USER MOD reduce.3.24.130724 H: found=0, std=0, add=672, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 576 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 4 ASN : amide:sc= -0.203 K(o=-0.31,f=-2.1!) USER MOD Set 1.2: A 89 ASN : amide:sc= -0.106 X(o=-0.31,f=-0.12) USER MOD Set 2.1: A 68 HIS : no HE2:sc= -4.51! C(o=-3.8!,f=-3.1!) USER MOD Set 2.2: A 69 THR OG1 : rot -4:sc= 0.668 USER MOD Set 3.1: A 65 ASN : amide:sc= 0.96 K(o=2.2,f=-3.3!) USER MOD Set 3.2: A 71 THR OG1 : rot -96:sc= 1.22 USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=0.022) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 130:sc= 0.43 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0.592 K(o=0.59,f=-7.7!) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 31 HIS : no HE2:sc= 1.13 K(o=1.1,f=-4.8!) USER MOD Single : A 33 THR OG1 : rot 100:sc=-0.00736 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -5.3! K(o=-5.3!,f=0.098) USER MOD Single : A 38 ASN : amide:sc= 0.765 K(o=0.76,f=-8.2!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= 1.16 K(o=1.2,f=-5.7!) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 THR OG1 : rot 38:sc= 0.092 USER MOD Single : A 73 SER OG : rot -143:sc= 0.542 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 GLN : amide:sc= -0.108 K(o=-0.11,f=-1.4!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HE2:sc= 0.774 K(o=0.77,f=-3.4!) USER MOD Single : A 84 SER OG : rot -90:sc= -1.85 USER MOD Single : A 85 SER OG : rot 180:sc= -0.108 USER MOD Single : A 86 MET CE :methyl -172:sc= -1.8 (180deg=-2.01) USER MOD Single : A 90 TYR OH : rot -71:sc= 0.719 USER MOD Single : A 94 ASN : amide:sc= -3.97! C(o=-4!,f=-6.5!) USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -130:sc= -0.352 (180deg=-1.06) USER MOD ----------------------------------------------------------------- ATOM 33 N CYS A 3 11.609 -4.236 -0.759 1.00 0.00 N ATOM 34 CA CYS A 3 10.446 -4.847 -0.138 1.00 0.00 C ATOM 35 C CYS A 3 9.702 -5.719 -1.149 1.00 0.00 C ATOM 36 O CYS A 3 9.686 -6.942 -1.016 1.00 0.00 O ATOM 37 CB CYS A 3 9.537 -3.760 0.431 1.00 0.00 C ATOM 38 SG CYS A 3 10.390 -2.605 1.556 1.00 0.00 S ATOM 0 HA CYS A 3 10.768 -5.490 0.681 1.00 0.00 H new ATOM 0 HB2 CYS A 3 9.101 -3.195 -0.393 1.00 0.00 H new ATOM 0 HB3 CYS A 3 8.712 -4.231 0.966 1.00 0.00 H new ATOM 42 N ASN A 4 9.097 -5.078 -2.156 1.00 0.00 N ATOM 43 CA ASN A 4 8.376 -5.777 -3.227 1.00 0.00 C ATOM 44 C ASN A 4 7.441 -6.868 -2.703 1.00 0.00 C ATOM 45 O ASN A 4 7.737 -8.051 -2.851 1.00 0.00 O ATOM 46 CB ASN A 4 9.371 -6.410 -4.218 1.00 0.00 C ATOM 47 CG ASN A 4 10.191 -5.389 -4.987 1.00 0.00 C ATOM 48 OD1 ASN A 4 10.552 -4.332 -4.471 1.00 0.00 O ATOM 49 ND2 ASN A 4 10.479 -5.698 -6.240 1.00 0.00 N ATOM 0 H ASN A 4 9.093 -4.062 -2.252 1.00 0.00 H new ATOM 0 HA ASN A 4 7.765 -5.024 -3.725 1.00 0.00 H new ATOM 0 HB2 ASN A 4 10.046 -7.070 -3.672 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.822 -7.031 -4.926 1.00 0.00 H new ATOM 0 HD21 ASN A 4 11.018 -5.050 -6.814 1.00 0.00 H new ATOM 0 HD22 ASN A 4 10.162 -6.584 -6.632 1.00 0.00 H new ATOM 55 N PHE A 5 6.314 -6.491 -2.099 1.00 0.00 N ATOM 56 CA PHE A 5 5.376 -7.491 -1.594 1.00 0.00 C ATOM 57 C PHE A 5 4.890 -8.397 -2.732 1.00 0.00 C ATOM 58 O PHE A 5 4.850 -9.618 -2.598 1.00 0.00 O ATOM 59 CB PHE A 5 4.182 -6.821 -0.893 1.00 0.00 C ATOM 60 CG PHE A 5 3.202 -6.147 -1.820 1.00 0.00 C ATOM 61 CD1 PHE A 5 3.600 -5.112 -2.654 1.00 0.00 C ATOM 62 CD2 PHE A 5 1.881 -6.561 -1.856 1.00 0.00 C ATOM 63 CE1 PHE A 5 2.695 -4.502 -3.501 1.00 0.00 C ATOM 64 CE2 PHE A 5 0.974 -5.954 -2.699 1.00 0.00 C ATOM 65 CZ PHE A 5 1.380 -4.924 -3.522 1.00 0.00 C ATOM 0 H PHE A 5 6.033 -5.522 -1.950 1.00 0.00 H new ATOM 0 HA PHE A 5 5.899 -8.105 -0.861 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.651 -7.574 -0.311 1.00 0.00 H new ATOM 0 HB3 PHE A 5 4.561 -6.082 -0.188 1.00 0.00 H new ATOM 0 HD1 PHE A 5 4.628 -4.780 -2.641 1.00 0.00 H new ATOM 0 HD2 PHE A 5 1.557 -7.369 -1.216 1.00 0.00 H new ATOM 0 HE1 PHE A 5 3.015 -3.697 -4.146 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.054 -6.285 -2.715 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.670 -4.448 -4.182 1.00 0.00 H new ATOM 74 N ALA A 6 4.594 -7.780 -3.871 1.00 0.00 N ATOM 75 CA ALA A 6 4.091 -8.480 -5.051 1.00 0.00 C ATOM 76 C ALA A 6 5.041 -9.575 -5.536 1.00 0.00 C ATOM 77 O ALA A 6 4.627 -10.498 -6.234 1.00 0.00 O ATOM 78 CB ALA A 6 3.847 -7.478 -6.165 1.00 0.00 C ATOM 0 H ALA A 6 4.696 -6.774 -4.004 1.00 0.00 H new ATOM 0 HA ALA A 6 3.159 -8.970 -4.769 1.00 0.00 H new ATOM 0 HB1 ALA A 6 3.472 -7.998 -7.046 1.00 0.00 H new ATOM 0 HB2 ALA A 6 3.113 -6.742 -5.838 1.00 0.00 H new ATOM 0 HB3 ALA A 6 4.781 -6.974 -6.412 1.00 0.00 H new ATOM 84 N ASN A 7 6.307 -9.467 -5.157 1.00 0.00 N ATOM 85 CA ASN A 7 7.326 -10.429 -5.568 1.00 0.00 C ATOM 86 C ASN A 7 6.999 -11.837 -5.073 1.00 0.00 C ATOM 87 O ASN A 7 7.379 -12.827 -5.694 1.00 0.00 O ATOM 88 CB ASN A 7 8.686 -10.001 -5.018 1.00 0.00 C ATOM 89 CG ASN A 7 9.852 -10.469 -5.870 1.00 0.00 C ATOM 90 OD1 ASN A 7 9.778 -11.486 -6.560 1.00 0.00 O ATOM 91 ND2 ASN A 7 10.944 -9.721 -5.823 1.00 0.00 N ATOM 0 H ASN A 7 6.657 -8.717 -4.561 1.00 0.00 H new ATOM 0 HA ASN A 7 7.351 -10.448 -6.658 1.00 0.00 H new ATOM 0 HB2 ASN A 7 8.714 -8.914 -4.942 1.00 0.00 H new ATOM 0 HB3 ASN A 7 8.802 -10.394 -4.008 1.00 0.00 H new ATOM 0 HD21 ASN A 7 11.764 -9.981 -6.371 1.00 0.00 H new ATOM 0 HD22 ASN A 7 10.965 -8.885 -5.238 1.00 0.00 H new ATOM 97 N SER A 8 6.294 -11.926 -3.955 1.00 0.00 N ATOM 98 CA SER A 8 5.943 -13.220 -3.391 1.00 0.00 C ATOM 99 C SER A 8 4.514 -13.225 -2.857 1.00 0.00 C ATOM 100 O SER A 8 4.168 -14.023 -1.984 1.00 0.00 O ATOM 101 CB SER A 8 6.926 -13.570 -2.281 1.00 0.00 C ATOM 102 OG SER A 8 8.256 -13.628 -2.775 1.00 0.00 O ATOM 0 H SER A 8 5.956 -11.124 -3.424 1.00 0.00 H new ATOM 0 HA SER A 8 6.000 -13.970 -4.180 1.00 0.00 H new ATOM 0 HB2 SER A 8 6.862 -12.826 -1.487 1.00 0.00 H new ATOM 0 HB3 SER A 8 6.656 -14.530 -1.841 1.00 0.00 H new ATOM 0 HG SER A 8 8.867 -13.853 -2.043 1.00 0.00 H new ATOM 107 N CYS A 9 3.692 -12.336 -3.386 1.00 0.00 N ATOM 108 CA CYS A 9 2.301 -12.239 -2.968 1.00 0.00 C ATOM 109 C CYS A 9 1.372 -12.429 -4.158 1.00 0.00 C ATOM 110 O CYS A 9 1.570 -11.827 -5.214 1.00 0.00 O ATOM 111 CB CYS A 9 2.049 -10.885 -2.303 1.00 0.00 C ATOM 112 SG CYS A 9 2.860 -10.683 -0.681 1.00 0.00 S ATOM 0 H CYS A 9 3.963 -11.668 -4.108 1.00 0.00 H new ATOM 0 HA CYS A 9 2.096 -13.029 -2.246 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.395 -10.096 -2.970 1.00 0.00 H new ATOM 0 HB3 CYS A 9 0.975 -10.749 -2.179 1.00 0.00 H new ATOM 116 N THR A 10 0.358 -13.267 -3.979 1.00 0.00 N ATOM 117 CA THR A 10 -0.603 -13.558 -5.034 1.00 0.00 C ATOM 118 C THR A 10 -2.030 -13.495 -4.503 1.00 0.00 C ATOM 119 O THR A 10 -2.239 -13.568 -3.295 1.00 0.00 O ATOM 120 CB THR A 10 -0.342 -14.957 -5.629 1.00 0.00 C ATOM 121 OG1 THR A 10 -0.197 -15.917 -4.572 1.00 0.00 O ATOM 122 CG2 THR A 10 0.907 -14.952 -6.495 1.00 0.00 C ATOM 0 H THR A 10 0.180 -13.761 -3.104 1.00 0.00 H new ATOM 0 HA THR A 10 -0.481 -12.804 -5.812 1.00 0.00 H new ATOM 0 HB THR A 10 -1.193 -15.230 -6.253 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.033 -16.804 -4.956 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.071 -15.949 -6.903 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.781 -14.242 -7.312 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.767 -14.662 -5.892 1.00 0.00 H new ATOM 130 N GLY A 11 -3.001 -13.348 -5.402 1.00 0.00 N ATOM 131 CA GLY A 11 -4.395 -13.285 -4.996 1.00 0.00 C ATOM 132 C GLY A 11 -4.665 -12.144 -4.036 1.00 0.00 C ATOM 133 O GLY A 11 -5.237 -12.344 -2.964 1.00 0.00 O ATOM 0 H GLY A 11 -2.846 -13.271 -6.407 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.023 -13.170 -5.879 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -4.677 -14.227 -4.525 1.00 0.00 H new ATOM 137 N VAL A 12 -4.246 -10.949 -4.418 1.00 0.00 N ATOM 138 CA VAL A 12 -4.431 -9.776 -3.580 1.00 0.00 C ATOM 139 C VAL A 12 -5.663 -8.983 -4.004 1.00 0.00 C ATOM 140 O VAL A 12 -5.935 -8.828 -5.196 1.00 0.00 O ATOM 141 CB VAL A 12 -3.189 -8.856 -3.610 1.00 0.00 C ATOM 142 CG1 VAL A 12 -1.988 -9.557 -2.993 1.00 0.00 C ATOM 143 CG2 VAL A 12 -2.873 -8.420 -5.032 1.00 0.00 C ATOM 0 H VAL A 12 -3.775 -10.766 -5.304 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.574 -10.135 -2.561 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.413 -7.967 -3.020 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.124 -8.893 -3.024 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.210 -9.816 -1.958 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -1.768 -10.465 -3.555 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.995 -7.774 -5.028 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.674 -9.298 -5.646 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.723 -7.875 -5.443 1.00 0.00 H new ATOM 153 N GLU A 13 -6.412 -8.493 -3.030 1.00 0.00 N ATOM 154 CA GLU A 13 -7.609 -7.713 -3.308 1.00 0.00 C ATOM 155 C GLU A 13 -7.654 -6.493 -2.395 1.00 0.00 C ATOM 156 O GLU A 13 -7.117 -6.522 -1.285 1.00 0.00 O ATOM 157 CB GLU A 13 -8.863 -8.574 -3.143 1.00 0.00 C ATOM 158 CG GLU A 13 -10.132 -7.905 -3.648 1.00 0.00 C ATOM 159 CD GLU A 13 -9.961 -7.309 -5.030 1.00 0.00 C ATOM 160 OE1 GLU A 13 -9.854 -8.077 -6.010 1.00 0.00 O ATOM 161 OE2 GLU A 13 -9.917 -6.066 -5.143 1.00 0.00 O ATOM 0 H GLU A 13 -6.213 -8.621 -2.038 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.578 -7.369 -4.342 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.721 -9.514 -3.676 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.988 -8.821 -2.089 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.941 -8.635 -3.668 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -10.428 -7.121 -2.951 1.00 0.00 H new ATOM 166 N LEU A 14 -8.294 -5.429 -2.866 1.00 0.00 N ATOM 167 CA LEU A 14 -8.377 -4.188 -2.113 1.00 0.00 C ATOM 168 C LEU A 14 -9.819 -3.814 -1.804 1.00 0.00 C ATOM 169 O LEU A 14 -10.586 -3.448 -2.695 1.00 0.00 O ATOM 170 CB LEU A 14 -7.690 -3.076 -2.913 1.00 0.00 C ATOM 171 CG LEU A 14 -7.741 -1.670 -2.312 1.00 0.00 C ATOM 172 CD1 LEU A 14 -7.398 -1.685 -0.833 1.00 0.00 C ATOM 173 CD2 LEU A 14 -6.780 -0.777 -3.058 1.00 0.00 C ATOM 0 H LEU A 14 -8.764 -5.404 -3.771 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.871 -4.323 -1.157 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.644 -3.351 -3.050 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.142 -3.040 -3.904 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.757 -1.288 -2.411 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.444 -0.670 -0.439 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.111 -2.314 -0.300 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.392 -2.082 -0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.812 0.227 -2.634 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.769 -1.176 -2.970 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.063 -0.736 -4.110 1.00 0.00 H new ATOM 184 N TYR A 15 -10.188 -3.911 -0.536 1.00 0.00 N ATOM 185 CA TYR A 15 -11.535 -3.565 -0.109 1.00 0.00 C ATOM 186 C TYR A 15 -11.510 -2.233 0.634 1.00 0.00 C ATOM 187 O TYR A 15 -11.176 -2.189 1.821 1.00 0.00 O ATOM 188 CB TYR A 15 -12.116 -4.639 0.821 1.00 0.00 C ATOM 189 CG TYR A 15 -12.004 -6.058 0.310 1.00 0.00 C ATOM 190 CD1 TYR A 15 -13.002 -6.619 -0.479 1.00 0.00 C ATOM 191 CD2 TYR A 15 -10.906 -6.843 0.633 1.00 0.00 C ATOM 192 CE1 TYR A 15 -12.904 -7.923 -0.931 1.00 0.00 C ATOM 193 CE2 TYR A 15 -10.802 -8.145 0.188 1.00 0.00 C ATOM 194 CZ TYR A 15 -11.801 -8.682 -0.594 1.00 0.00 C ATOM 195 OH TYR A 15 -11.698 -9.984 -1.035 1.00 0.00 O ATOM 0 H TYR A 15 -9.574 -4.226 0.215 1.00 0.00 H new ATOM 0 HA TYR A 15 -12.162 -3.493 -0.998 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -11.611 -4.575 1.785 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -13.168 -4.415 0.997 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -13.867 -6.028 -0.743 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -10.118 -6.427 1.244 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -13.686 -8.345 -1.544 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -9.941 -8.741 0.452 1.00 0.00 H new ATOM 0 HH TYR A 15 -10.819 -10.121 -1.446 1.00 0.00 H new ATOM 204 N GLY A 16 -11.850 -1.154 -0.062 1.00 0.00 N ATOM 205 CA GLY A 16 -11.868 0.166 0.553 1.00 0.00 C ATOM 206 C GLY A 16 -10.477 0.706 0.852 1.00 0.00 C ATOM 207 O GLY A 16 -10.058 1.708 0.285 1.00 0.00 O ATOM 0 H GLY A 16 -12.115 -1.168 -1.047 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -12.386 0.861 -0.108 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.440 0.120 1.480 1.00 0.00 H new ATOM 211 N TYR A 17 -9.769 0.044 1.756 1.00 0.00 N ATOM 212 CA TYR A 17 -8.427 0.460 2.145 1.00 0.00 C ATOM 213 C TYR A 17 -7.617 -0.707 2.714 1.00 0.00 C ATOM 214 O TYR A 17 -6.544 -0.506 3.285 1.00 0.00 O ATOM 215 CB TYR A 17 -8.494 1.605 3.166 1.00 0.00 C ATOM 216 CG TYR A 17 -9.621 1.474 4.175 1.00 0.00 C ATOM 217 CD1 TYR A 17 -9.487 0.681 5.307 1.00 0.00 C ATOM 218 CD2 TYR A 17 -10.822 2.148 3.988 1.00 0.00 C ATOM 219 CE1 TYR A 17 -10.516 0.563 6.224 1.00 0.00 C ATOM 220 CE2 TYR A 17 -11.854 2.034 4.899 1.00 0.00 C ATOM 221 CZ TYR A 17 -11.696 1.241 6.015 1.00 0.00 C ATOM 222 OH TYR A 17 -12.725 1.128 6.923 1.00 0.00 O ATOM 0 H TYR A 17 -10.104 -0.790 2.238 1.00 0.00 H new ATOM 0 HA TYR A 17 -7.920 0.813 1.247 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -7.546 1.655 3.702 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -8.608 2.548 2.631 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -8.563 0.147 5.474 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -10.951 2.771 3.116 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -10.394 -0.058 7.099 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -12.781 2.564 4.737 1.00 0.00 H new ATOM 0 HH TYR A 17 -13.485 1.671 6.626 1.00 0.00 H new ATOM 231 N ILE A 18 -8.115 -1.927 2.546 1.00 0.00 N ATOM 232 CA ILE A 18 -7.421 -3.101 3.055 1.00 0.00 C ATOM 233 C ILE A 18 -6.950 -3.990 1.914 1.00 0.00 C ATOM 234 O ILE A 18 -7.699 -4.270 0.978 1.00 0.00 O ATOM 235 CB ILE A 18 -8.294 -3.941 4.014 1.00 0.00 C ATOM 236 CG1 ILE A 18 -9.573 -4.414 3.320 1.00 0.00 C ATOM 237 CG2 ILE A 18 -8.627 -3.147 5.269 1.00 0.00 C ATOM 238 CD1 ILE A 18 -10.365 -5.425 4.121 1.00 0.00 C ATOM 0 H ILE A 18 -8.991 -2.127 2.064 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.565 -2.725 3.615 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.723 -4.823 4.305 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -10.205 -3.550 3.116 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -9.312 -4.852 2.357 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -9.242 -3.755 5.932 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.705 -2.872 5.781 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -9.173 -2.244 4.994 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -11.257 -5.712 3.564 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -9.751 -6.307 4.303 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.658 -4.985 5.074 1.00 0.00 H new ATOM 249 N LEU A 19 -5.706 -4.418 2.000 1.00 0.00 N ATOM 250 CA LEU A 19 -5.115 -5.276 0.994 1.00 0.00 C ATOM 251 C LEU A 19 -4.860 -6.642 1.595 1.00 0.00 C ATOM 252 O LEU A 19 -4.042 -6.780 2.497 1.00 0.00 O ATOM 253 CB LEU A 19 -3.789 -4.680 0.511 1.00 0.00 C ATOM 254 CG LEU A 19 -3.550 -4.716 -0.998 1.00 0.00 C ATOM 255 CD1 LEU A 19 -3.592 -6.140 -1.525 1.00 0.00 C ATOM 256 CD2 LEU A 19 -4.570 -3.847 -1.707 1.00 0.00 C ATOM 0 H LEU A 19 -5.078 -4.181 2.768 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.797 -5.362 0.148 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.737 -3.643 0.843 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.974 -5.213 1.001 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.554 -4.320 -1.199 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.419 -6.135 -2.601 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.818 -6.732 -1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.569 -6.576 -1.317 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.391 -3.879 -2.782 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.573 -4.217 -1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.480 -2.819 -1.355 1.00 0.00 H new ATOM 267 N ARG A 20 -5.557 -7.643 1.113 1.00 0.00 N ATOM 268 CA ARG A 20 -5.369 -8.988 1.615 1.00 0.00 C ATOM 269 C ARG A 20 -4.935 -9.890 0.480 1.00 0.00 C ATOM 270 O ARG A 20 -5.454 -9.791 -0.633 1.00 0.00 O ATOM 271 CB ARG A 20 -6.646 -9.535 2.250 1.00 0.00 C ATOM 272 CG ARG A 20 -6.458 -10.917 2.861 1.00 0.00 C ATOM 273 CD ARG A 20 -7.584 -11.860 2.469 1.00 0.00 C ATOM 274 NE ARG A 20 -8.859 -11.479 3.076 1.00 0.00 N ATOM 275 CZ ARG A 20 -9.948 -11.144 2.383 1.00 0.00 C ATOM 276 NH1 ARG A 20 -9.916 -11.094 1.055 1.00 0.00 N ATOM 277 NH2 ARG A 20 -11.071 -10.850 3.027 1.00 0.00 N ATOM 0 H ARG A 20 -6.257 -7.555 0.377 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.600 -8.959 2.387 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.986 -8.845 3.022 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.431 -9.581 1.495 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -5.504 -11.333 2.535 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.415 -10.833 3.947 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -7.688 -11.868 1.384 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -7.328 -12.875 2.772 1.00 0.00 H new ATOM 0 HE ARG A 20 -8.919 -11.469 4.094 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -9.053 -11.313 0.557 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.754 -10.837 0.534 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.098 -10.881 4.046 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.907 -10.593 2.503 1.00 0.00 H new ATOM 288 N GLY A 21 -3.984 -10.759 0.756 1.00 0.00 N ATOM 289 CA GLY A 21 -3.507 -11.654 -0.266 1.00 0.00 C ATOM 290 C GLY A 21 -2.828 -12.875 0.297 1.00 0.00 C ATOM 291 O GLY A 21 -2.776 -13.069 1.514 1.00 0.00 O ATOM 0 H GLY A 21 -3.535 -10.861 1.666 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -4.345 -11.965 -0.890 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.809 -11.121 -0.912 1.00 0.00 H new ATOM 295 N ASP A 22 -2.327 -13.700 -0.597 1.00 0.00 N ATOM 296 CA ASP A 22 -1.630 -14.916 -0.234 1.00 0.00 C ATOM 297 C ASP A 22 -0.150 -14.745 -0.521 1.00 0.00 C ATOM 298 O ASP A 22 0.278 -14.799 -1.677 1.00 0.00 O ATOM 299 CB ASP A 22 -2.179 -16.100 -1.029 1.00 0.00 C ATOM 300 CG ASP A 22 -3.540 -16.562 -0.540 1.00 0.00 C ATOM 301 OD1 ASP A 22 -4.547 -15.887 -0.844 1.00 0.00 O ATOM 302 OD2 ASP A 22 -3.614 -17.608 0.137 1.00 0.00 O ATOM 0 H ASP A 22 -2.392 -13.545 -1.603 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.779 -15.113 0.828 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.252 -15.822 -2.080 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.475 -16.930 -0.967 1.00 0.00 H new ATOM 306 N CYS A 23 0.628 -14.527 0.519 1.00 0.00 N ATOM 307 CA CYS A 23 2.053 -14.330 0.360 1.00 0.00 C ATOM 308 C CYS A 23 2.812 -15.553 0.849 1.00 0.00 C ATOM 309 O CYS A 23 2.572 -16.045 1.948 1.00 0.00 O ATOM 310 CB CYS A 23 2.473 -13.088 1.137 1.00 0.00 C ATOM 311 SG CYS A 23 1.592 -11.574 0.625 1.00 0.00 S ATOM 0 H CYS A 23 0.297 -14.482 1.483 1.00 0.00 H new ATOM 0 HA CYS A 23 2.288 -14.189 -0.695 1.00 0.00 H new ATOM 0 HB2 CYS A 23 2.299 -13.258 2.199 1.00 0.00 H new ATOM 0 HB3 CYS A 23 3.545 -12.935 1.010 1.00 0.00 H new ATOM 315 N ILE A 24 3.747 -16.019 0.040 1.00 0.00 N ATOM 316 CA ILE A 24 4.529 -17.202 0.370 1.00 0.00 C ATOM 317 C ILE A 24 5.491 -16.921 1.517 1.00 0.00 C ATOM 318 O ILE A 24 6.091 -15.848 1.592 1.00 0.00 O ATOM 319 CB ILE A 24 5.311 -17.707 -0.861 1.00 0.00 C ATOM 320 CG1 ILE A 24 4.346 -17.955 -2.026 1.00 0.00 C ATOM 321 CG2 ILE A 24 6.081 -18.975 -0.529 1.00 0.00 C ATOM 322 CD1 ILE A 24 5.006 -18.519 -3.265 1.00 0.00 C ATOM 0 H ILE A 24 3.986 -15.594 -0.856 1.00 0.00 H new ATOM 0 HA ILE A 24 3.832 -17.979 0.685 1.00 0.00 H new ATOM 0 HB ILE A 24 6.031 -16.943 -1.154 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.566 -18.642 -1.698 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.856 -17.016 -2.284 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.624 -19.312 -1.412 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.787 -18.772 0.276 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.384 -19.752 -0.213 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.256 -18.666 -4.042 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.766 -17.824 -3.621 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.472 -19.475 -3.026 1.00 0.00 H new ATOM 333 N ASN A 25 5.607 -17.884 2.418 1.00 0.00 N ATOM 334 CA ASN A 25 6.490 -17.757 3.567 1.00 0.00 C ATOM 335 C ASN A 25 7.648 -18.744 3.432 1.00 0.00 C ATOM 336 O ASN A 25 7.820 -19.342 2.370 1.00 0.00 O ATOM 337 CB ASN A 25 5.714 -17.995 4.873 1.00 0.00 C ATOM 338 CG ASN A 25 5.369 -19.450 5.114 1.00 0.00 C ATOM 339 OD1 ASN A 25 6.086 -20.153 5.815 1.00 0.00 O ATOM 340 ND2 ASN A 25 4.280 -19.911 4.525 1.00 0.00 N ATOM 0 H ASN A 25 5.098 -18.767 2.375 1.00 0.00 H new ATOM 0 HA ASN A 25 6.893 -16.745 3.600 1.00 0.00 H new ATOM 0 HB2 ASN A 25 6.306 -17.627 5.711 1.00 0.00 H new ATOM 0 HB3 ASN A 25 4.794 -17.410 4.852 1.00 0.00 H new ATOM 0 HD21 ASN A 25 4.009 -20.887 4.646 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.710 -19.291 3.949 1.00 0.00 H new ATOM 346 N GLU A 26 8.419 -18.927 4.495 1.00 0.00 N ATOM 347 CA GLU A 26 9.561 -19.843 4.472 1.00 0.00 C ATOM 348 C GLU A 26 9.137 -21.272 4.115 1.00 0.00 C ATOM 349 O GLU A 26 9.917 -22.036 3.549 1.00 0.00 O ATOM 350 CB GLU A 26 10.271 -19.825 5.826 1.00 0.00 C ATOM 351 CG GLU A 26 9.360 -20.144 7.001 1.00 0.00 C ATOM 352 CD GLU A 26 10.075 -20.065 8.331 1.00 0.00 C ATOM 353 OE1 GLU A 26 11.030 -20.839 8.541 1.00 0.00 O ATOM 354 OE2 GLU A 26 9.678 -19.234 9.179 1.00 0.00 O ATOM 0 H GLU A 26 8.278 -18.454 5.388 1.00 0.00 H new ATOM 0 HA GLU A 26 10.247 -19.501 3.697 1.00 0.00 H new ATOM 0 HB2 GLU A 26 11.089 -20.545 5.806 1.00 0.00 H new ATOM 0 HB3 GLU A 26 10.716 -18.842 5.980 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.520 -19.450 7.003 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.947 -21.145 6.874 1.00 0.00 H new ATOM 359 N ASP A 27 7.896 -21.617 4.442 1.00 0.00 N ATOM 360 CA ASP A 27 7.356 -22.945 4.160 1.00 0.00 C ATOM 361 C ASP A 27 7.258 -23.197 2.660 1.00 0.00 C ATOM 362 O ASP A 27 7.353 -24.334 2.201 1.00 0.00 O ATOM 363 CB ASP A 27 5.970 -23.094 4.792 1.00 0.00 C ATOM 364 CG ASP A 27 5.376 -24.472 4.582 1.00 0.00 C ATOM 365 OD1 ASP A 27 5.644 -25.371 5.400 1.00 0.00 O ATOM 366 OD2 ASP A 27 4.631 -24.660 3.597 1.00 0.00 O ATOM 0 H ASP A 27 7.239 -20.990 4.907 1.00 0.00 H new ATOM 0 HA ASP A 27 8.038 -23.679 4.590 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.039 -22.892 5.861 1.00 0.00 H new ATOM 0 HB3 ASP A 27 5.300 -22.346 4.369 1.00 0.00 H new ATOM 370 N GLY A 28 7.083 -22.126 1.898 1.00 0.00 N ATOM 371 CA GLY A 28 6.961 -22.256 0.463 1.00 0.00 C ATOM 372 C GLY A 28 5.517 -22.201 0.025 1.00 0.00 C ATOM 373 O GLY A 28 5.215 -22.117 -1.164 1.00 0.00 O ATOM 0 H GLY A 28 7.024 -21.170 2.250 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.521 -21.458 -0.025 1.00 0.00 H new ATOM 0 HA3 GLY A 28 7.404 -23.199 0.143 1.00 0.00 H new ATOM 377 N HIS A 29 4.624 -22.241 0.999 1.00 0.00 N ATOM 378 CA HIS A 29 3.196 -22.186 0.736 1.00 0.00 C ATOM 379 C HIS A 29 2.671 -20.787 1.010 1.00 0.00 C ATOM 380 O HIS A 29 3.140 -20.103 1.924 1.00 0.00 O ATOM 381 CB HIS A 29 2.446 -23.204 1.600 1.00 0.00 C ATOM 382 CG HIS A 29 2.549 -24.614 1.103 1.00 0.00 C ATOM 383 ND1 HIS A 29 1.461 -25.448 0.970 1.00 0.00 N ATOM 384 CD2 HIS A 29 3.621 -25.335 0.708 1.00 0.00 C ATOM 385 CE1 HIS A 29 1.860 -26.619 0.512 1.00 0.00 C ATOM 386 NE2 HIS A 29 3.168 -26.577 0.343 1.00 0.00 N ATOM 0 H HIS A 29 4.866 -22.312 1.987 1.00 0.00 H new ATOM 0 HA HIS A 29 3.029 -22.433 -0.312 1.00 0.00 H new ATOM 0 HB2 HIS A 29 2.834 -23.158 2.618 1.00 0.00 H new ATOM 0 HB3 HIS A 29 1.394 -22.921 1.647 1.00 0.00 H new ATOM 0 HD2 HIS A 29 4.646 -24.996 0.684 1.00 0.00 H new ATOM 0 HE1 HIS A 29 1.224 -27.468 0.310 1.00 0.00 H new ATOM 0 HE2 HIS A 29 3.747 -27.342 -0.002 1.00 0.00 H new ATOM 394 N PRO A 30 1.722 -20.332 0.188 1.00 0.00 N ATOM 395 CA PRO A 30 1.111 -19.014 0.338 1.00 0.00 C ATOM 396 C PRO A 30 0.329 -18.882 1.645 1.00 0.00 C ATOM 397 O PRO A 30 -0.597 -19.645 1.912 1.00 0.00 O ATOM 398 CB PRO A 30 0.171 -18.906 -0.866 1.00 0.00 C ATOM 399 CG PRO A 30 -0.058 -20.307 -1.317 1.00 0.00 C ATOM 400 CD PRO A 30 1.192 -21.061 -0.975 1.00 0.00 C ATOM 0 HA PRO A 30 1.861 -18.223 0.374 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -0.767 -18.424 -0.590 1.00 0.00 H new ATOM 0 HB3 PRO A 30 0.616 -18.306 -1.659 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -0.924 -20.741 -0.818 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -0.256 -20.345 -2.388 1.00 0.00 H new ATOM 0 HD2 PRO A 30 0.980 -22.103 -0.734 1.00 0.00 H new ATOM 0 HD3 PRO A 30 1.899 -21.064 -1.804 1.00 0.00 H new ATOM 405 N HIS A 31 0.720 -17.908 2.451 1.00 0.00 N ATOM 406 CA HIS A 31 0.082 -17.639 3.731 1.00 0.00 C ATOM 407 C HIS A 31 -0.799 -16.404 3.610 1.00 0.00 C ATOM 408 O HIS A 31 -0.397 -15.397 3.024 1.00 0.00 O ATOM 409 CB HIS A 31 1.142 -17.437 4.828 1.00 0.00 C ATOM 410 CG HIS A 31 0.576 -17.076 6.173 1.00 0.00 C ATOM 411 ND1 HIS A 31 0.854 -15.887 6.813 1.00 0.00 N ATOM 412 CD2 HIS A 31 -0.251 -17.756 7.001 1.00 0.00 C ATOM 413 CE1 HIS A 31 0.224 -15.854 7.972 1.00 0.00 C ATOM 414 NE2 HIS A 31 -0.455 -16.975 8.110 1.00 0.00 N ATOM 0 H HIS A 31 1.493 -17.278 2.235 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.536 -18.493 4.008 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.726 -18.352 4.926 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.830 -16.652 4.513 1.00 0.00 H new ATOM 0 HD1 HIS A 31 1.454 -15.147 6.447 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -0.673 -18.734 6.821 1.00 0.00 H new ATOM 0 HE1 HIS A 31 0.259 -15.045 8.687 1.00 0.00 H new ATOM 422 N ALA A 32 -2.000 -16.494 4.148 1.00 0.00 N ATOM 423 CA ALA A 32 -2.946 -15.394 4.102 1.00 0.00 C ATOM 424 C ALA A 32 -2.520 -14.251 5.020 1.00 0.00 C ATOM 425 O ALA A 32 -2.277 -14.451 6.211 1.00 0.00 O ATOM 426 CB ALA A 32 -4.325 -15.896 4.475 1.00 0.00 C ATOM 0 H ALA A 32 -2.347 -17.325 4.626 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.969 -15.000 3.086 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.035 -15.069 4.440 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.633 -16.669 3.771 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.301 -16.311 5.482 1.00 0.00 H new ATOM 432 N THR A 33 -2.408 -13.061 4.451 1.00 0.00 N ATOM 433 CA THR A 33 -2.021 -11.876 5.201 1.00 0.00 C ATOM 434 C THR A 33 -2.774 -10.660 4.671 1.00 0.00 C ATOM 435 O THR A 33 -3.281 -10.677 3.545 1.00 0.00 O ATOM 436 CB THR A 33 -0.495 -11.631 5.111 1.00 0.00 C ATOM 437 OG1 THR A 33 -0.113 -10.517 5.932 1.00 0.00 O ATOM 438 CG2 THR A 33 -0.081 -11.371 3.672 1.00 0.00 C ATOM 0 H THR A 33 -2.582 -12.889 3.461 1.00 0.00 H new ATOM 0 HA THR A 33 -2.278 -12.036 6.248 1.00 0.00 H new ATOM 0 HB THR A 33 0.012 -12.526 5.471 1.00 0.00 H new ATOM 0 HG1 THR A 33 0.257 -10.846 6.778 1.00 0.00 H new ATOM 0 HG21 THR A 33 0.995 -11.201 3.628 1.00 0.00 H new ATOM 0 HG22 THR A 33 -0.337 -12.234 3.058 1.00 0.00 H new ATOM 0 HG23 THR A 33 -0.603 -10.491 3.297 1.00 0.00 H new ATOM 446 N SER A 34 -2.857 -9.616 5.478 1.00 0.00 N ATOM 447 CA SER A 34 -3.549 -8.406 5.082 1.00 0.00 C ATOM 448 C SER A 34 -2.787 -7.172 5.535 1.00 0.00 C ATOM 449 O SER A 34 -2.013 -7.230 6.487 1.00 0.00 O ATOM 450 CB SER A 34 -4.954 -8.398 5.667 1.00 0.00 C ATOM 451 OG SER A 34 -4.933 -8.592 7.076 1.00 0.00 O ATOM 0 H SER A 34 -2.452 -9.584 6.414 1.00 0.00 H new ATOM 0 HA SER A 34 -3.613 -8.386 3.994 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.440 -7.450 5.436 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.548 -9.183 5.199 1.00 0.00 H new ATOM 0 HG SER A 34 -5.850 -8.580 7.422 1.00 0.00 H new ATOM 456 N ILE A 35 -2.992 -6.065 4.837 1.00 0.00 N ATOM 457 CA ILE A 35 -2.337 -4.814 5.175 1.00 0.00 C ATOM 458 C ILE A 35 -3.310 -3.657 4.993 1.00 0.00 C ATOM 459 O ILE A 35 -4.157 -3.690 4.104 1.00 0.00 O ATOM 460 CB ILE A 35 -1.091 -4.526 4.293 1.00 0.00 C ATOM 461 CG1 ILE A 35 -0.234 -5.775 4.087 1.00 0.00 C ATOM 462 CG2 ILE A 35 -0.247 -3.419 4.912 1.00 0.00 C ATOM 463 CD1 ILE A 35 -0.574 -6.547 2.824 1.00 0.00 C ATOM 0 H ILE A 35 -3.611 -6.010 4.028 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.013 -4.908 6.211 1.00 0.00 H new ATOM 0 HB ILE A 35 -1.455 -4.205 3.317 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.816 -5.483 4.052 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.354 -6.433 4.948 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.622 -3.229 4.282 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.842 -2.510 4.993 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.084 -3.725 5.904 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.075 -7.420 2.745 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -1.614 -6.870 2.864 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.427 -5.906 1.955 1.00 0.00 H new ATOM 474 N ASN A 36 -3.206 -2.646 5.833 1.00 0.00 N ATOM 475 CA ASN A 36 -4.074 -1.486 5.714 1.00 0.00 C ATOM 476 C ASN A 36 -3.319 -0.349 5.030 1.00 0.00 C ATOM 477 O ASN A 36 -2.472 0.299 5.644 1.00 0.00 O ATOM 478 CB ASN A 36 -4.580 -1.029 7.084 1.00 0.00 C ATOM 479 CG ASN A 36 -5.791 -0.126 6.979 1.00 0.00 C ATOM 480 OD1 ASN A 36 -5.956 0.814 7.743 1.00 0.00 O ATOM 481 ND2 ASN A 36 -6.660 -0.405 6.039 1.00 0.00 N ATOM 0 H ASN A 36 -2.535 -2.602 6.600 1.00 0.00 H new ATOM 0 HA ASN A 36 -4.939 -1.765 5.113 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -4.832 -1.902 7.685 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.781 -0.502 7.606 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.497 0.168 5.932 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.499 -1.195 5.414 1.00 0.00 H new ATOM 487 N LEU A 37 -3.631 -0.109 3.760 1.00 0.00 N ATOM 488 CA LEU A 37 -2.962 0.935 2.983 1.00 0.00 C ATOM 489 C LEU A 37 -3.257 2.310 3.556 1.00 0.00 C ATOM 490 O LEU A 37 -2.502 3.252 3.347 1.00 0.00 O ATOM 491 CB LEU A 37 -3.405 0.917 1.511 1.00 0.00 C ATOM 492 CG LEU A 37 -3.213 -0.393 0.745 1.00 0.00 C ATOM 493 CD1 LEU A 37 -1.868 -1.029 1.059 1.00 0.00 C ATOM 494 CD2 LEU A 37 -4.353 -1.349 1.036 1.00 0.00 C ATOM 0 H LEU A 37 -4.345 -0.624 3.244 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.893 0.730 3.039 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.462 1.181 1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.861 1.701 0.984 1.00 0.00 H new ATOM 0 HG LEU A 37 -3.221 -0.165 -0.321 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.765 -1.958 0.498 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.067 -0.345 0.778 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.806 -1.241 2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.201 -2.276 0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.384 -1.564 2.104 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.296 -0.895 0.730 1.00 0.00 H new ATOM 505 N ASN A 38 -4.352 2.415 4.297 1.00 0.00 N ATOM 506 CA ASN A 38 -4.765 3.687 4.880 1.00 0.00 C ATOM 507 C ASN A 38 -3.752 4.211 5.900 1.00 0.00 C ATOM 508 O ASN A 38 -3.813 5.368 6.302 1.00 0.00 O ATOM 509 CB ASN A 38 -6.148 3.545 5.514 1.00 0.00 C ATOM 510 CG ASN A 38 -6.926 4.845 5.483 1.00 0.00 C ATOM 511 OD1 ASN A 38 -6.636 5.732 4.684 1.00 0.00 O ATOM 512 ND2 ASN A 38 -7.949 4.949 6.313 1.00 0.00 N ATOM 0 H ASN A 38 -4.972 1.634 4.510 1.00 0.00 H new ATOM 0 HA ASN A 38 -4.812 4.421 4.076 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.710 2.774 4.987 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.041 3.212 6.546 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.529 5.788 6.304 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.158 4.191 6.962 1.00 0.00 H new ATOM 518 N TYR A 39 -2.819 3.362 6.316 1.00 0.00 N ATOM 519 CA TYR A 39 -1.792 3.773 7.267 1.00 0.00 C ATOM 520 C TYR A 39 -0.434 3.898 6.584 1.00 0.00 C ATOM 521 O TYR A 39 0.555 4.245 7.228 1.00 0.00 O ATOM 522 CB TYR A 39 -1.666 2.773 8.421 1.00 0.00 C ATOM 523 CG TYR A 39 -2.906 2.625 9.268 1.00 0.00 C ATOM 524 CD1 TYR A 39 -3.489 3.721 9.893 1.00 0.00 C ATOM 525 CD2 TYR A 39 -3.494 1.384 9.447 1.00 0.00 C ATOM 526 CE1 TYR A 39 -4.623 3.578 10.669 1.00 0.00 C ATOM 527 CE2 TYR A 39 -4.626 1.233 10.220 1.00 0.00 C ATOM 528 CZ TYR A 39 -5.187 2.332 10.829 1.00 0.00 C ATOM 529 OH TYR A 39 -6.317 2.182 11.601 1.00 0.00 O ATOM 0 H TYR A 39 -2.752 2.391 6.012 1.00 0.00 H new ATOM 0 HA TYR A 39 -2.097 4.742 7.661 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -1.405 1.797 8.011 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -0.840 3.081 9.062 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.049 4.700 9.770 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -3.058 0.518 8.972 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.065 4.439 11.148 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -5.070 0.257 10.347 1.00 0.00 H new ATOM 0 HH TYR A 39 -6.585 1.239 11.608 1.00 0.00 H new ATOM 538 N TYR A 40 -0.373 3.603 5.289 1.00 0.00 N ATOM 539 CA TYR A 40 0.897 3.666 4.567 1.00 0.00 C ATOM 540 C TYR A 40 0.807 4.510 3.312 1.00 0.00 C ATOM 541 O TYR A 40 1.820 4.805 2.689 1.00 0.00 O ATOM 542 CB TYR A 40 1.391 2.250 4.252 1.00 0.00 C ATOM 543 CG TYR A 40 1.513 1.395 5.497 1.00 0.00 C ATOM 544 CD1 TYR A 40 2.414 1.730 6.496 1.00 0.00 C ATOM 545 CD2 TYR A 40 0.710 0.275 5.686 1.00 0.00 C ATOM 546 CE1 TYR A 40 2.516 0.980 7.650 1.00 0.00 C ATOM 547 CE2 TYR A 40 0.809 -0.485 6.836 1.00 0.00 C ATOM 548 CZ TYR A 40 1.713 -0.128 7.817 1.00 0.00 C ATOM 549 OH TYR A 40 1.814 -0.878 8.969 1.00 0.00 O ATOM 0 H TYR A 40 -1.174 3.322 4.723 1.00 0.00 H new ATOM 0 HA TYR A 40 1.623 4.158 5.215 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.703 1.774 3.553 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.360 2.307 3.756 1.00 0.00 H new ATOM 0 HD1 TYR A 40 3.048 2.595 6.369 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.001 -0.005 4.923 1.00 0.00 H new ATOM 0 HE1 TYR A 40 3.221 1.260 8.418 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.182 -1.355 6.967 1.00 0.00 H new ATOM 0 HH TYR A 40 1.179 -1.623 8.931 1.00 0.00 H new ATOM 558 N ILE A 41 -0.394 4.897 2.942 1.00 0.00 N ATOM 559 CA ILE A 41 -0.583 5.744 1.789 1.00 0.00 C ATOM 560 C ILE A 41 -1.353 6.984 2.206 1.00 0.00 C ATOM 561 O ILE A 41 -2.341 6.900 2.940 1.00 0.00 O ATOM 562 CB ILE A 41 -1.317 5.043 0.626 1.00 0.00 C ATOM 563 CG1 ILE A 41 -0.395 4.067 -0.117 1.00 0.00 C ATOM 564 CG2 ILE A 41 -1.860 6.080 -0.343 1.00 0.00 C ATOM 565 CD1 ILE A 41 -0.215 2.736 0.573 1.00 0.00 C ATOM 0 H ILE A 41 -1.254 4.637 3.425 1.00 0.00 H new ATOM 0 HA ILE A 41 0.408 6.005 1.417 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.142 4.469 1.049 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.797 3.894 -1.115 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.582 4.533 -0.243 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.377 5.578 -1.161 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.557 6.736 0.179 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.036 6.671 -0.743 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.450 2.107 -0.018 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.218 2.894 1.561 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.183 2.245 0.675 1.00 0.00 H new ATOM 576 N GLY A 42 -0.883 8.133 1.760 1.00 0.00 N ATOM 577 CA GLY A 42 -1.535 9.373 2.105 1.00 0.00 C ATOM 578 C GLY A 42 -2.150 10.054 0.911 1.00 0.00 C ATOM 579 O GLY A 42 -2.031 9.577 -0.218 1.00 0.00 O ATOM 0 H GLY A 42 -0.061 8.230 1.164 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.310 9.178 2.847 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.811 10.043 2.569 1.00 0.00 H new ATOM 583 N ASN A 43 -2.795 11.175 1.164 1.00 0.00 N ATOM 584 CA ASN A 43 -3.449 11.937 0.116 1.00 0.00 C ATOM 585 C ASN A 43 -2.763 13.280 -0.071 1.00 0.00 C ATOM 586 O ASN A 43 -2.941 14.201 0.727 1.00 0.00 O ATOM 587 CB ASN A 43 -4.930 12.145 0.454 1.00 0.00 C ATOM 588 CG ASN A 43 -5.644 13.036 -0.548 1.00 0.00 C ATOM 589 OD1 ASN A 43 -5.282 13.092 -1.722 1.00 0.00 O ATOM 590 ND2 ASN A 43 -6.661 13.744 -0.085 1.00 0.00 N ATOM 0 H ASN A 43 -2.881 11.583 2.095 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.376 11.375 -0.815 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -5.429 11.176 0.492 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -5.013 12.585 1.448 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.176 14.365 -0.709 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -6.930 13.669 0.896 1.00 0.00 H new ATOM 596 N ASP A 44 -1.960 13.378 -1.116 1.00 0.00 N ATOM 597 CA ASP A 44 -1.263 14.613 -1.427 1.00 0.00 C ATOM 598 C ASP A 44 -1.975 15.314 -2.572 1.00 0.00 C ATOM 599 O ASP A 44 -1.864 14.905 -3.728 1.00 0.00 O ATOM 600 CB ASP A 44 0.200 14.317 -1.783 1.00 0.00 C ATOM 601 CG ASP A 44 0.936 15.523 -2.343 1.00 0.00 C ATOM 602 OD1 ASP A 44 1.352 16.391 -1.552 1.00 0.00 O ATOM 603 OD2 ASP A 44 1.129 15.591 -3.576 1.00 0.00 O ATOM 0 H ASP A 44 -1.774 12.614 -1.766 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.268 15.270 -0.557 1.00 0.00 H new ATOM 0 HB2 ASP A 44 0.720 13.964 -0.892 1.00 0.00 H new ATOM 0 HB3 ASP A 44 0.233 13.508 -2.513 1.00 0.00 H new ATOM 607 N ASN A 45 -2.720 16.364 -2.230 1.00 0.00 N ATOM 608 CA ASN A 45 -3.481 17.152 -3.201 1.00 0.00 C ATOM 609 C ASN A 45 -4.291 16.279 -4.157 1.00 0.00 C ATOM 610 O ASN A 45 -4.290 16.501 -5.369 1.00 0.00 O ATOM 611 CB ASN A 45 -2.560 18.076 -3.989 1.00 0.00 C ATOM 612 CG ASN A 45 -2.335 19.402 -3.292 1.00 0.00 C ATOM 613 OD1 ASN A 45 -2.339 19.487 -2.064 1.00 0.00 O ATOM 614 ND2 ASN A 45 -2.150 20.448 -4.077 1.00 0.00 N ATOM 0 H ASN A 45 -2.814 16.694 -1.269 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.189 17.752 -2.629 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.600 17.582 -4.143 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -2.988 18.256 -4.975 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.003 21.372 -3.670 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.154 20.332 -5.090 1.00 0.00 H new ATOM 620 N GLY A 46 -4.973 15.284 -3.612 1.00 0.00 N ATOM 621 CA GLY A 46 -5.792 14.411 -4.432 1.00 0.00 C ATOM 622 C GLY A 46 -5.013 13.303 -5.111 1.00 0.00 C ATOM 623 O GLY A 46 -5.519 12.662 -6.031 1.00 0.00 O ATOM 0 H GLY A 46 -4.975 15.064 -2.616 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.570 13.968 -3.810 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.294 15.008 -5.193 1.00 0.00 H new ATOM 627 N ARG A 47 -3.790 13.068 -4.666 1.00 0.00 N ATOM 628 CA ARG A 47 -2.954 12.030 -5.251 1.00 0.00 C ATOM 629 C ARG A 47 -2.486 11.045 -4.195 1.00 0.00 C ATOM 630 O ARG A 47 -2.262 11.413 -3.042 1.00 0.00 O ATOM 631 CB ARG A 47 -1.742 12.647 -5.944 1.00 0.00 C ATOM 632 CG ARG A 47 -1.779 12.535 -7.459 1.00 0.00 C ATOM 633 CD ARG A 47 -3.041 13.148 -8.044 1.00 0.00 C ATOM 634 NE ARG A 47 -3.147 14.576 -7.749 1.00 0.00 N ATOM 635 CZ ARG A 47 -3.568 15.488 -8.620 1.00 0.00 C ATOM 636 NH1 ARG A 47 -3.934 15.126 -9.844 1.00 0.00 N ATOM 637 NH2 ARG A 47 -3.615 16.764 -8.263 1.00 0.00 N ATOM 0 H ARG A 47 -3.353 13.582 -3.901 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.556 11.495 -5.985 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.674 13.699 -5.668 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.838 12.162 -5.575 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -0.905 13.032 -7.881 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -1.719 11.485 -7.747 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.048 13.000 -9.124 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.913 12.630 -7.645 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.881 14.892 -6.816 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -3.893 14.145 -10.119 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.256 15.829 -10.509 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.329 17.042 -7.324 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.937 17.468 -8.927 1.00 0.00 H new ATOM 648 N LEU A 48 -2.333 9.797 -4.608 1.00 0.00 N ATOM 649 CA LEU A 48 -1.889 8.741 -3.714 1.00 0.00 C ATOM 650 C LEU A 48 -0.412 8.915 -3.396 1.00 0.00 C ATOM 651 O LEU A 48 0.421 8.941 -4.300 1.00 0.00 O ATOM 652 CB LEU A 48 -2.130 7.374 -4.358 1.00 0.00 C ATOM 653 CG LEU A 48 -3.533 7.173 -4.919 1.00 0.00 C ATOM 654 CD1 LEU A 48 -3.722 5.748 -5.396 1.00 0.00 C ATOM 655 CD2 LEU A 48 -4.569 7.530 -3.875 1.00 0.00 C ATOM 0 H LEU A 48 -2.511 9.490 -5.564 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.459 8.800 -2.787 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.408 7.234 -5.163 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -1.935 6.599 -3.617 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.661 7.834 -5.776 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.730 5.628 -5.792 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.996 5.527 -6.178 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.576 5.062 -4.561 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.567 7.382 -4.287 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.440 6.892 -3.001 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.447 8.573 -3.584 1.00 0.00 H new ATOM 666 N GLU A 49 -0.089 9.049 -2.122 1.00 0.00 N ATOM 667 CA GLU A 49 1.290 9.234 -1.714 1.00 0.00 C ATOM 668 C GLU A 49 1.807 7.999 -0.968 1.00 0.00 C ATOM 669 O GLU A 49 1.204 7.539 -0.002 1.00 0.00 O ATOM 670 CB GLU A 49 1.410 10.503 -0.872 1.00 0.00 C ATOM 671 CG GLU A 49 2.835 10.976 -0.668 1.00 0.00 C ATOM 672 CD GLU A 49 3.489 11.405 -1.965 1.00 0.00 C ATOM 673 OE1 GLU A 49 3.929 10.527 -2.727 1.00 0.00 O ATOM 674 OE2 GLU A 49 3.566 12.625 -2.222 1.00 0.00 O ATOM 0 H GLU A 49 -0.761 9.033 -1.355 1.00 0.00 H new ATOM 0 HA GLU A 49 1.916 9.354 -2.598 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.839 11.299 -1.350 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.954 10.325 0.102 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.842 11.811 0.033 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.420 10.175 -0.216 1.00 0.00 H new ATOM 679 N TYR A 50 2.940 7.499 -1.447 1.00 0.00 N ATOM 680 CA TYR A 50 3.615 6.294 -0.935 1.00 0.00 C ATOM 681 C TYR A 50 3.836 6.178 0.496 1.00 0.00 C ATOM 682 O TYR A 50 3.910 5.043 0.963 1.00 0.00 O ATOM 683 CB TYR A 50 4.898 5.993 -1.726 1.00 0.00 C ATOM 684 CG TYR A 50 5.765 7.200 -2.036 1.00 0.00 C ATOM 685 CD1 TYR A 50 6.711 7.658 -1.131 1.00 0.00 C ATOM 686 CD2 TYR A 50 5.641 7.873 -3.244 1.00 0.00 C ATOM 687 CE1 TYR A 50 7.501 8.754 -1.418 1.00 0.00 C ATOM 688 CE2 TYR A 50 6.429 8.968 -3.537 1.00 0.00 C ATOM 689 CZ TYR A 50 7.356 9.403 -2.622 1.00 0.00 C ATOM 690 OH TYR A 50 8.141 10.495 -2.909 1.00 0.00 O ATOM 0 H TYR A 50 3.437 7.929 -2.227 1.00 0.00 H new ATOM 0 HA TYR A 50 2.864 5.524 -1.110 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.493 5.274 -1.163 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.623 5.513 -2.665 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.832 7.149 -0.186 1.00 0.00 H new ATOM 0 HD2 TYR A 50 4.915 7.534 -3.968 1.00 0.00 H new ATOM 0 HE1 TYR A 50 8.230 9.100 -0.700 1.00 0.00 H new ATOM 0 HE2 TYR A 50 6.317 9.480 -4.481 1.00 0.00 H new ATOM 0 HH TYR A 50 7.914 10.836 -3.799 1.00 0.00 H new ATOM 699 N PRO A 51 3.995 7.187 1.273 1.00 0.00 N ATOM 700 CA PRO A 51 4.170 6.827 2.601 1.00 0.00 C ATOM 701 C PRO A 51 3.296 7.532 3.591 1.00 0.00 C ATOM 702 O PRO A 51 3.559 7.597 4.791 1.00 0.00 O ATOM 703 CB PRO A 51 5.527 7.304 2.732 1.00 0.00 C ATOM 704 CG PRO A 51 5.555 8.630 2.007 1.00 0.00 C ATOM 705 CD PRO A 51 4.423 8.553 1.021 1.00 0.00 C ATOM 0 HA PRO A 51 3.944 5.780 2.804 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.803 7.423 3.780 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.235 6.601 2.294 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.421 9.462 2.699 1.00 0.00 H new ATOM 0 HG3 PRO A 51 6.509 8.785 1.503 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.639 9.284 1.222 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.749 8.709 -0.007 1.00 0.00 H new ATOM 710 N GLY A 52 2.314 8.069 3.026 1.00 0.00 N ATOM 711 CA GLY A 52 1.354 8.868 3.708 1.00 0.00 C ATOM 712 C GLY A 52 0.461 8.125 4.686 1.00 0.00 C ATOM 713 O GLY A 52 0.640 6.936 4.934 1.00 0.00 O ATOM 0 H GLY A 52 2.128 7.973 2.028 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.880 9.655 4.249 1.00 0.00 H new ATOM 0 HA3 GLY A 52 0.723 9.358 2.967 1.00 0.00 H new ATOM 717 N GLU A 53 -0.505 8.848 5.244 1.00 0.00 N ATOM 718 CA GLU A 53 -1.453 8.277 6.191 1.00 0.00 C ATOM 719 C GLU A 53 -2.835 8.889 5.994 1.00 0.00 C ATOM 720 O GLU A 53 -2.957 10.058 5.612 1.00 0.00 O ATOM 721 CB GLU A 53 -1.006 8.515 7.638 1.00 0.00 C ATOM 722 CG GLU A 53 0.263 7.782 8.030 1.00 0.00 C ATOM 723 CD GLU A 53 0.596 7.956 9.497 1.00 0.00 C ATOM 724 OE1 GLU A 53 1.115 9.027 9.876 1.00 0.00 O ATOM 725 OE2 GLU A 53 0.328 7.024 10.285 1.00 0.00 O ATOM 0 H GLU A 53 -0.651 9.839 5.053 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.493 7.204 6.005 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.855 9.584 7.788 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.809 8.210 8.309 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.150 6.721 7.808 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.093 8.148 7.425 1.00 0.00 H new ATOM 730 N SER A 54 -3.860 8.089 6.258 1.00 0.00 N ATOM 731 CA SER A 54 -5.253 8.507 6.154 1.00 0.00 C ATOM 732 C SER A 54 -5.622 9.013 4.753 1.00 0.00 C ATOM 733 O SER A 54 -6.025 10.167 4.590 1.00 0.00 O ATOM 734 CB SER A 54 -5.545 9.594 7.185 1.00 0.00 C ATOM 735 OG SER A 54 -4.966 9.291 8.447 1.00 0.00 O ATOM 0 H SER A 54 -3.746 7.120 6.554 1.00 0.00 H new ATOM 0 HA SER A 54 -5.864 7.626 6.348 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.158 10.548 6.827 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.623 9.709 7.297 1.00 0.00 H new ATOM 0 HG SER A 54 -5.171 10.009 9.082 1.00 0.00 H new ATOM 740 N PHE A 55 -5.490 8.161 3.743 1.00 0.00 N ATOM 741 CA PHE A 55 -5.845 8.559 2.386 1.00 0.00 C ATOM 742 C PHE A 55 -7.315 8.234 2.119 1.00 0.00 C ATOM 743 O PHE A 55 -8.022 9.005 1.478 1.00 0.00 O ATOM 744 CB PHE A 55 -4.943 7.874 1.341 1.00 0.00 C ATOM 745 CG PHE A 55 -5.325 6.454 1.002 1.00 0.00 C ATOM 746 CD1 PHE A 55 -5.004 5.407 1.849 1.00 0.00 C ATOM 747 CD2 PHE A 55 -6.008 6.171 -0.171 1.00 0.00 C ATOM 748 CE1 PHE A 55 -5.356 4.108 1.534 1.00 0.00 C ATOM 749 CE2 PHE A 55 -6.362 4.874 -0.492 1.00 0.00 C ATOM 750 CZ PHE A 55 -6.037 3.841 0.364 1.00 0.00 C ATOM 0 H PHE A 55 -5.146 7.205 3.834 1.00 0.00 H new ATOM 0 HA PHE A 55 -5.692 9.634 2.296 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -4.958 8.467 0.426 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.917 7.880 1.709 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -4.472 5.608 2.767 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -6.267 6.975 -0.843 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -5.098 3.301 2.204 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.892 4.669 -1.411 1.00 0.00 H new ATOM 0 HZ PHE A 55 -6.315 2.827 0.119 1.00 0.00 H new ATOM 759 N GLY A 56 -7.782 7.122 2.692 1.00 0.00 N ATOM 760 CA GLY A 56 -9.154 6.671 2.496 1.00 0.00 C ATOM 761 C GLY A 56 -10.171 7.693 2.946 1.00 0.00 C ATOM 762 O GLY A 56 -11.334 7.648 2.548 1.00 0.00 O ATOM 0 H GLY A 56 -7.225 6.518 3.297 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -9.312 6.447 1.441 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.309 5.743 3.046 1.00 0.00 H new ATOM 766 N SER A 57 -9.716 8.616 3.776 1.00 0.00 N ATOM 767 CA SER A 57 -10.548 9.681 4.296 1.00 0.00 C ATOM 768 C SER A 57 -11.070 10.580 3.172 1.00 0.00 C ATOM 769 O SER A 57 -12.114 11.220 3.313 1.00 0.00 O ATOM 770 CB SER A 57 -9.730 10.493 5.298 1.00 0.00 C ATOM 771 OG SER A 57 -9.386 9.708 6.426 1.00 0.00 O ATOM 0 H SER A 57 -8.752 8.645 4.109 1.00 0.00 H new ATOM 0 HA SER A 57 -11.418 9.248 4.790 1.00 0.00 H new ATOM 0 HB2 SER A 57 -8.824 10.863 4.818 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.301 11.365 5.617 1.00 0.00 H new ATOM 0 HG SER A 57 -8.861 10.248 7.053 1.00 0.00 H new ATOM 776 N SER A 58 -10.345 10.623 2.060 1.00 0.00 N ATOM 777 CA SER A 58 -10.750 11.439 0.924 1.00 0.00 C ATOM 778 C SER A 58 -10.455 10.729 -0.399 1.00 0.00 C ATOM 779 O SER A 58 -10.251 11.382 -1.425 1.00 0.00 O ATOM 780 CB SER A 58 -10.028 12.791 0.963 1.00 0.00 C ATOM 781 OG SER A 58 -10.268 13.470 2.186 1.00 0.00 O ATOM 0 H SER A 58 -9.478 10.104 1.922 1.00 0.00 H new ATOM 0 HA SER A 58 -11.826 11.602 0.991 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.957 12.637 0.834 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.363 13.409 0.130 1.00 0.00 H new ATOM 0 HG SER A 58 -9.794 14.328 2.182 1.00 0.00 H new ATOM 786 N CYS A 59 -10.437 9.398 -0.385 1.00 0.00 N ATOM 787 CA CYS A 59 -10.159 8.638 -1.597 1.00 0.00 C ATOM 788 C CYS A 59 -11.212 7.568 -1.845 1.00 0.00 C ATOM 789 O CYS A 59 -11.825 7.046 -0.911 1.00 0.00 O ATOM 790 CB CYS A 59 -8.783 7.980 -1.523 1.00 0.00 C ATOM 791 SG CYS A 59 -7.403 9.146 -1.305 1.00 0.00 S ATOM 0 H CYS A 59 -10.610 8.830 0.444 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.180 9.346 -2.426 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -8.777 7.270 -0.696 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -8.618 7.407 -2.436 1.00 0.00 H new ATOM 795 N VAL A 60 -11.404 7.255 -3.119 1.00 0.00 N ATOM 796 CA VAL A 60 -12.360 6.244 -3.567 1.00 0.00 C ATOM 797 C VAL A 60 -11.815 5.554 -4.816 1.00 0.00 C ATOM 798 O VAL A 60 -10.766 5.951 -5.324 1.00 0.00 O ATOM 799 CB VAL A 60 -13.747 6.845 -3.893 1.00 0.00 C ATOM 800 CG1 VAL A 60 -14.465 7.304 -2.632 1.00 0.00 C ATOM 801 CG2 VAL A 60 -13.607 7.992 -4.877 1.00 0.00 C ATOM 0 H VAL A 60 -10.895 7.700 -3.883 1.00 0.00 H new ATOM 0 HA VAL A 60 -12.489 5.533 -2.751 1.00 0.00 H new ATOM 0 HB VAL A 60 -14.352 6.063 -4.351 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -15.436 7.721 -2.898 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -14.605 6.455 -1.964 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -13.868 8.066 -2.130 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -14.591 8.405 -5.097 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.976 8.768 -4.444 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -13.152 7.628 -5.798 1.00 0.00 H new ATOM 811 N LYS A 61 -12.528 4.537 -5.308 1.00 0.00 N ATOM 812 CA LYS A 61 -12.106 3.788 -6.500 1.00 0.00 C ATOM 813 C LYS A 61 -10.781 3.075 -6.250 1.00 0.00 C ATOM 814 O LYS A 61 -9.898 3.068 -7.104 1.00 0.00 O ATOM 815 CB LYS A 61 -11.973 4.695 -7.731 1.00 0.00 C ATOM 816 CG LYS A 61 -13.141 4.604 -8.702 1.00 0.00 C ATOM 817 CD LYS A 61 -14.344 5.406 -8.239 1.00 0.00 C ATOM 818 CE LYS A 61 -14.070 6.900 -8.281 1.00 0.00 C ATOM 819 NZ LYS A 61 -15.303 7.695 -8.048 1.00 0.00 N ATOM 0 H LYS A 61 -13.404 4.211 -4.899 1.00 0.00 H new ATOM 0 HA LYS A 61 -12.884 3.051 -6.701 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -11.872 5.728 -7.398 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -11.055 4.439 -8.260 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -12.824 4.962 -9.681 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -13.429 3.560 -8.823 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -15.201 5.175 -8.871 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -14.609 5.112 -7.223 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -13.326 7.154 -7.526 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -13.645 7.164 -9.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -15.074 8.709 -8.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -16.004 7.472 -8.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -15.695 7.462 -7.113 1.00 0.00 H new ATOM 829 N THR A 62 -10.655 2.492 -5.070 1.00 0.00 N ATOM 830 CA THR A 62 -9.449 1.779 -4.682 1.00 0.00 C ATOM 831 C THR A 62 -9.306 0.453 -5.423 1.00 0.00 C ATOM 832 O THR A 62 -10.205 -0.389 -5.389 1.00 0.00 O ATOM 833 CB THR A 62 -9.457 1.507 -3.171 1.00 0.00 C ATOM 834 OG1 THR A 62 -10.748 1.020 -2.780 1.00 0.00 O ATOM 835 CG2 THR A 62 -9.110 2.760 -2.383 1.00 0.00 C ATOM 0 H THR A 62 -11.383 2.499 -4.356 1.00 0.00 H new ATOM 0 HA THR A 62 -8.603 2.413 -4.946 1.00 0.00 H new ATOM 0 HB THR A 62 -8.699 0.755 -2.951 1.00 0.00 H new ATOM 0 HG1 THR A 62 -11.098 0.425 -3.476 1.00 0.00 H new ATOM 0 HG21 THR A 62 -9.124 2.535 -1.317 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.116 3.105 -2.668 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.841 3.540 -2.599 1.00 0.00 H new ATOM 843 N ALA A 63 -8.171 0.274 -6.081 1.00 0.00 N ATOM 844 CA ALA A 63 -7.882 -0.945 -6.821 1.00 0.00 C ATOM 845 C ALA A 63 -6.378 -1.178 -6.864 1.00 0.00 C ATOM 846 O ALA A 63 -5.598 -0.237 -6.708 1.00 0.00 O ATOM 847 CB ALA A 63 -8.451 -0.865 -8.227 1.00 0.00 C ATOM 0 H ALA A 63 -7.425 0.969 -6.117 1.00 0.00 H new ATOM 0 HA ALA A 63 -8.355 -1.786 -6.313 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.224 -1.786 -8.764 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.532 -0.732 -8.175 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -8.006 -0.020 -8.752 1.00 0.00 H new ATOM 853 N LEU A 64 -5.971 -2.423 -7.060 1.00 0.00 N ATOM 854 CA LEU A 64 -4.554 -2.757 -7.113 1.00 0.00 C ATOM 855 C LEU A 64 -4.180 -3.308 -8.485 1.00 0.00 C ATOM 856 O LEU A 64 -4.590 -4.407 -8.858 1.00 0.00 O ATOM 857 CB LEU A 64 -4.214 -3.779 -6.017 1.00 0.00 C ATOM 858 CG LEU A 64 -3.216 -3.296 -4.955 1.00 0.00 C ATOM 859 CD1 LEU A 64 -1.815 -3.214 -5.531 1.00 0.00 C ATOM 860 CD2 LEU A 64 -3.633 -1.941 -4.404 1.00 0.00 C ATOM 0 H LEU A 64 -6.599 -3.217 -7.185 1.00 0.00 H new ATOM 0 HA LEU A 64 -3.977 -1.848 -6.942 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.137 -4.072 -5.517 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -3.810 -4.674 -6.491 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.215 -4.020 -4.140 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.125 -2.870 -4.761 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -1.507 -4.200 -5.880 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.805 -2.514 -6.366 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.913 -1.616 -3.653 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.665 -1.213 -5.215 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -4.620 -2.021 -3.949 1.00 0.00 H new ATOM 871 N ASN A 65 -3.385 -2.540 -9.221 1.00 0.00 N ATOM 872 CA ASN A 65 -2.937 -2.926 -10.552 1.00 0.00 C ATOM 873 C ASN A 65 -1.899 -4.026 -10.460 1.00 0.00 C ATOM 874 O ASN A 65 -0.838 -3.819 -9.864 1.00 0.00 O ATOM 875 CB ASN A 65 -2.321 -1.724 -11.268 1.00 0.00 C ATOM 876 CG ASN A 65 -3.254 -0.534 -11.329 1.00 0.00 C ATOM 877 OD1 ASN A 65 -3.301 0.269 -10.400 1.00 0.00 O ATOM 878 ND2 ASN A 65 -3.993 -0.406 -12.417 1.00 0.00 N ATOM 0 H ASN A 65 -3.034 -1.634 -8.912 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.800 -3.286 -11.112 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -1.403 -1.434 -10.757 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -2.043 -2.014 -12.281 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -4.633 0.383 -12.509 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.923 -1.096 -13.165 1.00 0.00 H new ATOM 884 N ASP A 66 -2.226 -5.193 -11.019 1.00 0.00 N ATOM 885 CA ASP A 66 -1.332 -6.365 -11.033 1.00 0.00 C ATOM 886 C ASP A 66 -0.824 -6.688 -9.621 1.00 0.00 C ATOM 887 O ASP A 66 0.194 -7.353 -9.438 1.00 0.00 O ATOM 888 CB ASP A 66 -0.158 -6.119 -11.992 1.00 0.00 C ATOM 889 CG ASP A 66 0.579 -7.391 -12.386 1.00 0.00 C ATOM 890 OD1 ASP A 66 0.175 -8.029 -13.378 1.00 0.00 O ATOM 891 OD2 ASP A 66 1.582 -7.739 -11.728 1.00 0.00 O ATOM 0 H ASP A 66 -3.122 -5.358 -11.478 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.898 -7.227 -11.386 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.531 -5.630 -12.892 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.546 -5.431 -11.524 1.00 0.00 H new ATOM 895 N GLY A 67 -1.551 -6.212 -8.622 1.00 0.00 N ATOM 896 CA GLY A 67 -1.173 -6.445 -7.248 1.00 0.00 C ATOM 897 C GLY A 67 0.159 -5.818 -6.873 1.00 0.00 C ATOM 898 O GLY A 67 0.928 -6.412 -6.123 1.00 0.00 O ATOM 0 H GLY A 67 -2.403 -5.664 -8.742 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -1.949 -6.049 -6.593 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -1.123 -7.519 -7.070 1.00 0.00 H new ATOM 902 N HIS A 68 0.448 -4.624 -7.397 1.00 0.00 N ATOM 903 CA HIS A 68 1.703 -3.937 -7.069 1.00 0.00 C ATOM 904 C HIS A 68 1.506 -2.422 -7.003 1.00 0.00 C ATOM 905 O HIS A 68 2.195 -1.732 -6.258 1.00 0.00 O ATOM 906 CB HIS A 68 2.834 -4.298 -8.060 1.00 0.00 C ATOM 907 CG HIS A 68 2.738 -3.664 -9.423 1.00 0.00 C ATOM 908 ND1 HIS A 68 3.537 -2.610 -9.823 1.00 0.00 N ATOM 909 CD2 HIS A 68 1.969 -3.969 -10.495 1.00 0.00 C ATOM 910 CE1 HIS A 68 3.261 -2.301 -11.078 1.00 0.00 C ATOM 911 NE2 HIS A 68 2.316 -3.111 -11.505 1.00 0.00 N ATOM 0 H HIS A 68 -0.159 -4.118 -8.041 1.00 0.00 H new ATOM 0 HA HIS A 68 2.007 -4.285 -6.082 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.787 -4.013 -7.614 1.00 0.00 H new ATOM 0 HB3 HIS A 68 2.851 -5.381 -8.184 1.00 0.00 H new ATOM 0 HD1 HIS A 68 4.232 -2.143 -9.240 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.220 -4.746 -10.545 1.00 0.00 H new ATOM 0 HE1 HIS A 68 3.731 -1.518 -11.654 1.00 0.00 H new ATOM 919 N THR A 69 0.566 -1.910 -7.781 1.00 0.00 N ATOM 920 CA THR A 69 0.287 -0.485 -7.810 1.00 0.00 C ATOM 921 C THR A 69 -1.129 -0.193 -7.321 1.00 0.00 C ATOM 922 O THR A 69 -2.069 -0.878 -7.692 1.00 0.00 O ATOM 923 CB THR A 69 0.463 0.055 -9.240 1.00 0.00 C ATOM 924 OG1 THR A 69 1.853 0.088 -9.592 1.00 0.00 O ATOM 925 CG2 THR A 69 -0.154 1.437 -9.395 1.00 0.00 C ATOM 0 H THR A 69 -0.020 -2.465 -8.405 1.00 0.00 H new ATOM 0 HA THR A 69 0.991 0.012 -7.143 1.00 0.00 H new ATOM 0 HB THR A 69 -0.060 -0.620 -9.917 1.00 0.00 H new ATOM 0 HG1 THR A 69 2.392 -0.185 -8.821 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.011 1.787 -10.417 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.220 1.386 -9.175 1.00 0.00 H new ATOM 0 HG23 THR A 69 0.326 2.130 -8.704 1.00 0.00 H new ATOM 933 N LEU A 70 -1.272 0.808 -6.474 1.00 0.00 N ATOM 934 CA LEU A 70 -2.579 1.195 -5.970 1.00 0.00 C ATOM 935 C LEU A 70 -3.137 2.339 -6.799 1.00 0.00 C ATOM 936 O LEU A 70 -2.436 3.308 -7.076 1.00 0.00 O ATOM 937 CB LEU A 70 -2.489 1.614 -4.496 1.00 0.00 C ATOM 938 CG LEU A 70 -3.663 2.449 -3.961 1.00 0.00 C ATOM 939 CD1 LEU A 70 -4.972 1.683 -4.046 1.00 0.00 C ATOM 940 CD2 LEU A 70 -3.403 2.878 -2.527 1.00 0.00 C ATOM 0 H LEU A 70 -0.499 1.370 -6.119 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.246 0.337 -6.046 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.402 0.714 -3.887 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.570 2.183 -4.356 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.748 3.337 -4.587 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.782 2.302 -3.660 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.176 1.426 -5.085 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.899 0.771 -3.454 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -4.245 3.468 -2.165 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -3.283 1.995 -1.899 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.495 3.479 -2.486 1.00 0.00 H new ATOM 951 N THR A 71 -4.381 2.207 -7.216 1.00 0.00 N ATOM 952 CA THR A 71 -5.042 3.244 -7.980 1.00 0.00 C ATOM 953 C THR A 71 -6.307 3.686 -7.275 1.00 0.00 C ATOM 954 O THR A 71 -7.094 2.856 -6.820 1.00 0.00 O ATOM 955 CB THR A 71 -5.388 2.792 -9.408 1.00 0.00 C ATOM 956 OG1 THR A 71 -5.615 1.375 -9.443 1.00 0.00 O ATOM 957 CG2 THR A 71 -4.282 3.176 -10.370 1.00 0.00 C ATOM 0 H THR A 71 -4.957 1.385 -7.036 1.00 0.00 H new ATOM 0 HA THR A 71 -4.342 4.076 -8.055 1.00 0.00 H new ATOM 0 HB THR A 71 -6.303 3.297 -9.718 1.00 0.00 H new ATOM 0 HG1 THR A 71 -4.793 0.919 -9.721 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.544 2.848 -11.376 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.153 4.258 -10.363 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.351 2.698 -10.064 1.00 0.00 H new ATOM 965 N ALA A 72 -6.476 4.990 -7.157 1.00 0.00 N ATOM 966 CA ALA A 72 -7.648 5.556 -6.509 1.00 0.00 C ATOM 967 C ALA A 72 -7.782 7.030 -6.852 1.00 0.00 C ATOM 968 O ALA A 72 -6.834 7.657 -7.321 1.00 0.00 O ATOM 969 CB ALA A 72 -7.576 5.365 -4.999 1.00 0.00 C ATOM 0 H ALA A 72 -5.812 5.683 -7.504 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.530 5.031 -6.877 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -8.463 5.796 -4.535 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.527 4.301 -4.769 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.686 5.861 -4.611 1.00 0.00 H new ATOM 975 N SER A 73 -8.958 7.574 -6.616 1.00 0.00 N ATOM 976 CA SER A 73 -9.225 8.967 -6.899 1.00 0.00 C ATOM 977 C SER A 73 -9.395 9.701 -5.581 1.00 0.00 C ATOM 978 O SER A 73 -10.209 9.301 -4.744 1.00 0.00 O ATOM 979 CB SER A 73 -10.479 9.102 -7.768 1.00 0.00 C ATOM 980 OG SER A 73 -10.654 10.434 -8.210 1.00 0.00 O ATOM 0 H SER A 73 -9.751 7.065 -6.225 1.00 0.00 H new ATOM 0 HA SER A 73 -8.393 9.403 -7.452 1.00 0.00 H new ATOM 0 HB2 SER A 73 -10.401 8.438 -8.629 1.00 0.00 H new ATOM 0 HB3 SER A 73 -11.354 8.787 -7.200 1.00 0.00 H new ATOM 0 HG SER A 73 -11.609 10.653 -8.218 1.00 0.00 H new ATOM 985 N CYS A 74 -8.620 10.751 -5.386 1.00 0.00 N ATOM 986 CA CYS A 74 -8.675 11.499 -4.144 1.00 0.00 C ATOM 987 C CYS A 74 -8.927 12.975 -4.379 1.00 0.00 C ATOM 988 O CYS A 74 -8.522 13.539 -5.395 1.00 0.00 O ATOM 989 CB CYS A 74 -7.365 11.326 -3.388 1.00 0.00 C ATOM 990 SG CYS A 74 -6.861 9.594 -3.199 1.00 0.00 S ATOM 0 H CYS A 74 -7.948 11.104 -6.067 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.507 11.107 -3.559 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -6.578 11.870 -3.911 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -7.462 11.777 -2.401 1.00 0.00 H new ATOM 994 N LYS A 75 -9.617 13.583 -3.433 1.00 0.00 N ATOM 995 CA LYS A 75 -9.920 14.999 -3.483 1.00 0.00 C ATOM 996 C LYS A 75 -8.943 15.765 -2.597 1.00 0.00 C ATOM 997 O LYS A 75 -8.518 15.258 -1.560 1.00 0.00 O ATOM 998 CB LYS A 75 -11.379 15.233 -3.049 1.00 0.00 C ATOM 999 CG LYS A 75 -11.718 16.682 -2.736 1.00 0.00 C ATOM 1000 CD LYS A 75 -11.474 16.995 -1.269 1.00 0.00 C ATOM 1001 CE LYS A 75 -11.482 18.483 -0.995 1.00 0.00 C ATOM 1002 NZ LYS A 75 -11.417 18.769 0.460 1.00 0.00 N ATOM 0 H LYS A 75 -9.983 13.108 -2.608 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.809 15.366 -4.503 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.041 14.881 -3.840 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.584 14.626 -2.167 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.114 17.343 -3.358 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.761 16.877 -2.984 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -12.240 16.511 -0.663 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.515 16.576 -0.964 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.635 18.951 -1.497 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -12.385 18.926 -1.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.424 19.798 0.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.238 18.343 0.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.543 18.367 0.854 1.00 0.00 H new ATOM 1012 N GLY A 76 -8.571 16.971 -3.011 1.00 0.00 N ATOM 1013 CA GLY A 76 -7.663 17.763 -2.203 1.00 0.00 C ATOM 1014 C GLY A 76 -6.875 18.786 -2.993 1.00 0.00 C ATOM 1015 O GLY A 76 -6.378 19.758 -2.426 1.00 0.00 O ATOM 0 H GLY A 76 -8.877 17.410 -3.880 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.234 18.277 -1.429 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -6.967 17.095 -1.695 1.00 0.00 H new ATOM 1019 N ALA A 77 -6.747 18.569 -4.296 1.00 0.00 N ATOM 1020 CA ALA A 77 -6.013 19.494 -5.157 1.00 0.00 C ATOM 1021 C ALA A 77 -6.669 20.871 -5.181 1.00 0.00 C ATOM 1022 O ALA A 77 -5.983 21.891 -5.191 1.00 0.00 O ATOM 1023 CB ALA A 77 -5.916 18.933 -6.566 1.00 0.00 C ATOM 0 H ALA A 77 -7.140 17.763 -4.781 1.00 0.00 H new ATOM 0 HA ALA A 77 -5.009 19.609 -4.748 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.367 19.631 -7.198 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -5.393 17.977 -6.542 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -6.918 18.788 -6.970 1.00 0.00 H new ATOM 1029 N ASP A 78 -7.998 20.886 -5.177 1.00 0.00 N ATOM 1030 CA ASP A 78 -8.762 22.136 -5.207 1.00 0.00 C ATOM 1031 C ASP A 78 -10.249 21.836 -5.039 1.00 0.00 C ATOM 1032 O ASP A 78 -11.075 22.203 -5.875 1.00 0.00 O ATOM 1033 CB ASP A 78 -8.514 22.890 -6.523 1.00 0.00 C ATOM 1034 CG ASP A 78 -9.171 24.258 -6.552 1.00 0.00 C ATOM 1035 OD1 ASP A 78 -8.958 25.047 -5.605 1.00 0.00 O ATOM 1036 OD2 ASP A 78 -9.894 24.556 -7.525 1.00 0.00 O ATOM 0 H ASP A 78 -8.574 20.044 -5.153 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.431 22.770 -4.384 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -7.441 23.005 -6.674 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -8.891 22.294 -7.354 1.00 0.00 H new ATOM 1040 N GLY A 79 -10.578 21.137 -3.960 1.00 0.00 N ATOM 1041 CA GLY A 79 -11.960 20.770 -3.688 1.00 0.00 C ATOM 1042 C GLY A 79 -12.472 19.687 -4.624 1.00 0.00 C ATOM 1043 O GLY A 79 -13.592 19.199 -4.475 1.00 0.00 O ATOM 0 H GLY A 79 -9.908 20.814 -3.262 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -12.044 20.424 -2.658 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -12.592 21.653 -3.780 1.00 0.00 H new ATOM 1047 N GLN A 80 -11.639 19.298 -5.577 1.00 0.00 N ATOM 1048 CA GLN A 80 -12.000 18.279 -6.551 1.00 0.00 C ATOM 1049 C GLN A 80 -11.118 17.052 -6.393 1.00 0.00 C ATOM 1050 O GLN A 80 -10.056 17.117 -5.766 1.00 0.00 O ATOM 1051 CB GLN A 80 -11.860 18.823 -7.972 1.00 0.00 C ATOM 1052 CG GLN A 80 -10.464 19.323 -8.301 1.00 0.00 C ATOM 1053 CD GLN A 80 -10.207 19.396 -9.793 1.00 0.00 C ATOM 1054 OE1 GLN A 80 -10.742 18.603 -10.567 1.00 0.00 O ATOM 1055 NE2 GLN A 80 -9.390 20.346 -10.211 1.00 0.00 N ATOM 0 H GLN A 80 -10.700 19.677 -5.697 1.00 0.00 H new ATOM 0 HA GLN A 80 -13.038 17.998 -6.374 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -12.132 18.040 -8.680 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -12.570 19.638 -8.111 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -10.324 20.311 -7.863 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -9.728 18.663 -7.841 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -8.965 20.985 -9.539 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -9.184 20.440 -11.206 1.00 0.00 H new ATOM 1062 N TYR A 81 -11.556 15.944 -6.975 1.00 0.00 N ATOM 1063 CA TYR A 81 -10.816 14.694 -6.909 1.00 0.00 C ATOM 1064 C TYR A 81 -10.108 14.432 -8.231 1.00 0.00 C ATOM 1065 O TYR A 81 -10.391 15.093 -9.230 1.00 0.00 O ATOM 1066 CB TYR A 81 -11.750 13.525 -6.564 1.00 0.00 C ATOM 1067 CG TYR A 81 -12.864 13.308 -7.565 1.00 0.00 C ATOM 1068 CD1 TYR A 81 -12.625 12.660 -8.768 1.00 0.00 C ATOM 1069 CD2 TYR A 81 -14.151 13.754 -7.305 1.00 0.00 C ATOM 1070 CE1 TYR A 81 -13.633 12.461 -9.685 1.00 0.00 C ATOM 1071 CE2 TYR A 81 -15.169 13.557 -8.219 1.00 0.00 C ATOM 1072 CZ TYR A 81 -14.903 12.914 -9.408 1.00 0.00 C ATOM 1073 OH TYR A 81 -15.912 12.718 -10.324 1.00 0.00 O ATOM 0 H TYR A 81 -12.427 15.887 -7.502 1.00 0.00 H new ATOM 0 HA TYR A 81 -10.069 14.778 -6.120 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -11.159 12.612 -6.490 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -12.188 13.702 -5.582 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.629 12.305 -8.990 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -14.361 14.262 -6.375 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -13.428 11.953 -10.616 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -16.168 13.905 -8.002 1.00 0.00 H new ATOM 0 HH TYR A 81 -16.747 13.095 -9.977 1.00 0.00 H new ATOM 1082 N HIS A 82 -9.189 13.476 -8.230 1.00 0.00 N ATOM 1083 CA HIS A 82 -8.437 13.117 -9.427 1.00 0.00 C ATOM 1084 C HIS A 82 -7.862 11.715 -9.292 1.00 0.00 C ATOM 1085 O HIS A 82 -7.217 11.392 -8.293 1.00 0.00 O ATOM 1086 CB HIS A 82 -7.306 14.121 -9.681 1.00 0.00 C ATOM 1087 CG HIS A 82 -7.545 15.022 -10.856 1.00 0.00 C ATOM 1088 ND1 HIS A 82 -8.534 15.981 -10.882 1.00 0.00 N ATOM 1089 CD2 HIS A 82 -6.910 15.112 -12.049 1.00 0.00 C ATOM 1090 CE1 HIS A 82 -8.495 16.621 -12.034 1.00 0.00 C ATOM 1091 NE2 HIS A 82 -7.522 16.113 -12.759 1.00 0.00 N ATOM 0 H HIS A 82 -8.944 12.929 -7.405 1.00 0.00 H new ATOM 0 HA HIS A 82 -9.121 13.141 -10.275 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -7.169 14.732 -8.789 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -6.376 13.574 -9.838 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -9.194 16.167 -10.127 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -6.078 14.508 -12.379 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -9.151 17.426 -12.332 1.00 0.00 H new ATOM 1099 N ASP A 83 -8.130 10.879 -10.284 1.00 0.00 N ATOM 1100 CA ASP A 83 -7.630 9.508 -10.302 1.00 0.00 C ATOM 1101 C ASP A 83 -6.108 9.496 -10.376 1.00 0.00 C ATOM 1102 O ASP A 83 -5.514 10.072 -11.289 1.00 0.00 O ATOM 1103 CB ASP A 83 -8.228 8.740 -11.487 1.00 0.00 C ATOM 1104 CG ASP A 83 -7.613 7.367 -11.682 1.00 0.00 C ATOM 1105 OD1 ASP A 83 -8.041 6.409 -11.004 1.00 0.00 O ATOM 1106 OD2 ASP A 83 -6.716 7.233 -12.541 1.00 0.00 O ATOM 0 H ASP A 83 -8.696 11.127 -11.095 1.00 0.00 H new ATOM 0 HA ASP A 83 -7.934 9.016 -9.378 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -9.302 8.632 -11.336 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -8.091 9.325 -12.397 1.00 0.00 H new ATOM 1110 N SER A 84 -5.486 8.848 -9.408 1.00 0.00 N ATOM 1111 CA SER A 84 -4.039 8.764 -9.351 1.00 0.00 C ATOM 1112 C SER A 84 -3.609 7.351 -8.990 1.00 0.00 C ATOM 1113 O SER A 84 -4.450 6.486 -8.732 1.00 0.00 O ATOM 1114 CB SER A 84 -3.498 9.764 -8.331 1.00 0.00 C ATOM 1115 OG SER A 84 -4.091 9.577 -7.056 1.00 0.00 O ATOM 0 H SER A 84 -5.965 8.369 -8.645 1.00 0.00 H new ATOM 0 HA SER A 84 -3.631 9.009 -10.331 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.417 9.654 -8.250 1.00 0.00 H new ATOM 0 HB3 SER A 84 -3.690 10.779 -8.678 1.00 0.00 H new ATOM 0 HG SER A 84 -4.898 10.128 -6.987 1.00 0.00 H new ATOM 1120 N SER A 85 -2.307 7.111 -8.985 1.00 0.00 N ATOM 1121 CA SER A 85 -1.789 5.798 -8.654 1.00 0.00 C ATOM 1122 C SER A 85 -0.527 5.912 -7.818 1.00 0.00 C ATOM 1123 O SER A 85 0.108 6.963 -7.774 1.00 0.00 O ATOM 1124 CB SER A 85 -1.473 5.011 -9.919 1.00 0.00 C ATOM 1125 OG SER A 85 -2.165 5.537 -11.038 1.00 0.00 O ATOM 0 H SER A 85 -1.594 7.807 -9.206 1.00 0.00 H new ATOM 0 HA SER A 85 -2.556 5.276 -8.082 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.400 5.037 -10.107 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.747 3.966 -9.778 1.00 0.00 H new ATOM 0 HG SER A 85 -1.942 5.014 -11.836 1.00 0.00 H new ATOM 1130 N MET A 86 -0.179 4.822 -7.163 1.00 0.00 N ATOM 1131 CA MET A 86 1.008 4.764 -6.335 1.00 0.00 C ATOM 1132 C MET A 86 1.570 3.350 -6.352 1.00 0.00 C ATOM 1133 O MET A 86 0.865 2.397 -6.029 1.00 0.00 O ATOM 1134 CB MET A 86 0.672 5.187 -4.905 1.00 0.00 C ATOM 1135 CG MET A 86 1.850 5.095 -3.952 1.00 0.00 C ATOM 1136 SD MET A 86 3.376 5.725 -4.684 1.00 0.00 S ATOM 1137 CE MET A 86 2.886 7.379 -5.171 1.00 0.00 C ATOM 0 H MET A 86 -0.711 3.952 -7.190 1.00 0.00 H new ATOM 0 HA MET A 86 1.758 5.450 -6.730 1.00 0.00 H new ATOM 0 HB2 MET A 86 0.303 6.213 -4.915 1.00 0.00 H new ATOM 0 HB3 MET A 86 -0.138 4.561 -4.530 1.00 0.00 H new ATOM 0 HG2 MET A 86 1.626 5.657 -3.045 1.00 0.00 H new ATOM 0 HG3 MET A 86 1.994 4.056 -3.655 1.00 0.00 H new ATOM 0 HE1 MET A 86 3.680 7.835 -5.762 1.00 0.00 H new ATOM 0 HE2 MET A 86 1.974 7.328 -5.767 1.00 0.00 H new ATOM 0 HE3 MET A 86 2.705 7.982 -4.281 1.00 0.00 H new ATOM 1145 N ASP A 87 2.826 3.209 -6.736 1.00 0.00 N ATOM 1146 CA ASP A 87 3.443 1.895 -6.788 1.00 0.00 C ATOM 1147 C ASP A 87 3.838 1.456 -5.385 1.00 0.00 C ATOM 1148 O ASP A 87 4.799 1.957 -4.804 1.00 0.00 O ATOM 1149 CB ASP A 87 4.659 1.889 -7.712 1.00 0.00 C ATOM 1150 CG ASP A 87 5.124 0.482 -8.029 1.00 0.00 C ATOM 1151 OD1 ASP A 87 4.264 -0.385 -8.304 1.00 0.00 O ATOM 1152 OD2 ASP A 87 6.346 0.239 -8.031 1.00 0.00 O ATOM 0 H ASP A 87 3.434 3.979 -7.014 1.00 0.00 H new ATOM 0 HA ASP A 87 2.717 1.190 -7.194 1.00 0.00 H new ATOM 0 HB2 ASP A 87 4.413 2.407 -8.639 1.00 0.00 H new ATOM 0 HB3 ASP A 87 5.473 2.443 -7.244 1.00 0.00 H new ATOM 1156 N LEU A 88 3.083 0.511 -4.854 1.00 0.00 N ATOM 1157 CA LEU A 88 3.306 -0.006 -3.509 1.00 0.00 C ATOM 1158 C LEU A 88 4.495 -0.948 -3.486 1.00 0.00 C ATOM 1159 O LEU A 88 4.942 -1.372 -2.423 1.00 0.00 O ATOM 1160 CB LEU A 88 2.063 -0.743 -3.012 1.00 0.00 C ATOM 1161 CG LEU A 88 0.726 -0.064 -3.317 1.00 0.00 C ATOM 1162 CD1 LEU A 88 -0.418 -0.864 -2.711 1.00 0.00 C ATOM 1163 CD2 LEU A 88 0.719 1.363 -2.788 1.00 0.00 C ATOM 0 H LEU A 88 2.298 0.078 -5.340 1.00 0.00 H new ATOM 0 HA LEU A 88 3.512 0.839 -2.852 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.053 -1.740 -3.453 1.00 0.00 H new ATOM 0 HB3 LEU A 88 2.146 -0.873 -1.933 1.00 0.00 H new ATOM 0 HG LEU A 88 0.592 -0.028 -4.398 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.365 -0.372 -2.934 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.423 -1.869 -3.133 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.287 -0.925 -1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.240 1.830 -3.014 1.00 0.00 H new ATOM 0 HD22 LEU A 88 0.872 1.352 -1.709 1.00 0.00 H new ATOM 0 HD23 LEU A 88 1.520 1.931 -3.262 1.00 0.00 H new ATOM 1174 N ASN A 89 4.983 -1.288 -4.668 1.00 0.00 N ATOM 1175 CA ASN A 89 6.130 -2.178 -4.808 1.00 0.00 C ATOM 1176 C ASN A 89 7.305 -1.701 -3.947 1.00 0.00 C ATOM 1177 O ASN A 89 8.120 -2.507 -3.499 1.00 0.00 O ATOM 1178 CB ASN A 89 6.534 -2.266 -6.284 1.00 0.00 C ATOM 1179 CG ASN A 89 7.724 -3.170 -6.532 1.00 0.00 C ATOM 1180 OD1 ASN A 89 8.869 -2.720 -6.527 1.00 0.00 O ATOM 1181 ND2 ASN A 89 7.462 -4.449 -6.773 1.00 0.00 N ATOM 0 H ASN A 89 4.600 -0.959 -5.554 1.00 0.00 H new ATOM 0 HA ASN A 89 5.850 -3.171 -4.457 1.00 0.00 H new ATOM 0 HB2 ASN A 89 5.685 -2.629 -6.864 1.00 0.00 H new ATOM 0 HB3 ASN A 89 6.765 -1.265 -6.649 1.00 0.00 H new ATOM 0 HD21 ASN A 89 8.225 -5.099 -6.963 1.00 0.00 H new ATOM 0 HD22 ASN A 89 6.498 -4.782 -6.768 1.00 0.00 H new ATOM 1187 N TYR A 90 7.366 -0.397 -3.677 1.00 0.00 N ATOM 1188 CA TYR A 90 8.437 0.151 -2.860 1.00 0.00 C ATOM 1189 C TYR A 90 7.895 0.766 -1.571 1.00 0.00 C ATOM 1190 O TYR A 90 8.567 1.573 -0.926 1.00 0.00 O ATOM 1191 CB TYR A 90 9.275 1.170 -3.648 1.00 0.00 C ATOM 1192 CG TYR A 90 8.500 2.325 -4.263 1.00 0.00 C ATOM 1193 CD1 TYR A 90 8.229 3.479 -3.536 1.00 0.00 C ATOM 1194 CD2 TYR A 90 8.064 2.268 -5.582 1.00 0.00 C ATOM 1195 CE1 TYR A 90 7.545 4.537 -4.105 1.00 0.00 C ATOM 1196 CE2 TYR A 90 7.380 3.321 -6.155 1.00 0.00 C ATOM 1197 CZ TYR A 90 7.122 4.453 -5.415 1.00 0.00 C ATOM 1198 OH TYR A 90 6.443 5.504 -5.992 1.00 0.00 O ATOM 0 H TYR A 90 6.691 0.291 -4.011 1.00 0.00 H new ATOM 0 HA TYR A 90 9.092 -0.675 -2.583 1.00 0.00 H new ATOM 0 HB2 TYR A 90 10.035 1.580 -2.983 1.00 0.00 H new ATOM 0 HB3 TYR A 90 9.799 0.643 -4.445 1.00 0.00 H new ATOM 0 HD1 TYR A 90 8.558 3.550 -2.510 1.00 0.00 H new ATOM 0 HD2 TYR A 90 8.264 1.384 -6.169 1.00 0.00 H new ATOM 0 HE1 TYR A 90 7.343 5.426 -3.526 1.00 0.00 H new ATOM 0 HE2 TYR A 90 7.048 3.257 -7.181 1.00 0.00 H new ATOM 0 HH TYR A 90 5.544 5.564 -5.606 1.00 0.00 H new ATOM 1207 N VAL A 91 6.677 0.382 -1.194 1.00 0.00 N ATOM 1208 CA VAL A 91 6.069 0.894 0.030 1.00 0.00 C ATOM 1209 C VAL A 91 5.606 -0.258 0.923 1.00 0.00 C ATOM 1210 O VAL A 91 5.230 -0.056 2.079 1.00 0.00 O ATOM 1211 CB VAL A 91 4.899 1.875 -0.247 1.00 0.00 C ATOM 1212 CG1 VAL A 91 5.208 2.763 -1.428 1.00 0.00 C ATOM 1213 CG2 VAL A 91 3.569 1.180 -0.444 1.00 0.00 C ATOM 0 H VAL A 91 6.097 -0.276 -1.714 1.00 0.00 H new ATOM 0 HA VAL A 91 6.839 1.462 0.551 1.00 0.00 H new ATOM 0 HB VAL A 91 4.801 2.489 0.648 1.00 0.00 H new ATOM 0 HG11 VAL A 91 4.373 3.441 -1.602 1.00 0.00 H new ATOM 0 HG12 VAL A 91 6.109 3.342 -1.222 1.00 0.00 H new ATOM 0 HG13 VAL A 91 5.366 2.148 -2.314 1.00 0.00 H new ATOM 0 HG21 VAL A 91 2.795 1.923 -0.633 1.00 0.00 H new ATOM 0 HG22 VAL A 91 3.636 0.501 -1.294 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.317 0.615 0.453 1.00 0.00 H new ATOM 1223 N VAL A 92 5.648 -1.471 0.381 1.00 0.00 N ATOM 1224 CA VAL A 92 5.250 -2.660 1.122 1.00 0.00 C ATOM 1225 C VAL A 92 5.958 -3.900 0.582 1.00 0.00 C ATOM 1226 O VAL A 92 6.147 -4.041 -0.630 1.00 0.00 O ATOM 1227 CB VAL A 92 3.714 -2.866 1.093 1.00 0.00 C ATOM 1228 CG1 VAL A 92 3.181 -2.892 -0.326 1.00 0.00 C ATOM 1229 CG2 VAL A 92 3.307 -4.128 1.844 1.00 0.00 C ATOM 0 H VAL A 92 5.956 -1.655 -0.574 1.00 0.00 H new ATOM 0 HA VAL A 92 5.549 -2.508 2.159 1.00 0.00 H new ATOM 0 HB VAL A 92 3.268 -2.012 1.602 1.00 0.00 H new ATOM 0 HG11 VAL A 92 2.101 -3.038 -0.306 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.410 -1.947 -0.818 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.648 -3.710 -0.875 1.00 0.00 H new ATOM 0 HG21 VAL A 92 2.224 -4.242 1.804 1.00 0.00 H new ATOM 0 HG22 VAL A 92 3.780 -4.995 1.383 1.00 0.00 H new ATOM 0 HG23 VAL A 92 3.625 -4.051 2.884 1.00 0.00 H new ATOM 1239 N GLY A 93 6.378 -4.777 1.487 1.00 0.00 N ATOM 1240 CA GLY A 93 7.053 -5.995 1.093 1.00 0.00 C ATOM 1241 C GLY A 93 6.519 -7.207 1.825 1.00 0.00 C ATOM 1242 O GLY A 93 5.645 -7.087 2.687 1.00 0.00 O ATOM 0 H GLY A 93 6.261 -4.663 2.494 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.937 -6.141 0.019 1.00 0.00 H new ATOM 0 HA3 GLY A 93 8.121 -5.896 1.288 1.00 0.00 H new ATOM 1246 N ASN A 94 7.035 -8.374 1.476 1.00 0.00 N ATOM 1247 CA ASN A 94 6.608 -9.615 2.110 1.00 0.00 C ATOM 1248 C ASN A 94 7.778 -10.276 2.812 1.00 0.00 C ATOM 1249 O ASN A 94 8.803 -10.574 2.195 1.00 0.00 O ATOM 1250 CB ASN A 94 6.009 -10.589 1.093 1.00 0.00 C ATOM 1251 CG ASN A 94 5.665 -11.934 1.721 1.00 0.00 C ATOM 1252 OD1 ASN A 94 5.286 -12.016 2.889 1.00 0.00 O ATOM 1253 ND2 ASN A 94 5.807 -13.000 0.950 1.00 0.00 N ATOM 0 H ASN A 94 7.750 -8.490 0.758 1.00 0.00 H new ATOM 0 HA ASN A 94 5.838 -9.362 2.838 1.00 0.00 H new ATOM 0 HB2 ASN A 94 5.110 -10.152 0.659 1.00 0.00 H new ATOM 0 HB3 ASN A 94 6.716 -10.741 0.277 1.00 0.00 H new ATOM 0 HD21 ASN A 94 5.600 -13.928 1.320 1.00 0.00 H new ATOM 0 HD22 ASN A 94 6.123 -12.894 -0.014 1.00 0.00 H new ATOM 1259 N SER A 95 7.615 -10.517 4.097 1.00 0.00 N ATOM 1260 CA SER A 95 8.646 -11.144 4.887 1.00 0.00 C ATOM 1261 C SER A 95 8.106 -12.382 5.578 1.00 0.00 C ATOM 1262 O SER A 95 7.428 -12.286 6.604 1.00 0.00 O ATOM 1263 CB SER A 95 9.183 -10.161 5.916 1.00 0.00 C ATOM 1264 OG SER A 95 9.915 -9.119 5.291 1.00 0.00 O ATOM 0 H SER A 95 6.769 -10.284 4.617 1.00 0.00 H new ATOM 0 HA SER A 95 9.459 -11.444 4.225 1.00 0.00 H new ATOM 0 HB2 SER A 95 8.356 -9.738 6.486 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.823 -10.685 6.625 1.00 0.00 H new ATOM 0 HG SER A 95 10.248 -8.499 5.973 1.00 0.00 H new ATOM 1269 N TYR A 96 8.400 -13.538 4.995 1.00 0.00 N ATOM 1270 CA TYR A 96 7.967 -14.819 5.536 1.00 0.00 C ATOM 1271 C TYR A 96 6.449 -14.905 5.597 1.00 0.00 C ATOM 1272 O TYR A 96 5.877 -15.252 6.631 1.00 0.00 O ATOM 1273 CB TYR A 96 8.581 -15.053 6.918 1.00 0.00 C ATOM 1274 CG TYR A 96 10.087 -15.166 6.884 1.00 0.00 C ATOM 1275 CD1 TYR A 96 10.702 -16.396 6.705 1.00 0.00 C ATOM 1276 CD2 TYR A 96 10.891 -14.040 7.007 1.00 0.00 C ATOM 1277 CE1 TYR A 96 12.077 -16.505 6.651 1.00 0.00 C ATOM 1278 CE2 TYR A 96 12.267 -14.140 6.958 1.00 0.00 C ATOM 1279 CZ TYR A 96 12.855 -15.373 6.777 1.00 0.00 C ATOM 1280 OH TYR A 96 14.222 -15.476 6.713 1.00 0.00 O ATOM 0 H TYR A 96 8.944 -13.613 4.136 1.00 0.00 H new ATOM 0 HA TYR A 96 8.317 -15.604 4.866 1.00 0.00 H new ATOM 0 HB2 TYR A 96 8.299 -14.233 7.578 1.00 0.00 H new ATOM 0 HB3 TYR A 96 8.163 -15.965 7.345 1.00 0.00 H new ATOM 0 HD1 TYR A 96 10.095 -17.284 6.606 1.00 0.00 H new ATOM 0 HD2 TYR A 96 10.433 -13.072 7.143 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.541 -17.470 6.511 1.00 0.00 H new ATOM 0 HE2 TYR A 96 12.879 -13.256 7.061 1.00 0.00 H new ATOM 0 HH TYR A 96 14.622 -14.588 6.818 1.00 0.00 H new ATOM 1289 N GLY A 97 5.812 -14.600 4.468 1.00 0.00 N ATOM 1290 CA GLY A 97 4.364 -14.641 4.375 1.00 0.00 C ATOM 1291 C GLY A 97 3.681 -13.761 5.401 1.00 0.00 C ATOM 1292 O GLY A 97 2.554 -14.041 5.810 1.00 0.00 O ATOM 0 H GLY A 97 6.282 -14.322 3.606 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.060 -14.328 3.376 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.026 -15.669 4.503 1.00 0.00 H new ATOM 1296 N TYR A 98 4.354 -12.702 5.825 1.00 0.00 N ATOM 1297 CA TYR A 98 3.787 -11.809 6.811 1.00 0.00 C ATOM 1298 C TYR A 98 3.910 -10.364 6.353 1.00 0.00 C ATOM 1299 O TYR A 98 4.913 -9.973 5.750 1.00 0.00 O ATOM 1300 CB TYR A 98 4.475 -12.011 8.161 1.00 0.00 C ATOM 1301 CG TYR A 98 3.641 -11.539 9.327 1.00 0.00 C ATOM 1302 CD1 TYR A 98 2.468 -12.199 9.675 1.00 0.00 C ATOM 1303 CD2 TYR A 98 4.020 -10.437 10.081 1.00 0.00 C ATOM 1304 CE1 TYR A 98 1.698 -11.773 10.738 1.00 0.00 C ATOM 1305 CE2 TYR A 98 3.254 -10.006 11.146 1.00 0.00 C ATOM 1306 CZ TYR A 98 2.096 -10.677 11.468 1.00 0.00 C ATOM 1307 OH TYR A 98 1.330 -10.247 12.523 1.00 0.00 O ATOM 0 H TYR A 98 5.287 -12.445 5.502 1.00 0.00 H new ATOM 0 HA TYR A 98 2.728 -12.039 6.926 1.00 0.00 H new ATOM 0 HB2 TYR A 98 4.704 -13.069 8.291 1.00 0.00 H new ATOM 0 HB3 TYR A 98 5.425 -11.477 8.162 1.00 0.00 H new ATOM 0 HD1 TYR A 98 2.154 -13.060 9.104 1.00 0.00 H new ATOM 0 HD2 TYR A 98 4.928 -9.908 9.831 1.00 0.00 H new ATOM 0 HE1 TYR A 98 0.789 -12.297 10.995 1.00 0.00 H new ATOM 0 HE2 TYR A 98 3.562 -9.147 11.723 1.00 0.00 H new ATOM 0 HH TYR A 98 1.750 -9.463 12.934 1.00 0.00 H new ATOM 1316 N MET A 99 2.865 -9.594 6.634 1.00 0.00 N ATOM 1317 CA MET A 99 2.795 -8.183 6.265 1.00 0.00 C ATOM 1318 C MET A 99 3.984 -7.384 6.796 1.00 0.00 C ATOM 1319 O MET A 99 4.179 -7.268 8.005 1.00 0.00 O ATOM 1320 CB MET A 99 1.489 -7.568 6.788 1.00 0.00 C ATOM 1321 CG MET A 99 1.283 -7.742 8.288 1.00 0.00 C ATOM 1322 SD MET A 99 -0.182 -6.889 8.906 1.00 0.00 S ATOM 1323 CE MET A 99 0.261 -5.181 8.597 1.00 0.00 C ATOM 0 H MET A 99 2.038 -9.932 7.127 1.00 0.00 H new ATOM 0 HA MET A 99 2.823 -8.133 5.176 1.00 0.00 H new ATOM 0 HB2 MET A 99 1.479 -6.504 6.551 1.00 0.00 H new ATOM 0 HB3 MET A 99 0.649 -8.020 6.261 1.00 0.00 H new ATOM 0 HG2 MET A 99 1.201 -8.805 8.516 1.00 0.00 H new ATOM 0 HG3 MET A 99 2.162 -7.370 8.815 1.00 0.00 H new ATOM 0 HE1 MET A 99 0.100 -4.594 9.501 1.00 0.00 H new ATOM 0 HE2 MET A 99 1.311 -5.124 8.309 1.00 0.00 H new ATOM 0 HE3 MET A 99 -0.358 -4.784 7.792 1.00 0.00 H new ATOM 1331 N GLU A 100 4.775 -6.844 5.877 1.00 0.00 N ATOM 1332 CA GLU A 100 5.932 -6.027 6.224 1.00 0.00 C ATOM 1333 C GLU A 100 6.062 -4.859 5.248 1.00 0.00 C ATOM 1334 O GLU A 100 6.902 -4.871 4.348 1.00 0.00 O ATOM 1335 CB GLU A 100 7.211 -6.867 6.231 1.00 0.00 C ATOM 1336 CG GLU A 100 7.492 -7.542 7.565 1.00 0.00 C ATOM 1337 CD GLU A 100 7.900 -6.555 8.639 1.00 0.00 C ATOM 1338 OE1 GLU A 100 9.107 -6.249 8.739 1.00 0.00 O ATOM 1339 OE2 GLU A 100 7.026 -6.086 9.393 1.00 0.00 O ATOM 0 H GLU A 100 4.634 -6.959 4.873 1.00 0.00 H new ATOM 0 HA GLU A 100 5.785 -5.630 7.229 1.00 0.00 H new ATOM 0 HB2 GLU A 100 7.138 -7.630 5.456 1.00 0.00 H new ATOM 0 HB3 GLU A 100 8.056 -6.229 5.972 1.00 0.00 H new ATOM 0 HG2 GLU A 100 6.602 -8.081 7.890 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.283 -8.281 7.435 1.00 0.00 H new ATOM 1344 N PRO A 101 5.207 -3.841 5.406 1.00 0.00 N ATOM 1345 CA PRO A 101 5.218 -2.658 4.546 1.00 0.00 C ATOM 1346 C PRO A 101 6.372 -1.718 4.876 1.00 0.00 C ATOM 1347 O PRO A 101 6.410 -1.113 5.948 1.00 0.00 O ATOM 1348 CB PRO A 101 3.875 -1.996 4.845 1.00 0.00 C ATOM 1349 CG PRO A 101 3.544 -2.410 6.237 1.00 0.00 C ATOM 1350 CD PRO A 101 4.164 -3.764 6.445 1.00 0.00 C ATOM 0 HA PRO A 101 5.355 -2.912 3.495 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.942 -0.911 4.761 1.00 0.00 H new ATOM 0 HB3 PRO A 101 3.108 -2.323 4.143 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.934 -1.691 6.957 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.464 -2.452 6.382 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.588 -3.860 7.444 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.429 -4.561 6.333 1.00 0.00 H new ATOM 1355 N CYS A 102 7.311 -1.605 3.955 1.00 0.00 N ATOM 1356 CA CYS A 102 8.466 -0.751 4.149 1.00 0.00 C ATOM 1357 C CYS A 102 8.662 0.195 2.972 1.00 0.00 C ATOM 1358 O CYS A 102 8.636 -0.217 1.816 1.00 0.00 O ATOM 1359 CB CYS A 102 9.716 -1.602 4.366 1.00 0.00 C ATOM 1360 SG CYS A 102 9.744 -3.155 3.401 1.00 0.00 S ATOM 0 H CYS A 102 7.295 -2.097 3.062 1.00 0.00 H new ATOM 0 HA CYS A 102 8.292 -0.142 5.036 1.00 0.00 H new ATOM 0 HB2 CYS A 102 10.594 -1.010 4.106 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.797 -1.845 5.426 1.00 0.00 H new