USER MOD reduce.3.24.130724 H: found=0, std=0, add=923, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 918 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 39 MET CE :methyl 159:sc= -0.959 (180deg=-1.6) USER MOD Set 1.2: A 102 THR OG1 : rot 180:sc= -0.0645 USER MOD Set 2.1: A 93 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 94 THR OG1 : rot -170:sc= 0.666 USER MOD Set 2.3: A 97 THR OG1 : rot -77:sc= 0.988 USER MOD Set 3.1: A 26 THR OG1 : rot -46:sc= 1.34 USER MOD Set 3.2: A 51 SER OG : rot 59:sc= 0.0428 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 132:sc= 1.22 (180deg=-0.0167) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 GLN : amide:sc= -1.15 K(o=-1.1,f=-3.1!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.137 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.179 X(o=-0.18,f=-0.095) USER MOD Single : A 19 SER OG : rot -70:sc= 0.0363 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot -34:sc= 0.335 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0342 USER MOD Single : A 29 ASN : amide:sc= 0.963 K(o=0.96,f=-7.4!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0131 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= 1.02 K(o=1,f=-3.1!) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0625 USER MOD Single : A 43 THR OG1 : rot 77:sc= 1.19 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 10:sc= 0.326 USER MOD Single : A 59 ASN : amide:sc= -0.0581 X(o=-0.058,f=-0.0024) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 HIS : no HE2:sc= 0.596 K(o=0.6,f=-5.7!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 62:sc= 1.29 USER MOD Single : A 73 SER OG : rot 180:sc= 0.146 USER MOD Single : A 75 LYS NZ :NH3+ -167:sc= -0.0017 (180deg=-0.102) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.0576 X(o=-0.058,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 169:sc= 1.43 (180deg=1.32) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 90 ASN : amide:sc= 0.66 K(o=0.66,f=-0.74) USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0.0091) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0365 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 ASN : amide:sc= 1.24 K(o=1.2,f=-5.5!) USER MOD Single : A 104 CYS SG : rot 126:sc= 0.165 USER MOD Single : A 107 CYS SG : rot -37:sc= 0.0197 USER MOD Single : A 110 SER OG : rot -73:sc= 0.0936 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 73:sc= 0.733 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -13.760 -22.338 -5.487 1.00 0.00 N ATOM 2 CA MET A 1 -14.699 -21.207 -5.516 1.00 0.00 C ATOM 3 C MET A 1 -14.580 -20.461 -4.196 1.00 0.00 C ATOM 4 O MET A 1 -14.475 -21.107 -3.151 1.00 0.00 O ATOM 5 CB MET A 1 -16.151 -21.652 -5.748 1.00 0.00 C ATOM 6 CG MET A 1 -16.359 -22.477 -7.020 1.00 0.00 C ATOM 7 SD MET A 1 -15.918 -24.231 -6.866 1.00 0.00 S ATOM 8 CE MET A 1 -17.437 -24.871 -6.110 1.00 0.00 C ATOM 0 H1 MET A 1 -14.248 -23.202 -5.797 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.962 -22.143 -6.125 1.00 0.00 H new ATOM 0 H3 MET A 1 -13.405 -22.470 -4.518 1.00 0.00 H new ATOM 0 HA MET A 1 -14.439 -20.560 -6.354 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.481 -22.238 -4.890 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.787 -20.768 -5.794 1.00 0.00 H new ATOM 0 HG2 MET A 1 -17.405 -22.404 -7.317 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.768 -22.037 -7.823 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.337 -25.944 -5.945 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.607 -24.371 -5.156 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.281 -24.683 -6.774 1.00 0.00 H new ATOM 18 N TYR A 2 -14.605 -19.129 -4.209 1.00 0.00 N ATOM 19 CA TYR A 2 -14.538 -18.288 -3.020 1.00 0.00 C ATOM 20 C TYR A 2 -15.682 -17.275 -3.070 1.00 0.00 C ATOM 21 O TYR A 2 -15.782 -16.480 -4.007 1.00 0.00 O ATOM 22 CB TYR A 2 -13.162 -17.618 -2.945 1.00 0.00 C ATOM 23 CG TYR A 2 -13.049 -16.432 -1.999 1.00 0.00 C ATOM 24 CD1 TYR A 2 -13.484 -16.512 -0.658 1.00 0.00 C ATOM 25 CD2 TYR A 2 -12.458 -15.241 -2.466 1.00 0.00 C ATOM 26 CE1 TYR A 2 -13.330 -15.404 0.196 1.00 0.00 C ATOM 27 CE2 TYR A 2 -12.329 -14.124 -1.624 1.00 0.00 C ATOM 28 CZ TYR A 2 -12.783 -14.196 -0.290 1.00 0.00 C ATOM 29 OH TYR A 2 -12.719 -13.093 0.505 1.00 0.00 O ATOM 0 H TYR A 2 -14.674 -18.592 -5.073 1.00 0.00 H new ATOM 0 HA TYR A 2 -14.656 -18.881 -2.113 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -12.430 -18.368 -2.645 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -12.886 -17.287 -3.946 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -13.934 -17.422 -0.288 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -12.100 -15.186 -3.483 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -13.632 -15.478 1.230 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -11.884 -13.213 -1.996 1.00 0.00 H new ATOM 0 HH TYR A 2 -12.312 -12.354 0.007 1.00 0.00 H new ATOM 39 N THR A 3 -16.580 -17.372 -2.097 1.00 0.00 N ATOM 40 CA THR A 3 -17.771 -16.556 -1.882 1.00 0.00 C ATOM 41 C THR A 3 -17.937 -16.286 -0.366 1.00 0.00 C ATOM 42 O THR A 3 -18.924 -15.693 0.075 1.00 0.00 O ATOM 43 CB THR A 3 -18.947 -17.276 -2.586 1.00 0.00 C ATOM 44 OG1 THR A 3 -18.836 -17.061 -3.987 1.00 0.00 O ATOM 45 CG2 THR A 3 -20.363 -16.837 -2.236 1.00 0.00 C ATOM 0 H THR A 3 -16.486 -18.086 -1.375 1.00 0.00 H new ATOM 0 HA THR A 3 -17.712 -15.561 -2.323 1.00 0.00 H new ATOM 0 HB THR A 3 -18.842 -18.305 -2.243 1.00 0.00 H new ATOM 0 HG1 THR A 3 -19.574 -17.513 -4.447 1.00 0.00 H new ATOM 0 HG21 THR A 3 -21.079 -17.429 -2.806 1.00 0.00 H new ATOM 0 HG22 THR A 3 -20.537 -16.985 -1.170 1.00 0.00 H new ATOM 0 HG23 THR A 3 -20.488 -15.782 -2.481 1.00 0.00 H new ATOM 53 N GLU A 4 -16.943 -16.665 0.443 1.00 0.00 N ATOM 54 CA GLU A 4 -16.814 -16.185 1.811 1.00 0.00 C ATOM 55 C GLU A 4 -16.516 -14.680 1.777 1.00 0.00 C ATOM 56 O GLU A 4 -16.000 -14.162 0.783 1.00 0.00 O ATOM 57 CB GLU A 4 -15.721 -16.977 2.552 1.00 0.00 C ATOM 58 CG GLU A 4 -16.270 -18.138 3.384 1.00 0.00 C ATOM 59 CD GLU A 4 -17.235 -19.033 2.602 1.00 0.00 C ATOM 60 OE1 GLU A 4 -16.824 -19.623 1.577 1.00 0.00 O ATOM 61 OE2 GLU A 4 -18.413 -19.118 3.019 1.00 0.00 O ATOM 0 H GLU A 4 -16.208 -17.314 0.162 1.00 0.00 H new ATOM 0 HA GLU A 4 -17.743 -16.341 2.359 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -15.008 -17.366 1.825 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.172 -16.299 3.205 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -15.438 -18.741 3.748 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -16.782 -17.739 4.260 1.00 0.00 H new ATOM 68 N GLN A 5 -16.829 -13.976 2.862 1.00 0.00 N ATOM 69 CA GLN A 5 -16.668 -12.534 2.917 1.00 0.00 C ATOM 70 C GLN A 5 -15.171 -12.188 3.022 1.00 0.00 C ATOM 71 O GLN A 5 -14.368 -13.004 3.497 1.00 0.00 O ATOM 72 CB GLN A 5 -17.514 -12.014 4.100 1.00 0.00 C ATOM 73 CG GLN A 5 -17.966 -10.543 4.049 1.00 0.00 C ATOM 74 CD GLN A 5 -18.894 -10.197 2.871 1.00 0.00 C ATOM 75 OE1 GLN A 5 -19.153 -11.005 1.987 1.00 0.00 O ATOM 76 NE2 GLN A 5 -19.394 -8.976 2.805 1.00 0.00 N ATOM 0 H GLN A 5 -17.198 -14.389 3.719 1.00 0.00 H new ATOM 0 HA GLN A 5 -17.024 -12.043 2.011 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -18.404 -12.638 4.179 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -16.940 -12.160 5.015 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -18.478 -10.302 4.980 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -17.082 -9.907 3.997 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -19.183 -8.298 3.537 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -19.991 -8.711 2.022 1.00 0.00 H new ATOM 85 N PRO A 6 -14.745 -10.996 2.580 1.00 0.00 N ATOM 86 CA PRO A 6 -13.419 -10.475 2.872 1.00 0.00 C ATOM 87 C PRO A 6 -13.278 -10.024 4.304 1.00 0.00 C ATOM 88 O PRO A 6 -14.245 -9.969 5.072 1.00 0.00 O ATOM 89 CB PRO A 6 -13.232 -9.331 1.874 1.00 0.00 C ATOM 90 CG PRO A 6 -14.646 -8.796 1.686 1.00 0.00 C ATOM 91 CD PRO A 6 -15.451 -10.093 1.679 1.00 0.00 C ATOM 0 HA PRO A 6 -12.648 -11.238 2.765 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -12.560 -8.565 2.261 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -12.807 -9.683 0.934 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -14.945 -8.129 2.495 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -14.755 -8.238 0.756 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -16.473 -9.922 2.017 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -15.513 -10.511 0.674 1.00 0.00 H new ATOM 99 N ILE A 7 -12.036 -9.693 4.647 1.00 0.00 N ATOM 100 CA ILE A 7 -11.746 -8.944 5.839 1.00 0.00 C ATOM 101 C ILE A 7 -12.177 -7.520 5.561 1.00 0.00 C ATOM 102 O ILE A 7 -11.357 -6.698 5.187 1.00 0.00 O ATOM 103 CB ILE A 7 -10.273 -9.085 6.297 1.00 0.00 C ATOM 104 CG1 ILE A 7 -9.894 -10.568 6.500 1.00 0.00 C ATOM 105 CG2 ILE A 7 -10.028 -8.308 7.606 1.00 0.00 C ATOM 106 CD1 ILE A 7 -8.430 -10.775 6.909 1.00 0.00 C ATOM 0 H ILE A 7 -11.212 -9.942 4.099 1.00 0.00 H new ATOM 0 HA ILE A 7 -12.299 -9.335 6.693 1.00 0.00 H new ATOM 0 HB ILE A 7 -9.645 -8.665 5.511 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -10.541 -10.999 7.264 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -10.085 -11.113 5.576 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -8.987 -8.422 7.907 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -10.246 -7.252 7.448 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -10.677 -8.700 8.389 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -8.234 -11.840 7.034 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -7.776 -10.374 6.135 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -8.238 -10.258 7.849 1.00 0.00 H new ATOM 118 N ASP A 8 -13.473 -7.242 5.712 1.00 0.00 N ATOM 119 CA ASP A 8 -14.080 -5.908 5.729 1.00 0.00 C ATOM 120 C ASP A 8 -13.688 -5.030 4.532 1.00 0.00 C ATOM 121 O ASP A 8 -13.746 -3.800 4.597 1.00 0.00 O ATOM 122 CB ASP A 8 -13.738 -5.233 7.069 1.00 0.00 C ATOM 123 CG ASP A 8 -14.465 -5.795 8.287 1.00 0.00 C ATOM 124 OD1 ASP A 8 -15.522 -6.437 8.124 1.00 0.00 O ATOM 125 OD2 ASP A 8 -13.949 -5.551 9.402 1.00 0.00 O ATOM 0 H ASP A 8 -14.166 -7.981 5.832 1.00 0.00 H new ATOM 0 HA ASP A 8 -15.159 -6.029 5.633 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -12.664 -5.318 7.236 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.965 -4.170 6.990 1.00 0.00 H new ATOM 130 N LEU A 9 -13.231 -5.662 3.456 1.00 0.00 N ATOM 131 CA LEU A 9 -12.431 -5.035 2.423 1.00 0.00 C ATOM 132 C LEU A 9 -13.380 -4.506 1.365 1.00 0.00 C ATOM 133 O LEU A 9 -14.370 -5.159 1.022 1.00 0.00 O ATOM 134 CB LEU A 9 -11.434 -6.061 1.858 1.00 0.00 C ATOM 135 CG LEU A 9 -10.027 -5.502 1.606 1.00 0.00 C ATOM 136 CD1 LEU A 9 -9.137 -6.631 1.116 1.00 0.00 C ATOM 137 CD2 LEU A 9 -9.951 -4.453 0.511 1.00 0.00 C ATOM 0 H LEU A 9 -13.414 -6.650 3.279 1.00 0.00 H new ATOM 0 HA LEU A 9 -11.844 -4.203 2.813 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.361 -6.899 2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.828 -6.456 0.922 1.00 0.00 H new ATOM 0 HG LEU A 9 -9.725 -5.054 2.553 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.133 -6.249 0.932 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.094 -7.415 1.872 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.544 -7.040 0.191 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.921 -4.115 0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.293 -4.884 -0.430 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.585 -3.606 0.774 1.00 0.00 H new ATOM 149 N VAL A 10 -13.072 -3.329 0.842 1.00 0.00 N ATOM 150 CA VAL A 10 -13.950 -2.582 -0.054 1.00 0.00 C ATOM 151 C VAL A 10 -13.087 -1.815 -1.064 1.00 0.00 C ATOM 152 O VAL A 10 -12.142 -1.130 -0.665 1.00 0.00 O ATOM 153 CB VAL A 10 -14.932 -1.658 0.706 1.00 0.00 C ATOM 154 CG1 VAL A 10 -16.325 -2.290 0.795 1.00 0.00 C ATOM 155 CG2 VAL A 10 -14.515 -1.322 2.136 1.00 0.00 C ATOM 0 H VAL A 10 -12.189 -2.855 1.030 1.00 0.00 H new ATOM 0 HA VAL A 10 -14.587 -3.286 -0.590 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.930 -0.739 0.120 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -16.995 -1.620 1.334 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -16.712 -2.460 -0.210 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -16.260 -3.241 1.324 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -15.262 -0.671 2.589 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -14.434 -2.241 2.717 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.551 -0.814 2.124 1.00 0.00 H new ATOM 165 N PRO A 11 -13.337 -1.964 -2.375 1.00 0.00 N ATOM 166 CA PRO A 11 -12.586 -1.279 -3.411 1.00 0.00 C ATOM 167 C PRO A 11 -12.957 0.201 -3.465 1.00 0.00 C ATOM 168 O PRO A 11 -14.109 0.535 -3.754 1.00 0.00 O ATOM 169 CB PRO A 11 -12.913 -2.008 -4.704 1.00 0.00 C ATOM 170 CG PRO A 11 -14.226 -2.754 -4.463 1.00 0.00 C ATOM 171 CD PRO A 11 -14.414 -2.758 -2.943 1.00 0.00 C ATOM 0 HA PRO A 11 -11.513 -1.299 -3.221 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -13.013 -1.305 -5.531 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -12.116 -2.702 -4.970 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -15.058 -2.257 -4.961 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -14.180 -3.769 -4.856 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -15.384 -2.339 -2.674 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -14.388 -3.776 -2.555 1.00 0.00 H new ATOM 179 N THR A 12 -11.991 1.080 -3.211 1.00 0.00 N ATOM 180 CA THR A 12 -12.137 2.531 -3.267 1.00 0.00 C ATOM 181 C THR A 12 -11.202 3.057 -4.371 1.00 0.00 C ATOM 182 O THR A 12 -10.616 2.275 -5.124 1.00 0.00 O ATOM 183 CB THR A 12 -11.952 3.147 -1.858 1.00 0.00 C ATOM 184 OG1 THR A 12 -12.309 4.509 -1.874 1.00 0.00 O ATOM 185 CG2 THR A 12 -10.527 3.036 -1.319 1.00 0.00 C ATOM 0 H THR A 12 -11.049 0.789 -2.950 1.00 0.00 H new ATOM 0 HA THR A 12 -13.143 2.841 -3.548 1.00 0.00 H new ATOM 0 HB THR A 12 -12.601 2.571 -1.199 1.00 0.00 H new ATOM 0 HG1 THR A 12 -12.190 4.889 -0.978 1.00 0.00 H new ATOM 0 HG21 THR A 12 -10.476 3.489 -0.329 1.00 0.00 H new ATOM 0 HG22 THR A 12 -10.244 1.985 -1.252 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.843 3.554 -1.991 1.00 0.00 H new ATOM 193 N GLN A 13 -11.094 4.375 -4.515 1.00 0.00 N ATOM 194 CA GLN A 13 -10.429 5.055 -5.627 1.00 0.00 C ATOM 195 C GLN A 13 -9.739 6.335 -5.120 1.00 0.00 C ATOM 196 O GLN A 13 -10.151 6.870 -4.084 1.00 0.00 O ATOM 197 CB GLN A 13 -11.469 5.350 -6.734 1.00 0.00 C ATOM 198 CG GLN A 13 -12.767 5.978 -6.207 1.00 0.00 C ATOM 199 CD GLN A 13 -13.496 6.809 -7.256 1.00 0.00 C ATOM 200 OE1 GLN A 13 -13.819 6.339 -8.352 1.00 0.00 O ATOM 201 NE2 GLN A 13 -13.799 8.051 -6.942 1.00 0.00 N ATOM 0 H GLN A 13 -11.483 5.027 -3.833 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.654 4.419 -6.054 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -11.024 6.020 -7.470 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -11.709 4.422 -7.252 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -13.429 5.187 -5.854 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -12.536 6.608 -5.348 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -13.527 8.428 -6.034 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -14.306 8.636 -7.607 1.00 0.00 H new ATOM 210 N PRO A 14 -8.717 6.851 -5.828 1.00 0.00 N ATOM 211 CA PRO A 14 -7.993 8.053 -5.425 1.00 0.00 C ATOM 212 C PRO A 14 -8.896 9.270 -5.641 1.00 0.00 C ATOM 213 O PRO A 14 -10.033 9.174 -6.125 1.00 0.00 O ATOM 214 CB PRO A 14 -6.736 8.081 -6.310 1.00 0.00 C ATOM 215 CG PRO A 14 -7.204 7.416 -7.598 1.00 0.00 C ATOM 216 CD PRO A 14 -8.244 6.399 -7.132 1.00 0.00 C ATOM 0 HA PRO A 14 -7.709 8.064 -4.373 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.389 9.099 -6.485 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.909 7.537 -5.853 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.636 8.141 -8.288 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.379 6.932 -8.120 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -9.069 6.335 -7.842 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.807 5.403 -7.061 1.00 0.00 H new ATOM 224 N LEU A 15 -8.363 10.440 -5.334 1.00 0.00 N ATOM 225 CA LEU A 15 -8.848 11.690 -5.897 1.00 0.00 C ATOM 226 C LEU A 15 -7.756 12.300 -6.791 1.00 0.00 C ATOM 227 O LEU A 15 -6.583 11.903 -6.701 1.00 0.00 O ATOM 228 CB LEU A 15 -9.411 12.580 -4.778 1.00 0.00 C ATOM 229 CG LEU A 15 -8.376 13.352 -3.947 1.00 0.00 C ATOM 230 CD1 LEU A 15 -8.706 14.849 -4.024 1.00 0.00 C ATOM 231 CD2 LEU A 15 -8.391 12.913 -2.484 1.00 0.00 C ATOM 0 H LEU A 15 -7.582 10.551 -4.688 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.696 11.544 -6.566 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.099 13.299 -5.224 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.996 11.955 -4.103 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.385 13.148 -4.351 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -7.980 15.412 -3.438 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.668 15.177 -5.063 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.706 15.022 -3.626 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -7.646 13.480 -1.926 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.378 13.095 -2.060 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.159 11.850 -2.421 1.00 0.00 H new ATOM 243 N PRO A 16 -8.129 13.217 -7.699 1.00 0.00 N ATOM 244 CA PRO A 16 -7.185 13.966 -8.506 1.00 0.00 C ATOM 245 C PRO A 16 -6.528 15.027 -7.617 1.00 0.00 C ATOM 246 O PRO A 16 -6.820 15.123 -6.423 1.00 0.00 O ATOM 247 CB PRO A 16 -8.024 14.569 -9.639 1.00 0.00 C ATOM 248 CG PRO A 16 -9.443 14.669 -9.079 1.00 0.00 C ATOM 249 CD PRO A 16 -9.450 13.809 -7.822 1.00 0.00 C ATOM 0 HA PRO A 16 -6.376 13.367 -8.924 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -7.646 15.549 -9.930 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -7.995 13.939 -10.528 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -9.701 15.703 -8.848 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -10.176 14.311 -9.802 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -9.685 14.412 -6.945 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.214 13.034 -7.890 1.00 0.00 H new ATOM 257 N ASN A 17 -5.642 15.852 -8.172 1.00 0.00 N ATOM 258 CA ASN A 17 -4.873 16.899 -7.486 1.00 0.00 C ATOM 259 C ASN A 17 -3.809 16.323 -6.558 1.00 0.00 C ATOM 260 O ASN A 17 -2.729 16.904 -6.463 1.00 0.00 O ATOM 261 CB ASN A 17 -5.728 17.895 -6.678 1.00 0.00 C ATOM 262 CG ASN A 17 -7.104 18.219 -7.234 1.00 0.00 C ATOM 263 OD1 ASN A 17 -7.259 18.984 -8.185 1.00 0.00 O ATOM 264 ND2 ASN A 17 -8.137 17.646 -6.643 1.00 0.00 N ATOM 0 H ASN A 17 -5.426 15.809 -9.168 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.405 17.445 -8.305 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -5.853 17.498 -5.671 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -5.170 18.827 -6.586 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -9.083 17.835 -6.974 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -7.989 17.015 -5.856 1.00 0.00 H new ATOM 271 N ALA A 18 -4.105 15.209 -5.881 1.00 0.00 N ATOM 272 CA ALA A 18 -3.149 14.479 -5.073 1.00 0.00 C ATOM 273 C ALA A 18 -1.922 14.146 -5.924 1.00 0.00 C ATOM 274 O ALA A 18 -2.079 13.755 -7.083 1.00 0.00 O ATOM 275 CB ALA A 18 -3.814 13.212 -4.534 1.00 0.00 C ATOM 0 H ALA A 18 -5.035 14.790 -5.886 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.823 15.083 -4.226 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.100 12.657 -3.925 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.676 13.484 -3.925 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -4.140 12.590 -5.367 1.00 0.00 H new ATOM 281 N SER A 19 -0.721 14.276 -5.378 1.00 0.00 N ATOM 282 CA SER A 19 0.518 13.940 -6.038 1.00 0.00 C ATOM 283 C SER A 19 1.475 13.476 -4.953 1.00 0.00 C ATOM 284 O SER A 19 1.292 13.763 -3.767 1.00 0.00 O ATOM 285 CB SER A 19 1.030 15.177 -6.769 1.00 0.00 C ATOM 286 OG SER A 19 2.292 14.967 -7.364 1.00 0.00 O ATOM 0 H SER A 19 -0.586 14.631 -4.431 1.00 0.00 H new ATOM 0 HA SER A 19 0.403 13.149 -6.779 1.00 0.00 H new ATOM 0 HB2 SER A 19 0.312 15.464 -7.538 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.096 16.009 -6.068 1.00 0.00 H new ATOM 0 HG SER A 19 2.975 14.895 -6.665 1.00 0.00 H new ATOM 292 N PHE A 20 2.472 12.708 -5.367 1.00 0.00 N ATOM 293 CA PHE A 20 3.554 12.333 -4.499 1.00 0.00 C ATOM 294 C PHE A 20 4.356 13.574 -4.141 1.00 0.00 C ATOM 295 O PHE A 20 4.331 14.598 -4.837 1.00 0.00 O ATOM 296 CB PHE A 20 4.435 11.261 -5.169 1.00 0.00 C ATOM 297 CG PHE A 20 5.538 10.742 -4.273 1.00 0.00 C ATOM 298 CD1 PHE A 20 5.209 10.019 -3.111 1.00 0.00 C ATOM 299 CD2 PHE A 20 6.876 11.103 -4.520 1.00 0.00 C ATOM 300 CE1 PHE A 20 6.206 9.708 -2.172 1.00 0.00 C ATOM 301 CE2 PHE A 20 7.872 10.789 -3.583 1.00 0.00 C ATOM 302 CZ PHE A 20 7.528 10.123 -2.396 1.00 0.00 C ATOM 0 H PHE A 20 2.544 12.333 -6.313 1.00 0.00 H new ATOM 0 HA PHE A 20 3.159 11.897 -3.581 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.806 10.426 -5.479 1.00 0.00 H new ATOM 0 HB3 PHE A 20 4.878 11.679 -6.073 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.190 9.703 -2.942 1.00 0.00 H new ATOM 0 HD2 PHE A 20 7.136 11.622 -5.431 1.00 0.00 H new ATOM 0 HE1 PHE A 20 5.956 9.151 -1.281 1.00 0.00 H new ATOM 0 HE2 PHE A 20 8.900 11.059 -3.774 1.00 0.00 H new ATOM 0 HZ PHE A 20 8.285 9.929 -1.651 1.00 0.00 H new ATOM 312 N ASP A 21 5.050 13.452 -3.026 1.00 0.00 N ATOM 313 CA ASP A 21 5.852 14.449 -2.364 1.00 0.00 C ATOM 314 C ASP A 21 6.671 13.699 -1.304 1.00 0.00 C ATOM 315 O ASP A 21 6.367 12.539 -1.032 1.00 0.00 O ATOM 316 CB ASP A 21 4.988 15.551 -1.708 1.00 0.00 C ATOM 317 CG ASP A 21 3.516 15.264 -1.453 1.00 0.00 C ATOM 318 OD1 ASP A 21 3.170 14.198 -0.894 1.00 0.00 O ATOM 319 OD2 ASP A 21 2.732 16.212 -1.685 1.00 0.00 O ATOM 0 H ASP A 21 5.064 12.568 -2.518 1.00 0.00 H new ATOM 0 HA ASP A 21 6.491 14.962 -3.083 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.446 15.807 -0.753 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.048 16.438 -2.338 1.00 0.00 H new ATOM 324 N ASN A 22 7.668 14.350 -0.686 1.00 0.00 N ATOM 325 CA ASN A 22 8.738 13.799 0.174 1.00 0.00 C ATOM 326 C ASN A 22 8.332 12.926 1.387 1.00 0.00 C ATOM 327 O ASN A 22 9.182 12.681 2.253 1.00 0.00 O ATOM 328 CB ASN A 22 9.681 14.934 0.656 1.00 0.00 C ATOM 329 CG ASN A 22 10.827 15.289 -0.272 1.00 0.00 C ATOM 330 OD1 ASN A 22 11.003 16.443 -0.647 1.00 0.00 O ATOM 331 ND2 ASN A 22 11.738 14.370 -0.528 1.00 0.00 N ATOM 0 H ASN A 22 7.758 15.362 -0.780 1.00 0.00 H new ATOM 0 HA ASN A 22 9.232 13.094 -0.495 1.00 0.00 H new ATOM 0 HB2 ASN A 22 9.083 15.830 0.821 1.00 0.00 H new ATOM 0 HB3 ASN A 22 10.098 14.647 1.621 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.586 14.620 -1.037 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.594 13.409 -0.217 1.00 0.00 H new ATOM 338 N PHE A 23 7.095 12.449 1.538 1.00 0.00 N ATOM 339 CA PHE A 23 6.796 11.427 2.532 1.00 0.00 C ATOM 340 C PHE A 23 7.588 10.161 2.214 1.00 0.00 C ATOM 341 O PHE A 23 7.558 9.661 1.089 1.00 0.00 O ATOM 342 CB PHE A 23 5.290 11.144 2.662 1.00 0.00 C ATOM 343 CG PHE A 23 4.587 10.367 1.561 1.00 0.00 C ATOM 344 CD1 PHE A 23 4.546 8.955 1.600 1.00 0.00 C ATOM 345 CD2 PHE A 23 3.889 11.054 0.553 1.00 0.00 C ATOM 346 CE1 PHE A 23 3.811 8.241 0.638 1.00 0.00 C ATOM 347 CE2 PHE A 23 3.142 10.343 -0.399 1.00 0.00 C ATOM 348 CZ PHE A 23 3.098 8.935 -0.355 1.00 0.00 C ATOM 0 H PHE A 23 6.292 12.754 0.987 1.00 0.00 H new ATOM 0 HA PHE A 23 7.105 11.804 3.507 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.137 10.603 3.596 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.783 12.103 2.763 1.00 0.00 H new ATOM 0 HD1 PHE A 23 5.082 8.422 2.372 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.928 12.132 0.511 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.794 7.161 0.662 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.600 10.876 -1.166 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.517 8.390 -1.084 1.00 0.00 H new ATOM 358 N LYS A 24 8.282 9.612 3.213 1.00 0.00 N ATOM 359 CA LYS A 24 8.743 8.236 3.151 1.00 0.00 C ATOM 360 C LYS A 24 7.656 7.373 3.765 1.00 0.00 C ATOM 361 O LYS A 24 6.925 7.817 4.655 1.00 0.00 O ATOM 362 CB LYS A 24 10.077 8.112 3.895 1.00 0.00 C ATOM 363 CG LYS A 24 10.699 6.725 3.800 1.00 0.00 C ATOM 364 CD LYS A 24 12.109 6.596 4.390 1.00 0.00 C ATOM 365 CE LYS A 24 12.549 5.207 3.908 1.00 0.00 C ATOM 366 NZ LYS A 24 13.850 4.757 4.430 1.00 0.00 N ATOM 0 H LYS A 24 8.534 10.104 4.071 1.00 0.00 H new ATOM 0 HA LYS A 24 8.922 7.909 2.127 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.778 8.844 3.493 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.923 8.361 4.945 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.045 6.016 4.307 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.734 6.432 2.751 1.00 0.00 H new ATOM 0 HD2 LYS A 24 12.773 7.380 4.027 1.00 0.00 H new ATOM 0 HD3 LYS A 24 12.101 6.664 5.478 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.788 4.481 4.193 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.592 5.212 2.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 14.067 3.812 4.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.591 5.425 4.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.812 4.716 5.468 1.00 0.00 H new ATOM 380 N LEU A 25 7.627 6.107 3.371 1.00 0.00 N ATOM 381 CA LEU A 25 6.942 5.065 4.133 1.00 0.00 C ATOM 382 C LEU A 25 7.940 3.974 4.481 1.00 0.00 C ATOM 383 O LEU A 25 9.009 3.888 3.882 1.00 0.00 O ATOM 384 CB LEU A 25 5.663 4.569 3.430 1.00 0.00 C ATOM 385 CG LEU A 25 5.778 4.192 1.940 1.00 0.00 C ATOM 386 CD1 LEU A 25 6.618 2.934 1.678 1.00 0.00 C ATOM 387 CD2 LEU A 25 4.381 3.938 1.368 1.00 0.00 C ATOM 0 H LEU A 25 8.075 5.772 2.518 1.00 0.00 H new ATOM 0 HA LEU A 25 6.571 5.475 5.072 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.297 3.697 3.972 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.903 5.345 3.524 1.00 0.00 H new ATOM 0 HG LEU A 25 6.278 5.033 1.460 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.651 2.735 0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 25 7.631 3.089 2.050 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.169 2.083 2.191 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.462 3.671 0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.907 3.122 1.913 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.777 4.840 1.469 1.00 0.00 H new ATOM 399 N THR A 26 7.628 3.161 5.475 1.00 0.00 N ATOM 400 CA THR A 26 8.490 2.099 5.963 1.00 0.00 C ATOM 401 C THR A 26 7.581 0.910 6.277 1.00 0.00 C ATOM 402 O THR A 26 6.360 1.076 6.352 1.00 0.00 O ATOM 403 CB THR A 26 9.297 2.598 7.178 1.00 0.00 C ATOM 404 OG1 THR A 26 8.464 2.916 8.270 1.00 0.00 O ATOM 405 CG2 THR A 26 10.182 3.818 6.893 1.00 0.00 C ATOM 0 H THR A 26 6.743 3.223 5.979 1.00 0.00 H new ATOM 0 HA THR A 26 9.233 1.789 5.228 1.00 0.00 H new ATOM 0 HB THR A 26 9.946 1.756 7.419 1.00 0.00 H new ATOM 0 HG1 THR A 26 7.708 3.456 7.958 1.00 0.00 H new ATOM 0 HG21 THR A 26 10.714 4.102 7.801 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.902 3.571 6.113 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.560 4.649 6.562 1.00 0.00 H new ATOM 413 N CYS A 27 8.133 -0.291 6.446 1.00 0.00 N ATOM 414 CA CYS A 27 7.367 -1.449 6.863 1.00 0.00 C ATOM 415 C CYS A 27 8.279 -2.488 7.491 1.00 0.00 C ATOM 416 O CYS A 27 9.503 -2.444 7.330 1.00 0.00 O ATOM 417 CB CYS A 27 6.584 -2.028 5.670 1.00 0.00 C ATOM 418 SG CYS A 27 7.351 -3.379 4.773 1.00 0.00 S ATOM 0 H CYS A 27 9.124 -0.481 6.296 1.00 0.00 H new ATOM 0 HA CYS A 27 6.644 -1.144 7.619 1.00 0.00 H new ATOM 0 HB2 CYS A 27 5.615 -2.370 6.034 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.392 -1.219 4.965 1.00 0.00 H new ATOM 0 HG CYS A 27 8.641 -3.215 4.760 1.00 0.00 H new ATOM 424 N SER A 28 7.643 -3.482 8.101 1.00 0.00 N ATOM 425 CA SER A 28 8.281 -4.595 8.788 1.00 0.00 C ATOM 426 C SER A 28 9.267 -5.370 7.904 1.00 0.00 C ATOM 427 O SER A 28 10.250 -5.904 8.416 1.00 0.00 O ATOM 428 CB SER A 28 7.190 -5.520 9.336 1.00 0.00 C ATOM 429 OG SER A 28 6.105 -4.787 9.888 1.00 0.00 O ATOM 0 H SER A 28 6.625 -3.535 8.130 1.00 0.00 H new ATOM 0 HA SER A 28 8.881 -4.189 9.603 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.824 -6.164 8.536 1.00 0.00 H new ATOM 0 HB3 SER A 28 7.615 -6.171 10.100 1.00 0.00 H new ATOM 0 HG SER A 28 5.428 -5.410 10.226 1.00 0.00 H new ATOM 435 N ASN A 29 9.042 -5.430 6.588 1.00 0.00 N ATOM 436 CA ASN A 29 10.004 -5.954 5.626 1.00 0.00 C ATOM 437 C ASN A 29 10.693 -4.796 4.918 1.00 0.00 C ATOM 438 O ASN A 29 10.060 -4.063 4.159 1.00 0.00 O ATOM 439 CB ASN A 29 9.329 -6.861 4.594 1.00 0.00 C ATOM 440 CG ASN A 29 10.402 -7.405 3.668 1.00 0.00 C ATOM 441 OD1 ASN A 29 10.733 -6.825 2.649 1.00 0.00 O ATOM 442 ND2 ASN A 29 11.049 -8.466 4.083 1.00 0.00 N ATOM 0 H ASN A 29 8.173 -5.110 6.160 1.00 0.00 H new ATOM 0 HA ASN A 29 10.737 -6.551 6.168 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.805 -7.678 5.090 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.584 -6.303 4.027 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.844 -8.819 3.551 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.758 -8.939 4.939 1.00 0.00 H new ATOM 449 N THR A 30 11.987 -4.608 5.139 1.00 0.00 N ATOM 450 CA THR A 30 12.689 -3.477 4.554 1.00 0.00 C ATOM 451 C THR A 30 12.594 -3.441 3.030 1.00 0.00 C ATOM 452 O THR A 30 12.379 -2.358 2.491 1.00 0.00 O ATOM 453 CB THR A 30 14.146 -3.463 5.023 1.00 0.00 C ATOM 454 OG1 THR A 30 14.656 -4.788 4.980 1.00 0.00 O ATOM 455 CG2 THR A 30 14.213 -2.910 6.445 1.00 0.00 C ATOM 0 H THR A 30 12.567 -5.219 5.714 1.00 0.00 H new ATOM 0 HA THR A 30 12.195 -2.571 4.905 1.00 0.00 H new ATOM 0 HB THR A 30 14.747 -2.828 4.372 1.00 0.00 H new ATOM 0 HG1 THR A 30 15.590 -4.789 5.277 1.00 0.00 H new ATOM 0 HG21 THR A 30 15.249 -2.899 6.782 1.00 0.00 H new ATOM 0 HG22 THR A 30 13.815 -1.895 6.460 1.00 0.00 H new ATOM 0 HG23 THR A 30 13.622 -3.541 7.109 1.00 0.00 H new ATOM 463 N LYS A 31 12.713 -4.577 2.332 1.00 0.00 N ATOM 464 CA LYS A 31 12.654 -4.583 0.873 1.00 0.00 C ATOM 465 C LYS A 31 11.280 -4.131 0.434 1.00 0.00 C ATOM 466 O LYS A 31 11.226 -3.283 -0.444 1.00 0.00 O ATOM 467 CB LYS A 31 13.033 -5.954 0.272 1.00 0.00 C ATOM 468 CG LYS A 31 12.654 -6.165 -1.211 1.00 0.00 C ATOM 469 CD LYS A 31 13.359 -5.256 -2.232 1.00 0.00 C ATOM 470 CE LYS A 31 14.725 -5.801 -2.674 1.00 0.00 C ATOM 471 NZ LYS A 31 15.240 -5.068 -3.855 1.00 0.00 N ATOM 0 H LYS A 31 12.850 -5.495 2.754 1.00 0.00 H new ATOM 0 HA LYS A 31 13.399 -3.884 0.491 1.00 0.00 H new ATOM 0 HB2 LYS A 31 14.110 -6.090 0.375 1.00 0.00 H new ATOM 0 HB3 LYS A 31 12.555 -6.734 0.864 1.00 0.00 H new ATOM 0 HG2 LYS A 31 12.865 -7.202 -1.474 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.578 -6.023 -1.312 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.720 -5.137 -3.107 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.492 -4.265 -1.798 1.00 0.00 H new ATOM 0 HE2 LYS A 31 15.436 -5.716 -1.852 1.00 0.00 H new ATOM 0 HE3 LYS A 31 14.637 -6.861 -2.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 16.164 -5.458 -4.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.572 -5.170 -4.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 15.346 -4.061 -3.619 1.00 0.00 H new ATOM 485 N PHE A 32 10.198 -4.656 1.014 1.00 0.00 N ATOM 486 CA PHE A 32 8.858 -4.315 0.558 1.00 0.00 C ATOM 487 C PHE A 32 8.653 -2.802 0.526 1.00 0.00 C ATOM 488 O PHE A 32 8.448 -2.241 -0.550 1.00 0.00 O ATOM 489 CB PHE A 32 7.814 -4.972 1.448 1.00 0.00 C ATOM 490 CG PHE A 32 6.392 -4.740 0.973 1.00 0.00 C ATOM 491 CD1 PHE A 32 5.978 -5.329 -0.229 1.00 0.00 C ATOM 492 CD2 PHE A 32 5.465 -4.000 1.727 1.00 0.00 C ATOM 493 CE1 PHE A 32 4.639 -5.257 -0.645 1.00 0.00 C ATOM 494 CE2 PHE A 32 4.126 -3.917 1.311 1.00 0.00 C ATOM 495 CZ PHE A 32 3.702 -4.564 0.137 1.00 0.00 C ATOM 0 H PHE A 32 10.227 -5.313 1.794 1.00 0.00 H new ATOM 0 HA PHE A 32 8.742 -4.691 -0.459 1.00 0.00 H new ATOM 0 HB2 PHE A 32 8.005 -6.044 1.491 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.918 -4.589 2.463 1.00 0.00 H new ATOM 0 HD1 PHE A 32 6.699 -5.846 -0.844 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.783 -3.495 2.627 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.331 -5.733 -1.564 1.00 0.00 H new ATOM 0 HE2 PHE A 32 3.417 -3.352 1.897 1.00 0.00 H new ATOM 0 HZ PHE A 32 2.664 -4.528 -0.160 1.00 0.00 H new ATOM 505 N ALA A 33 8.744 -2.139 1.684 1.00 0.00 N ATOM 506 CA ALA A 33 8.534 -0.700 1.728 1.00 0.00 C ATOM 507 C ALA A 33 9.569 0.067 0.905 1.00 0.00 C ATOM 508 O ALA A 33 9.243 1.111 0.350 1.00 0.00 O ATOM 509 CB ALA A 33 8.575 -0.225 3.179 1.00 0.00 C ATOM 0 H ALA A 33 8.958 -2.571 2.583 1.00 0.00 H new ATOM 0 HA ALA A 33 7.557 -0.497 1.289 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.418 0.853 3.214 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.791 -0.724 3.748 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.546 -0.464 3.613 1.00 0.00 H new ATOM 515 N ASP A 34 10.809 -0.421 0.817 1.00 0.00 N ATOM 516 CA ASP A 34 11.858 0.325 0.110 1.00 0.00 C ATOM 517 C ASP A 34 11.714 0.212 -1.408 1.00 0.00 C ATOM 518 O ASP A 34 12.148 1.104 -2.137 1.00 0.00 O ATOM 519 CB ASP A 34 13.259 -0.109 0.554 1.00 0.00 C ATOM 520 CG ASP A 34 14.298 0.984 0.333 1.00 0.00 C ATOM 521 OD1 ASP A 34 14.120 2.090 0.896 1.00 0.00 O ATOM 522 OD2 ASP A 34 15.365 0.696 -0.258 1.00 0.00 O ATOM 0 H ASP A 34 11.109 -1.310 1.217 1.00 0.00 H new ATOM 0 HA ASP A 34 11.730 1.374 0.379 1.00 0.00 H new ATOM 0 HB2 ASP A 34 13.236 -0.378 1.610 1.00 0.00 H new ATOM 0 HB3 ASP A 34 13.552 -1.003 0.003 1.00 0.00 H new ATOM 527 N ASP A 35 11.097 -0.868 -1.885 1.00 0.00 N ATOM 528 CA ASP A 35 10.729 -1.107 -3.277 1.00 0.00 C ATOM 529 C ASP A 35 9.472 -0.306 -3.628 1.00 0.00 C ATOM 530 O ASP A 35 9.413 0.351 -4.663 1.00 0.00 O ATOM 531 CB ASP A 35 10.529 -2.610 -3.490 1.00 0.00 C ATOM 532 CG ASP A 35 10.622 -2.999 -4.966 1.00 0.00 C ATOM 533 OD1 ASP A 35 9.683 -2.765 -5.753 1.00 0.00 O ATOM 534 OD2 ASP A 35 11.680 -3.557 -5.350 1.00 0.00 O ATOM 0 H ASP A 35 10.826 -1.641 -1.277 1.00 0.00 H new ATOM 0 HA ASP A 35 11.524 -0.772 -3.943 1.00 0.00 H new ATOM 0 HB2 ASP A 35 11.280 -3.159 -2.923 1.00 0.00 H new ATOM 0 HB3 ASP A 35 9.555 -2.905 -3.098 1.00 0.00 H new ATOM 539 N LEU A 36 8.499 -0.238 -2.715 1.00 0.00 N ATOM 540 CA LEU A 36 7.354 0.665 -2.853 1.00 0.00 C ATOM 541 C LEU A 36 7.819 2.128 -2.899 1.00 0.00 C ATOM 542 O LEU A 36 7.318 2.911 -3.704 1.00 0.00 O ATOM 543 CB LEU A 36 6.354 0.436 -1.709 1.00 0.00 C ATOM 544 CG LEU A 36 5.195 -0.484 -2.121 1.00 0.00 C ATOM 545 CD1 LEU A 36 5.622 -1.885 -2.578 1.00 0.00 C ATOM 546 CD2 LEU A 36 4.216 -0.621 -0.962 1.00 0.00 C ATOM 0 H LEU A 36 8.483 -0.803 -1.866 1.00 0.00 H new ATOM 0 HA LEU A 36 6.849 0.447 -3.794 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.875 0.000 -0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.954 1.396 -1.382 1.00 0.00 H new ATOM 0 HG LEU A 36 4.734 -0.006 -2.985 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.739 -2.464 -2.849 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.280 -1.801 -3.443 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.150 -2.387 -1.767 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.394 -1.274 -1.255 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.729 -1.048 -0.101 1.00 0.00 H new ATOM 0 HD23 LEU A 36 3.823 0.361 -0.700 1.00 0.00 H new ATOM 558 N ASN A 37 8.812 2.506 -2.093 1.00 0.00 N ATOM 559 CA ASN A 37 9.423 3.828 -2.153 1.00 0.00 C ATOM 560 C ASN A 37 10.160 4.050 -3.483 1.00 0.00 C ATOM 561 O ASN A 37 10.334 5.195 -3.901 1.00 0.00 O ATOM 562 CB ASN A 37 10.399 3.997 -0.980 1.00 0.00 C ATOM 563 CG ASN A 37 9.767 4.478 0.320 1.00 0.00 C ATOM 564 OD1 ASN A 37 8.855 5.300 0.343 1.00 0.00 O ATOM 565 ND2 ASN A 37 10.276 4.010 1.445 1.00 0.00 N ATOM 0 H ASN A 37 9.214 1.899 -1.379 1.00 0.00 H new ATOM 0 HA ASN A 37 8.629 4.572 -2.084 1.00 0.00 H new ATOM 0 HB2 ASN A 37 10.891 3.042 -0.796 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.176 4.704 -1.272 1.00 0.00 H new ATOM 0 HD21 ASN A 37 9.912 4.331 2.342 1.00 0.00 H new ATOM 0 HD22 ASN A 37 11.033 3.327 1.417 1.00 0.00 H new ATOM 572 N GLN A 38 10.623 3.002 -4.167 1.00 0.00 N ATOM 573 CA GLN A 38 11.199 3.084 -5.498 1.00 0.00 C ATOM 574 C GLN A 38 10.089 3.242 -6.551 1.00 0.00 C ATOM 575 O GLN A 38 10.347 3.819 -7.607 1.00 0.00 O ATOM 576 CB GLN A 38 12.042 1.822 -5.701 1.00 0.00 C ATOM 577 CG GLN A 38 13.516 2.037 -5.347 1.00 0.00 C ATOM 578 CD GLN A 38 14.393 2.495 -6.505 1.00 0.00 C ATOM 579 OE1 GLN A 38 14.061 3.381 -7.288 1.00 0.00 O ATOM 580 NE2 GLN A 38 15.581 1.922 -6.625 1.00 0.00 N ATOM 0 H GLN A 38 10.604 2.052 -3.796 1.00 0.00 H new ATOM 0 HA GLN A 38 11.838 3.960 -5.610 1.00 0.00 H new ATOM 0 HB2 GLN A 38 11.638 1.017 -5.087 1.00 0.00 H new ATOM 0 HB3 GLN A 38 11.964 1.501 -6.740 1.00 0.00 H new ATOM 0 HG2 GLN A 38 13.579 2.776 -4.548 1.00 0.00 H new ATOM 0 HG3 GLN A 38 13.919 1.105 -4.951 1.00 0.00 H new ATOM 0 HE21 GLN A 38 15.860 1.186 -5.976 1.00 0.00 H new ATOM 0 HE22 GLN A 38 16.217 2.217 -7.366 1.00 0.00 H new ATOM 589 N MET A 39 8.855 2.804 -6.264 1.00 0.00 N ATOM 590 CA MET A 39 7.697 3.025 -7.125 1.00 0.00 C ATOM 591 C MET A 39 7.217 4.478 -7.057 1.00 0.00 C ATOM 592 O MET A 39 6.715 4.968 -8.069 1.00 0.00 O ATOM 593 CB MET A 39 6.539 2.063 -6.787 1.00 0.00 C ATOM 594 CG MET A 39 6.912 0.603 -7.073 1.00 0.00 C ATOM 595 SD MET A 39 5.881 -0.728 -6.365 1.00 0.00 S ATOM 596 CE MET A 39 4.287 0.087 -6.093 1.00 0.00 C ATOM 0 H MET A 39 8.636 2.281 -5.416 1.00 0.00 H new ATOM 0 HA MET A 39 8.021 2.817 -8.145 1.00 0.00 H new ATOM 0 HB2 MET A 39 6.271 2.171 -5.736 1.00 0.00 H new ATOM 0 HB3 MET A 39 5.659 2.334 -7.370 1.00 0.00 H new ATOM 0 HG2 MET A 39 6.922 0.472 -8.155 1.00 0.00 H new ATOM 0 HG3 MET A 39 7.933 0.450 -6.724 1.00 0.00 H new ATOM 0 HE1 MET A 39 3.500 -0.665 -6.029 1.00 0.00 H new ATOM 0 HE2 MET A 39 4.323 0.655 -5.164 1.00 0.00 H new ATOM 0 HE3 MET A 39 4.077 0.762 -6.923 1.00 0.00 H new ATOM 606 N THR A 40 7.330 5.179 -5.919 1.00 0.00 N ATOM 607 CA THR A 40 6.999 6.607 -5.851 1.00 0.00 C ATOM 608 C THR A 40 8.134 7.515 -6.333 1.00 0.00 C ATOM 609 O THR A 40 7.866 8.656 -6.718 1.00 0.00 O ATOM 610 CB THR A 40 6.589 7.010 -4.426 1.00 0.00 C ATOM 611 OG1 THR A 40 7.589 6.746 -3.462 1.00 0.00 O ATOM 612 CG2 THR A 40 5.330 6.271 -3.986 1.00 0.00 C ATOM 0 H THR A 40 7.648 4.780 -5.036 1.00 0.00 H new ATOM 0 HA THR A 40 6.159 6.749 -6.531 1.00 0.00 H new ATOM 0 HB THR A 40 6.418 8.085 -4.476 1.00 0.00 H new ATOM 0 HG1 THR A 40 7.272 7.024 -2.577 1.00 0.00 H new ATOM 0 HG21 THR A 40 5.064 6.576 -2.974 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.511 6.511 -4.665 1.00 0.00 H new ATOM 0 HG23 THR A 40 5.513 5.197 -4.004 1.00 0.00 H new ATOM 620 N GLY A 41 9.378 7.029 -6.289 1.00 0.00 N ATOM 621 CA GLY A 41 10.556 7.868 -6.428 1.00 0.00 C ATOM 622 C GLY A 41 10.927 8.553 -5.108 1.00 0.00 C ATOM 623 O GLY A 41 11.715 9.499 -5.137 1.00 0.00 O ATOM 0 H GLY A 41 9.589 6.040 -6.155 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.395 7.263 -6.771 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.375 8.624 -7.192 1.00 0.00 H new ATOM 627 N PHE A 42 10.398 8.091 -3.958 1.00 0.00 N ATOM 628 CA PHE A 42 10.730 8.630 -2.638 1.00 0.00 C ATOM 629 C PHE A 42 12.253 8.692 -2.468 1.00 0.00 C ATOM 630 O PHE A 42 12.954 7.698 -2.692 1.00 0.00 O ATOM 631 CB PHE A 42 10.107 7.824 -1.477 1.00 0.00 C ATOM 632 CG PHE A 42 10.805 8.166 -0.171 1.00 0.00 C ATOM 633 CD1 PHE A 42 10.728 9.475 0.349 1.00 0.00 C ATOM 634 CD2 PHE A 42 11.788 7.286 0.320 1.00 0.00 C ATOM 635 CE1 PHE A 42 11.719 9.932 1.222 1.00 0.00 C ATOM 636 CE2 PHE A 42 12.747 7.729 1.234 1.00 0.00 C ATOM 637 CZ PHE A 42 12.732 9.064 1.648 1.00 0.00 C ATOM 0 H PHE A 42 9.723 7.327 -3.926 1.00 0.00 H new ATOM 0 HA PHE A 42 10.302 9.631 -2.592 1.00 0.00 H new ATOM 0 HB2 PHE A 42 9.043 8.047 -1.399 1.00 0.00 H new ATOM 0 HB3 PHE A 42 10.195 6.756 -1.677 1.00 0.00 H new ATOM 0 HD1 PHE A 42 9.907 10.121 0.074 1.00 0.00 H new ATOM 0 HD2 PHE A 42 11.801 6.259 -0.013 1.00 0.00 H new ATOM 0 HE1 PHE A 42 11.704 10.955 1.568 1.00 0.00 H new ATOM 0 HE2 PHE A 42 13.492 7.047 1.617 1.00 0.00 H new ATOM 0 HZ PHE A 42 13.509 9.430 2.303 1.00 0.00 H new ATOM 647 N THR A 43 12.755 9.842 -2.042 1.00 0.00 N ATOM 648 CA THR A 43 14.154 10.198 -2.007 1.00 0.00 C ATOM 649 C THR A 43 14.326 11.098 -0.789 1.00 0.00 C ATOM 650 O THR A 43 13.591 12.072 -0.609 1.00 0.00 O ATOM 651 CB THR A 43 14.472 10.875 -3.355 1.00 0.00 C ATOM 652 OG1 THR A 43 14.352 9.925 -4.404 1.00 0.00 O ATOM 653 CG2 THR A 43 15.874 11.474 -3.400 1.00 0.00 C ATOM 0 H THR A 43 12.157 10.590 -1.693 1.00 0.00 H new ATOM 0 HA THR A 43 14.847 9.363 -1.901 1.00 0.00 H new ATOM 0 HB THR A 43 13.757 11.689 -3.476 1.00 0.00 H new ATOM 0 HG1 THR A 43 13.404 9.781 -4.608 1.00 0.00 H new ATOM 0 HG21 THR A 43 16.041 11.937 -4.373 1.00 0.00 H new ATOM 0 HG22 THR A 43 15.973 12.227 -2.618 1.00 0.00 H new ATOM 0 HG23 THR A 43 16.611 10.687 -3.241 1.00 0.00 H new ATOM 661 N LYS A 44 15.251 10.730 0.102 1.00 0.00 N ATOM 662 CA LYS A 44 15.576 11.539 1.259 1.00 0.00 C ATOM 663 C LYS A 44 16.208 12.866 0.813 1.00 0.00 C ATOM 664 O LYS A 44 16.810 12.920 -0.270 1.00 0.00 O ATOM 665 CB LYS A 44 16.523 10.756 2.191 1.00 0.00 C ATOM 666 CG LYS A 44 15.793 9.995 3.308 1.00 0.00 C ATOM 667 CD LYS A 44 16.598 9.908 4.604 1.00 0.00 C ATOM 668 CE LYS A 44 15.842 9.026 5.601 1.00 0.00 C ATOM 669 NZ LYS A 44 16.640 8.789 6.814 1.00 0.00 N ATOM 0 H LYS A 44 15.788 9.866 0.034 1.00 0.00 H new ATOM 0 HA LYS A 44 14.664 11.769 1.811 1.00 0.00 H new ATOM 0 HB2 LYS A 44 17.100 10.048 1.597 1.00 0.00 H new ATOM 0 HB3 LYS A 44 17.234 11.450 2.640 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.841 10.486 3.511 1.00 0.00 H new ATOM 0 HG3 LYS A 44 15.564 8.987 2.962 1.00 0.00 H new ATOM 0 HD2 LYS A 44 17.586 9.492 4.407 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.749 10.904 5.021 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.899 9.503 5.870 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.595 8.073 5.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.102 8.188 7.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 17.528 8.313 6.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 16.854 9.698 7.272 1.00 0.00 H new ATOM 683 N PRO A 45 16.193 13.872 1.698 1.00 0.00 N ATOM 684 CA PRO A 45 15.615 13.777 3.032 1.00 0.00 C ATOM 685 C PRO A 45 14.088 13.710 3.006 1.00 0.00 C ATOM 686 O PRO A 45 13.450 14.447 2.260 1.00 0.00 O ATOM 687 CB PRO A 45 16.078 15.027 3.752 1.00 0.00 C ATOM 688 CG PRO A 45 16.331 16.043 2.640 1.00 0.00 C ATOM 689 CD PRO A 45 16.848 15.156 1.513 1.00 0.00 C ATOM 0 HA PRO A 45 15.936 12.861 3.527 1.00 0.00 H new ATOM 0 HB2 PRO A 45 15.322 15.385 4.451 1.00 0.00 H new ATOM 0 HB3 PRO A 45 16.983 14.839 4.330 1.00 0.00 H new ATOM 0 HG2 PRO A 45 15.422 16.574 2.357 1.00 0.00 H new ATOM 0 HG3 PRO A 45 17.062 16.797 2.934 1.00 0.00 H new ATOM 0 HD2 PRO A 45 16.610 15.581 0.538 1.00 0.00 H new ATOM 0 HD3 PRO A 45 17.932 15.054 1.560 1.00 0.00 H new ATOM 697 N ALA A 46 13.499 12.773 3.764 1.00 0.00 N ATOM 698 CA ALA A 46 12.059 12.639 3.792 1.00 0.00 C ATOM 699 C ALA A 46 11.474 13.692 4.732 1.00 0.00 C ATOM 700 O ALA A 46 11.993 13.884 5.835 1.00 0.00 O ATOM 701 CB ALA A 46 11.650 11.234 4.246 1.00 0.00 C ATOM 0 H ALA A 46 14.002 12.110 4.354 1.00 0.00 H new ATOM 0 HA ALA A 46 11.669 12.792 2.786 1.00 0.00 H new ATOM 0 HB1 ALA A 46 10.563 11.158 4.259 1.00 0.00 H new ATOM 0 HB2 ALA A 46 12.057 10.496 3.555 1.00 0.00 H new ATOM 0 HB3 ALA A 46 12.039 11.048 5.247 1.00 0.00 H new ATOM 707 N SER A 47 10.372 14.319 4.335 1.00 0.00 N ATOM 708 CA SER A 47 9.606 15.229 5.179 1.00 0.00 C ATOM 709 C SER A 47 8.739 14.495 6.201 1.00 0.00 C ATOM 710 O SER A 47 8.229 15.125 7.128 1.00 0.00 O ATOM 711 CB SER A 47 8.715 16.089 4.286 1.00 0.00 C ATOM 712 OG SER A 47 9.444 17.213 3.838 1.00 0.00 O ATOM 0 H SER A 47 9.979 14.207 3.400 1.00 0.00 H new ATOM 0 HA SER A 47 10.314 15.841 5.738 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.364 15.506 3.434 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.832 16.411 4.837 1.00 0.00 H new ATOM 0 HG SER A 47 8.874 17.765 3.263 1.00 0.00 H new ATOM 718 N ARG A 48 8.545 13.181 6.064 1.00 0.00 N ATOM 719 CA ARG A 48 7.942 12.375 7.116 1.00 0.00 C ATOM 720 C ARG A 48 8.429 10.952 6.983 1.00 0.00 C ATOM 721 O ARG A 48 9.040 10.592 5.973 1.00 0.00 O ATOM 722 CB ARG A 48 6.402 12.475 7.079 1.00 0.00 C ATOM 723 CG ARG A 48 5.653 11.366 6.322 1.00 0.00 C ATOM 724 CD ARG A 48 4.236 11.810 5.973 1.00 0.00 C ATOM 725 NE ARG A 48 3.418 12.118 7.160 1.00 0.00 N ATOM 726 CZ ARG A 48 2.347 12.921 7.149 1.00 0.00 C ATOM 727 NH1 ARG A 48 1.967 13.524 6.032 1.00 0.00 N ATOM 728 NH2 ARG A 48 1.643 13.140 8.250 1.00 0.00 N ATOM 0 H ARG A 48 8.800 12.655 5.228 1.00 0.00 H new ATOM 0 HA ARG A 48 8.247 12.754 8.091 1.00 0.00 H new ATOM 0 HB2 ARG A 48 6.038 12.491 8.106 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.134 13.432 6.631 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.194 11.112 5.411 1.00 0.00 H new ATOM 0 HG3 ARG A 48 5.616 10.464 6.932 1.00 0.00 H new ATOM 0 HD2 ARG A 48 4.285 12.692 5.334 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.747 11.025 5.396 1.00 0.00 H new ATOM 0 HE ARG A 48 3.685 11.692 8.047 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.492 13.378 5.170 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.149 14.134 6.034 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.914 12.693 9.126 1.00 0.00 H new ATOM 0 HH22 ARG A 48 0.830 13.755 8.222 1.00 0.00 H new ATOM 742 N GLU A 49 8.039 10.136 7.944 1.00 0.00 N ATOM 743 CA GLU A 49 7.989 8.698 7.805 1.00 0.00 C ATOM 744 C GLU A 49 6.590 8.277 8.239 1.00 0.00 C ATOM 745 O GLU A 49 5.954 8.934 9.071 1.00 0.00 O ATOM 746 CB GLU A 49 9.094 8.016 8.629 1.00 0.00 C ATOM 747 CG GLU A 49 10.418 7.989 7.849 1.00 0.00 C ATOM 748 CD GLU A 49 11.615 7.457 8.642 1.00 0.00 C ATOM 749 OE1 GLU A 49 11.434 6.726 9.642 1.00 0.00 O ATOM 750 OE2 GLU A 49 12.759 7.786 8.248 1.00 0.00 O ATOM 0 H GLU A 49 7.742 10.465 8.863 1.00 0.00 H new ATOM 0 HA GLU A 49 8.174 8.389 6.776 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.232 8.547 9.571 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.793 6.999 8.878 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.287 7.375 6.958 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.645 8.999 7.509 1.00 0.00 H new ATOM 757 N LEU A 50 6.119 7.193 7.637 1.00 0.00 N ATOM 758 CA LEU A 50 4.952 6.422 8.041 1.00 0.00 C ATOM 759 C LEU A 50 5.459 5.001 8.207 1.00 0.00 C ATOM 760 O LEU A 50 6.492 4.653 7.625 1.00 0.00 O ATOM 761 CB LEU A 50 3.849 6.417 6.962 1.00 0.00 C ATOM 762 CG LEU A 50 3.468 7.790 6.392 1.00 0.00 C ATOM 763 CD1 LEU A 50 2.582 7.620 5.154 1.00 0.00 C ATOM 764 CD2 LEU A 50 2.737 8.614 7.448 1.00 0.00 C ATOM 0 H LEU A 50 6.567 6.807 6.806 1.00 0.00 H new ATOM 0 HA LEU A 50 4.514 6.848 8.944 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.174 5.780 6.139 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.955 5.959 7.385 1.00 0.00 H new ATOM 0 HG LEU A 50 4.379 8.314 6.105 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.318 8.601 4.758 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.123 7.056 4.394 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.674 7.083 5.427 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.472 9.586 7.032 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.831 8.091 7.755 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.385 8.754 8.313 1.00 0.00 H new ATOM 776 N SER A 51 4.685 4.148 8.870 1.00 0.00 N ATOM 777 CA SER A 51 4.977 2.722 8.945 1.00 0.00 C ATOM 778 C SER A 51 3.782 1.899 8.468 1.00 0.00 C ATOM 779 O SER A 51 2.649 2.391 8.397 1.00 0.00 O ATOM 780 CB SER A 51 5.469 2.342 10.349 1.00 0.00 C ATOM 781 OG SER A 51 6.448 1.329 10.234 1.00 0.00 O ATOM 0 H SER A 51 3.840 4.425 9.369 1.00 0.00 H new ATOM 0 HA SER A 51 5.795 2.485 8.265 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.887 3.215 10.851 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.636 1.993 10.959 1.00 0.00 H new ATOM 0 HG SER A 51 7.194 1.655 9.689 1.00 0.00 H new ATOM 787 N VAL A 52 4.044 0.637 8.147 1.00 0.00 N ATOM 788 CA VAL A 52 3.126 -0.339 7.582 1.00 0.00 C ATOM 789 C VAL A 52 3.393 -1.651 8.314 1.00 0.00 C ATOM 790 O VAL A 52 4.542 -1.953 8.656 1.00 0.00 O ATOM 791 CB VAL A 52 3.390 -0.471 6.065 1.00 0.00 C ATOM 792 CG1 VAL A 52 2.700 -1.684 5.418 1.00 0.00 C ATOM 793 CG2 VAL A 52 2.993 0.786 5.285 1.00 0.00 C ATOM 0 H VAL A 52 4.974 0.242 8.286 1.00 0.00 H new ATOM 0 HA VAL A 52 2.083 -0.046 7.703 1.00 0.00 H new ATOM 0 HB VAL A 52 4.469 -0.615 6.001 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.932 -1.709 4.353 1.00 0.00 H new ATOM 0 HG12 VAL A 52 3.057 -2.600 5.889 1.00 0.00 H new ATOM 0 HG13 VAL A 52 1.621 -1.604 5.553 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.200 0.637 4.225 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.929 0.979 5.423 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.567 1.638 5.651 1.00 0.00 H new ATOM 803 N THR A 53 2.348 -2.448 8.518 1.00 0.00 N ATOM 804 CA THR A 53 2.450 -3.774 9.103 1.00 0.00 C ATOM 805 C THR A 53 1.601 -4.759 8.282 1.00 0.00 C ATOM 806 O THR A 53 0.757 -4.331 7.485 1.00 0.00 O ATOM 807 CB THR A 53 2.038 -3.695 10.580 1.00 0.00 C ATOM 808 OG1 THR A 53 0.745 -3.135 10.748 1.00 0.00 O ATOM 809 CG2 THR A 53 2.998 -2.891 11.459 1.00 0.00 C ATOM 0 H THR A 53 1.393 -2.183 8.276 1.00 0.00 H new ATOM 0 HA THR A 53 3.474 -4.146 9.074 1.00 0.00 H new ATOM 0 HB THR A 53 2.056 -4.736 10.902 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.307 -3.054 9.875 1.00 0.00 H new ATOM 0 HG21 THR A 53 2.633 -2.885 12.486 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.988 -3.347 11.428 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.058 -1.867 11.090 1.00 0.00 H new ATOM 817 N PHE A 54 1.824 -6.065 8.454 1.00 0.00 N ATOM 818 CA PHE A 54 1.176 -7.122 7.678 1.00 0.00 C ATOM 819 C PHE A 54 0.174 -7.850 8.554 1.00 0.00 C ATOM 820 O PHE A 54 0.544 -8.282 9.647 1.00 0.00 O ATOM 821 CB PHE A 54 2.231 -8.118 7.175 1.00 0.00 C ATOM 822 CG PHE A 54 3.352 -7.535 6.339 1.00 0.00 C ATOM 823 CD1 PHE A 54 3.116 -6.446 5.484 1.00 0.00 C ATOM 824 CD2 PHE A 54 4.636 -8.102 6.394 1.00 0.00 C ATOM 825 CE1 PHE A 54 4.133 -5.950 4.654 1.00 0.00 C ATOM 826 CE2 PHE A 54 5.663 -7.585 5.588 1.00 0.00 C ATOM 827 CZ PHE A 54 5.414 -6.521 4.705 1.00 0.00 C ATOM 0 H PHE A 54 2.475 -6.423 9.153 1.00 0.00 H new ATOM 0 HA PHE A 54 0.663 -6.678 6.825 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.671 -8.617 8.038 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.727 -8.884 6.586 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.140 -5.985 5.465 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.833 -8.933 7.055 1.00 0.00 H new ATOM 0 HE1 PHE A 54 3.931 -5.132 3.979 1.00 0.00 H new ATOM 0 HE2 PHE A 54 6.654 -8.010 5.647 1.00 0.00 H new ATOM 0 HZ PHE A 54 6.203 -6.145 4.070 1.00 0.00 H new ATOM 837 N PHE A 55 -1.068 -8.019 8.082 1.00 0.00 N ATOM 838 CA PHE A 55 -2.135 -8.567 8.907 1.00 0.00 C ATOM 839 C PHE A 55 -1.714 -9.861 9.631 1.00 0.00 C ATOM 840 O PHE A 55 -0.958 -10.660 9.070 1.00 0.00 O ATOM 841 CB PHE A 55 -3.393 -8.810 8.045 1.00 0.00 C ATOM 842 CG PHE A 55 -4.657 -8.168 8.585 1.00 0.00 C ATOM 843 CD1 PHE A 55 -4.728 -6.774 8.766 1.00 0.00 C ATOM 844 CD2 PHE A 55 -5.744 -8.976 8.976 1.00 0.00 C ATOM 845 CE1 PHE A 55 -5.888 -6.193 9.302 1.00 0.00 C ATOM 846 CE2 PHE A 55 -6.892 -8.395 9.538 1.00 0.00 C ATOM 847 CZ PHE A 55 -6.970 -7.001 9.690 1.00 0.00 C ATOM 0 H PHE A 55 -1.352 -7.782 7.131 1.00 0.00 H new ATOM 0 HA PHE A 55 -2.361 -7.834 9.681 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.208 -8.431 7.040 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.555 -9.884 7.956 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.889 -6.151 8.492 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.693 -10.047 8.843 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -5.949 -5.121 9.417 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.715 -9.020 9.853 1.00 0.00 H new ATOM 0 HZ PHE A 55 -7.860 -6.551 10.104 1.00 0.00 H new ATOM 857 N PRO A 56 -2.305 -10.164 10.798 1.00 0.00 N ATOM 858 CA PRO A 56 -3.180 -9.289 11.567 1.00 0.00 C ATOM 859 C PRO A 56 -2.474 -8.111 12.263 1.00 0.00 C ATOM 860 O PRO A 56 -3.096 -7.457 13.101 1.00 0.00 O ATOM 861 CB PRO A 56 -3.862 -10.220 12.572 1.00 0.00 C ATOM 862 CG PRO A 56 -2.751 -11.221 12.892 1.00 0.00 C ATOM 863 CD PRO A 56 -2.060 -11.392 11.538 1.00 0.00 C ATOM 0 HA PRO A 56 -3.881 -8.782 10.904 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.196 -9.685 13.461 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -4.739 -10.708 12.145 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -2.068 -10.840 13.651 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -3.150 -12.164 13.266 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -0.991 -11.563 11.666 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -2.459 -12.254 11.004 1.00 0.00 H new ATOM 871 N ASP A 57 -1.217 -7.796 11.937 1.00 0.00 N ATOM 872 CA ASP A 57 -0.610 -6.565 12.388 1.00 0.00 C ATOM 873 C ASP A 57 -1.208 -5.421 11.570 1.00 0.00 C ATOM 874 O ASP A 57 -0.926 -5.286 10.377 1.00 0.00 O ATOM 875 CB ASP A 57 0.904 -6.543 12.196 1.00 0.00 C ATOM 876 CG ASP A 57 1.743 -7.609 12.874 1.00 0.00 C ATOM 877 OD1 ASP A 57 1.215 -8.524 13.541 1.00 0.00 O ATOM 878 OD2 ASP A 57 2.986 -7.476 12.826 1.00 0.00 O ATOM 0 H ASP A 57 -0.611 -8.382 11.363 1.00 0.00 H new ATOM 0 HA ASP A 57 -0.808 -6.467 13.455 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.102 -6.599 11.126 1.00 0.00 H new ATOM 0 HB3 ASP A 57 1.266 -5.573 12.536 1.00 0.00 H new ATOM 883 N LEU A 58 -1.989 -4.551 12.202 1.00 0.00 N ATOM 884 CA LEU A 58 -2.468 -3.287 11.648 1.00 0.00 C ATOM 885 C LEU A 58 -2.046 -2.122 12.551 1.00 0.00 C ATOM 886 O LEU A 58 -2.744 -1.112 12.628 1.00 0.00 O ATOM 887 CB LEU A 58 -3.978 -3.341 11.349 1.00 0.00 C ATOM 888 CG LEU A 58 -4.876 -3.602 12.577 1.00 0.00 C ATOM 889 CD1 LEU A 58 -6.051 -2.623 12.607 1.00 0.00 C ATOM 890 CD2 LEU A 58 -5.440 -5.024 12.560 1.00 0.00 C ATOM 0 H LEU A 58 -2.320 -4.713 13.153 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.997 -3.112 10.681 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.277 -2.397 10.893 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.160 -4.123 10.612 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.253 -3.467 13.461 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.671 -2.825 13.481 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.673 -1.602 12.659 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.648 -2.743 11.703 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.068 -5.177 13.438 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -6.035 -5.169 11.658 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.619 -5.741 12.572 1.00 0.00 H new ATOM 902 N ASN A 59 -0.918 -2.262 13.251 1.00 0.00 N ATOM 903 CA ASN A 59 -0.355 -1.260 14.154 1.00 0.00 C ATOM 904 C ASN A 59 0.371 -0.152 13.394 1.00 0.00 C ATOM 905 O ASN A 59 0.611 0.913 13.962 1.00 0.00 O ATOM 906 CB ASN A 59 0.633 -1.906 15.134 1.00 0.00 C ATOM 907 CG ASN A 59 0.032 -3.111 15.835 1.00 0.00 C ATOM 908 OD1 ASN A 59 -0.662 -3.015 16.845 1.00 0.00 O ATOM 909 ND2 ASN A 59 0.279 -4.280 15.283 1.00 0.00 N ATOM 0 H ASN A 59 -0.352 -3.109 13.201 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.193 -0.825 14.698 1.00 0.00 H new ATOM 0 HB2 ASN A 59 1.531 -2.210 14.596 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.940 -1.170 15.877 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.108 -5.130 15.693 1.00 0.00 H new ATOM 0 HD22 ASN A 59 0.858 -4.336 14.445 1.00 0.00 H new ATOM 916 N GLY A 60 0.743 -0.382 12.128 1.00 0.00 N ATOM 917 CA GLY A 60 1.326 0.645 11.265 1.00 0.00 C ATOM 918 C GLY A 60 0.366 1.824 11.069 1.00 0.00 C ATOM 919 O GLY A 60 -0.822 1.743 11.412 1.00 0.00 O ATOM 0 H GLY A 60 0.646 -1.291 11.675 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.259 1.002 11.702 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.573 0.211 10.296 1.00 0.00 H new ATOM 923 N ASP A 61 0.832 2.932 10.486 1.00 0.00 N ATOM 924 CA ASP A 61 -0.086 3.988 10.056 1.00 0.00 C ATOM 925 C ASP A 61 -1.041 3.425 9.004 1.00 0.00 C ATOM 926 O ASP A 61 -2.252 3.643 9.043 1.00 0.00 O ATOM 927 CB ASP A 61 0.632 5.215 9.473 1.00 0.00 C ATOM 928 CG ASP A 61 -0.332 6.407 9.464 1.00 0.00 C ATOM 929 OD1 ASP A 61 -1.082 6.575 10.452 1.00 0.00 O ATOM 930 OD2 ASP A 61 -0.336 7.203 8.506 1.00 0.00 O ATOM 0 H ASP A 61 1.818 3.119 10.304 1.00 0.00 H new ATOM 0 HA ASP A 61 -0.624 4.322 10.943 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.515 5.451 10.067 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.976 5.003 8.461 1.00 0.00 H new ATOM 935 N VAL A 62 -0.480 2.610 8.119 1.00 0.00 N ATOM 936 CA VAL A 62 -1.113 1.981 6.979 1.00 0.00 C ATOM 937 C VAL A 62 -0.983 0.455 7.178 1.00 0.00 C ATOM 938 O VAL A 62 -0.252 -0.001 8.061 1.00 0.00 O ATOM 939 CB VAL A 62 -0.406 2.575 5.740 1.00 0.00 C ATOM 940 CG1 VAL A 62 -0.754 1.864 4.428 1.00 0.00 C ATOM 941 CG2 VAL A 62 -0.638 4.097 5.637 1.00 0.00 C ATOM 0 H VAL A 62 0.505 2.356 8.190 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.180 2.165 6.854 1.00 0.00 H new ATOM 0 HB VAL A 62 0.659 2.399 5.894 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.220 2.338 3.605 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.463 0.816 4.494 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.827 1.932 4.251 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.128 4.484 4.755 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.706 4.297 5.555 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -0.244 4.586 6.528 1.00 0.00 H new ATOM 951 N VAL A 63 -1.719 -0.347 6.409 1.00 0.00 N ATOM 952 CA VAL A 63 -1.840 -1.796 6.616 1.00 0.00 C ATOM 953 C VAL A 63 -1.510 -2.512 5.293 1.00 0.00 C ATOM 954 O VAL A 63 -1.437 -1.866 4.243 1.00 0.00 O ATOM 955 CB VAL A 63 -3.266 -2.092 7.159 1.00 0.00 C ATOM 956 CG1 VAL A 63 -3.428 -3.529 7.673 1.00 0.00 C ATOM 957 CG2 VAL A 63 -3.667 -1.155 8.319 1.00 0.00 C ATOM 0 H VAL A 63 -2.257 -0.007 5.612 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.134 -2.173 7.356 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.912 -1.929 6.297 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -4.445 -3.672 8.038 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.232 -4.230 6.862 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.722 -3.707 8.485 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -4.672 -1.406 8.659 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.964 -1.275 9.143 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.649 -0.121 7.974 1.00 0.00 H new ATOM 967 N ALA A 64 -1.318 -3.833 5.306 1.00 0.00 N ATOM 968 CA ALA A 64 -1.295 -4.678 4.117 1.00 0.00 C ATOM 969 C ALA A 64 -2.185 -5.896 4.343 1.00 0.00 C ATOM 970 O ALA A 64 -2.436 -6.285 5.487 1.00 0.00 O ATOM 971 CB ALA A 64 0.127 -5.144 3.804 1.00 0.00 C ATOM 0 H ALA A 64 -1.170 -4.356 6.169 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.663 -4.095 3.273 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.116 -5.772 2.913 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.764 -4.277 3.629 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.516 -5.716 4.646 1.00 0.00 H new ATOM 977 N ILE A 65 -2.619 -6.513 3.247 1.00 0.00 N ATOM 978 CA ILE A 65 -3.504 -7.663 3.216 1.00 0.00 C ATOM 979 C ILE A 65 -2.893 -8.680 2.233 1.00 0.00 C ATOM 980 O ILE A 65 -2.203 -8.298 1.282 1.00 0.00 O ATOM 981 CB ILE A 65 -4.927 -7.182 2.831 1.00 0.00 C ATOM 982 CG1 ILE A 65 -5.557 -6.247 3.896 1.00 0.00 C ATOM 983 CG2 ILE A 65 -5.895 -8.335 2.542 1.00 0.00 C ATOM 984 CD1 ILE A 65 -5.914 -6.907 5.239 1.00 0.00 C ATOM 0 H ILE A 65 -2.347 -6.206 2.313 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.603 -8.157 4.182 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.779 -6.616 1.911 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.864 -5.428 4.088 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.462 -5.808 3.477 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.873 -7.932 2.279 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.513 -8.931 1.713 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.988 -8.963 3.428 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -6.347 -6.162 5.907 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.635 -7.707 5.071 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.013 -7.321 5.692 1.00 0.00 H new ATOM 996 N ASP A 66 -3.150 -9.971 2.443 1.00 0.00 N ATOM 997 CA ASP A 66 -2.757 -11.047 1.536 1.00 0.00 C ATOM 998 C ASP A 66 -3.447 -10.835 0.184 1.00 0.00 C ATOM 999 O ASP A 66 -4.681 -10.758 0.118 1.00 0.00 O ATOM 1000 CB ASP A 66 -3.123 -12.418 2.143 1.00 0.00 C ATOM 1001 CG ASP A 66 -2.627 -13.618 1.317 1.00 0.00 C ATOM 1002 OD1 ASP A 66 -2.651 -13.570 0.069 1.00 0.00 O ATOM 1003 OD2 ASP A 66 -2.196 -14.631 1.923 1.00 0.00 O ATOM 0 H ASP A 66 -3.649 -10.304 3.268 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.677 -11.032 1.387 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.705 -12.483 3.147 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.206 -12.482 2.244 1.00 0.00 H new ATOM 1008 N TYR A 67 -2.646 -10.776 -0.888 1.00 0.00 N ATOM 1009 CA TYR A 67 -3.059 -10.704 -2.293 1.00 0.00 C ATOM 1010 C TYR A 67 -4.219 -11.637 -2.668 1.00 0.00 C ATOM 1011 O TYR A 67 -4.925 -11.332 -3.622 1.00 0.00 O ATOM 1012 CB TYR A 67 -1.832 -11.013 -3.179 1.00 0.00 C ATOM 1013 CG TYR A 67 -2.113 -11.403 -4.627 1.00 0.00 C ATOM 1014 CD1 TYR A 67 -2.375 -12.752 -4.940 1.00 0.00 C ATOM 1015 CD2 TYR A 67 -2.153 -10.436 -5.650 1.00 0.00 C ATOM 1016 CE1 TYR A 67 -2.720 -13.128 -6.249 1.00 0.00 C ATOM 1017 CE2 TYR A 67 -2.458 -10.812 -6.975 1.00 0.00 C ATOM 1018 CZ TYR A 67 -2.769 -12.158 -7.275 1.00 0.00 C ATOM 1019 OH TYR A 67 -3.112 -12.541 -8.540 1.00 0.00 O ATOM 0 H TYR A 67 -1.631 -10.777 -0.790 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.436 -9.695 -2.458 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -1.185 -10.136 -3.182 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.270 -11.822 -2.712 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.310 -13.503 -4.167 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -1.949 -9.401 -5.419 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.948 -14.160 -6.471 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -2.454 -10.071 -7.761 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.102 -11.760 -9.132 1.00 0.00 H new ATOM 1029 N ARG A 68 -4.465 -12.742 -1.956 1.00 0.00 N ATOM 1030 CA ARG A 68 -5.582 -13.650 -2.216 1.00 0.00 C ATOM 1031 C ARG A 68 -6.945 -12.956 -2.264 1.00 0.00 C ATOM 1032 O ARG A 68 -7.872 -13.480 -2.876 1.00 0.00 O ATOM 1033 CB ARG A 68 -5.576 -14.752 -1.148 1.00 0.00 C ATOM 1034 CG ARG A 68 -6.059 -14.269 0.231 1.00 0.00 C ATOM 1035 CD ARG A 68 -5.805 -15.359 1.266 1.00 0.00 C ATOM 1036 NE ARG A 68 -6.434 -15.060 2.560 1.00 0.00 N ATOM 1037 CZ ARG A 68 -6.675 -15.979 3.500 1.00 0.00 C ATOM 1038 NH1 ARG A 68 -6.182 -17.207 3.384 1.00 0.00 N ATOM 1039 NH2 ARG A 68 -7.435 -15.679 4.538 1.00 0.00 N ATOM 0 H ARG A 68 -3.883 -13.033 -1.171 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.437 -14.071 -3.211 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.211 -15.573 -1.480 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -4.566 -15.149 -1.052 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.535 -13.355 0.513 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.121 -14.029 0.193 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -6.186 -16.309 0.891 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.731 -15.480 1.406 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.702 -14.095 2.752 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.615 -17.454 2.573 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.371 -17.903 4.106 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.838 -14.746 4.622 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.619 -16.381 5.255 1.00 0.00 H new ATOM 1053 N HIS A 69 -7.093 -11.816 -1.593 1.00 0.00 N ATOM 1054 CA HIS A 69 -8.309 -11.018 -1.647 1.00 0.00 C ATOM 1055 C HIS A 69 -8.502 -10.366 -3.022 1.00 0.00 C ATOM 1056 O HIS A 69 -9.626 -9.986 -3.365 1.00 0.00 O ATOM 1057 CB HIS A 69 -8.196 -9.918 -0.594 1.00 0.00 C ATOM 1058 CG HIS A 69 -8.647 -10.300 0.785 1.00 0.00 C ATOM 1059 ND1 HIS A 69 -7.846 -10.712 1.824 1.00 0.00 N ATOM 1060 CD2 HIS A 69 -9.906 -10.105 1.273 1.00 0.00 C ATOM 1061 CE1 HIS A 69 -8.616 -10.739 2.927 1.00 0.00 C ATOM 1062 NE2 HIS A 69 -9.877 -10.370 2.643 1.00 0.00 N ATOM 0 H HIS A 69 -6.368 -11.421 -0.995 1.00 0.00 H new ATOM 0 HA HIS A 69 -9.163 -11.669 -1.462 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.157 -9.594 -0.541 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -8.781 -9.060 -0.925 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -6.856 -10.952 1.769 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -10.770 -9.800 0.702 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -8.267 -11.020 3.910 1.00 0.00 H new ATOM 1070 N TYR A 70 -7.427 -10.156 -3.787 1.00 0.00 N ATOM 1071 CA TYR A 70 -7.456 -9.392 -5.016 1.00 0.00 C ATOM 1072 C TYR A 70 -8.293 -10.117 -6.068 1.00 0.00 C ATOM 1073 O TYR A 70 -7.852 -11.028 -6.767 1.00 0.00 O ATOM 1074 CB TYR A 70 -6.059 -9.034 -5.531 1.00 0.00 C ATOM 1075 CG TYR A 70 -6.048 -8.127 -6.757 1.00 0.00 C ATOM 1076 CD1 TYR A 70 -7.196 -7.427 -7.191 1.00 0.00 C ATOM 1077 CD2 TYR A 70 -4.863 -8.028 -7.505 1.00 0.00 C ATOM 1078 CE1 TYR A 70 -7.157 -6.677 -8.378 1.00 0.00 C ATOM 1079 CE2 TYR A 70 -4.823 -7.305 -8.708 1.00 0.00 C ATOM 1080 CZ TYR A 70 -5.980 -6.635 -9.156 1.00 0.00 C ATOM 1081 OH TYR A 70 -5.995 -5.976 -10.349 1.00 0.00 O ATOM 0 H TYR A 70 -6.503 -10.522 -3.558 1.00 0.00 H new ATOM 0 HA TYR A 70 -7.934 -8.437 -4.797 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.504 -8.546 -4.729 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -5.528 -9.955 -5.772 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -8.105 -7.469 -6.609 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -3.968 -8.516 -7.149 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -8.032 -6.130 -8.697 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -3.912 -7.262 -9.286 1.00 0.00 H new ATOM 0 HH TYR A 70 -5.110 -6.035 -10.766 1.00 0.00 H new ATOM 1091 N SER A 71 -9.531 -9.654 -6.174 1.00 0.00 N ATOM 1092 CA SER A 71 -10.598 -10.281 -6.916 1.00 0.00 C ATOM 1093 C SER A 71 -10.894 -9.622 -8.270 1.00 0.00 C ATOM 1094 O SER A 71 -11.986 -9.809 -8.803 1.00 0.00 O ATOM 1095 CB SER A 71 -11.819 -10.259 -5.988 1.00 0.00 C ATOM 1096 OG SER A 71 -11.620 -11.084 -4.849 1.00 0.00 O ATOM 0 H SER A 71 -9.825 -8.789 -5.720 1.00 0.00 H new ATOM 0 HA SER A 71 -10.310 -11.296 -7.190 1.00 0.00 H new ATOM 0 HB2 SER A 71 -12.016 -9.236 -5.668 1.00 0.00 H new ATOM 0 HB3 SER A 71 -12.699 -10.597 -6.535 1.00 0.00 H new ATOM 0 HG SER A 71 -10.861 -10.746 -4.329 1.00 0.00 H new ATOM 1102 N ALA A 72 -9.992 -8.801 -8.821 1.00 0.00 N ATOM 1103 CA ALA A 72 -10.230 -7.848 -9.922 1.00 0.00 C ATOM 1104 C ALA A 72 -11.293 -6.775 -9.614 1.00 0.00 C ATOM 1105 O ALA A 72 -11.261 -5.691 -10.196 1.00 0.00 O ATOM 1106 CB ALA A 72 -10.523 -8.568 -11.242 1.00 0.00 C ATOM 0 H ALA A 72 -9.025 -8.779 -8.497 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.293 -7.302 -10.032 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -10.693 -7.832 -12.028 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -9.673 -9.196 -11.510 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -11.412 -9.189 -11.128 1.00 0.00 H new ATOM 1112 N SER A 73 -12.162 -6.992 -8.626 1.00 0.00 N ATOM 1113 CA SER A 73 -13.051 -5.999 -8.030 1.00 0.00 C ATOM 1114 C SER A 73 -12.257 -4.795 -7.496 1.00 0.00 C ATOM 1115 O SER A 73 -12.769 -3.681 -7.427 1.00 0.00 O ATOM 1116 CB SER A 73 -13.840 -6.663 -6.881 1.00 0.00 C ATOM 1117 OG SER A 73 -13.899 -8.082 -6.980 1.00 0.00 O ATOM 0 H SER A 73 -12.269 -7.912 -8.200 1.00 0.00 H new ATOM 0 HA SER A 73 -13.737 -5.633 -8.794 1.00 0.00 H new ATOM 0 HB2 SER A 73 -13.380 -6.392 -5.931 1.00 0.00 H new ATOM 0 HB3 SER A 73 -14.855 -6.265 -6.870 1.00 0.00 H new ATOM 0 HG SER A 73 -14.409 -8.442 -6.224 1.00 0.00 H new ATOM 1123 N PHE A 74 -10.990 -5.026 -7.131 1.00 0.00 N ATOM 1124 CA PHE A 74 -10.113 -4.100 -6.428 1.00 0.00 C ATOM 1125 C PHE A 74 -8.964 -3.597 -7.305 1.00 0.00 C ATOM 1126 O PHE A 74 -7.946 -3.153 -6.778 1.00 0.00 O ATOM 1127 CB PHE A 74 -9.584 -4.769 -5.148 1.00 0.00 C ATOM 1128 CG PHE A 74 -10.600 -5.451 -4.237 1.00 0.00 C ATOM 1129 CD1 PHE A 74 -11.248 -4.734 -3.213 1.00 0.00 C ATOM 1130 CD2 PHE A 74 -10.841 -6.832 -4.357 1.00 0.00 C ATOM 1131 CE1 PHE A 74 -12.128 -5.383 -2.329 1.00 0.00 C ATOM 1132 CE2 PHE A 74 -11.716 -7.485 -3.467 1.00 0.00 C ATOM 1133 CZ PHE A 74 -12.364 -6.759 -2.455 1.00 0.00 C ATOM 0 H PHE A 74 -10.530 -5.914 -7.332 1.00 0.00 H new ATOM 0 HA PHE A 74 -10.698 -3.219 -6.163 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.842 -5.512 -5.439 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -9.064 -4.011 -4.563 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.067 -3.675 -3.105 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -10.351 -7.396 -5.137 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -12.623 -4.820 -1.551 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -11.889 -8.547 -3.563 1.00 0.00 H new ATOM 0 HZ PHE A 74 -13.041 -7.258 -1.777 1.00 0.00 H new ATOM 1143 N LYS A 75 -9.051 -3.691 -8.637 1.00 0.00 N ATOM 1144 CA LYS A 75 -7.980 -3.295 -9.538 1.00 0.00 C ATOM 1145 C LYS A 75 -7.569 -1.833 -9.372 1.00 0.00 C ATOM 1146 O LYS A 75 -6.428 -1.500 -9.696 1.00 0.00 O ATOM 1147 CB LYS A 75 -8.410 -3.663 -10.967 1.00 0.00 C ATOM 1148 CG LYS A 75 -9.061 -2.578 -11.836 1.00 0.00 C ATOM 1149 CD LYS A 75 -8.048 -1.741 -12.639 1.00 0.00 C ATOM 1150 CE LYS A 75 -8.757 -0.929 -13.727 1.00 0.00 C ATOM 1151 NZ LYS A 75 -9.208 -1.770 -14.854 1.00 0.00 N ATOM 0 H LYS A 75 -9.877 -4.048 -9.117 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.068 -3.839 -9.292 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.529 -4.027 -11.495 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.108 -4.497 -10.899 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.760 -3.049 -12.527 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.643 -1.914 -11.197 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.511 -1.069 -11.969 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.306 -2.397 -13.094 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.616 -0.417 -13.293 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -8.082 -0.159 -14.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -9.479 -1.163 -15.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -8.436 -2.403 -15.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.027 -2.338 -14.557 1.00 0.00 H new ATOM 1165 N LYS A 76 -8.467 -0.969 -8.893 1.00 0.00 N ATOM 1166 CA LYS A 76 -8.220 0.455 -8.677 1.00 0.00 C ATOM 1167 C LYS A 76 -7.809 0.761 -7.230 1.00 0.00 C ATOM 1168 O LYS A 76 -7.875 1.913 -6.806 1.00 0.00 O ATOM 1169 CB LYS A 76 -9.432 1.274 -9.132 1.00 0.00 C ATOM 1170 CG LYS A 76 -9.721 1.032 -10.620 1.00 0.00 C ATOM 1171 CD LYS A 76 -10.536 2.182 -11.218 1.00 0.00 C ATOM 1172 CE LYS A 76 -10.902 1.830 -12.660 1.00 0.00 C ATOM 1173 NZ LYS A 76 -12.041 2.613 -13.169 1.00 0.00 N ATOM 0 H LYS A 76 -9.413 -1.251 -8.638 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.368 0.751 -9.289 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.305 1.003 -8.538 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.246 2.334 -8.960 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -8.782 0.927 -11.163 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.266 0.095 -10.740 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.438 2.350 -10.630 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.960 3.107 -11.190 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.036 1.998 -13.301 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.141 0.768 -12.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.244 2.333 -14.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.877 2.434 -12.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.807 3.626 -13.140 1.00 0.00 H new ATOM 1187 N GLY A 77 -7.361 -0.247 -6.483 1.00 0.00 N ATOM 1188 CA GLY A 77 -7.009 -0.115 -5.081 1.00 0.00 C ATOM 1189 C GLY A 77 -8.198 -0.500 -4.210 1.00 0.00 C ATOM 1190 O GLY A 77 -9.247 -0.923 -4.711 1.00 0.00 O ATOM 0 H GLY A 77 -7.232 -1.191 -6.846 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.156 -0.753 -4.850 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -6.708 0.911 -4.868 1.00 0.00 H new ATOM 1194 N ALA A 78 -8.020 -0.417 -2.893 1.00 0.00 N ATOM 1195 CA ALA A 78 -9.040 -0.760 -1.921 1.00 0.00 C ATOM 1196 C ALA A 78 -8.745 -0.084 -0.584 1.00 0.00 C ATOM 1197 O ALA A 78 -7.743 0.616 -0.445 1.00 0.00 O ATOM 1198 CB ALA A 78 -9.071 -2.275 -1.761 1.00 0.00 C ATOM 0 H ALA A 78 -7.146 -0.104 -2.471 1.00 0.00 H new ATOM 0 HA ALA A 78 -10.013 -0.410 -2.266 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -9.834 -2.548 -1.032 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.303 -2.738 -2.720 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.098 -2.624 -1.416 1.00 0.00 H new ATOM 1204 N LYS A 79 -9.607 -0.291 0.407 1.00 0.00 N ATOM 1205 CA LYS A 79 -9.431 0.135 1.790 1.00 0.00 C ATOM 1206 C LYS A 79 -9.971 -0.969 2.697 1.00 0.00 C ATOM 1207 O LYS A 79 -10.784 -1.787 2.262 1.00 0.00 O ATOM 1208 CB LYS A 79 -10.157 1.472 2.039 1.00 0.00 C ATOM 1209 CG LYS A 79 -11.616 1.454 1.551 1.00 0.00 C ATOM 1210 CD LYS A 79 -12.496 2.502 2.227 1.00 0.00 C ATOM 1211 CE LYS A 79 -13.964 2.227 1.883 1.00 0.00 C ATOM 1212 NZ LYS A 79 -14.868 2.593 2.990 1.00 0.00 N ATOM 0 H LYS A 79 -10.488 -0.783 0.260 1.00 0.00 H new ATOM 0 HA LYS A 79 -8.375 0.300 2.006 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -10.137 1.699 3.105 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -9.619 2.273 1.533 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -11.633 1.617 0.473 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.039 0.465 1.730 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.352 2.473 3.307 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -12.213 3.501 1.894 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -14.239 2.788 0.990 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -14.089 1.170 1.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -15.851 2.391 2.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.623 2.039 3.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -14.768 3.607 3.199 1.00 0.00 H new ATOM 1226 N LEU A 80 -9.499 -1.002 3.938 1.00 0.00 N ATOM 1227 CA LEU A 80 -10.049 -1.820 5.008 1.00 0.00 C ATOM 1228 C LEU A 80 -11.173 -1.000 5.660 1.00 0.00 C ATOM 1229 O LEU A 80 -11.700 -0.071 5.043 1.00 0.00 O ATOM 1230 CB LEU A 80 -8.894 -2.218 5.960 1.00 0.00 C ATOM 1231 CG LEU A 80 -9.077 -3.521 6.756 1.00 0.00 C ATOM 1232 CD1 LEU A 80 -9.256 -4.755 5.868 1.00 0.00 C ATOM 1233 CD2 LEU A 80 -7.858 -3.755 7.652 1.00 0.00 C ATOM 0 H LEU A 80 -8.699 -0.443 4.234 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.488 -2.758 4.669 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -7.981 -2.304 5.371 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.741 -1.404 6.669 1.00 0.00 H new ATOM 0 HG LEU A 80 -9.988 -3.394 7.341 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.380 -5.639 6.494 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.139 -4.627 5.241 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.377 -4.879 5.235 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.992 -4.679 8.214 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.963 -3.832 7.035 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -7.751 -2.921 8.345 1.00 0.00 H new ATOM 1245 N LEU A 81 -11.538 -1.325 6.903 1.00 0.00 N ATOM 1246 CA LEU A 81 -12.643 -0.713 7.641 1.00 0.00 C ATOM 1247 C LEU A 81 -12.532 0.805 7.613 1.00 0.00 C ATOM 1248 O LEU A 81 -13.430 1.501 7.137 1.00 0.00 O ATOM 1249 CB LEU A 81 -12.653 -1.266 9.077 1.00 0.00 C ATOM 1250 CG LEU A 81 -13.974 -1.151 9.865 1.00 0.00 C ATOM 1251 CD1 LEU A 81 -14.367 0.294 10.181 1.00 0.00 C ATOM 1252 CD2 LEU A 81 -15.135 -1.852 9.157 1.00 0.00 C ATOM 0 H LEU A 81 -11.056 -2.046 7.440 1.00 0.00 H new ATOM 0 HA LEU A 81 -13.591 -0.966 7.167 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -12.374 -2.319 9.036 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -11.876 -0.752 9.643 1.00 0.00 H new ATOM 0 HG LEU A 81 -13.778 -1.658 10.810 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -15.305 0.303 10.736 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -13.586 0.761 10.781 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -14.491 0.849 9.251 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -16.042 -1.743 9.751 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -15.287 -1.403 8.176 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -14.903 -2.911 9.039 1.00 0.00 H new ATOM 1264 N HIS A 82 -11.406 1.295 8.123 1.00 0.00 N ATOM 1265 CA HIS A 82 -11.083 2.720 8.152 1.00 0.00 C ATOM 1266 C HIS A 82 -9.605 3.013 7.892 1.00 0.00 C ATOM 1267 O HIS A 82 -9.134 4.115 8.186 1.00 0.00 O ATOM 1268 CB HIS A 82 -11.563 3.340 9.472 1.00 0.00 C ATOM 1269 CG HIS A 82 -10.763 2.922 10.681 1.00 0.00 C ATOM 1270 ND1 HIS A 82 -9.986 3.754 11.455 1.00 0.00 N ATOM 1271 CD2 HIS A 82 -10.750 1.683 11.260 1.00 0.00 C ATOM 1272 CE1 HIS A 82 -9.508 3.034 12.484 1.00 0.00 C ATOM 1273 NE2 HIS A 82 -9.956 1.767 12.410 1.00 0.00 N ATOM 0 H HIS A 82 -10.681 0.706 8.534 1.00 0.00 H new ATOM 0 HA HIS A 82 -11.617 3.188 7.325 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -11.527 4.426 9.384 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -12.607 3.068 9.629 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -11.259 0.802 10.897 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -8.859 3.416 13.258 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -9.755 1.012 13.066 1.00 0.00 H new ATOM 1281 N LYS A 83 -8.846 2.028 7.400 1.00 0.00 N ATOM 1282 CA LYS A 83 -7.426 2.147 7.150 1.00 0.00 C ATOM 1283 C LYS A 83 -7.083 1.696 5.732 1.00 0.00 C ATOM 1284 O LYS A 83 -7.765 0.826 5.188 1.00 0.00 O ATOM 1285 CB LYS A 83 -6.673 1.336 8.207 1.00 0.00 C ATOM 1286 CG LYS A 83 -6.705 2.093 9.546 1.00 0.00 C ATOM 1287 CD LYS A 83 -5.311 2.292 10.121 1.00 0.00 C ATOM 1288 CE LYS A 83 -4.813 1.035 10.835 1.00 0.00 C ATOM 1289 NZ LYS A 83 -3.545 1.282 11.546 1.00 0.00 N ATOM 0 H LYS A 83 -9.221 1.110 7.163 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.121 3.191 7.225 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.129 0.353 8.321 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -5.642 1.174 7.892 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -7.180 3.064 9.403 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.316 1.541 10.260 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -4.620 2.554 9.320 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.321 3.129 10.820 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.568 0.695 11.544 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -4.674 0.234 10.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -3.332 0.475 12.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.777 1.400 10.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -3.631 2.146 12.119 1.00 0.00 H new ATOM 1303 N PRO A 84 -6.027 2.264 5.138 1.00 0.00 N ATOM 1304 CA PRO A 84 -5.582 1.932 3.790 1.00 0.00 C ATOM 1305 C PRO A 84 -4.814 0.601 3.793 1.00 0.00 C ATOM 1306 O PRO A 84 -4.183 0.255 4.797 1.00 0.00 O ATOM 1307 CB PRO A 84 -4.698 3.118 3.388 1.00 0.00 C ATOM 1308 CG PRO A 84 -4.108 3.576 4.724 1.00 0.00 C ATOM 1309 CD PRO A 84 -5.170 3.260 5.760 1.00 0.00 C ATOM 0 HA PRO A 84 -6.401 1.788 3.085 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -3.921 2.821 2.684 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -5.276 3.909 2.910 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -3.177 3.053 4.943 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -3.879 4.641 4.708 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -4.723 2.877 6.677 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -5.735 4.152 6.029 1.00 0.00 H new ATOM 1317 N ILE A 85 -4.820 -0.119 2.664 1.00 0.00 N ATOM 1318 CA ILE A 85 -4.221 -1.453 2.526 1.00 0.00 C ATOM 1319 C ILE A 85 -3.318 -1.499 1.285 1.00 0.00 C ATOM 1320 O ILE A 85 -3.393 -0.626 0.416 1.00 0.00 O ATOM 1321 CB ILE A 85 -5.309 -2.566 2.537 1.00 0.00 C ATOM 1322 CG1 ILE A 85 -6.168 -2.633 1.247 1.00 0.00 C ATOM 1323 CG2 ILE A 85 -6.231 -2.409 3.740 1.00 0.00 C ATOM 1324 CD1 ILE A 85 -5.696 -3.714 0.266 1.00 0.00 C ATOM 0 H ILE A 85 -5.251 0.217 1.802 1.00 0.00 H new ATOM 0 HA ILE A 85 -3.587 -1.652 3.390 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.754 -3.502 2.596 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.206 -2.825 1.518 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -6.143 -1.663 0.750 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.983 -3.198 3.727 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.647 -2.480 4.658 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.723 -1.437 3.697 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.337 -3.710 -0.616 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.668 -3.511 -0.032 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.748 -4.690 0.748 1.00 0.00 H new ATOM 1336 N VAL A 86 -2.505 -2.545 1.163 1.00 0.00 N ATOM 1337 CA VAL A 86 -1.833 -2.963 -0.067 1.00 0.00 C ATOM 1338 C VAL A 86 -1.988 -4.476 -0.175 1.00 0.00 C ATOM 1339 O VAL A 86 -2.437 -5.117 0.780 1.00 0.00 O ATOM 1340 CB VAL A 86 -0.339 -2.567 -0.091 1.00 0.00 C ATOM 1341 CG1 VAL A 86 -0.142 -1.055 -0.137 1.00 0.00 C ATOM 1342 CG2 VAL A 86 0.463 -3.192 1.049 1.00 0.00 C ATOM 0 H VAL A 86 -2.286 -3.152 1.953 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.290 -2.456 -0.917 1.00 0.00 H new ATOM 0 HB VAL A 86 0.057 -2.980 -1.019 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.924 -0.827 -0.152 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.612 -0.654 -1.035 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.597 -0.602 0.744 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.504 -2.876 0.977 1.00 0.00 H new ATOM 0 HG22 VAL A 86 0.050 -2.868 2.004 1.00 0.00 H new ATOM 0 HG23 VAL A 86 0.408 -4.278 0.980 1.00 0.00 H new ATOM 1352 N TRP A 87 -1.577 -5.048 -1.302 1.00 0.00 N ATOM 1353 CA TRP A 87 -1.358 -6.474 -1.419 1.00 0.00 C ATOM 1354 C TRP A 87 0.093 -6.747 -1.057 1.00 0.00 C ATOM 1355 O TRP A 87 0.991 -6.087 -1.587 1.00 0.00 O ATOM 1356 CB TRP A 87 -1.644 -6.923 -2.854 1.00 0.00 C ATOM 1357 CG TRP A 87 -2.984 -6.519 -3.375 1.00 0.00 C ATOM 1358 CD1 TRP A 87 -3.188 -5.742 -4.458 1.00 0.00 C ATOM 1359 CD2 TRP A 87 -4.295 -6.706 -2.768 1.00 0.00 C ATOM 1360 NE1 TRP A 87 -4.538 -5.496 -4.610 1.00 0.00 N ATOM 1361 CE2 TRP A 87 -5.262 -6.034 -3.572 1.00 0.00 C ATOM 1362 CE3 TRP A 87 -4.762 -7.311 -1.583 1.00 0.00 C ATOM 1363 CZ2 TRP A 87 -6.620 -5.992 -3.234 1.00 0.00 C ATOM 1364 CZ3 TRP A 87 -6.120 -7.248 -1.230 1.00 0.00 C ATOM 1365 CH2 TRP A 87 -7.060 -6.624 -2.068 1.00 0.00 C ATOM 0 H TRP A 87 -1.388 -4.529 -2.159 1.00 0.00 H new ATOM 0 HA TRP A 87 -2.022 -7.026 -0.753 1.00 0.00 H new ATOM 0 HB2 TRP A 87 -0.875 -6.514 -3.509 1.00 0.00 H new ATOM 0 HB3 TRP A 87 -1.561 -8.009 -2.905 1.00 0.00 H new ATOM 0 HD1 TRP A 87 -2.412 -5.368 -5.109 1.00 0.00 H new ATOM 0 HE1 TRP A 87 -4.946 -4.982 -5.391 1.00 0.00 H new ATOM 0 HE3 TRP A 87 -4.067 -7.829 -0.939 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 -7.323 -5.475 -3.870 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 -6.447 -7.686 -0.299 1.00 0.00 H new ATOM 0 HH2 TRP A 87 -8.110 -6.633 -1.814 1.00 0.00 H new ATOM 1376 N HIS A 88 0.328 -7.746 -0.216 1.00 0.00 N ATOM 1377 CA HIS A 88 1.622 -8.396 -0.126 1.00 0.00 C ATOM 1378 C HIS A 88 1.474 -9.826 -0.628 1.00 0.00 C ATOM 1379 O HIS A 88 0.390 -10.427 -0.606 1.00 0.00 O ATOM 1380 CB HIS A 88 2.218 -8.308 1.286 1.00 0.00 C ATOM 1381 CG HIS A 88 1.565 -9.147 2.355 1.00 0.00 C ATOM 1382 ND1 HIS A 88 2.075 -10.324 2.854 1.00 0.00 N ATOM 1383 CD2 HIS A 88 0.475 -8.815 3.114 1.00 0.00 C ATOM 1384 CE1 HIS A 88 1.337 -10.676 3.914 1.00 0.00 C ATOM 1385 NE2 HIS A 88 0.337 -9.798 4.102 1.00 0.00 N ATOM 0 H HIS A 88 -0.373 -8.125 0.420 1.00 0.00 H new ATOM 0 HA HIS A 88 2.342 -7.876 -0.759 1.00 0.00 H new ATOM 0 HB2 HIS A 88 3.269 -8.590 1.229 1.00 0.00 H new ATOM 0 HB3 HIS A 88 2.184 -7.266 1.604 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -0.161 -7.953 2.976 1.00 0.00 H new ATOM 0 HE1 HIS A 88 1.520 -11.543 4.531 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -0.382 -9.839 4.824 1.00 0.00 H new ATOM 1393 N ILE A 89 2.599 -10.381 -1.059 1.00 0.00 N ATOM 1394 CA ILE A 89 2.794 -11.803 -1.242 1.00 0.00 C ATOM 1395 C ILE A 89 4.075 -12.066 -0.468 1.00 0.00 C ATOM 1396 O ILE A 89 5.083 -11.434 -0.760 1.00 0.00 O ATOM 1397 CB ILE A 89 2.903 -12.176 -2.736 1.00 0.00 C ATOM 1398 CG1 ILE A 89 1.624 -11.839 -3.534 1.00 0.00 C ATOM 1399 CG2 ILE A 89 3.202 -13.667 -2.866 1.00 0.00 C ATOM 1400 CD1 ILE A 89 1.780 -11.957 -5.057 1.00 0.00 C ATOM 0 H ILE A 89 3.424 -9.831 -1.297 1.00 0.00 H new ATOM 0 HA ILE A 89 1.961 -12.410 -0.887 1.00 0.00 H new ATOM 0 HB ILE A 89 3.713 -11.580 -3.158 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.822 -12.503 -3.210 1.00 0.00 H new ATOM 0 HG13 ILE A 89 1.315 -10.823 -3.290 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.279 -13.932 -3.920 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.143 -13.894 -2.365 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.398 -14.241 -2.406 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.836 -11.703 -5.540 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.557 -11.273 -5.397 1.00 0.00 H new ATOM 0 HD13 ILE A 89 2.057 -12.979 -5.316 1.00 0.00 H new ATOM 1412 N ASN A 90 4.027 -12.933 0.542 1.00 0.00 N ATOM 1413 CA ASN A 90 5.177 -13.434 1.286 1.00 0.00 C ATOM 1414 C ASN A 90 6.185 -12.369 1.762 1.00 0.00 C ATOM 1415 O ASN A 90 7.390 -12.623 1.796 1.00 0.00 O ATOM 1416 CB ASN A 90 5.810 -14.631 0.546 1.00 0.00 C ATOM 1417 CG ASN A 90 6.553 -14.397 -0.769 1.00 0.00 C ATOM 1418 OD1 ASN A 90 6.234 -15.013 -1.784 1.00 0.00 O ATOM 1419 ND2 ASN A 90 7.613 -13.614 -0.763 1.00 0.00 N ATOM 0 H ASN A 90 3.145 -13.321 0.877 1.00 0.00 H new ATOM 0 HA ASN A 90 4.791 -13.796 2.239 1.00 0.00 H new ATOM 0 HB2 ASN A 90 6.507 -15.108 1.234 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.015 -15.350 0.348 1.00 0.00 H new ATOM 0 HD21 ASN A 90 8.178 -13.514 -1.606 1.00 0.00 H new ATOM 0 HD22 ASN A 90 7.868 -13.108 0.085 1.00 0.00 H new ATOM 1426 N GLN A 91 5.707 -11.207 2.224 1.00 0.00 N ATOM 1427 CA GLN A 91 6.529 -10.060 2.633 1.00 0.00 C ATOM 1428 C GLN A 91 7.381 -9.484 1.484 1.00 0.00 C ATOM 1429 O GLN A 91 8.470 -8.960 1.724 1.00 0.00 O ATOM 1430 CB GLN A 91 7.391 -10.355 3.875 1.00 0.00 C ATOM 1431 CG GLN A 91 6.642 -11.016 5.039 1.00 0.00 C ATOM 1432 CD GLN A 91 7.554 -11.118 6.255 1.00 0.00 C ATOM 1433 OE1 GLN A 91 7.416 -10.362 7.214 1.00 0.00 O ATOM 1434 NE2 GLN A 91 8.526 -12.013 6.214 1.00 0.00 N ATOM 0 H GLN A 91 4.707 -11.033 2.327 1.00 0.00 H new ATOM 0 HA GLN A 91 5.815 -9.286 2.914 1.00 0.00 H new ATOM 0 HB2 GLN A 91 8.218 -11.001 3.580 1.00 0.00 H new ATOM 0 HB3 GLN A 91 7.827 -9.420 4.227 1.00 0.00 H new ATOM 0 HG2 GLN A 91 5.754 -10.435 5.288 1.00 0.00 H new ATOM 0 HG3 GLN A 91 6.301 -12.009 4.746 1.00 0.00 H new ATOM 0 HE21 GLN A 91 8.619 -12.629 5.406 1.00 0.00 H new ATOM 0 HE22 GLN A 91 9.183 -12.088 6.990 1.00 0.00 H new ATOM 1443 N ALA A 92 6.930 -9.604 0.234 1.00 0.00 N ATOM 1444 CA ALA A 92 7.587 -9.028 -0.930 1.00 0.00 C ATOM 1445 C ALA A 92 6.560 -8.320 -1.819 1.00 0.00 C ATOM 1446 O ALA A 92 5.354 -8.580 -1.733 1.00 0.00 O ATOM 1447 CB ALA A 92 8.314 -10.142 -1.692 1.00 0.00 C ATOM 0 H ALA A 92 6.079 -10.116 0.003 1.00 0.00 H new ATOM 0 HA ALA A 92 8.318 -8.283 -0.617 1.00 0.00 H new ATOM 0 HB1 ALA A 92 8.810 -9.721 -2.567 1.00 0.00 H new ATOM 0 HB2 ALA A 92 9.056 -10.604 -1.041 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.593 -10.895 -2.011 1.00 0.00 H new ATOM 1453 N THR A 93 7.050 -7.452 -2.706 1.00 0.00 N ATOM 1454 CA THR A 93 6.302 -6.899 -3.826 1.00 0.00 C ATOM 1455 C THR A 93 6.806 -7.628 -5.077 1.00 0.00 C ATOM 1456 O THR A 93 7.871 -8.253 -5.059 1.00 0.00 O ATOM 1457 CB THR A 93 6.385 -5.355 -3.859 1.00 0.00 C ATOM 1458 OG1 THR A 93 5.581 -4.820 -4.887 1.00 0.00 O ATOM 1459 CG2 THR A 93 7.789 -4.779 -3.982 1.00 0.00 C ATOM 0 H THR A 93 8.009 -7.107 -2.659 1.00 0.00 H new ATOM 0 HA THR A 93 5.229 -7.070 -3.744 1.00 0.00 H new ATOM 0 HB THR A 93 6.014 -5.056 -2.879 1.00 0.00 H new ATOM 0 HG1 THR A 93 5.652 -3.843 -4.883 1.00 0.00 H new ATOM 0 HG21 THR A 93 7.736 -3.690 -3.996 1.00 0.00 H new ATOM 0 HG22 THR A 93 8.390 -5.102 -3.132 1.00 0.00 H new ATOM 0 HG23 THR A 93 8.247 -5.132 -4.906 1.00 0.00 H new ATOM 1467 N THR A 94 6.021 -7.602 -6.142 1.00 0.00 N ATOM 1468 CA THR A 94 6.268 -8.253 -7.420 1.00 0.00 C ATOM 1469 C THR A 94 5.735 -7.298 -8.488 1.00 0.00 C ATOM 1470 O THR A 94 4.962 -6.394 -8.164 1.00 0.00 O ATOM 1471 CB THR A 94 5.521 -9.605 -7.473 1.00 0.00 C ATOM 1472 OG1 THR A 94 4.155 -9.411 -7.158 1.00 0.00 O ATOM 1473 CG2 THR A 94 6.072 -10.676 -6.526 1.00 0.00 C ATOM 0 H THR A 94 5.137 -7.093 -6.137 1.00 0.00 H new ATOM 0 HA THR A 94 7.327 -8.462 -7.573 1.00 0.00 H new ATOM 0 HB THR A 94 5.663 -9.969 -8.491 1.00 0.00 H new ATOM 0 HG1 THR A 94 3.720 -10.281 -7.038 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.487 -11.590 -6.631 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.113 -10.881 -6.775 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.008 -10.320 -5.498 1.00 0.00 H new ATOM 1481 N LYS A 95 6.036 -7.517 -9.772 1.00 0.00 N ATOM 1482 CA LYS A 95 5.404 -6.736 -10.839 1.00 0.00 C ATOM 1483 C LYS A 95 3.876 -6.861 -10.735 1.00 0.00 C ATOM 1484 O LYS A 95 3.159 -5.872 -10.872 1.00 0.00 O ATOM 1485 CB LYS A 95 5.973 -7.161 -12.208 1.00 0.00 C ATOM 1486 CG LYS A 95 6.027 -6.015 -13.232 1.00 0.00 C ATOM 1487 CD LYS A 95 4.702 -5.719 -13.946 1.00 0.00 C ATOM 1488 CE LYS A 95 4.458 -6.680 -15.113 1.00 0.00 C ATOM 1489 NZ LYS A 95 3.200 -6.348 -15.810 1.00 0.00 N ATOM 0 H LYS A 95 6.703 -8.218 -10.094 1.00 0.00 H new ATOM 0 HA LYS A 95 5.635 -5.676 -10.730 1.00 0.00 H new ATOM 0 HB2 LYS A 95 6.978 -7.560 -12.067 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.363 -7.969 -12.611 1.00 0.00 H new ATOM 0 HG2 LYS A 95 6.358 -5.109 -12.724 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.781 -6.254 -13.982 1.00 0.00 H new ATOM 0 HD2 LYS A 95 3.880 -5.796 -13.234 1.00 0.00 H new ATOM 0 HD3 LYS A 95 4.709 -4.693 -14.315 1.00 0.00 H new ATOM 0 HE2 LYS A 95 5.292 -6.628 -15.813 1.00 0.00 H new ATOM 0 HE3 LYS A 95 4.415 -7.705 -14.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 3.054 -7.011 -16.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 2.405 -6.421 -15.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 3.254 -5.378 -16.180 1.00 0.00 H new ATOM 1503 N THR A 96 3.398 -8.058 -10.402 1.00 0.00 N ATOM 1504 CA THR A 96 2.008 -8.408 -10.168 1.00 0.00 C ATOM 1505 C THR A 96 1.353 -7.498 -9.122 1.00 0.00 C ATOM 1506 O THR A 96 0.258 -6.986 -9.375 1.00 0.00 O ATOM 1507 CB THR A 96 1.963 -9.894 -9.768 1.00 0.00 C ATOM 1508 OG1 THR A 96 2.822 -10.632 -10.622 1.00 0.00 O ATOM 1509 CG2 THR A 96 0.557 -10.480 -9.863 1.00 0.00 C ATOM 0 H THR A 96 4.017 -8.860 -10.282 1.00 0.00 H new ATOM 0 HA THR A 96 1.425 -8.256 -11.077 1.00 0.00 H new ATOM 0 HB THR A 96 2.285 -9.963 -8.729 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.799 -11.579 -10.371 1.00 0.00 H new ATOM 0 HG21 THR A 96 0.580 -11.530 -9.571 1.00 0.00 H new ATOM 0 HG22 THR A 96 -0.111 -9.932 -9.198 1.00 0.00 H new ATOM 0 HG23 THR A 96 0.197 -10.397 -10.888 1.00 0.00 H new ATOM 1517 N THR A 97 1.991 -7.275 -7.970 1.00 0.00 N ATOM 1518 CA THR A 97 1.430 -6.465 -6.895 1.00 0.00 C ATOM 1519 C THR A 97 1.816 -4.983 -7.032 1.00 0.00 C ATOM 1520 O THR A 97 1.145 -4.142 -6.449 1.00 0.00 O ATOM 1521 CB THR A 97 1.806 -7.073 -5.526 1.00 0.00 C ATOM 1522 OG1 THR A 97 3.200 -7.246 -5.450 1.00 0.00 O ATOM 1523 CG2 THR A 97 1.171 -8.453 -5.312 1.00 0.00 C ATOM 0 H THR A 97 2.914 -7.654 -7.760 1.00 0.00 H new ATOM 0 HA THR A 97 0.343 -6.483 -6.969 1.00 0.00 H new ATOM 0 HB THR A 97 1.440 -6.383 -4.766 1.00 0.00 H new ATOM 0 HG1 THR A 97 3.459 -8.041 -5.961 1.00 0.00 H new ATOM 0 HG21 THR A 97 1.464 -8.841 -4.336 1.00 0.00 H new ATOM 0 HG22 THR A 97 0.085 -8.365 -5.357 1.00 0.00 H new ATOM 0 HG23 THR A 97 1.512 -9.135 -6.091 1.00 0.00 H new ATOM 1531 N PHE A 98 2.788 -4.615 -7.873 1.00 0.00 N ATOM 1532 CA PHE A 98 3.315 -3.256 -8.026 1.00 0.00 C ATOM 1533 C PHE A 98 2.206 -2.323 -8.487 1.00 0.00 C ATOM 1534 O PHE A 98 1.866 -1.363 -7.797 1.00 0.00 O ATOM 1535 CB PHE A 98 4.534 -3.248 -8.977 1.00 0.00 C ATOM 1536 CG PHE A 98 4.544 -2.244 -10.124 1.00 0.00 C ATOM 1537 CD1 PHE A 98 4.573 -0.860 -9.875 1.00 0.00 C ATOM 1538 CD2 PHE A 98 4.502 -2.695 -11.457 1.00 0.00 C ATOM 1539 CE1 PHE A 98 4.618 0.050 -10.942 1.00 0.00 C ATOM 1540 CE2 PHE A 98 4.554 -1.779 -12.524 1.00 0.00 C ATOM 1541 CZ PHE A 98 4.628 -0.400 -12.270 1.00 0.00 C ATOM 0 H PHE A 98 3.248 -5.284 -8.491 1.00 0.00 H new ATOM 0 HA PHE A 98 3.671 -2.891 -7.063 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.426 -3.075 -8.374 1.00 0.00 H new ATOM 0 HB3 PHE A 98 4.628 -4.245 -9.406 1.00 0.00 H new ATOM 0 HD1 PHE A 98 4.561 -0.496 -8.858 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.429 -3.753 -11.662 1.00 0.00 H new ATOM 0 HE1 PHE A 98 4.645 1.110 -10.738 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.537 -2.138 -13.542 1.00 0.00 H new ATOM 0 HZ PHE A 98 4.692 0.304 -13.086 1.00 0.00 H new ATOM 1551 N LYS A 99 1.624 -2.612 -9.653 1.00 0.00 N ATOM 1552 CA LYS A 99 0.587 -1.777 -10.251 1.00 0.00 C ATOM 1553 C LYS A 99 -0.572 -1.590 -9.271 1.00 0.00 C ATOM 1554 O LYS A 99 -0.953 -0.442 -9.052 1.00 0.00 O ATOM 1555 CB LYS A 99 0.095 -2.403 -11.554 1.00 0.00 C ATOM 1556 CG LYS A 99 0.957 -2.077 -12.781 1.00 0.00 C ATOM 1557 CD LYS A 99 0.921 -0.620 -13.282 1.00 0.00 C ATOM 1558 CE LYS A 99 1.847 -0.519 -14.508 1.00 0.00 C ATOM 1559 NZ LYS A 99 1.821 0.801 -15.178 1.00 0.00 N ATOM 0 H LYS A 99 1.861 -3.434 -10.208 1.00 0.00 H new ATOM 0 HA LYS A 99 1.008 -0.797 -10.476 1.00 0.00 H new ATOM 0 HB2 LYS A 99 0.056 -3.485 -11.430 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -0.925 -2.066 -11.742 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.991 -2.332 -12.548 1.00 0.00 H new ATOM 0 HG3 LYS A 99 0.645 -2.726 -13.599 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.096 -0.333 -13.547 1.00 0.00 H new ATOM 0 HD3 LYS A 99 1.250 0.062 -12.498 1.00 0.00 H new ATOM 0 HE2 LYS A 99 2.869 -0.737 -14.197 1.00 0.00 H new ATOM 0 HE3 LYS A 99 1.563 -1.286 -15.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 2.468 0.790 -15.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 0.855 1.005 -15.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.121 1.537 -14.507 1.00 0.00 H new ATOM 1573 N PRO A 100 -1.174 -2.646 -8.685 1.00 0.00 N ATOM 1574 CA PRO A 100 -2.276 -2.448 -7.756 1.00 0.00 C ATOM 1575 C PRO A 100 -1.819 -1.733 -6.479 1.00 0.00 C ATOM 1576 O PRO A 100 -2.589 -0.966 -5.906 1.00 0.00 O ATOM 1577 CB PRO A 100 -2.880 -3.830 -7.517 1.00 0.00 C ATOM 1578 CG PRO A 100 -1.748 -4.796 -7.817 1.00 0.00 C ATOM 1579 CD PRO A 100 -0.933 -4.074 -8.889 1.00 0.00 C ATOM 0 HA PRO A 100 -3.039 -1.784 -8.162 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -3.232 -3.937 -6.491 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -3.736 -4.007 -8.168 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -1.150 -5.001 -6.929 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.123 -5.754 -8.176 1.00 0.00 H new ATOM 0 HD2 PRO A 100 0.128 -4.308 -8.796 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -1.241 -4.383 -9.888 1.00 0.00 H new ATOM 1587 N ASN A 101 -0.573 -1.899 -6.032 1.00 0.00 N ATOM 1588 CA ASN A 101 -0.071 -1.251 -4.835 1.00 0.00 C ATOM 1589 C ASN A 101 0.131 0.236 -5.065 1.00 0.00 C ATOM 1590 O ASN A 101 -0.106 1.038 -4.174 1.00 0.00 O ATOM 1591 CB ASN A 101 1.207 -1.946 -4.411 1.00 0.00 C ATOM 1592 CG ASN A 101 0.882 -3.217 -3.640 1.00 0.00 C ATOM 1593 OD1 ASN A 101 -0.276 -3.630 -3.512 1.00 0.00 O ATOM 1594 ND2 ASN A 101 1.882 -3.847 -3.078 1.00 0.00 N ATOM 0 H ASN A 101 0.114 -2.491 -6.498 1.00 0.00 H new ATOM 0 HA ASN A 101 -0.800 -1.337 -4.029 1.00 0.00 H new ATOM 0 HB2 ASN A 101 1.807 -2.187 -5.289 1.00 0.00 H new ATOM 0 HB3 ASN A 101 1.804 -1.278 -3.790 1.00 0.00 H new ATOM 0 HD21 ASN A 101 1.710 -4.688 -2.527 1.00 0.00 H new ATOM 0 HD22 ASN A 101 2.833 -3.497 -3.191 1.00 0.00 H new ATOM 1601 N THR A 102 0.472 0.643 -6.279 1.00 0.00 N ATOM 1602 CA THR A 102 0.535 2.045 -6.655 1.00 0.00 C ATOM 1603 C THR A 102 -0.831 2.743 -6.557 1.00 0.00 C ATOM 1604 O THR A 102 -0.852 3.953 -6.353 1.00 0.00 O ATOM 1605 CB THR A 102 1.309 2.148 -7.967 1.00 0.00 C ATOM 1606 OG1 THR A 102 2.466 2.961 -7.869 1.00 0.00 O ATOM 1607 CG2 THR A 102 0.477 2.633 -9.131 1.00 0.00 C ATOM 0 H THR A 102 0.714 0.003 -7.036 1.00 0.00 H new ATOM 0 HA THR A 102 1.103 2.637 -5.938 1.00 0.00 H new ATOM 0 HB THR A 102 1.609 1.119 -8.164 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.921 2.988 -8.737 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.097 2.680 -10.027 1.00 0.00 H new ATOM 0 HG22 THR A 102 -0.351 1.944 -9.298 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.085 3.625 -8.909 1.00 0.00 H new ATOM 1615 N TRP A 103 -1.969 2.036 -6.578 1.00 0.00 N ATOM 1616 CA TRP A 103 -3.250 2.664 -6.244 1.00 0.00 C ATOM 1617 C TRP A 103 -3.397 2.896 -4.733 1.00 0.00 C ATOM 1618 O TRP A 103 -4.135 3.793 -4.327 1.00 0.00 O ATOM 1619 CB TRP A 103 -4.421 1.844 -6.780 1.00 0.00 C ATOM 1620 CG TRP A 103 -4.563 1.800 -8.273 1.00 0.00 C ATOM 1621 CD1 TRP A 103 -3.930 0.942 -9.098 1.00 0.00 C ATOM 1622 CD2 TRP A 103 -5.447 2.582 -9.128 1.00 0.00 C ATOM 1623 NE1 TRP A 103 -4.407 1.080 -10.387 1.00 0.00 N ATOM 1624 CE2 TRP A 103 -5.377 2.061 -10.454 1.00 0.00 C ATOM 1625 CE3 TRP A 103 -6.353 3.635 -8.898 1.00 0.00 C ATOM 1626 CZ2 TRP A 103 -6.222 2.520 -11.477 1.00 0.00 C ATOM 1627 CZ3 TRP A 103 -7.184 4.123 -9.923 1.00 0.00 C ATOM 1628 CH2 TRP A 103 -7.138 3.552 -11.207 1.00 0.00 C ATOM 0 H TRP A 103 -2.028 1.046 -6.818 1.00 0.00 H new ATOM 0 HA TRP A 103 -3.264 3.640 -6.729 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -4.321 0.822 -6.414 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -5.343 2.245 -6.359 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -3.161 0.247 -8.795 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -4.085 0.530 -11.184 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -6.411 4.077 -7.914 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -6.169 2.084 -12.464 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -7.861 4.940 -9.723 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -7.803 3.904 -11.982 1.00 0.00 H new ATOM 1639 N CYS A 104 -2.677 2.170 -3.874 1.00 0.00 N ATOM 1640 CA CYS A 104 -2.490 2.618 -2.500 1.00 0.00 C ATOM 1641 C CYS A 104 -1.628 3.874 -2.501 1.00 0.00 C ATOM 1642 O CYS A 104 -1.995 4.837 -1.837 1.00 0.00 O ATOM 1643 CB CYS A 104 -1.883 1.517 -1.628 1.00 0.00 C ATOM 1644 SG CYS A 104 -1.738 2.073 0.092 1.00 0.00 S ATOM 0 H CYS A 104 -2.223 1.286 -4.103 1.00 0.00 H new ATOM 0 HA CYS A 104 -3.461 2.854 -2.065 1.00 0.00 H new ATOM 0 HB2 CYS A 104 -2.505 0.623 -1.676 1.00 0.00 H new ATOM 0 HB3 CYS A 104 -0.900 1.242 -2.011 1.00 0.00 H new ATOM 0 HG CYS A 104 -2.336 1.224 0.874 1.00 0.00 H new ATOM 1650 N LEU A 105 -0.529 3.926 -3.271 1.00 0.00 N ATOM 1651 CA LEU A 105 0.392 5.054 -3.170 1.00 0.00 C ATOM 1652 C LEU A 105 -0.355 6.327 -3.574 1.00 0.00 C ATOM 1653 O LEU A 105 -0.238 7.347 -2.906 1.00 0.00 O ATOM 1654 CB LEU A 105 1.654 4.775 -4.021 1.00 0.00 C ATOM 1655 CG LEU A 105 2.502 3.587 -3.505 1.00 0.00 C ATOM 1656 CD1 LEU A 105 3.590 3.237 -4.526 1.00 0.00 C ATOM 1657 CD2 LEU A 105 3.136 3.861 -2.140 1.00 0.00 C ATOM 0 H LEU A 105 -0.266 3.215 -3.953 1.00 0.00 H new ATOM 0 HA LEU A 105 0.743 5.194 -2.148 1.00 0.00 H new ATOM 0 HB2 LEU A 105 1.351 4.575 -5.049 1.00 0.00 H new ATOM 0 HB3 LEU A 105 2.274 5.671 -4.040 1.00 0.00 H new ATOM 0 HG LEU A 105 1.824 2.743 -3.379 1.00 0.00 H new ATOM 0 HD11 LEU A 105 4.182 2.400 -4.155 1.00 0.00 H new ATOM 0 HD12 LEU A 105 3.125 2.961 -5.473 1.00 0.00 H new ATOM 0 HD13 LEU A 105 4.238 4.100 -4.678 1.00 0.00 H new ATOM 0 HD21 LEU A 105 3.718 2.994 -1.829 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.789 4.731 -2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.353 4.054 -1.407 1.00 0.00 H new ATOM 1669 N ARG A 106 -1.223 6.240 -4.586 1.00 0.00 N ATOM 1670 CA ARG A 106 -2.074 7.339 -5.042 1.00 0.00 C ATOM 1671 C ARG A 106 -3.125 7.798 -4.036 1.00 0.00 C ATOM 1672 O ARG A 106 -3.650 8.896 -4.207 1.00 0.00 O ATOM 1673 CB ARG A 106 -2.752 6.927 -6.355 1.00 0.00 C ATOM 1674 CG ARG A 106 -1.697 6.950 -7.457 1.00 0.00 C ATOM 1675 CD ARG A 106 -2.218 6.563 -8.838 1.00 0.00 C ATOM 1676 NE ARG A 106 -1.437 7.224 -9.897 1.00 0.00 N ATOM 1677 CZ ARG A 106 -1.829 8.252 -10.663 1.00 0.00 C ATOM 1678 NH1 ARG A 106 -3.056 8.767 -10.563 1.00 0.00 N ATOM 1679 NH2 ARG A 106 -0.979 8.765 -11.544 1.00 0.00 N ATOM 0 H ARG A 106 -1.355 5.383 -5.122 1.00 0.00 H new ATOM 0 HA ARG A 106 -1.418 8.198 -5.180 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -3.186 5.931 -6.264 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -3.567 7.610 -6.594 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -1.268 7.951 -7.511 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -0.889 6.271 -7.184 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.164 5.481 -8.962 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -3.268 6.842 -8.927 1.00 0.00 H new ATOM 0 HE ARG A 106 -0.499 6.861 -10.066 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -3.719 8.378 -9.893 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -3.331 9.549 -11.157 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -0.040 8.377 -11.632 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -1.265 9.547 -12.133 1.00 0.00 H new ATOM 1693 N CYS A 107 -3.457 6.992 -3.029 1.00 0.00 N ATOM 1694 CA CYS A 107 -4.345 7.391 -1.945 1.00 0.00 C ATOM 1695 C CYS A 107 -3.559 8.108 -0.822 1.00 0.00 C ATOM 1696 O CYS A 107 -4.159 8.713 0.064 1.00 0.00 O ATOM 1697 CB CYS A 107 -4.985 6.116 -1.371 1.00 0.00 C ATOM 1698 SG CYS A 107 -6.418 6.539 -0.342 1.00 0.00 S ATOM 0 H CYS A 107 -3.113 6.036 -2.944 1.00 0.00 H new ATOM 0 HA CYS A 107 -5.099 8.079 -2.327 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -5.294 5.458 -2.184 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -4.252 5.568 -0.778 1.00 0.00 H new ATOM 0 HG CYS A 107 -6.172 7.633 0.316 1.00 0.00 H new ATOM 1704 N LEU A 108 -2.225 7.970 -0.796 1.00 0.00 N ATOM 1705 CA LEU A 108 -1.349 8.493 0.256 1.00 0.00 C ATOM 1706 C LEU A 108 -0.739 9.840 -0.135 1.00 0.00 C ATOM 1707 O LEU A 108 -0.319 10.595 0.743 1.00 0.00 O ATOM 1708 CB LEU A 108 -0.236 7.469 0.557 1.00 0.00 C ATOM 1709 CG LEU A 108 -0.748 6.130 1.123 1.00 0.00 C ATOM 1710 CD1 LEU A 108 0.412 5.143 1.254 1.00 0.00 C ATOM 1711 CD2 LEU A 108 -1.439 6.275 2.486 1.00 0.00 C ATOM 0 H LEU A 108 -1.714 7.477 -1.528 1.00 0.00 H new ATOM 0 HA LEU A 108 -1.950 8.654 1.151 1.00 0.00 H new ATOM 0 HB2 LEU A 108 0.321 7.274 -0.359 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.464 7.908 1.268 1.00 0.00 H new ATOM 0 HG LEU A 108 -1.493 5.761 0.418 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.043 4.199 1.655 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.857 4.972 0.274 1.00 0.00 H new ATOM 0 HD13 LEU A 108 1.165 5.553 1.927 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -1.776 5.297 2.829 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -0.736 6.690 3.208 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.296 6.941 2.390 1.00 0.00 H new ATOM 1723 N TRP A 109 -0.720 10.136 -1.436 1.00 0.00 N ATOM 1724 CA TRP A 109 -0.356 11.399 -2.050 1.00 0.00 C ATOM 1725 C TRP A 109 -1.148 12.559 -1.431 1.00 0.00 C ATOM 1726 O TRP A 109 -2.370 12.455 -1.278 1.00 0.00 O ATOM 1727 CB TRP A 109 -0.636 11.250 -3.552 1.00 0.00 C ATOM 1728 CG TRP A 109 0.257 10.364 -4.367 1.00 0.00 C ATOM 1729 CD1 TRP A 109 1.300 9.634 -3.915 1.00 0.00 C ATOM 1730 CD2 TRP A 109 0.200 10.126 -5.805 1.00 0.00 C ATOM 1731 NE1 TRP A 109 1.871 8.940 -4.960 1.00 0.00 N ATOM 1732 CE2 TRP A 109 1.265 9.245 -6.161 1.00 0.00 C ATOM 1733 CE3 TRP A 109 -0.642 10.572 -6.846 1.00 0.00 C ATOM 1734 CZ2 TRP A 109 1.515 8.868 -7.489 1.00 0.00 C ATOM 1735 CZ3 TRP A 109 -0.392 10.217 -8.184 1.00 0.00 C ATOM 1736 CH2 TRP A 109 0.670 9.352 -8.501 1.00 0.00 C ATOM 0 H TRP A 109 -0.980 9.440 -2.135 1.00 0.00 H new ATOM 0 HA TRP A 109 0.695 11.634 -1.882 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -1.656 10.883 -3.663 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -0.606 12.246 -3.994 1.00 0.00 H new ATOM 0 HD1 TRP A 109 1.636 9.599 -2.889 1.00 0.00 H new ATOM 0 HE1 TRP A 109 2.645 8.283 -4.858 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -1.492 11.196 -6.612 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 2.343 8.217 -7.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -1.018 10.611 -8.971 1.00 0.00 H new ATOM 0 HH2 TRP A 109 0.837 9.059 -9.527 1.00 0.00 H new ATOM 1747 N SER A 110 -0.451 13.643 -1.072 1.00 0.00 N ATOM 1748 CA SER A 110 -1.046 14.863 -0.529 1.00 0.00 C ATOM 1749 C SER A 110 -1.618 15.707 -1.674 1.00 0.00 C ATOM 1750 O SER A 110 -1.166 15.568 -2.814 1.00 0.00 O ATOM 1751 CB SER A 110 0.082 15.627 0.165 1.00 0.00 C ATOM 1752 OG SER A 110 -0.360 16.631 1.054 1.00 0.00 O ATOM 0 H SER A 110 0.564 13.695 -1.154 1.00 0.00 H new ATOM 0 HA SER A 110 -1.854 14.637 0.167 1.00 0.00 H new ATOM 0 HB2 SER A 110 0.701 14.918 0.714 1.00 0.00 H new ATOM 0 HB3 SER A 110 0.717 16.084 -0.594 1.00 0.00 H new ATOM 0 HG SER A 110 -0.712 17.389 0.542 1.00 0.00 H new ATOM 1758 N THR A 111 -2.558 16.617 -1.395 1.00 0.00 N ATOM 1759 CA THR A 111 -2.914 17.693 -2.325 1.00 0.00 C ATOM 1760 C THR A 111 -2.117 18.948 -1.930 1.00 0.00 C ATOM 1761 O THR A 111 -1.440 18.930 -0.899 1.00 0.00 O ATOM 1762 CB THR A 111 -4.444 17.894 -2.412 1.00 0.00 C ATOM 1763 OG1 THR A 111 -4.987 18.581 -1.308 1.00 0.00 O ATOM 1764 CG2 THR A 111 -5.230 16.589 -2.568 1.00 0.00 C ATOM 0 H THR A 111 -3.090 16.628 -0.525 1.00 0.00 H new ATOM 0 HA THR A 111 -2.634 17.434 -3.346 1.00 0.00 H new ATOM 0 HB THR A 111 -4.555 18.498 -3.313 1.00 0.00 H new ATOM 0 HG1 THR A 111 -5.955 18.676 -1.426 1.00 0.00 H new ATOM 0 HG21 THR A 111 -6.296 16.810 -2.622 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.918 16.083 -3.482 1.00 0.00 H new ATOM 0 HG23 THR A 111 -5.037 15.943 -1.711 1.00 0.00 H new ATOM 1772 N LYS A 112 -2.222 20.034 -2.710 1.00 0.00 N ATOM 1773 CA LYS A 112 -1.359 21.199 -2.712 1.00 0.00 C ATOM 1774 C LYS A 112 0.101 20.844 -3.031 1.00 0.00 C ATOM 1775 O LYS A 112 0.683 19.958 -2.420 1.00 0.00 O ATOM 1776 CB LYS A 112 -1.518 21.977 -1.411 1.00 0.00 C ATOM 1777 CG LYS A 112 -0.579 23.184 -1.331 1.00 0.00 C ATOM 1778 CD LYS A 112 -1.200 24.288 -0.495 1.00 0.00 C ATOM 1779 CE LYS A 112 -1.451 23.891 0.960 1.00 0.00 C ATOM 1780 NZ LYS A 112 -2.181 24.960 1.670 1.00 0.00 N ATOM 0 H LYS A 112 -2.968 20.116 -3.400 1.00 0.00 H new ATOM 0 HA LYS A 112 -1.673 21.856 -3.523 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -2.550 22.317 -1.318 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.324 21.313 -0.568 1.00 0.00 H new ATOM 0 HG2 LYS A 112 0.374 22.882 -0.895 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -0.368 23.555 -2.334 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -0.546 25.160 -0.517 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -2.145 24.587 -0.949 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -2.025 22.965 0.996 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -0.502 23.698 1.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -2.343 24.674 2.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -1.620 25.835 1.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -3.095 25.125 1.203 1.00 0.00 H new ATOM 1794 N PRO A 113 0.730 21.555 -3.976 1.00 0.00 N ATOM 1795 CA PRO A 113 2.159 21.439 -4.208 1.00 0.00 C ATOM 1796 C PRO A 113 2.919 21.938 -2.984 1.00 0.00 C ATOM 1797 O PRO A 113 2.939 23.140 -2.706 1.00 0.00 O ATOM 1798 CB PRO A 113 2.439 22.275 -5.448 1.00 0.00 C ATOM 1799 CG PRO A 113 1.299 23.291 -5.483 1.00 0.00 C ATOM 1800 CD PRO A 113 0.135 22.528 -4.878 1.00 0.00 C ATOM 0 HA PRO A 113 2.483 20.410 -4.367 1.00 0.00 H new ATOM 0 HB2 PRO A 113 3.409 22.768 -5.385 1.00 0.00 H new ATOM 0 HB3 PRO A 113 2.452 21.660 -6.348 1.00 0.00 H new ATOM 0 HG2 PRO A 113 1.538 24.184 -4.906 1.00 0.00 H new ATOM 0 HG3 PRO A 113 1.081 23.617 -6.500 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -0.537 23.199 -4.343 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -0.455 22.036 -5.651 1.00 0.00 H new ATOM 1808 N VAL A 114 3.490 21.009 -2.224 1.00 0.00 N ATOM 1809 CA VAL A 114 4.220 21.305 -0.999 1.00 0.00 C ATOM 1810 C VAL A 114 5.250 20.194 -0.711 1.00 0.00 C ATOM 1811 O VAL A 114 5.567 19.896 0.444 1.00 0.00 O ATOM 1812 CB VAL A 114 3.189 21.639 0.110 1.00 0.00 C ATOM 1813 CG1 VAL A 114 2.343 20.463 0.607 1.00 0.00 C ATOM 1814 CG2 VAL A 114 3.828 22.377 1.282 1.00 0.00 C ATOM 0 H VAL A 114 3.457 20.014 -2.447 1.00 0.00 H new ATOM 0 HA VAL A 114 4.846 22.194 -1.075 1.00 0.00 H new ATOM 0 HB VAL A 114 2.484 22.302 -0.391 1.00 0.00 H new ATOM 0 HG11 VAL A 114 1.657 20.809 1.380 1.00 0.00 H new ATOM 0 HG12 VAL A 114 1.773 20.048 -0.224 1.00 0.00 H new ATOM 0 HG13 VAL A 114 2.996 19.694 1.019 1.00 0.00 H new ATOM 0 HG21 VAL A 114 3.069 22.591 2.035 1.00 0.00 H new ATOM 0 HG22 VAL A 114 4.609 21.756 1.720 1.00 0.00 H new ATOM 0 HG23 VAL A 114 4.263 23.312 0.930 1.00 0.00 H new ATOM 1824 N ASP A 115 5.781 19.576 -1.775 1.00 0.00 N ATOM 1825 CA ASP A 115 6.916 18.650 -1.726 1.00 0.00 C ATOM 1826 C ASP A 115 8.092 19.355 -1.064 1.00 0.00 C ATOM 1827 O ASP A 115 8.579 18.952 -0.007 1.00 0.00 O ATOM 1828 CB ASP A 115 7.313 18.203 -3.142 1.00 0.00 C ATOM 1829 CG ASP A 115 8.658 17.476 -3.101 1.00 0.00 C ATOM 1830 OD1 ASP A 115 8.649 16.276 -2.753 1.00 0.00 O ATOM 1831 OD2 ASP A 115 9.693 18.128 -3.395 1.00 0.00 O ATOM 0 H ASP A 115 5.421 19.712 -2.720 1.00 0.00 H new ATOM 0 HA ASP A 115 6.634 17.766 -1.154 1.00 0.00 H new ATOM 0 HB2 ASP A 115 6.547 17.546 -3.553 1.00 0.00 H new ATOM 0 HB3 ASP A 115 7.378 19.069 -3.801 1.00 0.00 H new ATOM 1836 N THR A 116 8.491 20.461 -1.673 1.00 0.00 N ATOM 1837 CA THR A 116 9.396 21.454 -1.157 1.00 0.00 C ATOM 1838 C THR A 116 8.669 22.724 -1.541 1.00 0.00 C ATOM 1839 O THR A 116 7.963 23.261 -0.666 1.00 0.00 O ATOM 1840 CB THR A 116 10.801 21.264 -1.756 1.00 0.00 C ATOM 1841 OG1 THR A 116 11.186 19.902 -1.646 1.00 0.00 O ATOM 1842 CG2 THR A 116 11.848 22.124 -1.040 1.00 0.00 C ATOM 0 H THR A 116 8.161 20.697 -2.609 1.00 0.00 H new ATOM 0 HA THR A 116 9.606 21.426 -0.088 1.00 0.00 H new ATOM 0 HB THR A 116 10.755 21.571 -2.801 1.00 0.00 H new ATOM 0 HG1 THR A 116 10.680 19.366 -2.292 1.00 0.00 H new ATOM 0 HG21 THR A 116 12.825 21.960 -1.494 1.00 0.00 H new ATOM 0 HG22 THR A 116 11.578 23.176 -1.130 1.00 0.00 H new ATOM 0 HG23 THR A 116 11.886 21.848 0.014 1.00 0.00 H new TER 1850 THR A 116