.024 1.00 21.30 C ATOM 53 OG SER A 5 7.910 3.886 -8.577 1.00 31.11 O ATOM 0 H SER A 5 8.249 0.335 -8.002 1.00 53.41 H new ATOM 0 HA SER A 5 6.911 2.091 -9.979 1.00 31.00 H new ATOM 0 HB2 SER A 5 9.313 2.428 -8.202 1.00 21.30 H new ATOM 0 HB3 SER A 5 9.385 3.139 -9.802 1.00 21.30 H new ATOM 0 HG SER A 5 8.493 4.595 -8.234 1.00 31.11 H new ATOM 59 N PRO A 6 8.598 1.539 -11.872 1.00 30.22 N ATOM 60 CA PRO A 6 9.267 0.958 -13.040 1.00 31.44 C ATOM 61 C PRO A 6 10.784 0.945 -12.892 1.00 25.35 C ATOM 62 O PRO A 6 11.473 0.158 -13.541 1.00 3.43 O ATOM 63 CB PRO A 6 8.849 1.883 -14.185 1.00 2.42 C ATOM 64 CG PRO A 6 8.545 3.185 -13.528 1.00 15.23 C ATOM 65 CD PRO A 6 7.988 2.845 -12.173 1.00 21.12 C ATOM 0 HA PRO A 6 8.988 -0.084 -13.193 1.00 31.44 H new ATOM 0 HB2 PRO A 6 9.646 1.987 -14.921 1.00 2.42 H new ATOM 0 HB3 PRO A 6 7.978 1.492 -14.712 1.00 2.42 H new ATOM 0 HG2 PRO A 6 9.443 3.796 -13.439 1.00 15.23 H new ATOM 0 HG3 PRO A 6 7.826 3.759 -14.113 1.00 15.23 H new ATOM 0 HD2 PRO A 6 8.256 3.595 -11.429 1.00 21.12 H new ATOM 0 HD3 PRO A 6 6.900 2.786 -12.189 1.00 21.12 H new ATOM 73 N GLU A 7 11.298 1.820 -12.033 1.00 43.22 N ATOM 74 CA GLU A 7 12.735 1.908 -11.801 1.00 42.32 C ATOM 75 C GLU A 7 13.050 1.851 -10.309 1.00 61.32 C ATOM 76 O GLU A 7 12.850 2.825 -9.585 1.00 2.13 O ATOM 77 CB GLU A 7 13.293 3.200 -12.402 1.00 11.42 C ATOM 78 CG GLU A 7 13.645 3.084 -13.875 1.00 41.33 C ATOM 79 CD GLU A 7 14.618 1.955 -14.155 1.00 52.24 C ATOM 80 OE1 GLU A 7 15.841 2.192 -14.070 1.00 41.12 O ATOM 81 OE2 GLU A 7 14.156 0.836 -14.460 1.00 24.42 O ATOM 0 H GLU A 7 10.741 2.477 -11.487 1.00 43.22 H new ATOM 0 HA GLU A 7 13.208 1.055 -12.288 1.00 42.32 H new ATOM 0 HB2 GLU A 7 12.560 3.996 -12.274 1.00 11.42 H new ATOM 0 HB3 GLU A 7 14.183 3.494 -11.846 1.00 11.42 H new ATOM 0 HG2 GLU A 7 12.734 2.924 -14.451 1.00 41.33 H new ATOM 0 HG3 GLU A 7 14.077 4.024 -14.217 1.00 41.33 H new ATOM 88 N GLU A 8 13.543 0.701 -9.858 1.00 51.42 N ATOM 89 CA GLU A 8 13.884 0.516 -8.453 1.00 12.45 C ATOM 90 C GLU A 8 15.374 0.746 -8.219 1.00 63.24 C ATOM 91 O GLU A 8 15.981 0.124 -7.347 1.00 5.55 O ATOM 92 CB GLU A 8 13.495 -0.890 -7.991 1.00 52.32 C ATOM 93 CG GLU A 8 14.177 -1.998 -8.775 1.00 62.13 C ATOM 94 CD GLU A 8 13.706 -3.379 -8.364 1.00 31.35 C ATOM 95 OE1 GLU A 8 12.577 -3.757 -8.742 1.00 22.44 O ATOM 96 OE2 GLU A 8 14.465 -4.082 -7.664 1.00 12.44 O ATOM 0 H GLU A 8 13.715 -0.115 -10.445 1.00 51.42 H new ATOM 0 HA GLU A 8 13.325 1.249 -7.871 1.00 12.45 H new ATOM 0 HB2 GLU A 8 13.743 -0.998 -6.935 1.00 52.32 H new ATOM 0 HB3 GLU A 8 12.415 -1.006 -8.078 1.00 52.32 H new ATOM 0 HG2 GLU A 8 13.987 -1.855 -9.839 1.00 62.13 H new ATOM 0 HG3 GLU A 8 15.255 -1.929 -8.632 1.00 62.13 H new ATOM 103 N THR A 9 15.959 1.643 -9.007 1.00 64.12 N ATOM 104 CA THR A 9 17.378 1.954 -8.889 1.00 3.00 C ATOM 105 C THR A 9 17.592 3.286 -8.180 1.00 52.50 C ATOM 106 O THR A 9 16.753 4.184 -8.258 1.00 11.20 O ATOM 107 CB THR A 9 18.059 2.005 -10.270 1.00 1.22 C ATOM 108 OG1 THR A 9 17.748 0.822 -11.014 1.00 21.25 O ATOM 109 CG2 THR A 9 19.568 2.137 -10.125 1.00 14.42 C ATOM 0 H THR A 9 15.472 2.167 -9.734 1.00 64.12 H new ATOM 0 HA THR A 9 17.828 1.155 -8.299 1.00 3.00 H new ATOM 0 HB THR A 9 17.683 2.878 -10.803 1.00 1.22 H new ATOM 0 HG1 THR A 9 18.183 0.863 -11.891 1.00 21.25 H new ATOM 0 HG21 THR A 9 20.027 2.171 -11.113 1.00 14.42 H new ATOM 0 HG22 THR A 9 19.803 3.054 -9.584 1.00 14.42 H new ATOM 0 HG23 THR A 9 19.957 1.281 -9.574 1.00 14.42 H new ATOM 117 N VAL A 10 18.720 3.410 -7.489 1.00 24.55 N ATOM 118 CA VAL A 10 19.045 4.634 -6.767 1.00 2.02 C ATOM 119 C VAL A 10 20.360 5.229 -7.258 1.00 53.54 C ATOM 120 O VAL A 10 21.227 4.516 -7.763 1.00 52.01 O ATOM 121 CB VAL A 10 19.144 4.382 -5.250 1.00 55.44 C ATOM 122 CG1 VAL A 10 19.198 5.700 -4.493 1.00 2.32 C ATOM 123 CG2 VAL A 10 17.975 3.533 -4.775 1.00 31.31 C ATOM 0 H VAL A 10 19.425 2.677 -7.414 1.00 24.55 H new ATOM 0 HA VAL A 10 18.236 5.339 -6.959 1.00 2.02 H new ATOM 0 HB VAL A 10 20.066 3.836 -5.048 1.00 55.44 H new ATOM 0 HG11 VAL A 10 19.268 5.503 -3.423 1.00 2.32 H new ATOM 0 HG12 VAL A 10 20.070 6.269 -4.815 1.00 2.32 H new ATOM 0 HG13 VAL A 10 18.295 6.274 -4.698 1.00 2.32 H new ATOM 0 HG21 VAL A 10 18.060 3.364 -3.701 1.00 31.31 H new ATOM 0 HG22 VAL A 10 17.039 4.050 -4.988 1.00 31.31 H new ATOM 0 HG23 VAL A 10 17.986 2.575 -5.295 1.00 31.31 H new ATOM 133 N VAL A 11 20.501 6.543 -7.107 1.00 65.52 N ATOM 134 CA VAL A 11 21.711 7.235 -7.534 1.00 44.02 C ATOM 135 C VAL A 11 22.256 8.126 -6.423 1.00 71.22 C ATOM 136 O VAL A 11 21.495 8.678 -5.628 1.00 22.24 O ATOM 137 CB VAL A 11 21.454 8.094 -8.786 1.00 40.24 C ATOM 138 CG1 VAL A 11 21.004 7.223 -9.949 1.00 32.31 C ATOM 139 CG2 VAL A 11 20.425 9.174 -8.489 1.00 34.02 C ATOM 0 H VAL A 11 19.793 7.148 -6.692 1.00 65.52 H new ATOM 0 HA VAL A 11 22.447 6.467 -7.774 1.00 44.02 H new ATOM 0 HB VAL A 11 22.387 8.581 -9.068 1.00 40.24 H new ATOM 0 HG11 VAL A 11 20.827 7.848 -10.824 1.00 32.31 H new ATOM 0 HG12 VAL A 11 21.779 6.491 -10.176 1.00 32.31 H new ATOM 0 HG13 VAL A 11 20.083 6.705 -9.681 1.00 32.31 H new ATOM 0 HG21 VAL A 11 20.256 9.771 -9.385 1.00 34.02 H new ATOM 0 HG22 VAL A 11 19.489 8.709 -8.180 1.00 34.02 H new ATOM 0 HG23 VAL A 11 20.792 9.816 -7.689 1.00 34.02 H new ATOM 149 N ILE A 12 23.577 8.262 -6.375 1.00 72.43 N ATOM 150 CA ILE A 12 24.223 9.087 -5.362 1.00 60.05 C ATOM 151 C ILE A 12 24.754 10.383 -5.966 1.00 62.42 C ATOM 152 O ILE A 12 25.385 10.374 -7.023 1.00 12.21 O ATOM 153 CB ILE A 12 25.384 8.337 -4.682 1.00 15.42 C ATOM 154 CG1 ILE A 12 25.043 6.853 -4.533 1.00 63.04 C ATOM 155 CG2 ILE A 12 25.689 8.954 -3.325 1.00 44.43 C ATOM 156 CD1 ILE A 12 26.108 6.058 -3.811 1.00 3.33 C ATOM 0 H ILE A 12 24.221 7.812 -7.026 1.00 72.43 H new ATOM 0 HA ILE A 12 23.465 9.321 -4.614 1.00 60.05 H new ATOM 0 HB ILE A 12 26.272 8.426 -5.308 1.00 15.42 H new ATOM 0 HG12 ILE A 12 24.101 6.757 -3.993 1.00 63.04 H new ATOM 0 HG13 ILE A 12 24.888 6.423 -5.523 1.00 63.04 H new ATOM 0 HG21 ILE A 12 26.511 8.414 -2.856 1.00 44.43 H new ATOM 0 HG22 ILE A 12 25.969 9.999 -3.455 1.00 44.43 H new ATOM 0 HG23 ILE A 12 24.805 8.892 -2.690 1.00 44.43 H new ATOM 0 HD11 ILE A 12 25.799 5.015 -3.742 1.00 3.33 H new ATOM 0 HD12 ILE A 12 27.046 6.123 -4.362 1.00 3.33 H new ATOM 0 HD13 ILE A 12 26.247 6.462 -2.808 1.00 3.33 H new ATOM 168 N ALA A 13 24.496 11.495 -5.286 1.00 41.15 N ATOM 169 CA ALA A 13 24.951 12.799 -5.753 1.00 65.34 C ATOM 170 C ALA A 13 26.444 12.981 -5.502 1.00 3.23 C ATOM 171 O ALA A 13 26.918 12.824 -4.376 1.00 3.13 O ATOM 172 CB ALA A 13 24.161 13.908 -5.076 1.00 35.22 C ATOM 0 H ALA A 13 23.974 11.519 -4.410 1.00 41.15 H new ATOM 0 HA ALA A 13 24.780 12.852 -6.828 1.00 65.34 H new ATOM 0 HB1 ALA A 13 24.512 14.876 -5.435 1.00 35.22 H new ATOM 0 HB2 ALA A 13 23.102 13.796 -5.311 1.00 35.22 H new ATOM 0 HB3 ALA A 13 24.302 13.848 -3.997 1.00 35.22 H new ATOM 178 N LEU A 14 27.181 13.313 -6.556 1.00 60.32 N ATOM 179 CA LEU A 14 28.622 13.516 -6.450 1.00 13.14 C ATOM 180 C LEU A 14 28.941 14.953 -6.050 1.00 14.13 C ATOM 181 O LEU A 14 29.932 15.213 -5.367 1.00 34.23 O ATOM 182 CB LEU A 14 29.304 13.181 -7.777 1.00 75.22 C ATOM 183 CG LEU A 14 28.730 11.989 -8.544 1.00 60.31 C ATOM 184 CD1 LEU A 14 29.563 11.700 -9.783 1.00 42.32 C ATOM 185 CD2 LEU A 14 28.662 10.761 -7.648 1.00 35.04 C ATOM 0 H LEU A 14 26.805 13.447 -7.494 1.00 60.32 H new ATOM 0 HA LEU A 14 29.002 12.849 -5.676 1.00 13.14 H new ATOM 0 HB2 LEU A 14 29.254 14.060 -8.420 1.00 75.22 H new ATOM 0 HB3 LEU A 14 30.359 12.988 -7.582 1.00 75.22 H new ATOM 0 HG LEU A 14 27.718 12.240 -8.862 1.00 60.31 H new ATOM 0 HD11 LEU A 14 29.139 10.849 -10.316 1.00 42.32 H new ATOM 0 HD12 LEU A 14 29.561 12.574 -10.435 1.00 42.32 H new ATOM 0 HD13 LEU A 14 30.587 11.470 -9.488 1.00 42.32 H new ATOM 0 HD21 LEU A 14 28.251 9.923 -8.210 1.00 35.04 H new ATOM 0 HD22 LEU A 14 29.664 10.509 -7.300 1.00 35.04 H new ATOM 0 HD23 LEU A 14 28.022 10.971 -6.791 1.00 35.04 H new ATOM 197 N TYR A 15 28.094 15.883 -6.478 1.00 34.52 N ATOM 198 CA TYR A 15 28.285 17.294 -6.165 1.00 22.43 C ATOM 199 C TYR A 15 26.944 18.006 -6.018 1.00 41.13 C ATOM 200 O TYR A 15 25.939 17.586 -6.593 1.00 45.40 O ATOM 201 CB TYR A 15 29.119 17.971 -7.254 1.00 32.32 C ATOM 202 CG TYR A 15 30.366 17.202 -7.628 1.00 33.40 C ATOM 203 CD1 TYR A 15 31.534 17.329 -6.886 1.00 55.43 C ATOM 204 CD2 TYR A 15 30.375 16.346 -8.723 1.00 4.21 C ATOM 205 CE1 TYR A 15 32.675 16.629 -7.225 1.00 41.22 C ATOM 206 CE2 TYR A 15 31.512 15.641 -9.068 1.00 71.23 C ATOM 207 CZ TYR A 15 32.659 15.786 -8.317 1.00 3.13 C ATOM 208 OH TYR A 15 33.794 15.086 -8.657 1.00 30.33 O ATOM 0 H TYR A 15 27.268 15.685 -7.043 1.00 34.52 H new ATOM 0 HA TYR A 15 28.817 17.361 -5.216 1.00 22.43 H new ATOM 0 HB2 TYR A 15 28.503 18.102 -8.143 1.00 32.32 H new ATOM 0 HB3 TYR A 15 29.404 18.967 -6.915 1.00 32.32 H new ATOM 0 HD1 TYR A 15 31.550 17.987 -6.029 1.00 55.43 H new ATOM 0 HD2 TYR A 15 29.478 16.230 -9.314 1.00 4.21 H new ATOM 0 HE1 TYR A 15 33.575 16.741 -6.639 1.00 41.22 H new ATOM 0 HE2 TYR A 15 31.502 14.980 -9.922 1.00 71.23 H new ATOM 0 HH TYR A 15 33.615 14.537 -9.449 1.00 30.33 H new ATOM 218 N ASP A 16 26.937 19.087 -5.245 1.00 61.55 N ATOM 219 CA ASP A 16 25.721 19.860 -5.024 1.00 11.14 C ATOM 220 C ASP A 16 25.276 20.553 -6.308 1.00 34.32 C ATOM 221 O ASP A 16 25.839 21.575 -6.701 1.00 72.54 O ATOM 222 CB ASP A 16 25.944 20.897 -3.921 1.00 62.34 C ATOM 223 CG ASP A 16 27.193 21.725 -4.150 1.00 24.20 C ATOM 224 OD1 ASP A 16 28.296 21.236 -3.826 1.00 11.51 O ATOM 225 OD2 ASP A 16 27.068 22.862 -4.652 1.00 64.41 O ATOM 0 H ASP A 16 27.760 19.447 -4.761 1.00 61.55 H new ATOM 0 HA ASP A 16 24.935 19.172 -4.713 1.00 11.14 H new ATOM 0 HB2 ASP A 16 25.079 21.557 -3.867 1.00 62.34 H new ATOM 0 HB3 ASP A 16 26.019 20.390 -2.959 1.00 62.34 H new ATOM 230 N TYR A 17 24.263 19.989 -6.957 1.00 51.50 N ATOM 231 CA TYR A 17 23.744 20.551 -8.199 1.00 23.32 C ATOM 232 C TYR A 17 22.653 21.579 -7.918 1.00 34.31 C ATOM 233 O TYR A 17 21.912 21.462 -6.942 1.00 72.43 O ATOM 234 CB TYR A 17 23.195 19.439 -9.095 1.00 45.42 C ATOM 235 CG TYR A 17 22.466 19.951 -10.317 1.00 11.54 C ATOM 236 CD1 TYR A 17 23.159 20.534 -11.370 1.00 43.15 C ATOM 237 CD2 TYR A 17 21.084 19.854 -10.416 1.00 73.25 C ATOM 238 CE1 TYR A 17 22.497 21.004 -12.488 1.00 41.02 C ATOM 239 CE2 TYR A 17 20.413 20.320 -11.531 1.00 24.41 C ATOM 240 CZ TYR A 17 21.124 20.894 -12.564 1.00 3.01 C ATOM 241 OH TYR A 17 20.460 21.361 -13.675 1.00 61.41 O ATOM 0 H TYR A 17 23.785 19.144 -6.644 1.00 51.50 H new ATOM 0 HA TYR A 17 24.565 21.051 -8.713 1.00 23.32 H new ATOM 0 HB2 TYR A 17 24.019 18.801 -9.415 1.00 45.42 H new ATOM 0 HB3 TYR A 17 22.517 18.816 -8.512 1.00 45.42 H new ATOM 0 HD1 TYR A 17 24.234 20.621 -11.314 1.00 43.15 H new ATOM 0 HD2 TYR A 17 20.524 19.407 -9.608 1.00 73.25 H new ATOM 0 HE1 TYR A 17 23.051 21.455 -13.298 1.00 41.02 H new ATOM 0 HE2 TYR A 17 19.338 20.235 -11.593 1.00 24.41 H new ATOM 0 HH TYR A 17 19.498 21.206 -13.570 1.00 61.41 H new ATOM 251 N GLN A 18 22.560 22.585 -8.781 1.00 43.03 N ATOM 252 CA GLN A 18 21.560 23.634 -8.627 1.00 14.22 C ATOM 253 C GLN A 18 20.884 23.943 -9.959 1.00 21.41 C ATOM 254 O GLN A 18 21.551 24.137 -10.976 1.00 21.32 O ATOM 255 CB GLN A 18 22.202 24.902 -8.062 1.00 2.04 C ATOM 256 CG GLN A 18 22.391 24.868 -6.554 1.00 15.45 C ATOM 257 CD GLN A 18 23.851 24.858 -6.148 1.00 1.32 C ATOM 258 OE1 GLN A 18 24.330 23.906 -5.532 1.00 33.34 O ATOM 259 NE2 GLN A 18 24.569 25.921 -6.492 1.00 51.13 N ATOM 0 H GLN A 18 23.165 22.696 -9.594 1.00 43.03 H new ATOM 0 HA GLN A 18 20.802 23.277 -7.930 1.00 14.22 H new ATOM 0 HB2 GLN A 18 23.171 25.052 -8.538 1.00 2.04 H new ATOM 0 HB3 GLN A 18 21.583 25.760 -8.323 1.00 2.04 H new ATOM 0 HG2 GLN A 18 21.901 25.735 -6.111 1.00 15.45 H new ATOM 0 HG3 GLN A 18 21.900 23.983 -6.150 1.00 15.45 H new ATOM 0 HE21 GLN A 18 24.132 26.688 -7.003 1.00 51.13 H new ATOM 0 HE22 GLN A 18 25.558 25.970 -6.246 1.00 51.13 H new ATOM 268 N THR A 19 19.555 23.986 -9.947 1.00 44.21 N ATOM 269 CA THR A 19 18.789 24.269 -11.154 1.00 42.41 C ATOM 270 C THR A 19 18.381 25.737 -11.214 1.00 75.33 C ATOM 271 O THR A 19 18.382 26.433 -10.200 1.00 45.33 O ATOM 272 CB THR A 19 17.525 23.393 -11.236 1.00 65.50 C ATOM 273 OG1 THR A 19 16.731 23.781 -12.362 1.00 45.44 O ATOM 274 CG2 THR A 19 16.701 23.511 -9.963 1.00 22.00 C ATOM 0 H THR A 19 18.987 23.828 -9.114 1.00 44.21 H new ATOM 0 HA THR A 19 19.436 24.039 -12.000 1.00 42.41 H new ATOM 0 HB THR A 19 17.837 22.355 -11.353 1.00 65.50 H new ATOM 0 HG1 THR A 19 15.828 24.014 -12.061 1.00 45.44 H new ATOM 0 HG21 THR A 19 15.813 22.883 -10.045 1.00 22.00 H new ATOM 0 HG22 THR A 19 17.298 23.186 -9.111 1.00 22.00 H new ATOM 0 HG23 THR A 19 16.400 24.549 -9.819 1.00 22.00 H new ATOM 282 N ASN A 20 18.030 26.200 -12.410 1.00 33.04 N ATOM 283 CA ASN A 20 17.618 27.586 -12.602 1.00 20.15 C ATOM 284 C ASN A 20 16.097 27.707 -12.596 1.00 42.35 C ATOM 285 O ASN A 20 15.549 28.762 -12.274 1.00 65.30 O ATOM 286 CB ASN A 20 18.180 28.129 -13.917 1.00 12.11 C ATOM 287 CG ASN A 20 19.646 28.502 -13.809 1.00 71.34 C ATOM 288 OD1 ASN A 20 20.005 29.463 -13.130 1.00 3.14 O ATOM 289 ND2 ASN A 20 20.501 27.740 -14.482 1.00 74.03 N ATOM 0 H ASN A 20 18.023 25.636 -13.260 1.00 33.04 H new ATOM 0 HA ASN A 20 18.014 28.175 -11.775 1.00 20.15 H new ATOM 0 HB2 ASN A 20 18.055 27.380 -14.699 1.00 12.11 H new ATOM 0 HB3 ASN A 20 17.606 29.005 -14.220 1.00 12.11 H new ATOM 0 HD21 ASN A 20 21.500 27.942 -14.448 1.00 74.03 H new ATOM 0 HD22 ASN A 20 20.158 26.953 -15.033 1.00 74.03 H new ATOM 296 N ASP A 21 15.421 26.621 -12.955 1.00 45.32 N ATOM 297 CA ASP A 21 13.964 26.605 -12.991 1.00 33.24 C ATOM 298 C ASP A 21 13.411 25.497 -12.099 1.00 60.24 C ATOM 299 O ASP A 21 14.107 24.543 -11.749 1.00 13.41 O ATOM 300 CB ASP A 21 13.469 26.417 -14.426 1.00 22.54 C ATOM 301 CG ASP A 21 13.333 27.731 -15.168 1.00 42.23 C ATOM 302 OD1 ASP A 21 14.373 28.310 -15.547 1.00 25.42 O ATOM 303 OD2 ASP A 21 12.186 28.181 -15.372 1.00 4.23 O ATOM 0 H ASP A 21 15.859 25.740 -13.225 1.00 45.32 H new ATOM 0 HA ASP A 21 13.605 27.563 -12.615 1.00 33.24 H new ATOM 0 HB2 ASP A 21 14.161 25.769 -14.964 1.00 22.54 H new ATOM 0 HB3 ASP A 21 12.504 25.910 -14.411 1.00 22.54 H new ATOM 308 N PRO A 22 12.130 25.624 -11.722 1.00 61.14 N ATOM 309 CA PRO A 22 11.456 24.643 -10.867 1.00 32.02 C ATOM 310 C PRO A 22 11.216 23.318 -11.582 1.00 21.32 C ATOM 311 O PRO A 22 10.931 22.303 -10.947 1.00 34.12 O ATOM 312 CB PRO A 22 10.124 25.319 -10.533 1.00 53.35 C ATOM 313 CG PRO A 22 9.884 26.260 -11.663 1.00 54.51 C ATOM 314 CD PRO A 22 11.241 26.735 -12.103 1.00 22.43 C ATOM 0 HA PRO A 22 12.052 24.389 -9.991 1.00 32.02 H new ATOM 0 HB2 PRO A 22 9.319 24.589 -10.448 1.00 53.35 H new ATOM 0 HB3 PRO A 22 10.176 25.848 -9.581 1.00 53.35 H new ATOM 0 HG2 PRO A 22 9.361 25.763 -12.480 1.00 54.51 H new ATOM 0 HG3 PRO A 22 9.261 27.097 -11.348 1.00 54.51 H new ATOM 0 HD2 PRO A 22 11.272 26.925 -13.176 1.00 22.43 H new ATOM 0 HD3 PRO A 22 11.522 27.664 -11.606 1.00 22.43 H new ATOM 322 N GLN A 23 11.335 23.335 -12.906 1.00 35.15 N ATOM 323 CA GLN A 23 11.130 22.133 -13.706 1.00 1.30 C ATOM 324 C GLN A 23 12.111 21.037 -13.303 1.00 11.23 C ATOM 325 O GLN A 23 11.763 19.857 -13.282 1.00 54.33 O ATOM 326 CB GLN A 23 11.288 22.453 -15.194 1.00 14.15 C ATOM 327 CG GLN A 23 10.556 21.482 -16.105 1.00 73.34 C ATOM 328 CD GLN A 23 10.514 21.952 -17.546 1.00 1.10 C ATOM 329 OE1 GLN A 23 11.305 22.802 -17.957 1.00 12.03 O ATOM 330 NE2 GLN A 23 9.589 21.400 -18.323 1.00 1.43 N ATOM 0 H GLN A 23 11.572 24.167 -13.447 1.00 35.15 H new ATOM 0 HA GLN A 23 10.117 21.774 -13.524 1.00 1.30 H new ATOM 0 HB2 GLN A 23 10.920 23.462 -15.381 1.00 14.15 H new ATOM 0 HB3 GLN A 23 12.348 22.448 -15.448 1.00 14.15 H new ATOM 0 HG2 GLN A 23 11.044 20.508 -16.059 1.00 73.34 H new ATOM 0 HG3 GLN A 23 9.537 21.346 -15.741 1.00 73.34 H new ATOM 0 HE21 GLN A 23 8.954 20.699 -17.941 1.00 1.43 H new ATOM 0 HE22 GLN A 23 9.514 21.677 -19.302 1.00 1.43 H new ATOM 339 N GLU A 24 13.338 21.436 -12.983 1.00 41.21 N ATOM 340 CA GLU A 24 14.369 20.486 -12.582 1.00 1.43 C ATOM 341 C GLU A 24 14.595 20.534 -11.073 1.00 43.23 C ATOM 342 O GLU A 24 14.162 21.469 -10.398 1.00 43.23 O ATOM 343 CB GLU A 24 15.679 20.782 -13.315 1.00 23.14 C ATOM 344 CG GLU A 24 15.490 21.140 -14.779 1.00 62.21 C ATOM 345 CD GLU A 24 16.502 20.461 -15.681 1.00 63.31 C ATOM 346 OE1 GLU A 24 17.717 20.638 -15.450 1.00 74.51 O ATOM 347 OE2 GLU A 24 16.079 19.752 -16.618 1.00 62.33 O ATOM 0 H GLU A 24 13.642 22.410 -12.994 1.00 41.21 H new ATOM 0 HA GLU A 24 14.030 19.485 -12.850 1.00 1.43 H new ATOM 0 HB2 GLU A 24 16.189 21.603 -12.812 1.00 23.14 H new ATOM 0 HB3 GLU A 24 16.330 19.911 -13.244 1.00 23.14 H new ATOM 0 HG2 GLU A 24 14.484 20.858 -15.091 1.00 62.21 H new ATOM 0 HG3 GLU A 24 15.570 22.221 -14.898 1.00 62.21 H new ATOM 354 N LEU A 25 15.276 19.520 -10.551 1.00 32.02 N ATOM 355 CA LEU A 25 15.560 19.445 -9.122 1.00 20.41 C ATOM 356 C LEU A 25 17.043 19.676 -8.849 1.00 13.53 C ATOM 357 O LEU A 25 17.855 19.717 -9.772 1.00 22.20 O ATOM 358 CB LEU A 25 15.134 18.084 -8.568 1.00 64.33 C ATOM 359 CG LEU A 25 13.990 18.100 -7.554 1.00 62.41 C ATOM 360 CD1 LEU A 25 12.808 18.887 -8.096 1.00 14.41 C ATOM 361 CD2 LEU A 25 13.571 16.680 -7.201 1.00 11.14 C ATOM 0 H LEU A 25 15.642 18.739 -11.095 1.00 32.02 H new ATOM 0 HA LEU A 25 14.991 20.228 -8.622 1.00 20.41 H new ATOM 0 HB2 LEU A 25 14.842 17.449 -9.404 1.00 64.33 H new ATOM 0 HB3 LEU A 25 16.001 17.617 -8.100 1.00 64.33 H new ATOM 0 HG LEU A 25 14.341 18.590 -6.646 1.00 62.41 H new ATOM 0 HD11 LEU A 25 12.003 18.888 -7.361 1.00 14.41 H new ATOM 0 HD12 LEU A 25 13.116 19.913 -8.298 1.00 14.41 H new ATOM 0 HD13 LEU A 25 12.456 18.426 -9.019 1.00 14.41 H new ATOM 0 HD21 LEU A 25 12.756 16.710 -6.478 1.00 11.14 H new ATOM 0 HD22 LEU A 25 13.238 16.164 -8.102 1.00 11.14 H new ATOM 0 HD23 LEU A 25 14.419 16.147 -6.770 1.00 11.14 H new ATOM 373 N ALA A 26 17.388 19.826 -7.574 1.00 52.10 N ATOM 374 CA ALA A 26 18.773 20.049 -7.179 1.00 11.42 C ATOM 375 C ALA A 26 19.333 18.841 -6.436 1.00 44.20 C ATOM 376 O ALA A 26 18.604 18.135 -5.739 1.00 72.41 O ATOM 377 CB ALA A 26 18.881 21.298 -6.316 1.00 50.35 C ATOM 0 H ALA A 26 16.727 19.797 -6.798 1.00 52.10 H new ATOM 0 HA ALA A 26 19.364 20.193 -8.083 1.00 11.42 H new ATOM 0 HB1 ALA A 26 19.921 21.453 -6.028 1.00 50.35 H new ATOM 0 HB2 ALA A 26 18.528 22.162 -6.880 1.00 50.35 H new ATOM 0 HB3 ALA A 26 18.271 21.176 -5.421 1.00 50.35 H new ATOM 383 N LEU A 27 20.632 18.609 -6.590 1.00 22.34 N ATOM 384 CA LEU A 27 21.291 17.485 -5.933 1.00 60.55 C ATOM 385 C LEU A 27 22.114 17.957 -4.739 1.00 53.11 C ATOM 386 O LEU A 27 22.479 19.129 -4.650 1.00 5.24 O ATOM 387 CB LEU A 27 22.190 16.745 -6.926 1.00 31.22 C ATOM 388 CG LEU A 27 21.513 16.250 -8.205 1.00 3.32 C ATOM 389 CD1 LEU A 27 22.553 15.807 -9.222 1.00 4.30 C ATOM 390 CD2 LEU A 27 20.551 15.113 -7.894 1.00 12.44 C ATOM 0 H LEU A 27 21.250 19.184 -7.164 1.00 22.34 H new ATOM 0 HA LEU A 27 20.520 16.804 -5.572 1.00 60.55 H new ATOM 0 HB2 LEU A 27 23.010 17.406 -7.206 1.00 31.22 H new ATOM 0 HB3 LEU A 27 22.631 15.888 -6.417 1.00 31.22 H new ATOM 0 HG LEU A 27 20.943 17.074 -8.634 1.00 3.32 H new ATOM 0 HD11 LEU A 27 22.053 15.458 -10.125 1.00 4.30 H new ATOM 0 HD12 LEU A 27 23.202 16.647 -9.468 1.00 4.30 H new ATOM 0 HD13 LEU A 27 23.151 14.998 -8.802 1.00 4.30 H new ATOM 0 HD21 LEU A 27 20.079 14.774 -8.816 1.00 12.44 H new ATOM 0 HD22 LEU A 27 21.099 14.286 -7.441 1.00 12.44 H new ATOM 0 HD23 LEU A 27 19.785 15.463 -7.202 1.00 12.44 H new ATOM 402 N ARG A 28 22.403 17.037 -3.825 1.00 70.21 N ATOM 403 CA ARG A 28 23.184 17.359 -2.637 1.00 15.23 C ATOM 404 C ARG A 28 24.320 16.359 -2.445 1.00 10.21 C ATOM 405 O ARG A 28 24.103 15.147 -2.462 1.00 2.44 O ATOM 406 CB ARG A 28 22.286 17.371 -1.398 1.00 75.42 C ATOM 407 CG ARG A 28 21.615 18.711 -1.145 1.00 34.33 C ATOM 408 CD ARG A 28 22.591 19.721 -0.562 1.00 54.04 C ATOM 409 NE ARG A 28 21.971 21.028 -0.362 1.00 52.11 N ATOM 410 CZ ARG A 28 21.179 21.316 0.665 1.00 51.32 C ATOM 411 NH1 ARG A 28 20.912 20.395 1.580 1.00 64.42 N ATOM 412 NH2 ARG A 28 20.652 22.529 0.778 1.00 23.01 N ATOM 0 H ARG A 28 22.108 16.062 -3.884 1.00 70.21 H new ATOM 0 HA ARG A 28 23.615 18.350 -2.775 1.00 15.23 H new ATOM 0 HB2 ARG A 28 21.518 16.605 -1.509 1.00 75.42 H new ATOM 0 HB3 ARG A 28 22.881 17.102 -0.526 1.00 75.42 H new ATOM 0 HG2 ARG A 28 21.205 19.096 -2.079 1.00 34.33 H new ATOM 0 HG3 ARG A 28 20.777 18.576 -0.461 1.00 34.33 H new ATOM 0 HD2 ARG A 28 22.971 19.350 0.390 1.00 54.04 H new ATOM 0 HD3 ARG A 28 23.447 19.824 -1.228 1.00 54.04 H new ATOM 0 HE ARG A 28 22.156 21.760 -1.048 1.00 52.11 H new ATOM 0 HH11 ARG A 28 21.315 19.462 1.497 1.00 64.42 H new ATOM 0 HH12 ARG A 28 20.304 20.620 2.367 1.00 64.42 H new ATOM 0 HH21 ARG A 28 20.855 23.241 0.076 1.00 23.01 H new ATOM 0 HH22 ARG A 28 20.044 22.749 1.567 1.00 23.01 H new ATOM 426 N ARG A 29 25.531 16.875 -2.263 1.00 41.34 N ATOM 427 CA ARG A 29 26.702 16.028 -2.070 1.00 73.04 C ATOM 428 C ARG A 29 26.444 14.984 -0.988 1.00 63.40 C ATOM 429 O ARG A 29 25.872 15.287 0.057 1.00 14.25 O ATOM 430 CB ARG A 29 27.917 16.878 -1.695 1.00 51.11 C ATOM 431 CG ARG A 29 29.245 16.177 -1.925 1.00 65.34 C ATOM 432 CD ARG A 29 30.420 17.101 -1.643 1.00 34.10 C ATOM 433 NE ARG A 29 30.830 17.052 -0.242 1.00 52.32 N ATOM 434 CZ ARG A 29 31.789 17.816 0.270 1.00 54.03 C ATOM 435 NH1 ARG A 29 32.432 18.683 -0.500 1.00 21.11 N ATOM 436 NH2 ARG A 29 32.105 17.714 1.554 1.00 20.23 N ATOM 0 H ARG A 29 25.727 17.876 -2.245 1.00 41.34 H new ATOM 0 HA ARG A 29 26.905 15.512 -3.008 1.00 73.04 H new ATOM 0 HB2 ARG A 29 27.897 17.800 -2.275 1.00 51.11 H new ATOM 0 HB3 ARG A 29 27.842 17.160 -0.645 1.00 51.11 H new ATOM 0 HG2 ARG A 29 29.310 15.298 -1.283 1.00 65.34 H new ATOM 0 HG3 ARG A 29 29.298 15.824 -2.955 1.00 65.34 H new ATOM 0 HD2 ARG A 29 31.261 16.822 -2.277 1.00 34.10 H new ATOM 0 HD3 ARG A 29 30.149 18.123 -1.906 1.00 34.10 H new ATOM 0 HE ARG A 29 30.354 16.396 0.377 1.00 52.32 H new ATOM 0 HH11 ARG A 29 32.191 18.765 -1.488 1.00 21.11 H new ATOM 0 HH12 ARG A 29 33.168 19.268 -0.105 1.00 21.11 H new ATOM 0 HH21 ARG A 29 31.612 17.049 2.149 1.00 20.23 H new ATOM 0 HH22 ARG A 29 32.841 18.301 1.946 1.00 20.23 H new ATOM 450 N ASN A 30 26.871 13.752 -1.248 1.00 4.12 N ATOM 451 CA ASN A 30 26.686 12.662 -0.296 1.00 42.44 C ATOM 452 C ASN A 30 25.206 12.451 0.008 1.00 41.34 C ATOM 453 O ASN A 30 24.791 12.478 1.166 1.00 72.34 O ATOM 454 CB ASN A 30 27.448 12.953 0.998 1.00 31.04 C ATOM 455 CG ASN A 30 28.913 12.574 0.905 1.00 43.04 C ATOM 456 OD1 ASN A 30 29.533 12.705 -0.151 1.00 5.12 O ATOM 457 ND2 ASN A 30 29.474 12.101 2.011 1.00 31.15 N ATOM 0 H ASN A 30 27.347 13.484 -2.109 1.00 4.12 H new ATOM 0 HA ASN A 30 27.080 11.750 -0.744 1.00 42.44 H new ATOM 0 HB2 ASN A 30 27.364 14.014 1.235 1.00 31.04 H new ATOM 0 HB3 ASN A 30 26.986 12.406 1.819 1.00 31.04 H new ATOM 0 HD21 ASN A 30 30.457 11.829 2.008 1.00 31.15 H new ATOM 0 HD22 ASN A 30 28.922 12.009 2.864 1.00 31.15 H new ATOM 464 N GLU A 31 24.416 12.241 -1.041 1.00 2.42 N ATOM 465 CA GLU A 31 22.982 12.026 -0.885 1.00 45.03 C ATOM 466 C GLU A 31 22.467 11.027 -1.917 1.00 41.25 C ATOM 467 O GLU A 31 23.011 10.919 -3.016 1.00 54.21 O ATOM 468 CB GLU A 31 22.228 13.350 -1.020 1.00 13.23 C ATOM 469 CG GLU A 31 20.813 13.303 -0.468 1.00 11.23 C ATOM 470 CD GLU A 31 20.770 13.452 1.041 1.00 50.33 C ATOM 471 OE1 GLU A 31 20.988 14.580 1.531 1.00 14.22 O ATOM 472 OE2 GLU A 31 20.519 12.442 1.730 1.00 3.25 O ATOM 0 H GLU A 31 24.744 12.215 -2.006 1.00 2.42 H new ATOM 0 HA GLU A 31 22.808 11.617 0.110 1.00 45.03 H new ATOM 0 HB2 GLU A 31 22.785 14.130 -0.502 1.00 13.23 H new ATOM 0 HB3 GLU A 31 22.189 13.631 -2.072 1.00 13.23 H new ATOM 0 HG2 GLU A 31 20.222 14.097 -0.925 1.00 11.23 H new ATOM 0 HG3 GLU A 31 20.348 12.358 -0.749 1.00 11.23 H new ATOM 479 N GLU A 32 21.416 10.299 -1.555 1.00 14.35 N ATOM 480 CA GLU A 32 20.828 9.308 -2.449 1.00 0.55 C ATOM 481 C GLU A 32 19.532 9.830 -3.062 1.00 51.12 C ATOM 482 O GLU A 32 18.840 10.657 -2.468 1.00 35.32 O ATOM 483 CB GLU A 32 20.559 8.004 -1.695 1.00 5.44 C ATOM 484 CG GLU A 32 21.732 7.038 -1.714 1.00 34.31 C ATOM 485 CD GLU A 32 21.773 6.146 -0.488 1.00 74.12 C ATOM 486 OE1 GLU A 32 20.844 5.328 -0.317 1.00 44.43 O ATOM 487 OE2 GLU A 32 22.734 6.266 0.300 1.00 31.21 O ATOM 0 H GLU A 32 20.954 10.377 -0.649 1.00 14.35 H new ATOM 0 HA GLU A 32 21.538 9.115 -3.253 1.00 0.55 H new ATOM 0 HB2 GLU A 32 20.308 8.237 -0.660 1.00 5.44 H new ATOM 0 HB3 GLU A 32 19.689 7.514 -2.132 1.00 5.44 H new ATOM 0 HG2 GLU A 32 21.673 6.418 -2.608 1.00 34.31 H new ATOM 0 HG3 GLU A 32 22.662 7.603 -1.779 1.00 34.31 H new ATOM 494 N TYR A 33 19.211 9.342 -4.255 1.00 72.21 N ATOM 495 CA TYR A 33 18.000 9.760 -4.952 1.00 1.25 C ATOM 496 C TYR A 33 17.360 8.585 -5.685 1.00 11.42 C ATOM 497 O TYR A 33 18.018 7.890 -6.459 1.00 71.43 O ATOM 498 CB TYR A 33 18.318 10.882 -5.942 1.00 30.22 C ATOM 499 CG TYR A 33 18.768 12.164 -5.280 1.00 4.43 C ATOM 500 CD1 TYR A 33 17.845 13.114 -4.861 1.00 52.40 C ATOM 501 CD2 TYR A 33 20.117 12.427 -5.074 1.00 21.22 C ATOM 502 CE1 TYR A 33 18.252 14.288 -4.256 1.00 55.13 C ATOM 503 CE2 TYR A 33 20.533 13.597 -4.469 1.00 32.04 C ATOM 504 CZ TYR A 33 19.596 14.524 -4.062 1.00 4.51 C ATOM 505 OH TYR A 33 20.007 15.692 -3.460 1.00 34.00 O ATOM 0 H TYR A 33 19.773 8.656 -4.760 1.00 72.21 H new ATOM 0 HA TYR A 33 17.293 10.130 -4.209 1.00 1.25 H new ATOM 0 HB2 TYR A 33 19.097 10.543 -6.625 1.00 30.22 H new ATOM 0 HB3 TYR A 33 17.433 11.085 -6.544 1.00 30.22 H new ATOM 0 HD1 TYR A 33 16.791 12.932 -5.011 1.00 52.40 H new ATOM 0 HD2 TYR A 33 20.853 11.704 -5.393 1.00 21.22 H new ATOM 0 HE1 TYR A 33 17.521 15.016 -3.937 1.00 55.13 H new ATOM 0 HE2 TYR A 33 21.585 13.785 -4.316 1.00 32.04 H new ATOM 0 HH TYR A 33 19.758 15.677 -2.512 1.00 34.00 H new ATOM 515 N CYS A 34 16.073 8.372 -5.435 1.00 71.43 N ATOM 516 CA CYS A 34 15.342 7.281 -6.071 1.00 52.20 C ATOM 517 C CYS A 34 15.183 7.532 -7.567 1.00 45.21 C ATOM 518 O CYS A 34 14.376 8.363 -7.986 1.00 63.12 O ATOM 519 CB CYS A 34 13.967 7.114 -5.421 1.00 44.14 C ATOM 520 SG CYS A 34 13.637 5.444 -4.811 1.00 44.41 S ATOM 0 H CYS A 34 15.514 8.939 -4.797 1.00 71.43 H new ATOM 0 HA CYS A 34 15.915 6.364 -5.934 1.00 52.20 H new ATOM 0 HB2 CYS A 34 13.881 7.816 -4.591 1.00 44.14 H new ATOM 0 HB3 CYS A 34 13.199 7.383 -6.146 1.00 44.14 H new ATOM 0 HG CYS A 34 12.452 5.403 -4.277 1.00 44.41 H new ATOM 526 N LEU A 35 15.960 6.811 -8.368 1.00 33.41 N ATOM 527 CA LEU A 35 15.907 6.956 -9.819 1.00 23.24 C ATOM 528 C LEU A 35 14.547 6.527 -10.360 1.00 3.00 C ATOM 529 O LEU A 35 14.024 5.474 -9.992 1.00 1.44 O ATOM 530 CB LEU A 35 17.014 6.128 -10.474 1.00 60.20 C ATOM 531 CG LEU A 35 17.556 6.662 -11.800 1.00 4.40 C ATOM 532 CD1 LEU A 35 16.466 6.666 -12.860 1.00 40.01 C ATOM 533 CD2 LEU A 35 18.130 8.060 -11.617 1.00 54.10 C ATOM 0 H LEU A 35 16.634 6.120 -8.038 1.00 33.41 H new ATOM 0 HA LEU A 35 16.057 8.008 -10.060 1.00 23.24 H new ATOM 0 HB2 LEU A 35 17.844 6.047 -9.772 1.00 60.20 H new ATOM 0 HB3 LEU A 35 16.636 5.119 -10.639 1.00 60.20 H new ATOM 0 HG LEU A 35 18.357 6.003 -12.135 1.00 4.40 H new ATOM 0 HD11 LEU A 35 16.871 7.049 -13.797 1.00 40.01 H new ATOM 0 HD12 LEU A 35 16.102 5.650 -13.011 1.00 40.01 H new ATOM 0 HD13 LEU A 35 15.643 7.302 -12.533 1.00 40.01 H new ATOM 0 HD21 LEU A 35 18.511 8.425 -12.571 1.00 54.10 H new ATOM 0 HD22 LEU A 35 17.349 8.730 -11.259 1.00 54.10 H new ATOM 0 HD23 LEU A 35 18.942 8.028 -10.890 1.00 54.10 H new ATOM 545 N LEU A 36 13.980 7.347 -11.238 1.00 4.44 N ATOM 546 CA LEU A 36 12.681 7.052 -11.833 1.00 5.45 C ATOM 547 C LEU A 36 12.796 6.912 -13.347 1.00 75.11 C ATOM 548 O LEU A 36 12.314 5.939 -13.928 1.00 42.22 O ATOM 549 CB LEU A 36 11.678 8.153 -11.485 1.00 75.01 C ATOM 550 CG LEU A 36 11.589 8.539 -10.008 1.00 71.22 C ATOM 551 CD1 LEU A 36 11.457 10.046 -9.857 1.00 42.33 C ATOM 552 CD2 LEU A 36 10.419 7.830 -9.341 1.00 62.00 C ATOM 0 H LEU A 36 14.399 8.222 -11.554 1.00 4.44 H new ATOM 0 HA LEU A 36 12.327 6.105 -11.425 1.00 5.45 H new ATOM 0 HB2 LEU A 36 11.934 9.044 -12.058 1.00 75.01 H new ATOM 0 HB3 LEU A 36 10.690 7.834 -11.817 1.00 75.01 H new ATOM 0 HG LEU A 36 12.508 8.224 -9.514 1.00 71.22 H new ATOM 0 HD11 LEU A 36 11.395 10.302 -8.799 1.00 42.33 H new ATOM 0 HD12 LEU A 36 12.327 10.533 -10.298 1.00 42.33 H new ATOM 0 HD13 LEU A 36 10.555 10.385 -10.366 1.00 42.33 H new ATOM 0 HD21 LEU A 36 10.371 8.116 -8.290 1.00 62.00 H new ATOM 0 HD22 LEU A 36 9.491 8.114 -9.837 1.00 62.00 H new ATOM 0 HD23 LEU A 36 10.556 6.751 -9.417 1.00 62.00 H new ATOM 564 N ASP A 37 13.437 7.888 -13.980 1.00 20.02 N ATOM 565 CA ASP A 37 13.618 7.872 -15.427 1.00 33.12 C ATOM 566 C ASP A 37 15.062 8.194 -15.798 1.00 30.33 C ATOM 567 O ASP A 37 15.588 9.245 -15.432 1.00 31.33 O ATOM 568 CB ASP A 37 12.672 8.874 -16.091 1.00 61.44 C ATOM 569 CG ASP A 37 11.913 8.269 -17.256 1.00 64.52 C ATOM 570 OD1 ASP A 37 12.467 8.241 -18.375 1.00 43.14 O ATOM 571 OD2 ASP A 37 10.766 7.822 -17.049 1.00 22.45 O ATOM 0 H ASP A 37 13.840 8.701 -13.514 1.00 20.02 H new ATOM 0 HA ASP A 37 13.385 6.870 -15.787 1.00 33.12 H new ATOM 0 HB2 ASP A 37 11.962 9.244 -15.351 1.00 61.44 H new ATOM 0 HB3 ASP A 37 13.245 9.733 -16.441 1.00 61.44 H new ATOM 576 N SER A 38 15.698 7.281 -16.525 1.00 41.23 N ATOM 577 CA SER A 38 17.083 7.466 -16.942 1.00 24.53 C ATOM 578 C SER A 38 17.243 7.195 -18.435 1.00 35.03 C ATOM 579 O SER A 38 17.607 6.092 -18.842 1.00 25.05 O ATOM 580 CB SER A 38 18.005 6.542 -16.143 1.00 63.34 C ATOM 581 OG SER A 38 17.412 5.269 -15.954 1.00 31.12 O ATOM 0 H SER A 38 15.277 6.406 -16.837 1.00 41.23 H new ATOM 0 HA SER A 38 17.360 8.502 -16.748 1.00 24.53 H new ATOM 0 HB2 SER A 38 18.955 6.430 -16.666 1.00 63.34 H new ATOM 0 HB3 SER A 38 18.225 6.991 -15.175 1.00 63.34 H new ATOM 0 HG SER A 38 17.141 4.902 -16.821 1.00 31.12 H new ATOM 587 N SER A 39 16.966 8.210 -19.247 1.00 13.45 N ATOM 588 CA SER A 39 17.074 8.082 -20.695 1.00 51.51 C ATOM 589 C SER A 39 18.482 8.432 -21.168 1.00 31.44 C ATOM 590 O SER A 39 19.065 7.724 -21.988 1.00 43.33 O ATOM 591 CB SER A 39 16.053 8.988 -21.386 1.00 14.11 C ATOM 592 OG SER A 39 15.665 8.456 -22.641 1.00 23.43 O ATOM 0 H SER A 39 16.665 9.130 -18.926 1.00 13.45 H new ATOM 0 HA SER A 39 16.867 7.045 -20.959 1.00 51.51 H new ATOM 0 HB2 SER A 39 15.176 9.104 -20.750 1.00 14.11 H new ATOM 0 HB3 SER A 39 16.479 9.982 -21.525 1.00 14.11 H new ATOM 0 HG SER A 39 15.011 9.053 -23.061 1.00 23.43 H new ATOM 598 N GLU A 40 19.021 9.528 -20.643 1.00 32.44 N ATOM 599 CA GLU A 40 20.360 9.971 -21.011 1.00 50.53 C ATOM 600 C GLU A 40 20.881 11.010 -20.022 1.00 34.01 C ATOM 601 O GLU A 40 20.115 11.581 -19.245 1.00 54.44 O ATOM 602 CB GLU A 40 20.356 10.555 -22.426 1.00 5.33 C ATOM 603 CG GLU A 40 21.708 10.486 -23.116 1.00 3.40 C ATOM 604 CD GLU A 40 21.593 10.501 -24.628 1.00 32.52 C ATOM 605 OE1 GLU A 40 20.454 10.577 -25.134 1.00 53.34 O ATOM 606 OE2 GLU A 40 22.640 10.434 -25.304 1.00 43.52 O ATOM 0 H GLU A 40 18.551 10.125 -19.962 1.00 32.44 H new ATOM 0 HA GLU A 40 21.022 9.105 -20.984 1.00 50.53 H new ATOM 0 HB2 GLU A 40 19.622 10.020 -23.029 1.00 5.33 H new ATOM 0 HB3 GLU A 40 20.034 11.595 -22.380 1.00 5.33 H new ATOM 0 HG2 GLU A 40 22.320 11.329 -22.794 1.00 3.40 H new ATOM 0 HG3 GLU A 40 22.225 9.579 -22.804 1.00 3.40 H new ATOM 613 N ILE A 41 22.187 11.248 -20.056 1.00 44.00 N ATOM 614 CA ILE A 41 22.810 12.217 -19.163 1.00 44.33 C ATOM 615 C ILE A 41 22.161 13.590 -19.303 1.00 34.24 C ATOM 616 O ILE A 41 22.276 14.436 -18.416 1.00 5.42 O ATOM 617 CB ILE A 41 24.320 12.346 -19.438 1.00 43.40 C ATOM 618 CG1 ILE A 41 24.945 13.381 -18.499 1.00 70.25 C ATOM 619 CG2 ILE A 41 24.564 12.726 -20.891 1.00 12.10 C ATOM 620 CD1 ILE A 41 26.452 13.462 -18.607 1.00 14.12 C ATOM 0 H ILE A 41 22.835 10.783 -20.692 1.00 44.00 H new ATOM 0 HA ILE A 41 22.663 11.850 -18.147 1.00 44.33 H new ATOM 0 HB ILE A 41 24.792 11.381 -19.251 1.00 43.40 H new ATOM 0 HG12 ILE A 41 24.520 14.361 -18.717 1.00 70.25 H new ATOM 0 HG13 ILE A 41 24.675 13.138 -17.471 1.00 70.25 H new ATOM 0 HG21 ILE A 41 25.636 12.813 -21.069 1.00 12.10 H new ATOM 0 HG22 ILE A 41 24.149 11.957 -21.543 1.00 12.10 H new ATOM 0 HG23 ILE A 41 24.082 13.680 -21.103 1.00 12.10 H new ATOM 0 HD11 ILE A 41 26.827 14.215 -17.914 1.00 14.12 H new ATOM 0 HD12 ILE A 41 26.887 12.493 -18.360 1.00 14.12 H new ATOM 0 HD13 ILE A 41 26.730 13.736 -19.625 1.00 14.12 H new ATOM 632 N HIS A 42 21.475 13.803 -20.421 1.00 52.12 N ATOM 633 CA HIS A 42 20.803 15.073 -20.676 1.00 25.20 C ATOM 634 C HIS A 42 19.868 15.433 -19.526 1.00 4.44 C ATOM 635 O HIS A 42 19.876 16.564 -19.038 1.00 23.41 O ATOM 636 CB HIS A 42 20.017 15.004 -21.985 1.00 41.34 C ATOM 637 CG HIS A 42 20.886 14.970 -23.205 1.00 1.12 C ATOM 638 ND1 HIS A 42 22.172 14.473 -23.199 1.00 4.33 N ATOM 639 CD2 HIS A 42 20.646 15.373 -24.474 1.00 42.54 C ATOM 640 CE1 HIS A 42 22.687 14.574 -24.411 1.00 53.13 C ATOM 641 NE2 HIS A 42 21.781 15.117 -25.204 1.00 74.25 N ATOM 0 H HIS A 42 21.369 13.113 -21.165 1.00 52.12 H new ATOM 0 HA HIS A 42 21.564 15.849 -20.759 1.00 25.20 H new ATOM 0 HB2 HIS A 42 19.386 14.115 -21.974 1.00 41.34 H new ATOM 0 HB3 HIS A 42 19.353 15.866 -22.046 1.00 41.34 H new ATOM 0 HD2 HIS A 42 19.732 15.814 -24.844 1.00 42.54 H new ATOM 0 HE1 HIS A 42 23.680 14.265 -24.704 1.00 53.13 H new ATOM 0 HE2 HIS A 42 21.904 15.314 -26.197 1.00 74.25 H new ATOM 649 N TRP A 43 19.065 14.467 -19.098 1.00 75.41 N ATOM 650 CA TRP A 43 18.123 14.683 -18.005 1.00 51.15 C ATOM 651 C TRP A 43 17.770 13.367 -17.322 1.00 61.40 C ATOM 652 O TRP A 43 17.381 12.401 -17.979 1.00 21.12 O ATOM 653 CB TRP A 43 16.853 15.358 -18.526 1.00 11.44 C ATOM 654 CG TRP A 43 16.118 14.538 -19.542 1.00 51.33 C ATOM 655 CD1 TRP A 43 16.234 14.620 -20.901 1.00 11.35 C ATOM 656 CD2 TRP A 43 15.152 13.514 -19.281 1.00 63.12 C ATOM 657 NE1 TRP A 43 15.399 13.709 -21.500 1.00 34.54 N ATOM 658 CE2 TRP A 43 14.725 13.017 -20.528 1.00 72.10 C ATOM 659 CE3 TRP A 43 14.609 12.967 -18.116 1.00 32.31 C ATOM 660 CZ2 TRP A 43 13.779 12.001 -20.639 1.00 63.05 C ATOM 661 CZ3 TRP A 43 13.670 11.959 -18.228 1.00 63.33 C ATOM 662 CH2 TRP A 43 13.264 11.484 -19.482 1.00 72.33 C ATOM 0 H TRP A 43 19.047 13.526 -19.491 1.00 75.41 H new ATOM 0 HA TRP A 43 18.599 15.335 -17.272 1.00 51.15 H new ATOM 0 HB2 TRP A 43 16.189 15.564 -17.686 1.00 11.44 H new ATOM 0 HB3 TRP A 43 17.116 16.319 -18.967 1.00 11.44 H new ATOM 0 HD1 TRP A 43 16.887 15.301 -21.427 1.00 11.35 H new ATOM 0 HE1 TRP A 43 15.297 13.570 -22.505 1.00 34.54 H new ATOM 0 HE3 TRP A 43 14.917 13.325 -17.145 1.00 32.31 H new ATOM 0 HZ2 TRP A 43 13.463 11.634 -21.604 1.00 63.05 H new ATOM 0 HZ3 TRP A 43 13.242 11.530 -17.334 1.00 63.33 H new ATOM 0 HH2 TRP A 43 12.530 10.694 -19.536 1.00 72.33 H new ATOM 673 N TRP A 44 17.908 13.335 -16.002 1.00 0.34 N ATOM 674 CA TRP A 44 17.603 12.136 -15.230 1.00 20.22 C ATOM 675 C TRP A 44 16.540 12.423 -14.175 1.00 74.45 C ATOM 676 O TRP A 44 16.742 13.249 -13.285 1.00 70.25 O ATOM 677 CB TRP A 44 18.870 11.599 -14.561 1.00 73.24 C ATOM 678 CG TRP A 44 19.555 10.530 -15.359 1.00 13.33 C ATOM 679 CD1 TRP A 44 19.503 10.358 -16.712 1.00 64.05 C ATOM 680 CD2 TRP A 44 20.392 9.486 -14.851 1.00 32.23 C ATOM 681 NE1 TRP A 44 20.258 9.269 -17.077 1.00 3.13 N ATOM 682 CE2 TRP A 44 20.814 8.717 -15.953 1.00 43.31 C ATOM 683 CE3 TRP A 44 20.827 9.126 -13.573 1.00 3.25 C ATOM 684 CZ2 TRP A 44 21.649 7.612 -15.813 1.00 61.22 C ATOM 685 CZ3 TRP A 44 21.656 8.029 -13.435 1.00 75.54 C ATOM 686 CH2 TRP A 44 22.060 7.282 -14.550 1.00 41.32 C ATOM 0 H TRP A 44 18.229 14.126 -15.443 1.00 0.34 H new ATOM 0 HA TRP A 44 17.214 11.383 -15.915 1.00 20.22 H new ATOM 0 HB2 TRP A 44 19.565 12.423 -14.400 1.00 73.24 H new ATOM 0 HB3 TRP A 44 18.613 11.201 -13.579 1.00 73.24 H new ATOM 0 HD1 TRP A 44 18.950 10.985 -17.395 1.00 64.05 H new ATOM 0 HE1 TRP A 44 20.384 8.927 -18.030 1.00 3.13 H new ATOM 0 HE3 TRP A 44 20.521 9.695 -12.708 1.00 3.25 H new ATOM 0 HZ2 TRP A 44 21.962 7.035 -16.671 1.00 61.22 H new ATOM 0 HZ3 TRP A 44 21.998 7.742 -12.452 1.00 75.54 H new ATOM 0 HH2 TRP A 44 22.708 6.430 -14.410 1.00 41.32 H new ATOM 697 N ARG A 45 15.407 11.736 -14.281 1.00 70.54 N ATOM 698 CA ARG A 45 14.312 11.918 -13.337 1.00 15.01 C ATOM 699 C ARG A 45 14.550 11.109 -12.065 1.00 52.30 C ATOM 700 O ARG A 45 14.587 9.879 -12.097 1.00 2.23 O ATOM 701 CB ARG A 45 12.985 11.504 -13.976 1.00 14.31 C ATOM 702 CG ARG A 45 11.966 12.630 -14.046 1.00 75.25 C ATOM 703 CD ARG A 45 10.551 12.092 -14.194 1.00 32.12 C ATOM 704 NE ARG A 45 9.546 13.092 -13.844 1.00 12.12 N ATOM 705 CZ ARG A 45 8.239 12.902 -13.986 1.00 71.24 C ATOM 706 NH1 ARG A 45 7.781 11.755 -14.469 1.00 63.21 N ATOM 707 NH2 ARG A 45 7.387 13.860 -13.645 1.00 74.04 N ATOM 0 H ARG A 45 15.224 11.048 -15.012 1.00 70.54 H new ATOM 0 HA ARG A 45 14.266 12.974 -13.072 1.00 15.01 H new ATOM 0 HB2 ARG A 45 13.176 11.135 -14.984 1.00 14.31 H new ATOM 0 HB3 ARG A 45 12.561 10.676 -13.408 1.00 14.31 H new ATOM 0 HG2 ARG A 45 12.032 13.239 -13.144 1.00 75.25 H new ATOM 0 HG3 ARG A 45 12.199 13.281 -14.888 1.00 75.25 H new ATOM 0 HD2 ARG A 45 10.394 11.764 -15.221 1.00 32.12 H new ATOM 0 HD3 ARG A 45 10.428 11.216 -13.557 1.00 32.12 H new ATOM 0 HE ARG A 45 9.865 13.986 -13.470 1.00 12.12 H new ATOM 0 HH11 ARG A 45 8.433 11.016 -14.732 1.00 63.21 H new ATOM 0 HH12 ARG A 45 6.777 11.612 -14.577 1.00 63.21 H new ATOM 0 HH21 ARG A 45 7.735 14.744 -13.273 1.00 74.04 H new ATOM 0 HH22 ARG A 45 6.384 13.713 -13.755 1.00 74.04 H new ATOM 721 N VAL A 46 14.711 11.809 -10.946 1.00 41.14 N ATOM 722 CA VAL A 46 14.945 11.157 -9.664 1.00 23.24 C ATOM 723 C VAL A 46 14.002 11.694 -8.594 1.00 13.15 C ATOM 724 O VAL A 46 13.308 12.688 -8.807 1.00 4.23 O ATOM 725 CB VAL A 46 16.399 11.349 -9.194 1.00 25.34 C ATOM 726 CG1 VAL A 46 17.373 10.856 -10.253 1.00 71.24 C ATOM 727 CG2 VAL A 46 16.661 12.808 -8.855 1.00 43.51 C ATOM 0 H VAL A 46 14.684 12.828 -10.902 1.00 41.14 H new ATOM 0 HA VAL A 46 14.756 10.094 -9.811 1.00 23.24 H new ATOM 0 HB VAL A 46 16.551 10.757 -8.292 1.00 25.34 H new ATOM 0 HG11 VAL A 46 18.395 11.000 -9.903 1.00 71.24 H new ATOM 0 HG12 VAL A 46 17.200 9.796 -10.441 1.00 71.24 H new ATOM 0 HG13 VAL A 46 17.223 11.418 -11.175 1.00 71.24 H new ATOM 0 HG21 VAL A 46 17.693 12.925 -8.525 1.00 43.51 H new ATOM 0 HG22 VAL A 46 16.491 13.423 -9.739 1.00 43.51 H new ATOM 0 HG23 VAL A 46 15.987 13.123 -8.058 1.00 43.51 H new ATOM 737 N GLN A 47 13.982 11.030 -7.442 1.00 73.15 N ATOM 738 CA GLN A 47 13.122 11.441 -6.339 1.00 5.34 C ATOM 739 C GLN A 47 13.914 11.535 -5.038 1.00 60.53 C ATOM 740 O GLN A 47 14.721 10.658 -4.727 1.00 41.42 O ATOM 741 CB GLN A 47 11.962 10.458 -6.174 1.00 2.12 C ATOM 742 CG GLN A 47 11.124 10.709 -4.931 1.00 11.32 C ATOM 743 CD GLN A 47 9.764 10.043 -5.000 1.00 53.40 C ATOM 744 OE1 GLN A 47 8.717 10.802 -4.697 1.00 74.01 O flip ATOM 745 NE2 GLN A 47 9.655 8.860 -5.322 1.00 12.10 N flip ATOM 0 H GLN A 47 14.551 10.206 -7.249 1.00 73.15 H new ATOM 0 HA GLN A 47 12.721 12.428 -6.572 1.00 5.34 H new ATOM 0 HB2 GLN A 47 11.320 10.516 -7.053 1.00 2.12 H new ATOM 0 HB3 GLN A 47 12.359 9.444 -6.136 1.00 2.12 H new ATOM 0 HG2 GLN A 47 11.660 10.342 -4.056 1.00 11.32 H new ATOM 0 HG3 GLN A 47 10.992 11.783 -4.797 1.00 11.32 H new ATOM 0 HE21 GLN A 47 10.487 8.314 -5.547 1.00 12.10 H new ATOM 0 HE22 GLN A 47 8.733 8.426 -5.364 1.00 12.10 H new ATOM 754 N ASP A 48 13.678 12.601 -4.283 1.00 52.50 N ATOM 755 CA ASP A 48 14.368 12.809 -3.015 1.00 42.14 C ATOM 756 C ASP A 48 13.754 11.949 -1.915 1.00 44.11 C ATOM 757 O ASP A 48 12.877 11.125 -2.174 1.00 42.13 O ATOM 758 CB ASP A 48 14.314 14.285 -2.616 1.00 63.45 C ATOM 759 CG ASP A 48 12.899 14.827 -2.595 1.00 12.11 C ATOM 760 OD1 ASP A 48 11.960 14.029 -2.393 1.00 31.53 O ATOM 761 OD2 ASP A 48 12.730 16.050 -2.779 1.00 51.43 O ATOM 0 H ASP A 48 13.014 13.336 -4.527 1.00 52.50 H new ATOM 0 HA ASP A 48 15.409 12.514 -3.144 1.00 42.14 H new ATOM 0 HB2 ASP A 48 14.762 14.409 -1.630 1.00 63.45 H new ATOM 0 HB3 ASP A 48 14.914 14.869 -3.314 1.00 63.45 H new ATOM 766 N ARG A 49 14.222 12.146 -0.687 1.00 23.02 N ATOM 767 CA ARG A 49 13.721 11.387 0.452 1.00 20.15 C ATOM 768 C ARG A 49 12.601 12.144 1.160 1.00 51.01 C ATOM 769 O ARG A 49 12.340 11.924 2.342 1.00 75.34 O ATOM 770 CB ARG A 49 14.855 11.096 1.437 1.00 21.50 C ATOM 771 CG ARG A 49 16.025 10.350 0.815 1.00 33.15 C ATOM 772 CD ARG A 49 15.592 9.005 0.252 1.00 1.31 C ATOM 773 NE ARG A 49 15.163 8.085 1.301 1.00 21.45 N ATOM 774 CZ ARG A 49 16.003 7.459 2.119 1.00 51.12 C ATOM 775 NH1 ARG A 49 17.310 7.655 2.009 1.00 74.34 N ATOM 776 NH2 ARG A 49 15.536 6.636 3.049 1.00 11.21 N ATOM 0 H ARG A 49 14.947 12.825 -0.456 1.00 23.02 H new ATOM 0 HA ARG A 49 13.321 10.444 0.080 1.00 20.15 H new ATOM 0 HB2 ARG A 49 15.215 12.037 1.852 1.00 21.50 H new ATOM 0 HB3 ARG A 49 14.462 10.510 2.268 1.00 21.50 H new ATOM 0 HG2 ARG A 49 16.462 10.955 0.020 1.00 33.15 H new ATOM 0 HG3 ARG A 49 16.802 10.199 1.565 1.00 33.15 H new ATOM 0 HD2 ARG A 49 14.776 9.154 -0.455 1.00 1.31 H new ATOM 0 HD3 ARG A 49 16.418 8.562 -0.303 1.00 1.31 H new ATOM 0 HE ARG A 49 14.164 7.913 1.412 1.00 21.45 H new ATOM 0 HH11 ARG A 49 17.673 8.287 1.295 1.00 74.34 H new ATOM 0 HH12 ARG A 49 17.953 7.173 2.638 1.00 74.34 H new ATOM 0 HH21 ARG A 49 14.531 6.483 3.137 1.00 11.21 H new ATOM 0 HH22 ARG A 49 16.182 6.156 3.676 1.00 11.21 H new ATOM 790 N ASN A 50 11.943 13.037 0.428 1.00 43.42 N ATOM 791 CA ASN A 50 10.852 13.828 0.985 1.00 1.23 C ATOM 792 C ASN A 50 9.538 13.518 0.276 1.00 73.14 C ATOM 793 O ASN A 50 8.459 13.677 0.846 1.00 24.12 O ATOM 794 CB ASN A 50 11.166 15.321 0.871 1.00 3.20 C ATOM 795 CG ASN A 50 12.525 15.672 1.446 1.00 61.20 C ATOM 796 OD1 ASN A 50 13.577 15.418 0.676 1.00 33.13 O flip ATOM 797 ND2 ASN A 50 12.628 16.165 2.569 1.00 54.24 N flip ATOM 0 H ASN A 50 12.146 13.231 -0.553 1.00 43.42 H new ATOM 0 HA ASN A 50 10.747 13.565 2.038 1.00 1.23 H new ATOM 0 HB2 ASN A 50 11.130 15.618 -0.177 1.00 3.20 H new ATOM 0 HB3 ASN A 50 10.396 15.892 1.390 1.00 3.20 H new ATOM 0 HD21 ASN A 50 11.793 16.343 3.126 1.00 54.24 H new ATOM 0 HD22 ASN A 50 13.549 16.395 2.942 1.00 54.24 H new ATOM 804 N GLY A 51 9.636 13.073 -0.974 1.00 3.34 N ATOM 805 CA GLY A 51 8.448 12.747 -1.741 1.00 4.11 C ATOM 806 C GLY A 51 8.303 13.610 -2.979 1.00 31.41 C ATOM 807 O GLY A 51 7.209 13.738 -3.530 1.00 63.43 O ATOM 0 H GLY A 51 10.517 12.933 -1.468 1.00 3.34 H new ATOM 0 HA2 GLY A 51 8.486 11.698 -2.035 1.00 4.11 H new ATOM 0 HA3 GLY A 51 7.567 12.870 -1.111 1.00 4.11 H new ATOM 811 N HIS A 52 9.408 14.205 -3.417 1.00 31.21 N ATOM 812 CA HIS A 52 9.398 15.061 -4.598 1.00 3.24 C ATOM 813 C HIS A 52 10.322 14.507 -5.678 1.00 72.02 C ATOM 814 O HIS A 52 11.385 13.965 -5.380 1.00 24.02 O ATOM 815 CB HIS A 52 9.824 16.482 -4.226 1.00 54.14 C ATOM 816 CG HIS A 52 9.181 16.991 -2.973 1.00 2.51 C ATOM 817 ND1 HIS A 52 9.867 17.150 -1.787 1.00 14.20 N ATOM 818 CD2 HIS A 52 7.909 17.380 -2.725 1.00 54.33 C ATOM 819 CE1 HIS A 52 9.043 17.613 -0.864 1.00 11.04 C ATOM 820 NE2 HIS A 52 7.848 17.762 -1.408 1.00 25.25 N ATOM 0 H HIS A 52 10.321 14.110 -2.972 1.00 31.21 H new ATOM 0 HA HIS A 52 8.382 15.085 -4.991 1.00 3.24 H new ATOM 0 HB2 HIS A 52 10.907 16.508 -4.105 1.00 54.14 H new ATOM 0 HB3 HIS A 52 9.579 17.153 -5.049 1.00 54.14 H new ATOM 0 HD2 HIS A 52 7.093 17.388 -3.432 1.00 54.33 H new ATOM 0 HE1 HIS A 52 9.302 17.832 0.161 1.00 11.04 H new ATOM 0 HE2 HIS A 52 7.016 18.105 -0.928 1.00 25.25 H new ATOM 828 N GLU A 53 9.907 14.647 -6.933 1.00 72.44 N ATOM 829 CA GLU A 53 10.697 14.158 -8.057 1.00 51.03 C ATOM 830 C GLU A 53 10.999 15.285 -9.041 1.00 3.14 C ATOM 831 O GLU A 53 10.166 16.159 -9.276 1.00 74.40 O ATOM 832 CB GLU A 53 9.959 13.025 -8.774 1.00 50.41 C ATOM 833 CG GLU A 53 9.335 12.012 -7.830 1.00 15.24 C ATOM 834 CD GLU A 53 7.872 12.300 -7.550 1.00 22.45 C ATOM 835 OE1 GLU A 53 7.029 11.987 -8.416 1.00 1.02 O ATOM 836 OE2 GLU A 53 7.571 12.837 -6.463 1.00 45.20 O ATOM 0 H GLU A 53 9.029 15.095 -7.197 1.00 72.44 H new ATOM 0 HA GLU A 53 11.640 13.777 -7.666 1.00 51.03 H new ATOM 0 HB2 GLU A 53 9.178 13.452 -9.403 1.00 50.41 H new ATOM 0 HB3 GLU A 53 10.656 12.511 -9.436 1.00 50.41 H new ATOM 0 HG2 GLU A 53 9.430 11.015 -8.259 1.00 15.24 H new ATOM 0 HG3 GLU A 53 9.887 12.008 -6.890 1.00 15.24 H new ATOM 843 N GLY A 54 12.200 15.258 -9.612 1.00 12.32 N ATOM 844 CA GLY A 54 12.592 16.282 -10.562 1.00 41.52 C ATOM 845 C GLY A 54 13.674 15.808 -11.512 1.00 2.21 C ATOM 846 O GLY A 54 14.101 14.655 -11.451 1.00 61.15 O ATOM 0 H GLY A 54 12.908 14.545 -9.433 1.00 12.32 H new ATOM 0 HA2 GLY A 54 11.720 16.594 -11.136 1.00 41.52 H new ATOM 0 HA3 GLY A 54 12.947 17.159 -10.021 1.00 41.52 H new ATOM 850 N TYR A 55 14.118 16.698 -12.392 1.00 51.42 N ATOM 851 CA TYR A 55 15.154 16.363 -13.362 1.00 10.41 C ATOM 852 C TYR A 55 16.528 16.801 -12.864 1.00 41.43 C ATOM 853 O TYR A 55 16.673 17.864 -12.261 1.00 10.45 O ATOM 854 CB TYR A 55 14.853 17.022 -14.709 1.00 43.32 C ATOM 855 CG TYR A 55 13.577 16.529 -15.353 1.00 42.11 C ATOM 856 CD1 TYR A 55 12.340 17.018 -14.952 1.00 51.24 C ATOM 857 CD2 TYR A 55 13.609 15.573 -16.361 1.00 55.50 C ATOM 858 CE1 TYR A 55 11.171 16.570 -15.537 1.00 42.12 C ATOM 859 CE2 TYR A 55 12.445 15.121 -16.953 1.00 22.35 C ATOM 860 CZ TYR A 55 11.229 15.622 -16.537 1.00 61.21 C ATOM 861 OH TYR A 55 10.068 15.172 -17.123 1.00 11.32 O ATOM 0 H TYR A 55 13.777 17.657 -12.454 1.00 51.42 H new ATOM 0 HA TYR A 55 15.162 15.280 -13.489 1.00 10.41 H new ATOM 0 HB2 TYR A 55 14.786 18.101 -14.569 1.00 43.32 H new ATOM 0 HB3 TYR A 55 15.686 16.840 -15.387 1.00 43.32 H new ATOM 0 HD1 TYR A 55 12.291 17.761 -14.170 1.00 51.24 H new ATOM 0 HD2 TYR A 55 14.559 15.177 -16.687 1.00 55.50 H new ATOM 0 HE1 TYR A 55 10.217 16.960 -15.213 1.00 42.12 H new ATOM 0 HE2 TYR A 55 12.487 14.380 -17.737 1.00 22.35 H new ATOM 0 HH TYR A 55 10.285 14.507 -17.810 1.00 11.32 H new ATOM 871 N VAL A 56 17.535 15.974 -13.123 1.00 65.42 N ATOM 872 CA VAL A 56 18.899 16.275 -12.704 1.00 62.51 C ATOM 873 C VAL A 56 19.916 15.623 -13.634 1.00 63.12 C ATOM 874 O VAL A 56 19.635 14.628 -14.302 1.00 65.41 O ATOM 875 CB VAL A 56 19.161 15.800 -11.262 1.00 52.32 C ATOM 876 CG1 VAL A 56 18.533 16.759 -10.262 1.00 42.53 C ATOM 877 CG2 VAL A 56 18.633 14.388 -11.062 1.00 74.23 C ATOM 0 H VAL A 56 17.432 15.090 -13.621 1.00 65.42 H new ATOM 0 HA VAL A 56 19.012 17.358 -12.748 1.00 62.51 H new ATOM 0 HB VAL A 56 20.238 15.788 -11.092 1.00 52.32 H new ATOM 0 HG11 VAL A 56 18.728 16.408 -9.249 1.00 42.53 H new ATOM 0 HG12 VAL A 56 18.963 17.752 -10.391 1.00 42.53 H new ATOM 0 HG13 VAL A 56 17.457 16.805 -10.429 1.00 42.53 H new ATOM 0 HG21 VAL A 56 18.827 14.069 -10.038 1.00 74.23 H new ATOM 0 HG22 VAL A 56 17.560 14.371 -11.251 1.00 74.23 H new ATOM 0 HG23 VAL A 56 19.134 13.711 -11.754 1.00 74.23 H new ATOM 887 N PRO A 57 21.128 16.196 -13.680 1.00 22.10 N ATOM 888 CA PRO A 57 22.213 15.687 -14.524 1.00 61.22 C ATOM 889 C PRO A 57 22.755 14.351 -14.028 1.00 65.21 C ATOM 890 O PRO A 57 23.060 14.194 -12.846 1.00 11.13 O ATOM 891 CB PRO A 57 23.286 16.773 -14.416 1.00 63.10 C ATOM 892 CG PRO A 57 23.023 17.437 -13.109 1.00 14.11 C ATOM 893 CD PRO A 57 21.533 17.385 -12.911 1.00 31.53 C ATOM 0 HA PRO A 57 21.881 15.497 -15.545 1.00 61.22 H new ATOM 0 HB2 PRO A 57 24.288 16.344 -14.448 1.00 63.10 H new ATOM 0 HB3 PRO A 57 23.216 17.482 -15.241 1.00 63.10 H new ATOM 0 HG2 PRO A 57 23.542 16.924 -12.299 1.00 14.11 H new ATOM 0 HG3 PRO A 57 23.380 18.467 -13.115 1.00 14.11 H new ATOM 0 HD2 PRO A 57 21.271 17.291 -11.857 1.00 31.53 H new ATOM 0 HD3 PRO A 57 21.047 18.288 -13.281 1.00 31.53 H new ATOM 901 N SER A 58 22.874 13.390 -14.939 1.00 42.43 N ATOM 902 CA SER A 58 23.377 12.066 -14.593 1.00 40.11 C ATOM 903 C SER A 58 24.882 12.104 -14.345 1.00 51.20 C ATOM 904 O SER A 58 25.414 11.315 -13.564 1.00 14.31 O ATOM 905 CB SER A 58 23.058 11.069 -15.708 1.00 74.52 C ATOM 906 OG SER A 58 24.130 10.973 -16.630 1.00 20.15 O ATOM 0 H SER A 58 22.629 13.504 -15.922 1.00 42.43 H new ATOM 0 HA SER A 58 22.883 11.745 -13.676 1.00 40.11 H new ATOM 0 HB2 SER A 58 22.857 10.088 -15.276 1.00 74.52 H new ATOM 0 HB3 SER A 58 22.153 11.380 -16.230 1.00 74.52 H new ATOM 0 HG SER A 58 23.973 10.220 -17.237 1.00 20.15 H new ATOM 912 N SER A 59 25.563 13.028 -15.016 1.00 73.32 N ATOM 913 CA SER A 59 27.007 13.167 -14.873 1.00 1.55 C ATOM 914 C SER A 59 27.388 13.401 -13.414 1.00 31.03 C ATOM 915 O SER A 59 28.514 13.122 -13.002 1.00 43.11 O ATOM 916 CB SER A 59 27.517 14.323 -15.736 1.00 23.12 C ATOM 917 OG SER A 59 28.412 15.147 -15.008 1.00 60.44 O ATOM 0 H SER A 59 25.138 13.691 -15.664 1.00 73.32 H new ATOM 0 HA SER A 59 27.472 12.240 -15.208 1.00 1.55 H new ATOM 0 HB2 SER A 59 28.018 13.928 -16.619 1.00 23.12 H new ATOM 0 HB3 SER A 59 26.674 14.918 -16.087 1.00 23.12 H new ATOM 0 HG SER A 59 27.902 15.795 -14.478 1.00 60.44 H new ATOM 923 N TYR A 60 26.441 13.914 -12.637 1.00 13.52 N ATOM 924 CA TYR A 60 26.676 14.188 -11.224 1.00 41.42 C ATOM 925 C TYR A 60 25.955 13.172 -10.344 1.00 54.05 C ATOM 926 O TYR A 60 25.691 13.427 -9.169 1.00 32.04 O ATOM 927 CB TYR A 60 26.213 15.603 -10.873 1.00 55.34 C ATOM 928 CG TYR A 60 26.933 16.685 -11.646 1.00 12.43 C ATOM 929 CD1 TYR A 60 26.717 16.855 -13.008 1.00 0.34 C ATOM 930 CD2 TYR A 60 27.828 17.539 -11.013 1.00 24.32 C ATOM 931 CE1 TYR A 60 27.374 17.842 -13.717 1.00 55.21 C ATOM 932 CE2 TYR A 60 28.488 18.529 -11.714 1.00 43.31 C ATOM 933 CZ TYR A 60 28.258 18.677 -13.066 1.00 71.30 C ATOM 934 OH TYR A 60 28.913 19.662 -13.769 1.00 32.10 O ATOM 0 H TYR A 60 25.503 14.149 -12.962 1.00 13.52 H new ATOM 0 HA TYR A 60 27.747 14.107 -11.038 1.00 41.42 H new ATOM 0 HB2 TYR A 60 25.143 15.684 -11.063 1.00 55.34 H new ATOM 0 HB3 TYR A 60 26.361 15.771 -9.806 1.00 55.34 H new ATOM 0 HD1 TYR A 60 26.024 16.205 -13.521 1.00 0.34 H new ATOM 0 HD2 TYR A 60 28.011 17.427 -9.955 1.00 24.32 H new ATOM 0 HE1 TYR A 60 27.196 17.959 -14.776 1.00 55.21 H new ATOM 0 HE2 TYR A 60 29.181 19.184 -11.206 1.00 43.31 H new ATOM 0 HH TYR A 60 29.498 20.162 -13.163 1.00 32.10 H new ATOM 944 N LEU A 61 25.638 12.018 -10.922 1.00 44.44 N ATOM 945 CA LEU A 61 24.948 10.961 -10.192 1.00 73.04 C ATOM 946 C LEU A 61 25.547 9.596 -10.515 1.00 74.22 C ATOM 947 O LEU A 61 25.780 9.268 -11.679 1.00 20.14 O ATOM 948 CB LEU A 61 23.456 10.970 -10.532 1.00 64.34 C ATOM 949 CG LEU A 61 22.611 12.024 -9.817 1.00 31.33 C ATOM 950 CD1 LEU A 61 21.259 12.176 -10.497 1.00 44.02 C ATOM 951 CD2 LEU A 61 22.434 11.659 -8.350 1.00 15.20 C ATOM 0 H LEU A 61 25.848 11.791 -11.894 1.00 44.44 H new ATOM 0 HA LEU A 61 25.072 11.148 -9.125 1.00 73.04 H new ATOM 0 HB2 LEU A 61 23.350 11.116 -11.607 1.00 64.34 H new ATOM 0 HB3 LEU A 61 23.045 9.987 -10.302 1.00 64.34 H new ATOM 0 HG LEU A 61 23.132 12.980 -9.873 1.00 31.33 H new ATOM 0 HD11 LEU A 61 20.671 12.931 -9.974 1.00 44.02 H new ATOM 0 HD12 LEU A 61 21.405 12.483 -11.533 1.00 44.02 H new ATOM 0 HD13 LEU A 61 20.730 11.223 -10.472 1.00 44.02 H new ATOM 0 HD21 LEU A 61 21.830 12.420 -7.856 1.00 15.20 H new ATOM 0 HD22 LEU A 61 21.935 10.693 -8.273 1.00 15.20 H new ATOM 0 HD23 LEU A 61 23.410 11.602 -7.869 1.00 15.20 H new ATOM 963 N VAL A 62 25.791 8.802 -9.477 1.00 44.22 N ATOM 964 CA VAL A 62 26.360 7.471 -9.650 1.00 72.32 C ATOM 965 C VAL A 62 25.351 6.390 -9.277 1.00 25.04 C ATOM 966 O VAL A 62 24.662 6.495 -8.263 1.00 53.21 O ATOM 967 CB VAL A 62 27.631 7.288 -8.799 1.00 55.12 C ATOM 968 CG1 VAL A 62 27.276 7.199 -7.323 1.00 3.14 C ATOM 969 CG2 VAL A 62 28.398 6.054 -9.247 1.00 63.51 C ATOM 0 H VAL A 62 25.603 9.058 -8.508 1.00 44.22 H new ATOM 0 HA VAL A 62 26.621 7.373 -10.704 1.00 72.32 H new ATOM 0 HB VAL A 62 28.272 8.158 -8.942 1.00 55.12 H new ATOM 0 HG11 VAL A 62 28.186 7.070 -6.737 1.00 3.14 H new ATOM 0 HG12 VAL A 62 26.772 8.115 -7.014 1.00 3.14 H new ATOM 0 HG13 VAL A 62 26.615 6.348 -7.158 1.00 3.14 H new ATOM 0 HG21 VAL A 62 29.293 5.940 -8.635 1.00 63.51 H new ATOM 0 HG22 VAL A 62 27.767 5.173 -9.135 1.00 63.51 H new ATOM 0 HG23 VAL A 62 28.685 6.164 -10.293 1.00 63.51 H new ATOM 979 N GLU A 63 25.272 5.351 -10.102 1.00 44.13 N ATOM 980 CA GLU A 63 24.347 4.251 -9.858 1.00 24.31 C ATOM 981 C GLU A 63 24.702 3.519 -8.567 1.00 35.15 C ATOM 982 O GLU A 63 25.766 2.911 -8.456 1.00 24.15 O ATOM 983 CB GLU A 63 24.364 3.271 -11.033 1.00 73.11 C ATOM 984 CG GLU A 63 23.063 3.240 -11.818 1.00 31.22 C ATOM 985 CD GLU A 63 23.252 2.756 -13.242 1.00 44.45 C ATOM 986 OE1 GLU A 63 24.136 3.296 -13.940 1.00 42.11 O ATOM 987 OE2 GLU A 63 22.516 1.838 -13.659 1.00 62.43 O ATOM 0 H GLU A 63 25.837 5.248 -10.945 1.00 44.13 H new ATOM 0 HA GLU A 63 23.345 4.668 -9.756 1.00 24.31 H new ATOM 0 HB2 GLU A 63 25.179 3.538 -11.706 1.00 73.11 H new ATOM 0 HB3 GLU A 63 24.576 2.270 -10.657 1.00 73.11 H new ATOM 0 HG2 GLU A 63 22.351 2.590 -11.309 1.00 31.22 H new ATOM 0 HG3 GLU A 63 22.628 4.239 -11.833 1.00 31.22 H new ATOM 994 N LYS A 64 23.801 3.583 -7.591 1.00 61.45 N ATOM 995 CA LYS A 64 24.016 2.927 -6.307 1.00 73.41 C ATOM 996 C LYS A 64 23.876 1.413 -6.439 1.00 44.41 C ATOM 997 O LYS A 64 22.784 0.866 -6.293 1.00 15.11 O ATOM 998 CB LYS A 64 23.021 3.453 -5.270 1.00 71.50 C ATOM 999 CG LYS A 64 23.238 2.886 -3.877 1.00 55.15 C ATOM 1000 CD LYS A 64 22.993 3.934 -2.805 1.00 1.21 C ATOM 1001 CE LYS A 64 23.016 3.323 -1.412 1.00 72.44 C ATOM 1002 NZ LYS A 64 21.727 2.655 -1.079 1.00 23.32 N ATOM 0 H LYS A 64 22.915 4.083 -7.666 1.00 61.45 H new ATOM 0 HA LYS A 64 25.030 3.153 -5.977 1.00 73.41 H new ATOM 0 HB2 LYS A 64 23.095 4.540 -5.226 1.00 71.50 H new ATOM 0 HB3 LYS A 64 22.009 3.215 -5.597 1.00 71.50 H new ATOM 0 HG2 LYS A 64 22.570 2.040 -3.719 1.00 55.15 H new ATOM 0 HG3 LYS A 64 24.257 2.508 -3.792 1.00 55.15 H new ATOM 0 HD2 LYS A 64 23.753 4.712 -2.875 1.00 1.21 H new ATOM 0 HD3 LYS A 64 22.029 4.414 -2.977 1.00 1.21 H new ATOM 0 HE2 LYS A 64 23.828 2.599 -1.346 1.00 72.44 H new ATOM 0 HE3 LYS A 64 23.222 4.101 -0.677 1.00 72.44 H new ATOM 0 HZ1 LYS A 64 21.886 1.943 -0.338 1.00 23.32 H new ATOM 0 HZ2 LYS A 64 21.047 3.364 -0.737 1.00 23.32 H new ATOM 0 HZ3 LYS A 64 21.346 2.192 -1.929 1.00 23.32 H new ATOM 1016 N SER A 65 24.990 0.743 -6.715 1.00 24.22 N ATOM 1017 CA SER A 65 24.992 -0.707 -6.869 1.00 34.35 C ATOM 1018 C SER A 65 26.086 -1.343 -6.016 1.00 72.04 C ATOM 1019 O SER A 65 27.105 -1.816 -6.520 1.00 52.24 O ATOM 1020 CB SER A 65 25.189 -1.085 -8.338 1.00 22.53 C ATOM 1021 OG SER A 65 26.312 -0.419 -8.889 1.00 74.13 O ATOM 0 H SER A 65 25.903 1.181 -6.837 1.00 24.22 H new ATOM 0 HA SER A 65 24.027 -1.085 -6.531 1.00 34.35 H new ATOM 0 HB2 SER A 65 25.323 -2.163 -8.425 1.00 22.53 H new ATOM 0 HB3 SER A 65 24.295 -0.828 -8.906 1.00 22.53 H new ATOM 0 HG SER A 65 27.122 -0.690 -8.408 1.00 74.13 H new ATOM 1027 N PRO A 66 25.871 -1.355 -4.692 1.00 63.44 N ATOM 1028 CA PRO A 66 26.827 -1.930 -3.741 1.00 20.20 C ATOM 1029 C PRO A 66 26.903 -3.450 -3.842 1.00 15.22 C ATOM 1030 O PRO A 66 26.865 -4.011 -4.936 1.00 71.55 O ATOM 1031 CB PRO A 66 26.267 -1.512 -2.379 1.00 40.32 C ATOM 1032 CG PRO A 66 24.809 -1.317 -2.613 1.00 34.42 C ATOM 1033 CD PRO A 66 24.679 -0.810 -4.022 1.00 41.43 C ATOM 0 HA PRO A 66 27.844 -1.582 -3.925 1.00 20.20 H new ATOM 0 HB2 PRO A 66 26.448 -2.278 -1.625 1.00 40.32 H new ATOM 0 HB3 PRO A 66 26.737 -0.595 -2.022 1.00 40.32 H new ATOM 0 HG2 PRO A 66 24.265 -2.252 -2.483 1.00 34.42 H new ATOM 0 HG3 PRO A 66 24.392 -0.604 -1.902 1.00 34.42 H new ATOM 0 HD2 PRO A 66 23.759 -1.159 -4.491 1.00 41.43 H new ATOM 0 HD3 PRO A 66 24.661 0.279 -4.057 1.00 41.43 H new TER 1041 PRO A 66