USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 970 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 10 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00475) USER MOD Set 1.2: A 113 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 95 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 98 ASN : amide:sc= -2.6 K(o=-2.6,f=-5.6!) USER MOD Set 3.1: A 81 THR OG1 : rot 127:sc= 0.0735 USER MOD Set 3.2: A 83 THR OG1 : rot 180:sc= 1.21 USER MOD Set 3.3: A 86 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 17 TYR OH : rot -49:sc= 0.365 USER MOD Set 4.2: A 75 HIS : no HD1:sc= 0.578 K(o=0.94,f=-3.7!) USER MOD Set 5.1: A 18 THR OG1 : rot 180:sc= 0.866 USER MOD Set 5.2: A 84 MET CE :methyl 177:sc= -0.0158 (180deg=-0.0332) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -54:sc= 0.641 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl -163:sc= -0.013 (180deg=-0.258) USER MOD Single : A 14 MET CE :methyl -175:sc=-0.00136 (180deg=-0.0771) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.062 K(o=0.062,f=-5.5!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -4.08! K(o=-4.1!,f=-1.6) USER MOD Single : A 28 TYR OH : rot -70:sc= 1.26 USER MOD Single : A 33 SER OG : rot -1:sc= 0.98 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.047 K(o=-0.047,f=-2.6!) USER MOD Single : A 41 ASN : amide:sc= -0.0044 X(o=-0.0044,f=-0.0044) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -41:sc= 0.0968 USER MOD Single : A 67 ASN : amide:sc= 0.718 K(o=0.72,f=-4.3!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= 0.713 K(o=0.71,f=-4.1!) USER MOD Single : A 76 CYS SG : rot -9:sc= 0.0348 USER MOD Single : A 91 ASN : amide:sc= -1.06 K(o=-1.1,f=-2.7!) USER MOD Single : A 92 ASN : amide:sc= -2.21 K(o=-2.2,f=-9.4!) USER MOD Single : A 96 SER OG : rot 180:sc= -0.767 USER MOD Single : A 97 HIS : no HD1:sc= -0.262 X(o=-0.26,f=-0.045) USER MOD Single : A 104 THR OG1 : rot -59:sc= 0.44 USER MOD Single : A 112 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 116 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00167) USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 124 SER OG : rot -66:sc= 1.3 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 128 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.703 6.088 10.513 1.00 0.00 N ATOM 2 CA GLY A 1 -22.969 5.482 10.880 1.00 0.00 C ATOM 3 C GLY A 1 -22.972 3.979 10.680 1.00 0.00 C ATOM 4 O GLY A 1 -23.151 3.220 11.632 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.752 7.115 10.668 1.00 0.00 H new ATOM 0 H2 GLY A 1 -20.943 5.686 11.098 1.00 0.00 H new ATOM 0 H3 GLY A 1 -21.505 5.898 9.510 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -23.187 5.707 11.924 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -23.767 5.926 10.285 1.00 0.00 H new ATOM 8 N SER A 2 -22.774 3.548 9.438 1.00 0.00 N ATOM 9 CA SER A 2 -22.760 2.126 9.116 1.00 0.00 C ATOM 10 C SER A 2 -21.395 1.704 8.579 1.00 0.00 C ATOM 11 O SER A 2 -20.784 0.760 9.080 1.00 0.00 O ATOM 12 CB SER A 2 -23.846 1.804 8.088 1.00 0.00 C ATOM 13 OG SER A 2 -25.137 1.883 8.668 1.00 0.00 O ATOM 0 H SER A 2 -22.621 4.163 8.639 1.00 0.00 H new ATOM 0 HA SER A 2 -22.959 1.569 10.032 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.777 2.499 7.251 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.685 0.804 7.686 1.00 0.00 H new ATOM 0 HG SER A 2 -25.813 1.675 7.990 1.00 0.00 H new ATOM 19 N SER A 3 -20.923 2.412 7.558 1.00 0.00 N ATOM 20 CA SER A 3 -19.633 2.110 6.950 1.00 0.00 C ATOM 21 C SER A 3 -18.536 2.995 7.534 1.00 0.00 C ATOM 22 O SER A 3 -18.734 4.190 7.745 1.00 0.00 O ATOM 23 CB SER A 3 -19.703 2.299 5.433 1.00 0.00 C ATOM 24 OG SER A 3 -18.648 1.611 4.784 1.00 0.00 O ATOM 0 H SER A 3 -21.415 3.199 7.135 1.00 0.00 H new ATOM 0 HA SER A 3 -19.391 1.070 7.169 1.00 0.00 H new ATOM 0 HB2 SER A 3 -20.661 1.935 5.062 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.651 3.361 5.193 1.00 0.00 H new ATOM 0 HG SER A 3 -18.716 1.746 3.816 1.00 0.00 H new ATOM 30 N GLY A 4 -17.378 2.397 7.795 1.00 0.00 N ATOM 31 CA GLY A 4 -16.266 3.144 8.353 1.00 0.00 C ATOM 32 C GLY A 4 -15.766 4.226 7.416 1.00 0.00 C ATOM 33 O GLY A 4 -15.858 5.414 7.723 1.00 0.00 O ATOM 0 H GLY A 4 -17.190 1.408 7.630 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.573 3.597 9.295 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.449 2.459 8.580 1.00 0.00 H new ATOM 37 N SER A 5 -15.234 3.814 6.270 1.00 0.00 N ATOM 38 CA SER A 5 -14.712 4.757 5.287 1.00 0.00 C ATOM 39 C SER A 5 -13.847 5.819 5.959 1.00 0.00 C ATOM 40 O SER A 5 -13.875 6.989 5.578 1.00 0.00 O ATOM 41 CB SER A 5 -15.861 5.423 4.528 1.00 0.00 C ATOM 42 OG SER A 5 -15.374 6.229 3.469 1.00 0.00 O ATOM 0 H SER A 5 -15.153 2.834 5.999 1.00 0.00 H new ATOM 0 HA SER A 5 -14.093 4.203 4.581 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.529 4.659 4.130 1.00 0.00 H new ATOM 0 HB3 SER A 5 -16.448 6.034 5.214 1.00 0.00 H new ATOM 0 HG SER A 5 -14.715 6.865 3.818 1.00 0.00 H new ATOM 48 N SER A 6 -13.079 5.402 6.960 1.00 0.00 N ATOM 49 CA SER A 6 -12.209 6.317 7.688 1.00 0.00 C ATOM 50 C SER A 6 -10.883 5.646 8.034 1.00 0.00 C ATOM 51 O SER A 6 -10.830 4.443 8.286 1.00 0.00 O ATOM 52 CB SER A 6 -12.897 6.800 8.967 1.00 0.00 C ATOM 53 OG SER A 6 -12.194 7.886 9.545 1.00 0.00 O ATOM 0 H SER A 6 -13.042 4.436 7.285 1.00 0.00 H new ATOM 0 HA SER A 6 -12.007 7.174 7.046 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.919 7.103 8.741 1.00 0.00 H new ATOM 0 HB3 SER A 6 -12.958 5.980 9.683 1.00 0.00 H new ATOM 0 HG SER A 6 -12.654 8.177 10.360 1.00 0.00 H new ATOM 59 N GLY A 7 -9.812 6.434 8.042 1.00 0.00 N ATOM 60 CA GLY A 7 -8.500 5.901 8.357 1.00 0.00 C ATOM 61 C GLY A 7 -7.426 6.970 8.367 1.00 0.00 C ATOM 62 O GLY A 7 -7.349 7.790 7.453 1.00 0.00 O ATOM 0 H GLY A 7 -9.830 7.433 7.836 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.533 5.415 9.332 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.238 5.134 7.628 1.00 0.00 H new ATOM 66 N MET A 8 -6.595 6.963 9.404 1.00 0.00 N ATOM 67 CA MET A 8 -5.521 7.941 9.529 1.00 0.00 C ATOM 68 C MET A 8 -4.169 7.248 9.673 1.00 0.00 C ATOM 69 O MET A 8 -3.141 7.776 9.248 1.00 0.00 O ATOM 70 CB MET A 8 -5.769 8.853 10.732 1.00 0.00 C ATOM 71 CG MET A 8 -6.327 8.123 11.943 1.00 0.00 C ATOM 72 SD MET A 8 -8.084 7.751 11.781 1.00 0.00 S ATOM 73 CE MET A 8 -8.798 9.375 12.028 1.00 0.00 C ATOM 0 H MET A 8 -6.645 6.291 10.170 1.00 0.00 H new ATOM 0 HA MET A 8 -5.506 8.545 8.622 1.00 0.00 H new ATOM 0 HB2 MET A 8 -4.833 9.337 11.010 1.00 0.00 H new ATOM 0 HB3 MET A 8 -6.463 9.642 10.442 1.00 0.00 H new ATOM 0 HG2 MET A 8 -5.775 7.195 12.089 1.00 0.00 H new ATOM 0 HG3 MET A 8 -6.169 8.731 12.834 1.00 0.00 H new ATOM 0 HE1 MET A 8 -9.859 9.275 12.258 1.00 0.00 H new ATOM 0 HE2 MET A 8 -8.293 9.873 12.856 1.00 0.00 H new ATOM 0 HE3 MET A 8 -8.678 9.967 11.121 1.00 0.00 H new ATOM 83 N VAL A 9 -4.178 6.063 10.274 1.00 0.00 N ATOM 84 CA VAL A 9 -2.953 5.297 10.472 1.00 0.00 C ATOM 85 C VAL A 9 -3.188 3.811 10.229 1.00 0.00 C ATOM 86 O VAL A 9 -3.829 3.132 11.032 1.00 0.00 O ATOM 87 CB VAL A 9 -2.394 5.491 11.895 1.00 0.00 C ATOM 88 CG1 VAL A 9 -1.869 6.908 12.073 1.00 0.00 C ATOM 89 CG2 VAL A 9 -3.459 5.174 12.933 1.00 0.00 C ATOM 0 H VAL A 9 -5.020 5.612 10.632 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.227 5.670 9.750 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.563 4.800 12.038 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -1.478 7.027 13.084 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.073 7.094 11.352 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.679 7.619 11.911 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.047 5.316 13.932 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.312 5.839 12.794 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -3.783 4.140 12.818 1.00 0.00 H new ATOM 99 N LYS A 10 -2.664 3.309 9.116 1.00 0.00 N ATOM 100 CA LYS A 10 -2.815 1.902 8.766 1.00 0.00 C ATOM 101 C LYS A 10 -1.454 1.245 8.555 1.00 0.00 C ATOM 102 O LYS A 10 -0.491 1.904 8.166 1.00 0.00 O ATOM 103 CB LYS A 10 -3.664 1.758 7.500 1.00 0.00 C ATOM 104 CG LYS A 10 -4.148 0.340 7.251 1.00 0.00 C ATOM 105 CD LYS A 10 -5.323 0.313 6.287 1.00 0.00 C ATOM 106 CE LYS A 10 -5.529 -1.074 5.698 1.00 0.00 C ATOM 107 NZ LYS A 10 -5.902 -2.070 6.741 1.00 0.00 N ATOM 0 H LYS A 10 -2.131 3.856 8.440 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.318 1.400 9.593 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.527 2.420 7.574 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.080 2.090 6.641 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.331 -0.259 6.848 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.441 -0.117 8.196 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.228 0.627 6.806 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.152 1.029 5.483 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.310 -1.034 4.939 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.615 -1.396 5.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.083 -2.991 6.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.124 -2.165 7.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.760 -1.751 7.235 1.00 0.00 H new ATOM 121 N GLU A 11 -1.384 -0.057 8.815 1.00 0.00 N ATOM 122 CA GLU A 11 -0.141 -0.802 8.652 1.00 0.00 C ATOM 123 C GLU A 11 -0.415 -2.298 8.532 1.00 0.00 C ATOM 124 O GLU A 11 -1.469 -2.782 8.941 1.00 0.00 O ATOM 125 CB GLU A 11 0.796 -0.537 9.833 1.00 0.00 C ATOM 126 CG GLU A 11 0.080 -0.451 11.171 1.00 0.00 C ATOM 127 CD GLU A 11 -0.430 -1.798 11.646 1.00 0.00 C ATOM 128 OE1 GLU A 11 -0.082 -2.819 11.017 1.00 0.00 O ATOM 129 OE2 GLU A 11 -1.176 -1.830 12.647 1.00 0.00 O ATOM 0 H GLU A 11 -2.173 -0.617 9.139 1.00 0.00 H new ATOM 0 HA GLU A 11 0.338 -0.463 7.733 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.541 -1.331 9.880 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.333 0.395 9.658 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.760 -0.040 11.917 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.757 0.242 11.087 1.00 0.00 H new ATOM 136 N GLY A 12 0.544 -3.026 7.968 1.00 0.00 N ATOM 137 CA GLY A 12 0.388 -4.459 7.803 1.00 0.00 C ATOM 138 C GLY A 12 1.356 -5.035 6.788 1.00 0.00 C ATOM 139 O GLY A 12 1.949 -4.299 6.000 1.00 0.00 O ATOM 0 H GLY A 12 1.426 -2.649 7.622 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.539 -4.951 8.764 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.633 -4.677 7.490 1.00 0.00 H new ATOM 143 N TRP A 13 1.518 -6.353 6.810 1.00 0.00 N ATOM 144 CA TRP A 13 2.423 -7.027 5.885 1.00 0.00 C ATOM 145 C TRP A 13 1.725 -7.329 4.564 1.00 0.00 C ATOM 146 O TRP A 13 0.738 -8.063 4.526 1.00 0.00 O ATOM 147 CB TRP A 13 2.948 -8.322 6.507 1.00 0.00 C ATOM 148 CG TRP A 13 3.868 -8.094 7.667 1.00 0.00 C ATOM 149 CD1 TRP A 13 3.511 -7.906 8.972 1.00 0.00 C ATOM 150 CD2 TRP A 13 5.298 -8.027 7.627 1.00 0.00 C ATOM 151 NE1 TRP A 13 4.632 -7.727 9.745 1.00 0.00 N ATOM 152 CE2 TRP A 13 5.741 -7.798 8.944 1.00 0.00 C ATOM 153 CE3 TRP A 13 6.246 -8.142 6.607 1.00 0.00 C ATOM 154 CZ2 TRP A 13 7.091 -7.679 9.265 1.00 0.00 C ATOM 155 CZ3 TRP A 13 7.586 -8.024 6.927 1.00 0.00 C ATOM 156 CH2 TRP A 13 7.998 -7.795 8.247 1.00 0.00 C ATOM 0 H TRP A 13 1.035 -6.976 7.457 1.00 0.00 H new ATOM 0 HA TRP A 13 3.263 -6.361 5.686 1.00 0.00 H new ATOM 0 HB2 TRP A 13 2.103 -8.927 6.836 1.00 0.00 H new ATOM 0 HB3 TRP A 13 3.473 -8.896 5.744 1.00 0.00 H new ATOM 0 HD1 TRP A 13 2.496 -7.899 9.342 1.00 0.00 H new ATOM 0 HE1 TRP A 13 4.638 -7.567 10.752 1.00 0.00 H new ATOM 0 HE3 TRP A 13 5.938 -8.320 5.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 7.411 -7.501 10.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 8.328 -8.110 6.147 1.00 0.00 H new ATOM 0 HH2 TRP A 13 9.052 -7.708 8.465 1.00 0.00 H new ATOM 167 N MET A 14 2.245 -6.758 3.482 1.00 0.00 N ATOM 168 CA MET A 14 1.671 -6.969 2.157 1.00 0.00 C ATOM 169 C MET A 14 2.748 -7.381 1.158 1.00 0.00 C ATOM 170 O MET A 14 3.934 -7.132 1.371 1.00 0.00 O ATOM 171 CB MET A 14 0.971 -5.698 1.674 1.00 0.00 C ATOM 172 CG MET A 14 0.182 -5.890 0.389 1.00 0.00 C ATOM 173 SD MET A 14 -1.214 -4.757 0.254 1.00 0.00 S ATOM 174 CE MET A 14 -2.511 -5.725 1.021 1.00 0.00 C ATOM 0 H MET A 14 3.061 -6.147 3.496 1.00 0.00 H new ATOM 0 HA MET A 14 0.939 -7.774 2.228 1.00 0.00 H new ATOM 0 HB2 MET A 14 0.298 -5.345 2.455 1.00 0.00 H new ATOM 0 HB3 MET A 14 1.717 -4.918 1.520 1.00 0.00 H new ATOM 0 HG2 MET A 14 0.845 -5.747 -0.464 1.00 0.00 H new ATOM 0 HG3 MET A 14 -0.182 -6.916 0.341 1.00 0.00 H new ATOM 0 HE1 MET A 14 -3.460 -5.195 0.935 1.00 0.00 H new ATOM 0 HE2 MET A 14 -2.588 -6.691 0.522 1.00 0.00 H new ATOM 0 HE3 MET A 14 -2.276 -5.879 2.074 1.00 0.00 H new ATOM 184 N VAL A 15 2.326 -8.014 0.068 1.00 0.00 N ATOM 185 CA VAL A 15 3.254 -8.461 -0.964 1.00 0.00 C ATOM 186 C VAL A 15 3.006 -7.730 -2.279 1.00 0.00 C ATOM 187 O VAL A 15 1.863 -7.433 -2.631 1.00 0.00 O ATOM 188 CB VAL A 15 3.140 -9.978 -1.203 1.00 0.00 C ATOM 189 CG1 VAL A 15 3.704 -10.749 -0.019 1.00 0.00 C ATOM 190 CG2 VAL A 15 1.693 -10.369 -1.464 1.00 0.00 C ATOM 0 H VAL A 15 1.347 -8.229 -0.123 1.00 0.00 H new ATOM 0 HA VAL A 15 4.258 -8.232 -0.608 1.00 0.00 H new ATOM 0 HB VAL A 15 3.726 -10.234 -2.085 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.615 -11.819 -0.206 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.754 -10.491 0.117 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.148 -10.490 0.882 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.631 -11.444 -1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.082 -10.100 -0.602 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.328 -9.843 -2.346 1.00 0.00 H new ATOM 200 N HIS A 16 4.083 -7.444 -3.003 1.00 0.00 N ATOM 201 CA HIS A 16 3.983 -6.749 -4.282 1.00 0.00 C ATOM 202 C HIS A 16 5.153 -7.111 -5.191 1.00 0.00 C ATOM 203 O HIS A 16 6.152 -7.671 -4.739 1.00 0.00 O ATOM 204 CB HIS A 16 3.941 -5.236 -4.062 1.00 0.00 C ATOM 205 CG HIS A 16 5.298 -4.607 -3.970 1.00 0.00 C ATOM 206 ND1 HIS A 16 6.198 -4.902 -2.968 1.00 0.00 N ATOM 207 CD2 HIS A 16 5.906 -3.696 -4.765 1.00 0.00 C ATOM 208 CE1 HIS A 16 7.301 -4.197 -3.149 1.00 0.00 C ATOM 209 NE2 HIS A 16 7.149 -3.458 -4.233 1.00 0.00 N ATOM 0 H HIS A 16 5.035 -7.683 -2.726 1.00 0.00 H new ATOM 0 HA HIS A 16 3.059 -7.064 -4.767 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.390 -4.773 -4.880 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.389 -5.025 -3.146 1.00 0.00 H new ATOM 0 HD2 HIS A 16 5.491 -3.241 -5.652 1.00 0.00 H new ATOM 0 HE1 HIS A 16 8.177 -4.221 -2.518 1.00 0.00 H new ATOM 0 HE2 HIS A 16 7.843 -2.814 -4.613 1.00 0.00 H new ATOM 218 N TYR A 17 5.022 -6.788 -6.472 1.00 0.00 N ATOM 219 CA TYR A 17 6.068 -7.083 -7.445 1.00 0.00 C ATOM 220 C TYR A 17 6.109 -6.020 -8.539 1.00 0.00 C ATOM 221 O TYR A 17 5.315 -5.079 -8.538 1.00 0.00 O ATOM 222 CB TYR A 17 5.841 -8.462 -8.067 1.00 0.00 C ATOM 223 CG TYR A 17 4.525 -8.587 -8.800 1.00 0.00 C ATOM 224 CD1 TYR A 17 4.394 -8.153 -10.113 1.00 0.00 C ATOM 225 CD2 TYR A 17 3.411 -9.140 -8.179 1.00 0.00 C ATOM 226 CE1 TYR A 17 3.193 -8.264 -10.786 1.00 0.00 C ATOM 227 CE2 TYR A 17 2.207 -9.257 -8.845 1.00 0.00 C ATOM 228 CZ TYR A 17 2.102 -8.817 -10.148 1.00 0.00 C ATOM 229 OH TYR A 17 0.904 -8.931 -10.815 1.00 0.00 O ATOM 0 H TYR A 17 4.203 -6.322 -6.862 1.00 0.00 H new ATOM 0 HA TYR A 17 7.025 -7.080 -6.924 1.00 0.00 H new ATOM 0 HB2 TYR A 17 6.655 -8.677 -8.760 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.883 -9.217 -7.282 1.00 0.00 H new ATOM 0 HD1 TYR A 17 5.246 -7.721 -10.616 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.489 -9.484 -7.158 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.108 -7.920 -11.806 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.352 -9.691 -8.348 1.00 0.00 H new ATOM 0 HH TYR A 17 0.683 -8.076 -11.239 1.00 0.00 H new ATOM 239 N THR A 18 7.042 -6.177 -9.473 1.00 0.00 N ATOM 240 CA THR A 18 7.189 -5.232 -10.573 1.00 0.00 C ATOM 241 C THR A 18 7.154 -5.946 -11.919 1.00 0.00 C ATOM 242 O THR A 18 7.077 -7.173 -11.980 1.00 0.00 O ATOM 243 CB THR A 18 8.504 -4.438 -10.460 1.00 0.00 C ATOM 244 OG1 THR A 18 9.558 -5.138 -11.131 1.00 0.00 O ATOM 245 CG2 THR A 18 8.881 -4.221 -9.002 1.00 0.00 C ATOM 0 H THR A 18 7.707 -6.950 -9.489 1.00 0.00 H new ATOM 0 HA THR A 18 6.349 -4.540 -10.510 1.00 0.00 H new ATOM 0 HB THR A 18 8.357 -3.466 -10.930 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.390 -4.626 -11.056 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.813 -3.658 -8.947 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.090 -3.663 -8.501 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.011 -5.186 -8.512 1.00 0.00 H new ATOM 253 N SER A 19 7.212 -5.171 -12.997 1.00 0.00 N ATOM 254 CA SER A 19 7.183 -5.729 -14.344 1.00 0.00 C ATOM 255 C SER A 19 8.531 -6.349 -14.703 1.00 0.00 C ATOM 256 O SER A 19 8.592 -7.425 -15.298 1.00 0.00 O ATOM 257 CB SER A 19 6.820 -4.646 -15.361 1.00 0.00 C ATOM 258 OG SER A 19 6.955 -5.126 -16.687 1.00 0.00 O ATOM 0 H SER A 19 7.279 -4.154 -12.964 1.00 0.00 H new ATOM 0 HA SER A 19 6.423 -6.510 -14.371 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.795 -4.314 -15.194 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.463 -3.778 -15.218 1.00 0.00 H new ATOM 0 HG SER A 19 6.716 -4.415 -17.318 1.00 0.00 H new ATOM 264 N ARG A 20 9.607 -5.661 -14.337 1.00 0.00 N ATOM 265 CA ARG A 20 10.954 -6.142 -14.621 1.00 0.00 C ATOM 266 C ARG A 20 11.312 -7.321 -13.721 1.00 0.00 C ATOM 267 O ARG A 20 11.806 -8.347 -14.190 1.00 0.00 O ATOM 268 CB ARG A 20 11.971 -5.016 -14.433 1.00 0.00 C ATOM 269 CG ARG A 20 13.224 -5.179 -15.278 1.00 0.00 C ATOM 270 CD ARG A 20 14.207 -6.147 -14.636 1.00 0.00 C ATOM 271 NE ARG A 20 15.248 -6.568 -15.569 1.00 0.00 N ATOM 272 CZ ARG A 20 16.233 -7.399 -15.244 1.00 0.00 C ATOM 273 NH1 ARG A 20 16.309 -7.895 -14.017 1.00 0.00 N ATOM 274 NH2 ARG A 20 17.143 -7.735 -16.149 1.00 0.00 N ATOM 0 H ARG A 20 9.573 -4.769 -13.843 1.00 0.00 H new ATOM 0 HA ARG A 20 10.981 -6.477 -15.658 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.498 -4.066 -14.680 1.00 0.00 H new ATOM 0 HB3 ARG A 20 12.256 -4.967 -13.382 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.951 -5.540 -16.270 1.00 0.00 H new ATOM 0 HG3 ARG A 20 13.702 -4.209 -15.413 1.00 0.00 H new ATOM 0 HD2 ARG A 20 14.667 -5.674 -13.768 1.00 0.00 H new ATOM 0 HD3 ARG A 20 13.669 -7.023 -14.274 1.00 0.00 H new ATOM 0 HE ARG A 20 15.218 -6.205 -16.522 1.00 0.00 H new ATOM 0 HH11 ARG A 20 15.610 -7.639 -13.319 1.00 0.00 H new ATOM 0 HH12 ARG A 20 17.066 -8.533 -13.771 1.00 0.00 H new ATOM 0 HH21 ARG A 20 17.087 -7.356 -17.094 1.00 0.00 H new ATOM 0 HH22 ARG A 20 17.899 -8.373 -15.900 1.00 0.00 H new ATOM 288 N ASP A 21 11.060 -7.167 -12.426 1.00 0.00 N ATOM 289 CA ASP A 21 11.354 -8.218 -11.459 1.00 0.00 C ATOM 290 C ASP A 21 10.072 -8.749 -10.826 1.00 0.00 C ATOM 291 O ASP A 21 9.444 -8.073 -10.012 1.00 0.00 O ATOM 292 CB ASP A 21 12.294 -7.693 -10.373 1.00 0.00 C ATOM 293 CG ASP A 21 13.717 -7.525 -10.870 1.00 0.00 C ATOM 294 OD1 ASP A 21 14.395 -8.552 -11.083 1.00 0.00 O ATOM 295 OD2 ASP A 21 14.152 -6.368 -11.045 1.00 0.00 O ATOM 0 H ASP A 21 10.653 -6.324 -12.021 1.00 0.00 H new ATOM 0 HA ASP A 21 11.843 -9.037 -11.987 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.924 -6.735 -10.009 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.287 -8.380 -9.527 1.00 0.00 H new ATOM 300 N ASN A 22 9.689 -9.964 -11.206 1.00 0.00 N ATOM 301 CA ASN A 22 8.481 -10.585 -10.676 1.00 0.00 C ATOM 302 C ASN A 22 8.680 -11.014 -9.226 1.00 0.00 C ATOM 303 O ASN A 22 7.718 -11.152 -8.470 1.00 0.00 O ATOM 304 CB ASN A 22 8.089 -11.795 -11.528 1.00 0.00 C ATOM 305 CG ASN A 22 9.183 -12.844 -11.580 1.00 0.00 C ATOM 306 OD1 ASN A 22 10.370 -12.521 -11.547 1.00 0.00 O ATOM 307 ND2 ASN A 22 8.786 -14.108 -11.663 1.00 0.00 N ATOM 0 H ASN A 22 10.198 -10.538 -11.879 1.00 0.00 H new ATOM 0 HA ASN A 22 7.679 -9.848 -10.711 1.00 0.00 H new ATOM 0 HB2 ASN A 22 7.180 -12.241 -11.124 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.859 -11.464 -12.541 1.00 0.00 H new ATOM 0 HD21 ASN A 22 9.476 -14.858 -11.702 1.00 0.00 H new ATOM 0 HD22 ASN A 22 7.791 -14.329 -11.688 1.00 0.00 H new ATOM 314 N LEU A 23 9.935 -11.223 -8.844 1.00 0.00 N ATOM 315 CA LEU A 23 10.262 -11.636 -7.483 1.00 0.00 C ATOM 316 C LEU A 23 9.453 -10.841 -6.464 1.00 0.00 C ATOM 317 O LEU A 23 9.865 -9.764 -6.033 1.00 0.00 O ATOM 318 CB LEU A 23 11.758 -11.452 -7.219 1.00 0.00 C ATOM 319 CG LEU A 23 12.232 -11.768 -5.800 1.00 0.00 C ATOM 320 CD1 LEU A 23 12.018 -13.240 -5.481 1.00 0.00 C ATOM 321 CD2 LEU A 23 13.697 -11.392 -5.632 1.00 0.00 C ATOM 0 H LEU A 23 10.743 -11.113 -9.457 1.00 0.00 H new ATOM 0 HA LEU A 23 10.008 -12.691 -7.378 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.310 -12.084 -7.914 1.00 0.00 H new ATOM 0 HB3 LEU A 23 12.023 -10.420 -7.448 1.00 0.00 H new ATOM 0 HG LEU A 23 11.642 -11.176 -5.100 1.00 0.00 H new ATOM 0 HD11 LEU A 23 12.361 -13.446 -4.467 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.958 -13.479 -5.561 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.582 -13.851 -6.186 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.018 -11.624 -4.616 1.00 0.00 H new ATOM 0 HD22 LEU A 23 14.301 -11.957 -6.341 1.00 0.00 H new ATOM 0 HD23 LEU A 23 13.822 -10.325 -5.818 1.00 0.00 H new ATOM 333 N ARG A 24 8.300 -11.380 -6.081 1.00 0.00 N ATOM 334 CA ARG A 24 7.433 -10.721 -5.111 1.00 0.00 C ATOM 335 C ARG A 24 8.183 -10.444 -3.812 1.00 0.00 C ATOM 336 O ARG A 24 9.046 -11.221 -3.402 1.00 0.00 O ATOM 337 CB ARG A 24 6.201 -11.583 -4.828 1.00 0.00 C ATOM 338 CG ARG A 24 4.993 -10.786 -4.366 1.00 0.00 C ATOM 339 CD ARG A 24 3.769 -11.674 -4.200 1.00 0.00 C ATOM 340 NE ARG A 24 3.386 -12.317 -5.454 1.00 0.00 N ATOM 341 CZ ARG A 24 3.919 -13.452 -5.890 1.00 0.00 C ATOM 342 NH1 ARG A 24 4.853 -14.067 -5.178 1.00 0.00 N ATOM 343 NH2 ARG A 24 3.518 -13.976 -7.042 1.00 0.00 N ATOM 0 H ARG A 24 7.945 -12.271 -6.427 1.00 0.00 H new ATOM 0 HA ARG A 24 7.112 -9.769 -5.535 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.938 -12.134 -5.731 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.452 -12.321 -4.066 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.220 -10.296 -3.419 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.777 -9.999 -5.088 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.974 -12.437 -3.449 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.936 -11.077 -3.829 1.00 0.00 H new ATOM 0 HE ARG A 24 2.670 -11.870 -6.026 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.164 -13.668 -4.292 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.260 -14.939 -5.516 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.800 -13.506 -7.593 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.928 -14.848 -7.376 1.00 0.00 H new ATOM 357 N LYS A 25 7.848 -9.331 -3.167 1.00 0.00 N ATOM 358 CA LYS A 25 8.488 -8.951 -1.914 1.00 0.00 C ATOM 359 C LYS A 25 7.447 -8.605 -0.854 1.00 0.00 C ATOM 360 O LYS A 25 6.478 -7.897 -1.131 1.00 0.00 O ATOM 361 CB LYS A 25 9.422 -7.758 -2.135 1.00 0.00 C ATOM 362 CG LYS A 25 10.732 -8.128 -2.809 1.00 0.00 C ATOM 363 CD LYS A 25 11.597 -6.904 -3.056 1.00 0.00 C ATOM 364 CE LYS A 25 12.996 -7.292 -3.508 1.00 0.00 C ATOM 365 NZ LYS A 25 13.079 -7.447 -4.987 1.00 0.00 N ATOM 0 H LYS A 25 7.136 -8.677 -3.492 1.00 0.00 H new ATOM 0 HA LYS A 25 9.072 -9.801 -1.561 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.908 -7.013 -2.742 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.637 -7.292 -1.173 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.275 -8.839 -2.186 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.527 -8.627 -3.756 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.130 -6.274 -3.814 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.660 -6.311 -2.143 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.706 -6.532 -3.182 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.286 -8.227 -3.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.049 -7.712 -5.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.420 -8.190 -5.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.827 -6.548 -5.445 1.00 0.00 H new ATOM 379 N ARG A 26 7.654 -9.107 0.358 1.00 0.00 N ATOM 380 CA ARG A 26 6.733 -8.851 1.459 1.00 0.00 C ATOM 381 C ARG A 26 7.366 -7.924 2.493 1.00 0.00 C ATOM 382 O ARG A 26 8.429 -8.220 3.039 1.00 0.00 O ATOM 383 CB ARG A 26 6.318 -10.165 2.123 1.00 0.00 C ATOM 384 CG ARG A 26 5.221 -10.004 3.162 1.00 0.00 C ATOM 385 CD ARG A 26 5.044 -11.269 3.986 1.00 0.00 C ATOM 386 NE ARG A 26 4.287 -12.290 3.267 1.00 0.00 N ATOM 387 CZ ARG A 26 3.770 -13.367 3.847 1.00 0.00 C ATOM 388 NH1 ARG A 26 3.927 -13.563 5.149 1.00 0.00 N ATOM 389 NH2 ARG A 26 3.094 -14.251 3.125 1.00 0.00 N ATOM 0 H ARG A 26 8.452 -9.694 0.603 1.00 0.00 H new ATOM 0 HA ARG A 26 5.848 -8.363 1.052 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.979 -10.859 1.354 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.191 -10.615 2.596 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.462 -9.170 3.821 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.282 -9.757 2.666 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.023 -11.666 4.255 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.532 -11.026 4.917 1.00 0.00 H new ATOM 0 HE ARG A 26 4.148 -12.169 2.264 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.446 -12.886 5.708 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.529 -14.391 5.592 1.00 0.00 H new ATOM 0 HH21 ARG A 26 2.971 -14.104 2.123 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.697 -15.078 3.572 1.00 0.00 H new ATOM 403 N HIS A 27 6.705 -6.801 2.757 1.00 0.00 N ATOM 404 CA HIS A 27 7.203 -5.831 3.725 1.00 0.00 C ATOM 405 C HIS A 27 6.056 -5.235 4.536 1.00 0.00 C ATOM 406 O HIS A 27 4.889 -5.358 4.163 1.00 0.00 O ATOM 407 CB HIS A 27 7.972 -4.717 3.014 1.00 0.00 C ATOM 408 CG HIS A 27 9.041 -5.221 2.093 1.00 0.00 C ATOM 409 ND1 HIS A 27 9.237 -4.721 0.823 1.00 0.00 N ATOM 410 CD2 HIS A 27 9.975 -6.186 2.264 1.00 0.00 C ATOM 411 CE1 HIS A 27 10.244 -5.357 0.252 1.00 0.00 C ATOM 412 NE2 HIS A 27 10.710 -6.251 1.106 1.00 0.00 N ATOM 0 H HIS A 27 5.824 -6.541 2.314 1.00 0.00 H new ATOM 0 HA HIS A 27 7.877 -6.349 4.407 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.270 -4.109 2.444 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.425 -4.065 3.761 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.116 -6.792 3.147 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.622 -5.177 -0.743 1.00 0.00 H new ATOM 0 HE2 HIS A 27 11.489 -6.886 0.933 1.00 0.00 H new ATOM 421 N TYR A 28 6.396 -4.589 5.646 1.00 0.00 N ATOM 422 CA TYR A 28 5.395 -3.977 6.511 1.00 0.00 C ATOM 423 C TYR A 28 4.901 -2.659 5.925 1.00 0.00 C ATOM 424 O TYR A 28 5.366 -1.584 6.305 1.00 0.00 O ATOM 425 CB TYR A 28 5.972 -3.742 7.908 1.00 0.00 C ATOM 426 CG TYR A 28 4.932 -3.766 9.005 1.00 0.00 C ATOM 427 CD1 TYR A 28 4.055 -4.836 9.135 1.00 0.00 C ATOM 428 CD2 TYR A 28 4.828 -2.720 9.913 1.00 0.00 C ATOM 429 CE1 TYR A 28 3.103 -4.861 10.135 1.00 0.00 C ATOM 430 CE2 TYR A 28 3.880 -2.738 10.918 1.00 0.00 C ATOM 431 CZ TYR A 28 3.019 -3.810 11.024 1.00 0.00 C ATOM 432 OH TYR A 28 2.073 -3.833 12.023 1.00 0.00 O ATOM 0 H TYR A 28 7.357 -4.476 5.968 1.00 0.00 H new ATOM 0 HA TYR A 28 4.549 -4.661 6.585 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.723 -4.504 8.114 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.482 -2.779 7.924 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.119 -5.662 8.442 1.00 0.00 H new ATOM 0 HD2 TYR A 28 5.500 -1.878 9.832 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.428 -5.699 10.220 1.00 0.00 H new ATOM 0 HE2 TYR A 28 3.814 -1.917 11.617 1.00 0.00 H new ATOM 0 HH TYR A 28 1.182 -3.718 11.632 1.00 0.00 H new ATOM 442 N TRP A 29 3.954 -2.749 4.997 1.00 0.00 N ATOM 443 CA TRP A 29 3.395 -1.564 4.358 1.00 0.00 C ATOM 444 C TRP A 29 2.641 -0.705 5.367 1.00 0.00 C ATOM 445 O TRP A 29 1.807 -1.207 6.121 1.00 0.00 O ATOM 446 CB TRP A 29 2.463 -1.968 3.214 1.00 0.00 C ATOM 447 CG TRP A 29 3.186 -2.267 1.936 1.00 0.00 C ATOM 448 CD1 TRP A 29 4.319 -3.015 1.791 1.00 0.00 C ATOM 449 CD2 TRP A 29 2.825 -1.822 0.624 1.00 0.00 C ATOM 450 NE1 TRP A 29 4.684 -3.062 0.467 1.00 0.00 N ATOM 451 CE2 TRP A 29 3.784 -2.340 -0.270 1.00 0.00 C ATOM 452 CE3 TRP A 29 1.784 -1.040 0.116 1.00 0.00 C ATOM 453 CZ2 TRP A 29 3.732 -2.097 -1.640 1.00 0.00 C ATOM 454 CZ3 TRP A 29 1.734 -0.800 -1.244 1.00 0.00 C ATOM 455 CH2 TRP A 29 2.702 -1.328 -2.109 1.00 0.00 C ATOM 0 H TRP A 29 3.558 -3.631 4.671 1.00 0.00 H new ATOM 0 HA TRP A 29 4.220 -0.976 3.955 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.891 -2.846 3.514 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.746 -1.166 3.038 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.850 -3.498 2.598 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.495 -3.555 0.093 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.032 -0.631 0.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 4.478 -2.501 -2.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.935 -0.195 -1.647 1.00 0.00 H new ATOM 0 HH2 TRP A 29 2.634 -1.124 -3.167 1.00 0.00 H new ATOM 466 N ARG A 30 2.938 0.590 5.375 1.00 0.00 N ATOM 467 CA ARG A 30 2.287 1.517 6.292 1.00 0.00 C ATOM 468 C ARG A 30 1.671 2.690 5.535 1.00 0.00 C ATOM 469 O ARG A 30 2.337 3.341 4.729 1.00 0.00 O ATOM 470 CB ARG A 30 3.290 2.034 7.325 1.00 0.00 C ATOM 471 CG ARG A 30 3.819 0.954 8.255 1.00 0.00 C ATOM 472 CD ARG A 30 4.311 1.541 9.568 1.00 0.00 C ATOM 473 NE ARG A 30 4.741 0.506 10.504 1.00 0.00 N ATOM 474 CZ ARG A 30 5.550 0.734 11.532 1.00 0.00 C ATOM 475 NH1 ARG A 30 6.014 1.956 11.756 1.00 0.00 N ATOM 476 NH2 ARG A 30 5.896 -0.260 12.340 1.00 0.00 N ATOM 0 H ARG A 30 3.625 1.021 4.757 1.00 0.00 H new ATOM 0 HA ARG A 30 1.490 0.980 6.806 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.129 2.496 6.805 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.816 2.814 7.921 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.033 0.226 8.453 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.633 0.419 7.767 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.141 2.220 9.373 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.515 2.132 10.022 1.00 0.00 H new ATOM 0 HE ARG A 30 4.401 -0.445 10.360 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.750 2.723 11.138 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.635 2.129 12.546 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.540 -1.201 12.172 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.518 -0.083 13.129 1.00 0.00 H new ATOM 490 N LEU A 31 0.396 2.953 5.798 1.00 0.00 N ATOM 491 CA LEU A 31 -0.311 4.047 5.141 1.00 0.00 C ATOM 492 C LEU A 31 -0.769 5.088 6.157 1.00 0.00 C ATOM 493 O LEU A 31 -0.913 4.790 7.343 1.00 0.00 O ATOM 494 CB LEU A 31 -1.515 3.509 4.366 1.00 0.00 C ATOM 495 CG LEU A 31 -2.664 4.494 4.143 1.00 0.00 C ATOM 496 CD1 LEU A 31 -2.301 5.503 3.065 1.00 0.00 C ATOM 497 CD2 LEU A 31 -3.939 3.750 3.773 1.00 0.00 C ATOM 0 H LEU A 31 -0.170 2.424 6.462 1.00 0.00 H new ATOM 0 HA LEU A 31 0.377 4.526 4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.169 3.159 3.393 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.905 2.641 4.897 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.839 5.035 5.073 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.130 6.195 2.920 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.414 6.058 3.370 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.098 4.980 2.131 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.746 4.466 3.618 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.776 3.183 2.857 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.209 3.068 4.579 1.00 0.00 H new ATOM 509 N ASP A 32 -1.000 6.308 5.684 1.00 0.00 N ATOM 510 CA ASP A 32 -1.445 7.392 6.551 1.00 0.00 C ATOM 511 C ASP A 32 -1.997 8.553 5.729 1.00 0.00 C ATOM 512 O ASP A 32 -1.994 8.512 4.499 1.00 0.00 O ATOM 513 CB ASP A 32 -0.292 7.877 7.431 1.00 0.00 C ATOM 514 CG ASP A 32 1.057 7.711 6.760 1.00 0.00 C ATOM 515 OD1 ASP A 32 1.421 6.561 6.434 1.00 0.00 O ATOM 516 OD2 ASP A 32 1.750 8.731 6.561 1.00 0.00 O ATOM 0 H ASP A 32 -0.886 6.571 4.705 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.242 7.010 7.189 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.445 8.927 7.679 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.298 7.324 8.370 1.00 0.00 H new ATOM 521 N SER A 33 -2.472 9.586 6.418 1.00 0.00 N ATOM 522 CA SER A 33 -3.032 10.756 5.752 1.00 0.00 C ATOM 523 C SER A 33 -1.926 11.630 5.168 1.00 0.00 C ATOM 524 O SER A 33 -2.185 12.717 4.652 1.00 0.00 O ATOM 525 CB SER A 33 -3.878 11.571 6.732 1.00 0.00 C ATOM 526 OG SER A 33 -4.227 12.829 6.181 1.00 0.00 O ATOM 0 H SER A 33 -2.480 9.636 7.437 1.00 0.00 H new ATOM 0 HA SER A 33 -3.667 10.410 4.936 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.782 11.017 6.984 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.325 11.718 7.660 1.00 0.00 H new ATOM 0 HG SER A 33 -3.838 12.913 5.285 1.00 0.00 H new ATOM 532 N LYS A 34 -0.692 11.146 5.253 1.00 0.00 N ATOM 533 CA LYS A 34 0.456 11.881 4.733 1.00 0.00 C ATOM 534 C LYS A 34 1.003 11.215 3.475 1.00 0.00 C ATOM 535 O LYS A 34 0.919 11.772 2.380 1.00 0.00 O ATOM 536 CB LYS A 34 1.554 11.969 5.795 1.00 0.00 C ATOM 537 CG LYS A 34 2.752 12.797 5.363 1.00 0.00 C ATOM 538 CD LYS A 34 2.537 14.276 5.640 1.00 0.00 C ATOM 539 CE LYS A 34 3.857 15.028 5.705 1.00 0.00 C ATOM 540 NZ LYS A 34 4.499 14.908 7.043 1.00 0.00 N ATOM 0 H LYS A 34 -0.460 10.248 5.677 1.00 0.00 H new ATOM 0 HA LYS A 34 0.126 12.888 4.476 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.135 12.399 6.705 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.889 10.962 6.043 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.642 12.453 5.890 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.934 12.648 4.299 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.910 14.706 4.859 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.001 14.397 6.582 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.533 14.642 4.942 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.687 16.080 5.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.396 15.434 7.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.865 15.300 7.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.685 13.906 7.250 1.00 0.00 H new ATOM 554 N CYS A 35 1.561 10.020 3.638 1.00 0.00 N ATOM 555 CA CYS A 35 2.121 9.278 2.514 1.00 0.00 C ATOM 556 C CYS A 35 2.232 7.793 2.845 1.00 0.00 C ATOM 557 O CYS A 35 2.242 7.405 4.014 1.00 0.00 O ATOM 558 CB CYS A 35 3.496 9.835 2.143 1.00 0.00 C ATOM 559 SG CYS A 35 4.594 10.092 3.556 1.00 0.00 S ATOM 0 H CYS A 35 1.638 9.545 4.537 1.00 0.00 H new ATOM 0 HA CYS A 35 1.449 9.393 1.663 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.976 9.151 1.443 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.364 10.783 1.622 1.00 0.00 H new ATOM 0 HG CYS A 35 5.733 10.563 3.141 1.00 0.00 H new ATOM 565 N LEU A 36 2.315 6.966 1.808 1.00 0.00 N ATOM 566 CA LEU A 36 2.424 5.523 1.988 1.00 0.00 C ATOM 567 C LEU A 36 3.885 5.091 2.049 1.00 0.00 C ATOM 568 O LEU A 36 4.570 5.030 1.027 1.00 0.00 O ATOM 569 CB LEU A 36 1.711 4.792 0.848 1.00 0.00 C ATOM 570 CG LEU A 36 2.055 3.311 0.682 1.00 0.00 C ATOM 571 CD1 LEU A 36 1.326 2.474 1.722 1.00 0.00 C ATOM 572 CD2 LEU A 36 1.711 2.838 -0.723 1.00 0.00 C ATOM 0 H LEU A 36 2.309 7.270 0.834 1.00 0.00 H new ATOM 0 HA LEU A 36 1.948 5.262 2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.636 4.880 1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.941 5.305 -0.086 1.00 0.00 H new ATOM 0 HG LEU A 36 3.127 3.187 0.833 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.583 1.423 1.588 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.622 2.796 2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.250 2.602 1.603 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.962 1.782 -0.823 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.645 2.976 -0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.279 3.417 -1.451 1.00 0.00 H new ATOM 584 N THR A 37 4.358 4.788 3.254 1.00 0.00 N ATOM 585 CA THR A 37 5.737 4.360 3.449 1.00 0.00 C ATOM 586 C THR A 37 5.813 2.867 3.744 1.00 0.00 C ATOM 587 O THR A 37 4.868 2.279 4.272 1.00 0.00 O ATOM 588 CB THR A 37 6.408 5.133 4.601 1.00 0.00 C ATOM 589 OG1 THR A 37 5.906 6.474 4.648 1.00 0.00 O ATOM 590 CG2 THR A 37 7.919 5.158 4.428 1.00 0.00 C ATOM 0 H THR A 37 3.805 4.831 4.110 1.00 0.00 H new ATOM 0 HA THR A 37 6.267 4.572 2.521 1.00 0.00 H new ATOM 0 HB THR A 37 6.174 4.624 5.536 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.336 6.959 5.384 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.371 5.709 5.253 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.301 4.137 4.421 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.169 5.646 3.486 1.00 0.00 H new ATOM 598 N LEU A 38 6.942 2.257 3.399 1.00 0.00 N ATOM 599 CA LEU A 38 7.142 0.830 3.627 1.00 0.00 C ATOM 600 C LEU A 38 8.172 0.594 4.727 1.00 0.00 C ATOM 601 O LEU A 38 9.165 1.315 4.828 1.00 0.00 O ATOM 602 CB LEU A 38 7.591 0.145 2.335 1.00 0.00 C ATOM 603 CG LEU A 38 6.481 -0.234 1.355 1.00 0.00 C ATOM 604 CD1 LEU A 38 5.873 1.012 0.730 1.00 0.00 C ATOM 605 CD2 LEU A 38 7.016 -1.166 0.278 1.00 0.00 C ATOM 0 H LEU A 38 7.733 2.729 2.960 1.00 0.00 H new ATOM 0 HA LEU A 38 6.192 0.401 3.946 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.291 0.805 1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.140 -0.759 2.599 1.00 0.00 H new ATOM 0 HG LEU A 38 5.700 -0.758 1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.085 0.723 0.035 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.453 1.644 1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.645 1.564 0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.212 -1.425 -0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.816 -0.668 -0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.403 -2.073 0.742 1.00 0.00 H new ATOM 617 N PHE A 39 7.930 -0.423 5.548 1.00 0.00 N ATOM 618 CA PHE A 39 8.837 -0.756 6.640 1.00 0.00 C ATOM 619 C PHE A 39 9.313 -2.202 6.531 1.00 0.00 C ATOM 620 O PHE A 39 8.513 -3.135 6.599 1.00 0.00 O ATOM 621 CB PHE A 39 8.149 -0.534 7.989 1.00 0.00 C ATOM 622 CG PHE A 39 8.204 0.890 8.463 1.00 0.00 C ATOM 623 CD1 PHE A 39 7.336 1.839 7.948 1.00 0.00 C ATOM 624 CD2 PHE A 39 9.125 1.280 9.422 1.00 0.00 C ATOM 625 CE1 PHE A 39 7.383 3.151 8.382 1.00 0.00 C ATOM 626 CE2 PHE A 39 9.177 2.590 9.860 1.00 0.00 C ATOM 627 CZ PHE A 39 8.306 3.526 9.339 1.00 0.00 C ATOM 0 H PHE A 39 7.114 -1.030 5.478 1.00 0.00 H new ATOM 0 HA PHE A 39 9.705 -0.100 6.570 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.106 -0.843 7.911 1.00 0.00 H new ATOM 0 HB3 PHE A 39 8.616 -1.175 8.736 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.614 1.551 7.198 1.00 0.00 H new ATOM 0 HD2 PHE A 39 9.810 0.552 9.832 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.700 3.881 7.974 1.00 0.00 H new ATOM 0 HE2 PHE A 39 9.898 2.881 10.609 1.00 0.00 H new ATOM 0 HZ PHE A 39 8.346 4.550 9.679 1.00 0.00 H new ATOM 637 N GLN A 40 10.619 -2.378 6.360 1.00 0.00 N ATOM 638 CA GLN A 40 11.201 -3.709 6.239 1.00 0.00 C ATOM 639 C GLN A 40 10.647 -4.644 7.310 1.00 0.00 C ATOM 640 O GLN A 40 10.231 -5.763 7.015 1.00 0.00 O ATOM 641 CB GLN A 40 12.725 -3.635 6.349 1.00 0.00 C ATOM 642 CG GLN A 40 13.419 -4.962 6.087 1.00 0.00 C ATOM 643 CD GLN A 40 13.633 -5.227 4.610 1.00 0.00 C ATOM 644 OE1 GLN A 40 12.724 -5.051 3.798 1.00 0.00 O ATOM 645 NE2 GLN A 40 14.839 -5.653 4.254 1.00 0.00 N ATOM 0 H GLN A 40 11.294 -1.616 6.302 1.00 0.00 H new ATOM 0 HA GLN A 40 10.934 -4.107 5.260 1.00 0.00 H new ATOM 0 HB2 GLN A 40 13.097 -2.894 5.641 1.00 0.00 H new ATOM 0 HB3 GLN A 40 12.992 -3.285 7.346 1.00 0.00 H new ATOM 0 HG2 GLN A 40 14.382 -4.971 6.597 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.824 -5.769 6.515 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.562 -5.785 4.961 1.00 0.00 H new ATOM 0 HE22 GLN A 40 15.042 -5.848 3.274 1.00 0.00 H new ATOM 654 N ASN A 41 10.646 -4.176 8.554 1.00 0.00 N ATOM 655 CA ASN A 41 10.144 -4.971 9.669 1.00 0.00 C ATOM 656 C ASN A 41 9.218 -4.143 10.554 1.00 0.00 C ATOM 657 O ASN A 41 9.185 -2.917 10.458 1.00 0.00 O ATOM 658 CB ASN A 41 11.308 -5.516 10.498 1.00 0.00 C ATOM 659 CG ASN A 41 12.185 -6.469 9.709 1.00 0.00 C ATOM 660 OD1 ASN A 41 13.266 -6.100 9.249 1.00 0.00 O ATOM 661 ND2 ASN A 41 11.721 -7.703 9.547 1.00 0.00 N ATOM 0 H ASN A 41 10.987 -3.251 8.815 1.00 0.00 H new ATOM 0 HA ASN A 41 9.575 -5.806 9.260 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.913 -4.685 10.859 1.00 0.00 H new ATOM 0 HB3 ASN A 41 10.916 -6.030 11.376 1.00 0.00 H new ATOM 0 HD21 ASN A 41 12.266 -8.388 9.024 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.820 -7.965 9.946 1.00 0.00 H new ATOM 668 N GLU A 42 8.467 -4.823 11.415 1.00 0.00 N ATOM 669 CA GLU A 42 7.541 -4.149 12.317 1.00 0.00 C ATOM 670 C GLU A 42 8.260 -3.083 13.140 1.00 0.00 C ATOM 671 O GLU A 42 7.872 -1.915 13.137 1.00 0.00 O ATOM 672 CB GLU A 42 6.872 -5.163 13.248 1.00 0.00 C ATOM 673 CG GLU A 42 5.951 -6.134 12.530 1.00 0.00 C ATOM 674 CD GLU A 42 4.871 -6.693 13.436 1.00 0.00 C ATOM 675 OE1 GLU A 42 5.220 -7.293 14.474 1.00 0.00 O ATOM 676 OE2 GLU A 42 3.678 -6.529 13.107 1.00 0.00 O ATOM 0 H GLU A 42 8.482 -5.839 11.507 1.00 0.00 H new ATOM 0 HA GLU A 42 6.776 -3.661 11.713 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.644 -5.727 13.771 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.301 -4.626 14.005 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.485 -5.629 11.684 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.541 -6.956 12.124 1.00 0.00 H new ATOM 683 N SER A 43 9.309 -3.496 13.843 1.00 0.00 N ATOM 684 CA SER A 43 10.081 -2.579 14.674 1.00 0.00 C ATOM 685 C SER A 43 11.301 -2.058 13.921 1.00 0.00 C ATOM 686 O SER A 43 12.401 -2.593 14.052 1.00 0.00 O ATOM 687 CB SER A 43 10.522 -3.274 15.964 1.00 0.00 C ATOM 688 OG SER A 43 9.497 -3.235 16.941 1.00 0.00 O ATOM 0 H SER A 43 9.644 -4.459 13.854 1.00 0.00 H new ATOM 0 HA SER A 43 9.443 -1.732 14.926 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.786 -4.310 15.751 1.00 0.00 H new ATOM 0 HB3 SER A 43 11.418 -2.790 16.353 1.00 0.00 H new ATOM 0 HG SER A 43 9.803 -3.687 17.755 1.00 0.00 H new ATOM 694 N GLY A 44 11.097 -1.009 13.130 1.00 0.00 N ATOM 695 CA GLY A 44 12.187 -0.432 12.366 1.00 0.00 C ATOM 696 C GLY A 44 11.966 1.035 12.054 1.00 0.00 C ATOM 697 O GLY A 44 11.505 1.383 10.967 1.00 0.00 O ATOM 0 H GLY A 44 10.196 -0.548 13.005 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.117 -0.545 12.924 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.305 -0.984 11.434 1.00 0.00 H new ATOM 701 N SER A 45 12.292 1.897 13.011 1.00 0.00 N ATOM 702 CA SER A 45 12.120 3.335 12.836 1.00 0.00 C ATOM 703 C SER A 45 12.509 3.760 11.423 1.00 0.00 C ATOM 704 O SER A 45 11.922 4.681 10.856 1.00 0.00 O ATOM 705 CB SER A 45 12.961 4.099 13.861 1.00 0.00 C ATOM 706 OG SER A 45 12.517 3.838 15.181 1.00 0.00 O ATOM 0 H SER A 45 12.677 1.625 13.916 1.00 0.00 H new ATOM 0 HA SER A 45 11.068 3.572 12.991 1.00 0.00 H new ATOM 0 HB2 SER A 45 14.008 3.813 13.763 1.00 0.00 H new ATOM 0 HB3 SER A 45 12.903 5.169 13.659 1.00 0.00 H new ATOM 0 HG SER A 45 13.071 4.336 15.817 1.00 0.00 H new ATOM 712 N LYS A 46 13.504 3.081 10.861 1.00 0.00 N ATOM 713 CA LYS A 46 13.973 3.386 9.514 1.00 0.00 C ATOM 714 C LYS A 46 12.897 3.072 8.480 1.00 0.00 C ATOM 715 O LYS A 46 11.972 2.303 8.745 1.00 0.00 O ATOM 716 CB LYS A 46 15.243 2.591 9.202 1.00 0.00 C ATOM 717 CG LYS A 46 16.456 3.048 9.993 1.00 0.00 C ATOM 718 CD LYS A 46 17.741 2.461 9.432 1.00 0.00 C ATOM 719 CE LYS A 46 18.014 1.076 9.998 1.00 0.00 C ATOM 720 NZ LYS A 46 19.255 0.480 9.431 1.00 0.00 N ATOM 0 H LYS A 46 14.001 2.316 11.317 1.00 0.00 H new ATOM 0 HA LYS A 46 14.198 4.451 9.467 1.00 0.00 H new ATOM 0 HB2 LYS A 46 15.061 1.536 9.409 1.00 0.00 H new ATOM 0 HB3 LYS A 46 15.461 2.674 8.137 1.00 0.00 H new ATOM 0 HG2 LYS A 46 16.514 4.136 9.976 1.00 0.00 H new ATOM 0 HG3 LYS A 46 16.344 2.751 11.036 1.00 0.00 H new ATOM 0 HD2 LYS A 46 17.673 2.404 8.346 1.00 0.00 H new ATOM 0 HD3 LYS A 46 18.576 3.122 9.665 1.00 0.00 H new ATOM 0 HE2 LYS A 46 18.104 1.138 11.083 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.167 0.423 9.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 19.406 -0.463 9.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 19.160 0.397 8.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 20.067 1.090 9.656 1.00 0.00 H new ATOM 734 N TYR A 47 13.024 3.670 7.301 1.00 0.00 N ATOM 735 CA TYR A 47 12.062 3.455 6.227 1.00 0.00 C ATOM 736 C TYR A 47 12.714 2.743 5.045 1.00 0.00 C ATOM 737 O TYR A 47 13.938 2.722 4.918 1.00 0.00 O ATOM 738 CB TYR A 47 11.470 4.789 5.769 1.00 0.00 C ATOM 739 CG TYR A 47 12.284 5.475 4.695 1.00 0.00 C ATOM 740 CD1 TYR A 47 13.442 6.173 5.013 1.00 0.00 C ATOM 741 CD2 TYR A 47 11.894 5.425 3.362 1.00 0.00 C ATOM 742 CE1 TYR A 47 14.188 6.803 4.035 1.00 0.00 C ATOM 743 CE2 TYR A 47 12.635 6.050 2.377 1.00 0.00 C ATOM 744 CZ TYR A 47 13.781 6.738 2.719 1.00 0.00 C ATOM 745 OH TYR A 47 14.522 7.362 1.742 1.00 0.00 O ATOM 0 H TYR A 47 13.784 4.308 7.065 1.00 0.00 H new ATOM 0 HA TYR A 47 11.262 2.823 6.612 1.00 0.00 H new ATOM 0 HB2 TYR A 47 10.460 4.620 5.395 1.00 0.00 H new ATOM 0 HB3 TYR A 47 11.385 5.454 6.629 1.00 0.00 H new ATOM 0 HD1 TYR A 47 13.765 6.224 6.042 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.997 4.889 3.091 1.00 0.00 H new ATOM 0 HE1 TYR A 47 15.085 7.343 4.300 1.00 0.00 H new ATOM 0 HE2 TYR A 47 12.319 6.000 1.346 1.00 0.00 H new ATOM 0 HH TYR A 47 14.099 7.219 0.869 1.00 0.00 H new ATOM 755 N TYR A 48 11.887 2.161 4.184 1.00 0.00 N ATOM 756 CA TYR A 48 12.381 1.445 3.014 1.00 0.00 C ATOM 757 C TYR A 48 12.097 2.229 1.736 1.00 0.00 C ATOM 758 O TYR A 48 12.989 2.451 0.917 1.00 0.00 O ATOM 759 CB TYR A 48 11.740 0.059 2.929 1.00 0.00 C ATOM 760 CG TYR A 48 11.897 -0.598 1.576 1.00 0.00 C ATOM 761 CD1 TYR A 48 11.035 -0.294 0.530 1.00 0.00 C ATOM 762 CD2 TYR A 48 12.907 -1.524 1.345 1.00 0.00 C ATOM 763 CE1 TYR A 48 11.174 -0.893 -0.707 1.00 0.00 C ATOM 764 CE2 TYR A 48 13.054 -2.126 0.110 1.00 0.00 C ATOM 765 CZ TYR A 48 12.185 -1.808 -0.912 1.00 0.00 C ATOM 766 OH TYR A 48 12.328 -2.406 -2.143 1.00 0.00 O ATOM 0 H TYR A 48 10.871 2.171 4.274 1.00 0.00 H new ATOM 0 HA TYR A 48 13.460 1.332 3.118 1.00 0.00 H new ATOM 0 HB2 TYR A 48 12.183 -0.584 3.690 1.00 0.00 H new ATOM 0 HB3 TYR A 48 10.678 0.144 3.162 1.00 0.00 H new ATOM 0 HD1 TYR A 48 10.243 0.423 0.687 1.00 0.00 H new ATOM 0 HD2 TYR A 48 13.588 -1.777 2.144 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.494 -0.646 -1.509 1.00 0.00 H new ATOM 0 HE2 TYR A 48 13.846 -2.842 -0.054 1.00 0.00 H new ATOM 0 HH TYR A 48 13.088 -3.024 -2.120 1.00 0.00 H new ATOM 776 N LYS A 49 10.846 2.647 1.573 1.00 0.00 N ATOM 777 CA LYS A 49 10.441 3.408 0.397 1.00 0.00 C ATOM 778 C LYS A 49 9.231 4.283 0.706 1.00 0.00 C ATOM 779 O LYS A 49 8.228 3.806 1.235 1.00 0.00 O ATOM 780 CB LYS A 49 10.116 2.462 -0.762 1.00 0.00 C ATOM 781 CG LYS A 49 10.150 3.134 -2.123 1.00 0.00 C ATOM 782 CD LYS A 49 11.531 3.053 -2.751 1.00 0.00 C ATOM 783 CE LYS A 49 11.493 3.412 -4.229 1.00 0.00 C ATOM 784 NZ LYS A 49 12.807 3.922 -4.709 1.00 0.00 N ATOM 0 H LYS A 49 10.095 2.471 2.241 1.00 0.00 H new ATOM 0 HA LYS A 49 11.271 4.053 0.110 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.827 1.636 -0.756 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.127 2.032 -0.603 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.422 2.661 -2.782 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.856 4.179 -2.021 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.209 3.728 -2.229 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.928 2.045 -2.630 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.210 2.534 -4.809 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.726 4.167 -4.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.740 4.156 -5.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.065 4.775 -4.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.535 3.192 -4.570 1.00 0.00 H new ATOM 798 N GLU A 50 9.332 5.566 0.370 1.00 0.00 N ATOM 799 CA GLU A 50 8.245 6.507 0.612 1.00 0.00 C ATOM 800 C GLU A 50 7.417 6.717 -0.652 1.00 0.00 C ATOM 801 O GLU A 50 7.948 7.085 -1.700 1.00 0.00 O ATOM 802 CB GLU A 50 8.799 7.846 1.101 1.00 0.00 C ATOM 803 CG GLU A 50 7.797 8.665 1.897 1.00 0.00 C ATOM 804 CD GLU A 50 8.458 9.747 2.729 1.00 0.00 C ATOM 805 OE1 GLU A 50 8.693 10.849 2.192 1.00 0.00 O ATOM 806 OE2 GLU A 50 8.739 9.490 3.919 1.00 0.00 O ATOM 0 H GLU A 50 10.155 5.977 -0.070 1.00 0.00 H new ATOM 0 HA GLU A 50 7.599 6.087 1.383 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.678 7.662 1.719 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.130 8.428 0.241 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.083 9.123 1.213 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.231 8.003 2.552 1.00 0.00 H new ATOM 813 N ILE A 51 6.113 6.481 -0.545 1.00 0.00 N ATOM 814 CA ILE A 51 5.212 6.645 -1.678 1.00 0.00 C ATOM 815 C ILE A 51 4.183 7.738 -1.409 1.00 0.00 C ATOM 816 O ILE A 51 3.118 7.496 -0.840 1.00 0.00 O ATOM 817 CB ILE A 51 4.476 5.333 -2.007 1.00 0.00 C ATOM 818 CG1 ILE A 51 5.474 4.180 -2.130 1.00 0.00 C ATOM 819 CG2 ILE A 51 3.671 5.484 -3.289 1.00 0.00 C ATOM 820 CD1 ILE A 51 4.834 2.813 -2.026 1.00 0.00 C ATOM 0 H ILE A 51 5.658 6.176 0.315 1.00 0.00 H new ATOM 0 HA ILE A 51 5.827 6.931 -2.531 1.00 0.00 H new ATOM 0 HB ILE A 51 3.787 5.106 -1.194 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.991 4.258 -3.086 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.229 4.279 -1.350 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.157 4.548 -3.508 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.938 6.281 -3.166 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.341 5.731 -4.112 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.601 2.044 -2.122 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.341 2.715 -1.059 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.099 2.694 -2.822 1.00 0.00 H new ATOM 832 N PRO A 52 4.506 8.971 -1.828 1.00 0.00 N ATOM 833 CA PRO A 52 3.622 10.126 -1.645 1.00 0.00 C ATOM 834 C PRO A 52 2.377 10.047 -2.521 1.00 0.00 C ATOM 835 O PRO A 52 2.468 9.816 -3.728 1.00 0.00 O ATOM 836 CB PRO A 52 4.496 11.311 -2.062 1.00 0.00 C ATOM 837 CG PRO A 52 5.499 10.731 -2.999 1.00 0.00 C ATOM 838 CD PRO A 52 5.758 9.332 -2.513 1.00 0.00 C ATOM 0 HA PRO A 52 3.247 10.195 -0.624 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.905 12.088 -2.546 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.979 11.770 -1.199 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.121 10.725 -4.021 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.417 11.319 -3.002 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.974 8.654 -3.338 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.612 9.293 -1.836 1.00 0.00 H new ATOM 846 N LEU A 53 1.214 10.242 -1.908 1.00 0.00 N ATOM 847 CA LEU A 53 -0.051 10.194 -2.633 1.00 0.00 C ATOM 848 C LEU A 53 0.069 10.893 -3.984 1.00 0.00 C ATOM 849 O LEU A 53 -0.554 10.485 -4.963 1.00 0.00 O ATOM 850 CB LEU A 53 -1.161 10.845 -1.806 1.00 0.00 C ATOM 851 CG LEU A 53 -1.371 10.277 -0.402 1.00 0.00 C ATOM 852 CD1 LEU A 53 -2.258 11.200 0.419 1.00 0.00 C ATOM 853 CD2 LEU A 53 -1.973 8.882 -0.475 1.00 0.00 C ATOM 0 H LEU A 53 1.121 10.435 -0.911 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.302 9.148 -2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.944 11.909 -1.717 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.097 10.755 -2.357 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.401 10.206 0.090 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.397 10.780 1.415 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.787 12.180 0.501 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.227 11.303 -0.070 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.115 8.494 0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.935 8.927 -0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.301 8.224 -1.025 1.00 0.00 H new ATOM 865 N SER A 54 0.876 11.949 -4.028 1.00 0.00 N ATOM 866 CA SER A 54 1.076 12.706 -5.258 1.00 0.00 C ATOM 867 C SER A 54 1.694 11.829 -6.342 1.00 0.00 C ATOM 868 O SER A 54 1.229 11.811 -7.481 1.00 0.00 O ATOM 869 CB SER A 54 1.972 13.918 -4.995 1.00 0.00 C ATOM 870 OG SER A 54 1.376 14.799 -4.059 1.00 0.00 O ATOM 0 H SER A 54 1.401 12.299 -3.227 1.00 0.00 H new ATOM 0 HA SER A 54 0.102 13.051 -5.606 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.940 13.584 -4.620 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.157 14.447 -5.930 1.00 0.00 H new ATOM 0 HG SER A 54 1.969 15.564 -3.907 1.00 0.00 H new ATOM 876 N GLU A 55 2.746 11.101 -5.978 1.00 0.00 N ATOM 877 CA GLU A 55 3.428 10.222 -6.919 1.00 0.00 C ATOM 878 C GLU A 55 2.427 9.354 -7.677 1.00 0.00 C ATOM 879 O GLU A 55 2.358 9.397 -8.906 1.00 0.00 O ATOM 880 CB GLU A 55 4.435 9.334 -6.184 1.00 0.00 C ATOM 881 CG GLU A 55 4.773 8.053 -6.928 1.00 0.00 C ATOM 882 CD GLU A 55 6.176 7.559 -6.630 1.00 0.00 C ATOM 883 OE1 GLU A 55 7.068 8.405 -6.409 1.00 0.00 O ATOM 884 OE2 GLU A 55 6.382 6.327 -6.619 1.00 0.00 O ATOM 0 H GLU A 55 3.143 11.103 -5.039 1.00 0.00 H new ATOM 0 HA GLU A 55 3.960 10.845 -7.638 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.352 9.900 -6.017 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.034 9.079 -5.203 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.054 7.280 -6.658 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.671 8.222 -8.000 1.00 0.00 H new ATOM 891 N ILE A 56 1.655 8.567 -6.935 1.00 0.00 N ATOM 892 CA ILE A 56 0.658 7.690 -7.536 1.00 0.00 C ATOM 893 C ILE A 56 -0.206 8.446 -8.541 1.00 0.00 C ATOM 894 O ILE A 56 -0.753 9.506 -8.232 1.00 0.00 O ATOM 895 CB ILE A 56 -0.253 7.057 -6.468 1.00 0.00 C ATOM 896 CG1 ILE A 56 0.583 6.274 -5.453 1.00 0.00 C ATOM 897 CG2 ILE A 56 -1.287 6.153 -7.121 1.00 0.00 C ATOM 898 CD1 ILE A 56 -0.187 5.878 -4.213 1.00 0.00 C ATOM 0 H ILE A 56 1.701 8.519 -5.917 1.00 0.00 H new ATOM 0 HA ILE A 56 1.204 6.900 -8.051 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.778 7.854 -5.941 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.972 5.375 -5.931 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.442 6.877 -5.160 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.923 5.713 -6.353 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.899 6.737 -7.808 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.781 5.359 -7.671 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.468 5.327 -3.539 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.554 6.773 -3.711 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.031 5.248 -4.494 1.00 0.00 H new ATOM 910 N LEU A 57 -0.325 7.895 -9.743 1.00 0.00 N ATOM 911 CA LEU A 57 -1.124 8.516 -10.794 1.00 0.00 C ATOM 912 C LEU A 57 -2.525 7.915 -10.839 1.00 0.00 C ATOM 913 O LEU A 57 -3.521 8.623 -10.689 1.00 0.00 O ATOM 914 CB LEU A 57 -0.439 8.345 -12.151 1.00 0.00 C ATOM 915 CG LEU A 57 0.970 8.926 -12.269 1.00 0.00 C ATOM 916 CD1 LEU A 57 1.680 8.361 -13.490 1.00 0.00 C ATOM 917 CD2 LEU A 57 0.917 10.445 -12.336 1.00 0.00 C ATOM 0 H LEU A 57 0.122 7.019 -10.015 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.212 9.579 -10.570 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.392 7.280 -12.380 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.066 8.808 -12.913 1.00 0.00 H new ATOM 0 HG LEU A 57 1.535 8.641 -11.381 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.681 8.786 -13.558 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.751 7.277 -13.400 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.117 8.615 -14.388 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.929 10.841 -12.420 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.335 10.751 -13.205 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.449 10.833 -11.431 1.00 0.00 H new ATOM 929 N ARG A 58 -2.595 6.604 -11.045 1.00 0.00 N ATOM 930 CA ARG A 58 -3.874 5.907 -11.109 1.00 0.00 C ATOM 931 C ARG A 58 -3.684 4.403 -10.933 1.00 0.00 C ATOM 932 O ARG A 58 -2.571 3.932 -10.696 1.00 0.00 O ATOM 933 CB ARG A 58 -4.568 6.191 -12.443 1.00 0.00 C ATOM 934 CG ARG A 58 -4.126 5.270 -13.568 1.00 0.00 C ATOM 935 CD ARG A 58 -2.650 5.449 -13.888 1.00 0.00 C ATOM 936 NE ARG A 58 -2.355 5.164 -15.289 1.00 0.00 N ATOM 937 CZ ARG A 58 -2.508 6.050 -16.267 1.00 0.00 C ATOM 938 NH1 ARG A 58 -2.950 7.270 -15.998 1.00 0.00 N ATOM 939 NH2 ARG A 58 -2.218 5.715 -17.518 1.00 0.00 N ATOM 0 H ARG A 58 -1.781 6.003 -11.170 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.500 6.274 -10.296 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.646 6.096 -12.310 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.372 7.224 -12.732 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.315 4.234 -13.287 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.720 5.472 -14.460 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.350 6.471 -13.655 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.059 4.790 -13.252 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.013 4.234 -15.530 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.174 7.531 -15.038 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.066 7.948 -16.751 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -1.878 4.777 -17.729 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.336 6.396 -18.269 1.00 0.00 H new ATOM 953 N ILE A 59 -4.776 3.656 -11.051 1.00 0.00 N ATOM 954 CA ILE A 59 -4.729 2.207 -10.905 1.00 0.00 C ATOM 955 C ILE A 59 -4.987 1.512 -12.238 1.00 0.00 C ATOM 956 O ILE A 59 -5.706 2.031 -13.091 1.00 0.00 O ATOM 957 CB ILE A 59 -5.758 1.711 -9.872 1.00 0.00 C ATOM 958 CG1 ILE A 59 -5.504 2.363 -8.512 1.00 0.00 C ATOM 959 CG2 ILE A 59 -5.705 0.195 -9.757 1.00 0.00 C ATOM 960 CD1 ILE A 59 -4.263 1.847 -7.817 1.00 0.00 C ATOM 0 H ILE A 59 -5.704 4.030 -11.247 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.727 1.957 -10.555 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.755 1.996 -10.209 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.414 3.441 -8.646 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.368 2.193 -7.869 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.438 -0.140 -9.023 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.931 -0.251 -10.725 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.708 -0.111 -9.440 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.145 2.353 -6.859 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.358 0.774 -7.651 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.390 2.042 -8.440 1.00 0.00 H new ATOM 972 N SER A 60 -4.396 0.333 -12.408 1.00 0.00 N ATOM 973 CA SER A 60 -4.560 -0.433 -13.638 1.00 0.00 C ATOM 974 C SER A 60 -5.645 -1.494 -13.477 1.00 0.00 C ATOM 975 O SER A 60 -5.872 -2.002 -12.379 1.00 0.00 O ATOM 976 CB SER A 60 -3.238 -1.095 -14.031 1.00 0.00 C ATOM 977 OG SER A 60 -3.314 -1.653 -15.332 1.00 0.00 O ATOM 0 H SER A 60 -3.800 -0.112 -11.710 1.00 0.00 H new ATOM 0 HA SER A 60 -4.863 0.255 -14.428 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.434 -0.360 -13.994 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.990 -1.875 -13.311 1.00 0.00 H new ATOM 0 HG SER A 60 -2.456 -2.068 -15.560 1.00 0.00 H new ATOM 983 N SER A 61 -6.311 -1.822 -14.579 1.00 0.00 N ATOM 984 CA SER A 61 -7.375 -2.819 -14.561 1.00 0.00 C ATOM 985 C SER A 61 -6.799 -4.226 -14.434 1.00 0.00 C ATOM 986 O SER A 61 -5.668 -4.500 -14.836 1.00 0.00 O ATOM 987 CB SER A 61 -8.222 -2.715 -15.830 1.00 0.00 C ATOM 988 OG SER A 61 -9.238 -1.737 -15.687 1.00 0.00 O ATOM 0 H SER A 61 -6.133 -1.412 -15.496 1.00 0.00 H new ATOM 0 HA SER A 61 -8.007 -2.624 -13.694 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.584 -2.460 -16.677 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.673 -3.683 -16.050 1.00 0.00 H new ATOM 0 HG SER A 61 -9.764 -1.689 -16.512 1.00 0.00 H new ATOM 994 N PRO A 62 -7.595 -5.141 -13.861 1.00 0.00 N ATOM 995 CA PRO A 62 -7.187 -6.535 -13.668 1.00 0.00 C ATOM 996 C PRO A 62 -7.092 -7.299 -14.984 1.00 0.00 C ATOM 997 O PRO A 62 -6.612 -8.433 -15.022 1.00 0.00 O ATOM 998 CB PRO A 62 -8.302 -7.114 -12.793 1.00 0.00 C ATOM 999 CG PRO A 62 -9.490 -6.263 -13.083 1.00 0.00 C ATOM 1000 CD PRO A 62 -8.955 -4.884 -13.358 1.00 0.00 C ATOM 0 HA PRO A 62 -6.195 -6.611 -13.223 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.494 -8.159 -13.036 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -8.036 -7.077 -11.737 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -10.044 -6.645 -13.941 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -10.179 -6.253 -12.238 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -9.563 -4.356 -14.093 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.941 -4.271 -12.457 1.00 0.00 H new ATOM 1008 N ARG A 63 -7.551 -6.672 -16.062 1.00 0.00 N ATOM 1009 CA ARG A 63 -7.518 -7.293 -17.380 1.00 0.00 C ATOM 1010 C ARG A 63 -6.184 -7.994 -17.618 1.00 0.00 C ATOM 1011 O ARG A 63 -6.143 -9.185 -17.926 1.00 0.00 O ATOM 1012 CB ARG A 63 -7.757 -6.244 -18.468 1.00 0.00 C ATOM 1013 CG ARG A 63 -7.655 -6.798 -19.880 1.00 0.00 C ATOM 1014 CD ARG A 63 -8.896 -7.591 -20.258 1.00 0.00 C ATOM 1015 NE ARG A 63 -8.969 -8.865 -19.546 1.00 0.00 N ATOM 1016 CZ ARG A 63 -10.102 -9.526 -19.337 1.00 0.00 C ATOM 1017 NH1 ARG A 63 -11.251 -9.037 -19.783 1.00 0.00 N ATOM 1018 NH2 ARG A 63 -10.087 -10.679 -18.681 1.00 0.00 N ATOM 0 H ARG A 63 -7.950 -5.734 -16.048 1.00 0.00 H new ATOM 0 HA ARG A 63 -8.313 -8.038 -17.423 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -8.746 -5.807 -18.329 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.033 -5.438 -18.350 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.517 -5.978 -20.585 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.776 -7.437 -19.959 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -9.785 -7.000 -20.037 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -8.895 -7.775 -21.332 1.00 0.00 H new ATOM 0 HE ARG A 63 -8.103 -9.269 -19.190 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.266 -8.151 -20.288 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -12.119 -9.547 -19.621 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.205 -11.058 -18.337 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.957 -11.186 -18.521 1.00 0.00 H new ATOM 1032 N ASP A 64 -5.095 -7.247 -17.473 1.00 0.00 N ATOM 1033 CA ASP A 64 -3.759 -7.796 -17.671 1.00 0.00 C ATOM 1034 C ASP A 64 -3.501 -8.955 -16.714 1.00 0.00 C ATOM 1035 O ASP A 64 -3.531 -8.787 -15.495 1.00 0.00 O ATOM 1036 CB ASP A 64 -2.703 -6.708 -17.471 1.00 0.00 C ATOM 1037 CG ASP A 64 -2.744 -5.653 -18.558 1.00 0.00 C ATOM 1038 OD1 ASP A 64 -2.292 -5.944 -19.686 1.00 0.00 O ATOM 1039 OD2 ASP A 64 -3.230 -4.536 -18.283 1.00 0.00 O ATOM 0 H ASP A 64 -5.111 -6.259 -17.219 1.00 0.00 H new ATOM 0 HA ASP A 64 -3.694 -8.171 -18.693 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.855 -6.233 -16.502 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -1.714 -7.166 -17.450 1.00 0.00 H new ATOM 1044 N PHE A 65 -3.247 -10.133 -17.275 1.00 0.00 N ATOM 1045 CA PHE A 65 -2.986 -11.322 -16.472 1.00 0.00 C ATOM 1046 C PHE A 65 -1.773 -12.081 -17.004 1.00 0.00 C ATOM 1047 O PHE A 65 -1.476 -13.190 -16.558 1.00 0.00 O ATOM 1048 CB PHE A 65 -4.212 -12.238 -16.464 1.00 0.00 C ATOM 1049 CG PHE A 65 -5.330 -11.733 -15.598 1.00 0.00 C ATOM 1050 CD1 PHE A 65 -5.156 -11.591 -14.231 1.00 0.00 C ATOM 1051 CD2 PHE A 65 -6.557 -11.401 -16.151 1.00 0.00 C ATOM 1052 CE1 PHE A 65 -6.184 -11.129 -13.431 1.00 0.00 C ATOM 1053 CE2 PHE A 65 -7.588 -10.937 -15.357 1.00 0.00 C ATOM 1054 CZ PHE A 65 -7.401 -10.800 -13.995 1.00 0.00 C ATOM 0 H PHE A 65 -3.216 -10.290 -18.282 1.00 0.00 H new ATOM 0 HA PHE A 65 -2.774 -11.002 -15.452 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.577 -12.353 -17.485 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -3.914 -13.228 -16.119 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.206 -11.844 -13.785 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.709 -11.506 -17.215 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.036 -11.025 -12.366 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.539 -10.682 -15.800 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.205 -10.436 -13.372 1.00 0.00 H new ATOM 1064 N THR A 66 -1.076 -11.476 -17.960 1.00 0.00 N ATOM 1065 CA THR A 66 0.102 -12.094 -18.554 1.00 0.00 C ATOM 1066 C THR A 66 1.359 -11.757 -17.761 1.00 0.00 C ATOM 1067 O THR A 66 2.390 -12.412 -17.905 1.00 0.00 O ATOM 1068 CB THR A 66 0.296 -11.646 -20.015 1.00 0.00 C ATOM 1069 OG1 THR A 66 1.332 -12.418 -20.631 1.00 0.00 O ATOM 1070 CG2 THR A 66 0.647 -10.168 -20.086 1.00 0.00 C ATOM 0 H THR A 66 -1.307 -10.558 -18.340 1.00 0.00 H new ATOM 0 HA THR A 66 -0.062 -13.171 -18.531 1.00 0.00 H new ATOM 0 HB THR A 66 -0.641 -11.806 -20.548 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.070 -12.540 -19.998 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.779 -9.875 -21.128 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.158 -9.581 -19.643 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.572 -9.987 -19.538 1.00 0.00 H new ATOM 1078 N ASN A 67 1.266 -10.730 -16.922 1.00 0.00 N ATOM 1079 CA ASN A 67 2.397 -10.306 -16.104 1.00 0.00 C ATOM 1080 C ASN A 67 2.678 -11.317 -14.997 1.00 0.00 C ATOM 1081 O ASN A 67 3.792 -11.391 -14.478 1.00 0.00 O ATOM 1082 CB ASN A 67 2.125 -8.929 -15.495 1.00 0.00 C ATOM 1083 CG ASN A 67 1.720 -7.905 -16.538 1.00 0.00 C ATOM 1084 OD1 ASN A 67 1.648 -8.211 -17.729 1.00 0.00 O ATOM 1085 ND2 ASN A 67 1.455 -6.682 -16.095 1.00 0.00 N ATOM 0 H ASN A 67 0.420 -10.176 -16.791 1.00 0.00 H new ATOM 0 HA ASN A 67 3.275 -10.245 -16.747 1.00 0.00 H new ATOM 0 HB2 ASN A 67 1.336 -9.015 -14.748 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.018 -8.581 -14.976 1.00 0.00 H new ATOM 0 HD21 ASN A 67 1.179 -5.951 -16.750 1.00 0.00 H new ATOM 0 HD22 ASN A 67 1.528 -6.473 -15.099 1.00 0.00 H new ATOM 1092 N ILE A 68 1.661 -12.095 -14.641 1.00 0.00 N ATOM 1093 CA ILE A 68 1.799 -13.103 -13.597 1.00 0.00 C ATOM 1094 C ILE A 68 1.864 -14.505 -14.193 1.00 0.00 C ATOM 1095 O ILE A 68 1.691 -14.688 -15.398 1.00 0.00 O ATOM 1096 CB ILE A 68 0.632 -13.037 -12.594 1.00 0.00 C ATOM 1097 CG1 ILE A 68 -0.682 -13.414 -13.281 1.00 0.00 C ATOM 1098 CG2 ILE A 68 0.537 -11.648 -11.982 1.00 0.00 C ATOM 1099 CD1 ILE A 68 -1.788 -13.775 -12.314 1.00 0.00 C ATOM 0 H ILE A 68 0.732 -12.046 -15.060 1.00 0.00 H new ATOM 0 HA ILE A 68 2.731 -12.890 -13.073 1.00 0.00 H new ATOM 0 HB ILE A 68 0.820 -13.753 -11.794 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -1.011 -12.580 -13.901 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.505 -14.257 -13.949 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -0.292 -11.618 -11.275 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.466 -11.416 -11.461 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.369 -10.914 -12.770 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -2.689 -14.031 -12.871 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.479 -14.629 -11.711 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.993 -12.926 -11.663 1.00 0.00 H new ATOM 1111 N SER A 69 2.114 -15.493 -13.339 1.00 0.00 N ATOM 1112 CA SER A 69 2.204 -16.880 -13.781 1.00 0.00 C ATOM 1113 C SER A 69 0.910 -17.631 -13.482 1.00 0.00 C ATOM 1114 O SER A 69 0.182 -17.286 -12.552 1.00 0.00 O ATOM 1115 CB SER A 69 3.382 -17.579 -13.099 1.00 0.00 C ATOM 1116 OG SER A 69 4.578 -16.835 -13.257 1.00 0.00 O ATOM 0 H SER A 69 2.258 -15.359 -12.338 1.00 0.00 H new ATOM 0 HA SER A 69 2.364 -16.882 -14.859 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.168 -17.708 -12.038 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.512 -18.576 -13.521 1.00 0.00 H new ATOM 0 HG SER A 69 5.315 -17.302 -12.811 1.00 0.00 H new ATOM 1122 N GLN A 70 0.633 -18.658 -14.278 1.00 0.00 N ATOM 1123 CA GLN A 70 -0.574 -19.458 -14.099 1.00 0.00 C ATOM 1124 C GLN A 70 -0.629 -20.053 -12.696 1.00 0.00 C ATOM 1125 O GLN A 70 0.400 -20.242 -12.050 1.00 0.00 O ATOM 1126 CB GLN A 70 -0.630 -20.575 -15.143 1.00 0.00 C ATOM 1127 CG GLN A 70 0.560 -21.520 -15.087 1.00 0.00 C ATOM 1128 CD GLN A 70 0.237 -22.897 -15.632 1.00 0.00 C ATOM 1129 OE1 GLN A 70 0.546 -23.210 -16.782 1.00 0.00 O ATOM 1130 NE2 GLN A 70 -0.388 -23.729 -14.808 1.00 0.00 N ATOM 0 H GLN A 70 1.226 -18.956 -15.052 1.00 0.00 H new ATOM 0 HA GLN A 70 -1.436 -18.804 -14.230 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.546 -21.149 -15.001 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -0.684 -20.130 -16.137 1.00 0.00 H new ATOM 0 HG2 GLN A 70 1.386 -21.093 -15.656 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.898 -21.612 -14.055 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -0.625 -23.428 -13.863 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -0.631 -24.669 -15.120 1.00 0.00 H new ATOM 1139 N GLY A 71 -1.840 -20.348 -12.231 1.00 0.00 N ATOM 1140 CA GLY A 71 -2.007 -20.918 -10.907 1.00 0.00 C ATOM 1141 C GLY A 71 -1.050 -20.323 -9.894 1.00 0.00 C ATOM 1142 O GLY A 71 -0.146 -21.004 -9.409 1.00 0.00 O ATOM 0 H GLY A 71 -2.707 -20.202 -12.748 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.032 -20.757 -10.572 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -1.854 -21.996 -10.957 1.00 0.00 H new ATOM 1146 N SER A 72 -1.247 -19.048 -9.574 1.00 0.00 N ATOM 1147 CA SER A 72 -0.390 -18.359 -8.616 1.00 0.00 C ATOM 1148 C SER A 72 -1.115 -17.167 -7.998 1.00 0.00 C ATOM 1149 O SER A 72 -1.697 -16.347 -8.705 1.00 0.00 O ATOM 1150 CB SER A 72 0.898 -17.890 -9.296 1.00 0.00 C ATOM 1151 OG SER A 72 1.905 -17.608 -8.341 1.00 0.00 O ATOM 0 H SER A 72 -1.992 -18.471 -9.964 1.00 0.00 H new ATOM 0 HA SER A 72 -0.138 -19.061 -7.821 1.00 0.00 H new ATOM 0 HB2 SER A 72 1.250 -18.658 -9.984 1.00 0.00 H new ATOM 0 HB3 SER A 72 0.696 -16.999 -9.890 1.00 0.00 H new ATOM 0 HG SER A 72 2.718 -17.312 -8.801 1.00 0.00 H new ATOM 1157 N ASN A 73 -1.074 -17.081 -6.672 1.00 0.00 N ATOM 1158 CA ASN A 73 -1.727 -15.990 -5.957 1.00 0.00 C ATOM 1159 C ASN A 73 -1.689 -14.703 -6.776 1.00 0.00 C ATOM 1160 O ASN A 73 -0.707 -13.961 -6.765 1.00 0.00 O ATOM 1161 CB ASN A 73 -1.054 -15.766 -4.602 1.00 0.00 C ATOM 1162 CG ASN A 73 -0.951 -17.042 -3.789 1.00 0.00 C ATOM 1163 OD1 ASN A 73 -0.351 -18.024 -4.228 1.00 0.00 O ATOM 1164 ND2 ASN A 73 -1.537 -17.034 -2.597 1.00 0.00 N ATOM 0 H ASN A 73 -0.596 -17.753 -6.072 1.00 0.00 H new ATOM 0 HA ASN A 73 -2.769 -16.266 -5.796 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -0.056 -15.357 -4.758 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -1.618 -15.023 -4.038 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -1.501 -17.864 -2.005 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.023 -16.198 -2.273 1.00 0.00 H new ATOM 1171 N PRO A 74 -2.784 -14.431 -7.502 1.00 0.00 N ATOM 1172 CA PRO A 74 -2.901 -13.234 -8.338 1.00 0.00 C ATOM 1173 C PRO A 74 -3.013 -11.957 -7.511 1.00 0.00 C ATOM 1174 O PRO A 74 -2.913 -11.990 -6.284 1.00 0.00 O ATOM 1175 CB PRO A 74 -4.191 -13.476 -9.126 1.00 0.00 C ATOM 1176 CG PRO A 74 -4.989 -14.399 -8.271 1.00 0.00 C ATOM 1177 CD PRO A 74 -3.991 -15.272 -7.561 1.00 0.00 C ATOM 0 HA PRO A 74 -2.022 -13.089 -8.966 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -4.725 -12.543 -9.308 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.983 -13.919 -10.100 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -5.598 -13.843 -7.558 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.672 -14.998 -8.874 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.337 -15.550 -6.565 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.809 -16.199 -8.105 1.00 0.00 H new ATOM 1185 N HIS A 75 -3.222 -10.834 -8.191 1.00 0.00 N ATOM 1186 CA HIS A 75 -3.349 -9.546 -7.517 1.00 0.00 C ATOM 1187 C HIS A 75 -4.762 -8.990 -7.671 1.00 0.00 C ATOM 1188 O HIS A 75 -5.628 -9.627 -8.270 1.00 0.00 O ATOM 1189 CB HIS A 75 -2.333 -8.551 -8.078 1.00 0.00 C ATOM 1190 CG HIS A 75 -2.417 -8.382 -9.564 1.00 0.00 C ATOM 1191 ND1 HIS A 75 -2.131 -9.396 -10.454 1.00 0.00 N ATOM 1192 CD2 HIS A 75 -2.760 -7.310 -10.315 1.00 0.00 C ATOM 1193 CE1 HIS A 75 -2.292 -8.954 -11.689 1.00 0.00 C ATOM 1194 NE2 HIS A 75 -2.674 -7.690 -11.632 1.00 0.00 N ATOM 0 H HIS A 75 -3.307 -10.789 -9.206 1.00 0.00 H new ATOM 0 HA HIS A 75 -3.150 -9.697 -6.456 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.484 -7.582 -7.601 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.329 -8.883 -7.815 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -3.048 -6.336 -9.947 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -2.138 -9.528 -12.591 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -2.873 -7.094 -12.435 1.00 0.00 H new ATOM 1203 N CYS A 76 -4.986 -7.799 -7.126 1.00 0.00 N ATOM 1204 CA CYS A 76 -6.294 -7.158 -7.201 1.00 0.00 C ATOM 1205 C CYS A 76 -6.183 -5.769 -7.821 1.00 0.00 C ATOM 1206 O CYS A 76 -7.074 -5.329 -8.548 1.00 0.00 O ATOM 1207 CB CYS A 76 -6.917 -7.060 -5.808 1.00 0.00 C ATOM 1208 SG CYS A 76 -8.468 -6.131 -5.758 1.00 0.00 S ATOM 0 H CYS A 76 -4.279 -7.258 -6.628 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.936 -7.769 -7.836 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.096 -8.067 -5.430 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -6.202 -6.589 -5.134 1.00 0.00 H new ATOM 0 HG CYS A 76 -8.663 -5.549 -6.904 1.00 0.00 H new ATOM 1214 N PHE A 77 -5.085 -5.081 -7.528 1.00 0.00 N ATOM 1215 CA PHE A 77 -4.858 -3.740 -8.054 1.00 0.00 C ATOM 1216 C PHE A 77 -3.373 -3.499 -8.307 1.00 0.00 C ATOM 1217 O PHE A 77 -2.520 -4.218 -7.788 1.00 0.00 O ATOM 1218 CB PHE A 77 -5.399 -2.690 -7.082 1.00 0.00 C ATOM 1219 CG PHE A 77 -4.598 -2.575 -5.816 1.00 0.00 C ATOM 1220 CD1 PHE A 77 -4.896 -3.365 -4.718 1.00 0.00 C ATOM 1221 CD2 PHE A 77 -3.547 -1.676 -5.726 1.00 0.00 C ATOM 1222 CE1 PHE A 77 -4.160 -3.262 -3.552 1.00 0.00 C ATOM 1223 CE2 PHE A 77 -2.808 -1.569 -4.563 1.00 0.00 C ATOM 1224 CZ PHE A 77 -3.115 -2.362 -3.474 1.00 0.00 C ATOM 0 H PHE A 77 -4.337 -5.430 -6.928 1.00 0.00 H new ATOM 0 HA PHE A 77 -5.388 -3.654 -9.002 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.417 -1.721 -7.580 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -6.430 -2.938 -6.829 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.713 -4.070 -4.773 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.303 -1.053 -6.573 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.402 -3.884 -2.703 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.991 -0.866 -4.505 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.539 -2.278 -2.564 1.00 0.00 H new ATOM 1234 N GLU A 78 -3.073 -2.481 -9.108 1.00 0.00 N ATOM 1235 CA GLU A 78 -1.691 -2.146 -9.431 1.00 0.00 C ATOM 1236 C GLU A 78 -1.451 -0.645 -9.300 1.00 0.00 C ATOM 1237 O GLU A 78 -2.232 0.166 -9.801 1.00 0.00 O ATOM 1238 CB GLU A 78 -1.350 -2.606 -10.850 1.00 0.00 C ATOM 1239 CG GLU A 78 -2.049 -3.892 -11.258 1.00 0.00 C ATOM 1240 CD GLU A 78 -1.679 -4.338 -12.659 1.00 0.00 C ATOM 1241 OE1 GLU A 78 -0.798 -3.699 -13.271 1.00 0.00 O ATOM 1242 OE2 GLU A 78 -2.271 -5.324 -13.144 1.00 0.00 O ATOM 0 H GLU A 78 -3.768 -1.875 -9.545 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.043 -2.664 -8.723 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.619 -1.818 -11.553 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.272 -2.748 -10.928 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.793 -4.680 -10.550 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.128 -3.749 -11.199 1.00 0.00 H new ATOM 1249 N ILE A 79 -0.367 -0.282 -8.623 1.00 0.00 N ATOM 1250 CA ILE A 79 -0.023 1.121 -8.426 1.00 0.00 C ATOM 1251 C ILE A 79 0.927 1.612 -9.513 1.00 0.00 C ATOM 1252 O ILE A 79 2.097 1.229 -9.548 1.00 0.00 O ATOM 1253 CB ILE A 79 0.626 1.353 -7.049 1.00 0.00 C ATOM 1254 CG1 ILE A 79 -0.228 0.724 -5.946 1.00 0.00 C ATOM 1255 CG2 ILE A 79 0.814 2.842 -6.797 1.00 0.00 C ATOM 1256 CD1 ILE A 79 0.528 0.492 -4.656 1.00 0.00 C ATOM 0 H ILE A 79 0.288 -0.940 -8.201 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.954 1.685 -8.479 1.00 0.00 H new ATOM 0 HB ILE A 79 1.606 0.876 -7.040 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.083 1.370 -5.746 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.624 -0.227 -6.302 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.274 2.990 -5.820 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.458 3.263 -7.569 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.155 3.340 -6.821 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.139 0.044 -3.919 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.367 -0.179 -4.841 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.901 1.443 -4.277 1.00 0.00 H new ATOM 1268 N ILE A 80 0.417 2.463 -10.397 1.00 0.00 N ATOM 1269 CA ILE A 80 1.221 3.009 -11.483 1.00 0.00 C ATOM 1270 C ILE A 80 1.935 4.285 -11.050 1.00 0.00 C ATOM 1271 O ILE A 80 1.301 5.253 -10.629 1.00 0.00 O ATOM 1272 CB ILE A 80 0.360 3.311 -12.723 1.00 0.00 C ATOM 1273 CG1 ILE A 80 -0.162 2.011 -13.338 1.00 0.00 C ATOM 1274 CG2 ILE A 80 1.163 4.102 -13.746 1.00 0.00 C ATOM 1275 CD1 ILE A 80 -1.451 1.523 -12.715 1.00 0.00 C ATOM 0 H ILE A 80 -0.549 2.789 -10.382 1.00 0.00 H new ATOM 0 HA ILE A 80 1.961 2.251 -11.741 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.494 3.914 -12.415 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.318 2.161 -14.406 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.599 1.238 -13.233 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.541 4.308 -14.617 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.490 5.043 -13.303 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.034 3.523 -14.051 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.762 0.598 -13.200 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.295 1.341 -11.652 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.226 2.278 -12.844 1.00 0.00 H new ATOM 1287 N THR A 81 3.260 4.280 -11.159 1.00 0.00 N ATOM 1288 CA THR A 81 4.062 5.437 -10.780 1.00 0.00 C ATOM 1289 C THR A 81 4.952 5.890 -11.931 1.00 0.00 C ATOM 1290 O THR A 81 5.538 5.068 -12.636 1.00 0.00 O ATOM 1291 CB THR A 81 4.944 5.132 -9.554 1.00 0.00 C ATOM 1292 OG1 THR A 81 5.842 4.057 -9.851 1.00 0.00 O ATOM 1293 CG2 THR A 81 4.088 4.766 -8.350 1.00 0.00 C ATOM 0 H THR A 81 3.800 3.488 -11.507 1.00 0.00 H new ATOM 0 HA THR A 81 3.364 6.236 -10.527 1.00 0.00 H new ATOM 0 HB THR A 81 5.517 6.028 -9.315 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.760 4.332 -9.648 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.732 4.555 -7.496 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.426 5.597 -8.108 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.492 3.883 -8.582 1.00 0.00 H new ATOM 1301 N ASP A 82 5.050 7.202 -12.116 1.00 0.00 N ATOM 1302 CA ASP A 82 5.871 7.765 -13.182 1.00 0.00 C ATOM 1303 C ASP A 82 7.143 6.945 -13.378 1.00 0.00 C ATOM 1304 O ASP A 82 7.686 6.876 -14.481 1.00 0.00 O ATOM 1305 CB ASP A 82 6.229 9.218 -12.865 1.00 0.00 C ATOM 1306 CG ASP A 82 5.199 10.196 -13.395 1.00 0.00 C ATOM 1307 OD1 ASP A 82 4.815 10.072 -14.576 1.00 0.00 O ATOM 1308 OD2 ASP A 82 4.778 11.086 -12.627 1.00 0.00 O ATOM 0 H ASP A 82 4.571 7.896 -11.542 1.00 0.00 H new ATOM 0 HA ASP A 82 5.295 7.735 -14.107 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.320 9.340 -11.786 1.00 0.00 H new ATOM 0 HB3 ASP A 82 7.203 9.452 -13.295 1.00 0.00 H new ATOM 1313 N THR A 83 7.615 6.326 -12.300 1.00 0.00 N ATOM 1314 CA THR A 83 8.824 5.514 -12.353 1.00 0.00 C ATOM 1315 C THR A 83 8.547 4.157 -12.991 1.00 0.00 C ATOM 1316 O THR A 83 8.973 3.891 -14.114 1.00 0.00 O ATOM 1317 CB THR A 83 9.416 5.296 -10.948 1.00 0.00 C ATOM 1318 OG1 THR A 83 8.382 4.917 -10.033 1.00 0.00 O ATOM 1319 CG2 THR A 83 10.103 6.559 -10.449 1.00 0.00 C ATOM 0 H THR A 83 7.178 6.372 -11.380 1.00 0.00 H new ATOM 0 HA THR A 83 9.545 6.059 -12.963 1.00 0.00 H new ATOM 0 HB THR A 83 10.156 4.498 -11.010 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.768 4.779 -9.143 1.00 0.00 H new ATOM 0 HG21 THR A 83 10.513 6.381 -9.455 1.00 0.00 H new ATOM 0 HG22 THR A 83 10.909 6.829 -11.132 1.00 0.00 H new ATOM 0 HG23 THR A 83 9.379 7.373 -10.403 1.00 0.00 H new ATOM 1327 N MET A 84 7.830 3.304 -12.267 1.00 0.00 N ATOM 1328 CA MET A 84 7.495 1.974 -12.765 1.00 0.00 C ATOM 1329 C MET A 84 6.122 1.537 -12.266 1.00 0.00 C ATOM 1330 O MET A 84 5.531 2.182 -11.399 1.00 0.00 O ATOM 1331 CB MET A 84 8.555 0.961 -12.329 1.00 0.00 C ATOM 1332 CG MET A 84 9.725 0.852 -13.294 1.00 0.00 C ATOM 1333 SD MET A 84 11.024 -0.242 -12.690 1.00 0.00 S ATOM 1334 CE MET A 84 10.267 -1.844 -12.953 1.00 0.00 C ATOM 0 H MET A 84 7.470 3.509 -11.335 1.00 0.00 H new ATOM 0 HA MET A 84 7.470 2.017 -13.854 1.00 0.00 H new ATOM 0 HB2 MET A 84 8.931 1.242 -11.345 1.00 0.00 H new ATOM 0 HB3 MET A 84 8.088 -0.019 -12.224 1.00 0.00 H new ATOM 0 HG2 MET A 84 9.365 0.486 -14.255 1.00 0.00 H new ATOM 0 HG3 MET A 84 10.142 1.844 -13.467 1.00 0.00 H new ATOM 0 HE1 MET A 84 10.971 -2.629 -12.677 1.00 0.00 H new ATOM 0 HE2 MET A 84 9.370 -1.928 -12.339 1.00 0.00 H new ATOM 0 HE3 MET A 84 9.998 -1.951 -14.004 1.00 0.00 H new ATOM 1344 N VAL A 85 5.618 0.438 -12.818 1.00 0.00 N ATOM 1345 CA VAL A 85 4.314 -0.085 -12.428 1.00 0.00 C ATOM 1346 C VAL A 85 4.447 -1.113 -11.310 1.00 0.00 C ATOM 1347 O VAL A 85 5.223 -2.063 -11.415 1.00 0.00 O ATOM 1348 CB VAL A 85 3.589 -0.733 -13.623 1.00 0.00 C ATOM 1349 CG1 VAL A 85 2.242 -1.291 -13.191 1.00 0.00 C ATOM 1350 CG2 VAL A 85 3.423 0.271 -14.753 1.00 0.00 C ATOM 0 H VAL A 85 6.093 -0.108 -13.537 1.00 0.00 H new ATOM 0 HA VAL A 85 3.727 0.761 -12.072 1.00 0.00 H new ATOM 0 HB VAL A 85 4.197 -1.560 -13.990 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.744 -1.745 -14.048 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.391 -2.044 -12.417 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.623 -0.484 -12.797 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.909 -0.204 -15.589 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.837 1.120 -14.402 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.404 0.617 -15.079 1.00 0.00 H new ATOM 1360 N TYR A 86 3.684 -0.917 -10.240 1.00 0.00 N ATOM 1361 CA TYR A 86 3.718 -1.826 -9.101 1.00 0.00 C ATOM 1362 C TYR A 86 2.461 -2.690 -9.056 1.00 0.00 C ATOM 1363 O TYR A 86 1.373 -2.243 -9.418 1.00 0.00 O ATOM 1364 CB TYR A 86 3.855 -1.038 -7.797 1.00 0.00 C ATOM 1365 CG TYR A 86 5.032 -0.089 -7.784 1.00 0.00 C ATOM 1366 CD1 TYR A 86 6.116 -0.284 -8.630 1.00 0.00 C ATOM 1367 CD2 TYR A 86 5.059 1.003 -6.925 1.00 0.00 C ATOM 1368 CE1 TYR A 86 7.194 0.580 -8.621 1.00 0.00 C ATOM 1369 CE2 TYR A 86 6.132 1.874 -6.911 1.00 0.00 C ATOM 1370 CZ TYR A 86 7.197 1.658 -7.760 1.00 0.00 C ATOM 1371 OH TYR A 86 8.268 2.521 -7.748 1.00 0.00 O ATOM 0 H TYR A 86 3.035 -0.137 -10.138 1.00 0.00 H new ATOM 0 HA TYR A 86 4.583 -2.480 -9.216 1.00 0.00 H new ATOM 0 HB2 TYR A 86 2.940 -0.471 -7.627 1.00 0.00 H new ATOM 0 HB3 TYR A 86 3.955 -1.738 -6.968 1.00 0.00 H new ATOM 0 HD1 TYR A 86 6.116 -1.126 -9.307 1.00 0.00 H new ATOM 0 HD2 TYR A 86 4.228 1.174 -6.257 1.00 0.00 H new ATOM 0 HE1 TYR A 86 8.030 0.412 -9.284 1.00 0.00 H new ATOM 0 HE2 TYR A 86 6.136 2.719 -6.239 1.00 0.00 H new ATOM 0 HH TYR A 86 8.112 3.227 -7.086 1.00 0.00 H new ATOM 1381 N PHE A 87 2.621 -3.932 -8.610 1.00 0.00 N ATOM 1382 CA PHE A 87 1.500 -4.860 -8.517 1.00 0.00 C ATOM 1383 C PHE A 87 1.297 -5.325 -7.078 1.00 0.00 C ATOM 1384 O PHE A 87 2.122 -6.053 -6.526 1.00 0.00 O ATOM 1385 CB PHE A 87 1.735 -6.068 -9.427 1.00 0.00 C ATOM 1386 CG PHE A 87 1.980 -5.699 -10.862 1.00 0.00 C ATOM 1387 CD1 PHE A 87 3.231 -5.272 -11.277 1.00 0.00 C ATOM 1388 CD2 PHE A 87 0.960 -5.780 -11.796 1.00 0.00 C ATOM 1389 CE1 PHE A 87 3.459 -4.930 -12.597 1.00 0.00 C ATOM 1390 CE2 PHE A 87 1.182 -5.440 -13.117 1.00 0.00 C ATOM 1391 CZ PHE A 87 2.434 -5.016 -13.519 1.00 0.00 C ATOM 0 H PHE A 87 3.515 -4.319 -8.308 1.00 0.00 H new ATOM 0 HA PHE A 87 0.600 -4.338 -8.842 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.590 -6.633 -9.054 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.869 -6.728 -9.373 1.00 0.00 H new ATOM 0 HD1 PHE A 87 4.037 -5.206 -10.561 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.020 -6.113 -11.488 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.438 -4.596 -12.907 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.377 -5.506 -13.835 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.611 -4.753 -14.551 1.00 0.00 H new ATOM 1401 N VAL A 88 0.191 -4.899 -6.476 1.00 0.00 N ATOM 1402 CA VAL A 88 -0.123 -5.271 -5.102 1.00 0.00 C ATOM 1403 C VAL A 88 -1.392 -6.113 -5.036 1.00 0.00 C ATOM 1404 O VAL A 88 -2.358 -5.854 -5.752 1.00 0.00 O ATOM 1405 CB VAL A 88 -0.298 -4.028 -4.209 1.00 0.00 C ATOM 1406 CG1 VAL A 88 -0.433 -4.432 -2.749 1.00 0.00 C ATOM 1407 CG2 VAL A 88 0.867 -3.068 -4.399 1.00 0.00 C ATOM 0 H VAL A 88 -0.502 -4.296 -6.919 1.00 0.00 H new ATOM 0 HA VAL A 88 0.718 -5.858 -4.734 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.214 -3.516 -4.505 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.556 -3.540 -2.135 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.303 -5.078 -2.629 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.463 -4.968 -2.436 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.727 -2.195 -3.761 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.798 -3.568 -4.131 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.912 -2.752 -5.441 1.00 0.00 H new ATOM 1417 N GLY A 89 -1.382 -7.122 -4.171 1.00 0.00 N ATOM 1418 CA GLY A 89 -2.539 -7.987 -4.027 1.00 0.00 C ATOM 1419 C GLY A 89 -2.155 -9.443 -3.849 1.00 0.00 C ATOM 1420 O GLY A 89 -1.307 -9.961 -4.575 1.00 0.00 O ATOM 0 H GLY A 89 -0.594 -7.356 -3.567 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.127 -7.662 -3.169 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.175 -7.887 -4.906 1.00 0.00 H new ATOM 1424 N GLU A 90 -2.781 -10.104 -2.880 1.00 0.00 N ATOM 1425 CA GLU A 90 -2.498 -11.508 -2.608 1.00 0.00 C ATOM 1426 C GLU A 90 -3.790 -12.296 -2.412 1.00 0.00 C ATOM 1427 O GLU A 90 -4.423 -12.218 -1.360 1.00 0.00 O ATOM 1428 CB GLU A 90 -1.613 -11.642 -1.367 1.00 0.00 C ATOM 1429 CG GLU A 90 -1.468 -13.072 -0.874 1.00 0.00 C ATOM 1430 CD GLU A 90 -0.181 -13.296 -0.105 1.00 0.00 C ATOM 1431 OE1 GLU A 90 0.151 -12.453 0.755 1.00 0.00 O ATOM 1432 OE2 GLU A 90 0.495 -14.314 -0.363 1.00 0.00 O ATOM 0 H GLU A 90 -3.487 -9.690 -2.271 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.970 -11.918 -3.468 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.624 -11.242 -1.591 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.030 -11.031 -0.566 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.316 -13.320 -0.236 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -1.501 -13.751 -1.726 1.00 0.00 H new ATOM 1439 N ASN A 91 -4.175 -13.053 -3.434 1.00 0.00 N ATOM 1440 CA ASN A 91 -5.392 -13.855 -3.376 1.00 0.00 C ATOM 1441 C ASN A 91 -5.067 -15.318 -3.093 1.00 0.00 C ATOM 1442 O ASN A 91 -4.436 -15.992 -3.906 1.00 0.00 O ATOM 1443 CB ASN A 91 -6.168 -13.737 -4.689 1.00 0.00 C ATOM 1444 CG ASN A 91 -6.337 -12.298 -5.135 1.00 0.00 C ATOM 1445 OD1 ASN A 91 -5.584 -11.804 -5.975 1.00 0.00 O ATOM 1446 ND2 ASN A 91 -7.328 -11.616 -4.572 1.00 0.00 N ATOM 0 H ASN A 91 -3.662 -13.128 -4.312 1.00 0.00 H new ATOM 0 HA ASN A 91 -6.009 -13.475 -2.562 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -5.648 -14.296 -5.466 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -7.150 -14.195 -4.570 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -7.489 -10.643 -4.832 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -7.928 -12.065 -3.880 1.00 0.00 H new ATOM 1453 N ASN A 92 -5.504 -15.803 -1.935 1.00 0.00 N ATOM 1454 CA ASN A 92 -5.259 -17.186 -1.544 1.00 0.00 C ATOM 1455 C ASN A 92 -6.419 -18.083 -1.966 1.00 0.00 C ATOM 1456 O ASN A 92 -6.227 -19.078 -2.664 1.00 0.00 O ATOM 1457 CB ASN A 92 -5.049 -17.282 -0.032 1.00 0.00 C ATOM 1458 CG ASN A 92 -6.218 -16.715 0.751 1.00 0.00 C ATOM 1459 OD1 ASN A 92 -6.710 -15.627 0.453 1.00 0.00 O ATOM 1460 ND2 ASN A 92 -6.668 -17.454 1.759 1.00 0.00 N ATOM 0 H ASN A 92 -6.030 -15.258 -1.251 1.00 0.00 H new ATOM 0 HA ASN A 92 -4.356 -17.526 -2.051 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -4.901 -18.325 0.246 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -4.139 -16.747 0.240 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -7.452 -17.125 2.322 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -6.229 -18.350 1.970 1.00 0.00 H new ATOM 1467 N GLY A 93 -7.625 -17.723 -1.536 1.00 0.00 N ATOM 1468 CA GLY A 93 -8.798 -18.506 -1.879 1.00 0.00 C ATOM 1469 C GLY A 93 -9.379 -19.234 -0.683 1.00 0.00 C ATOM 1470 O GLY A 93 -9.540 -20.454 -0.709 1.00 0.00 O ATOM 0 H GLY A 93 -7.810 -16.904 -0.957 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -9.557 -17.850 -2.305 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -8.535 -19.231 -2.649 1.00 0.00 H new ATOM 1474 N ASP A 94 -9.693 -18.485 0.368 1.00 0.00 N ATOM 1475 CA ASP A 94 -10.258 -19.067 1.580 1.00 0.00 C ATOM 1476 C ASP A 94 -11.508 -18.309 2.015 1.00 0.00 C ATOM 1477 O ASP A 94 -11.903 -17.328 1.384 1.00 0.00 O ATOM 1478 CB ASP A 94 -9.224 -19.059 2.706 1.00 0.00 C ATOM 1479 CG ASP A 94 -9.549 -20.058 3.799 1.00 0.00 C ATOM 1480 OD1 ASP A 94 -10.023 -21.165 3.468 1.00 0.00 O ATOM 1481 OD2 ASP A 94 -9.332 -19.733 4.985 1.00 0.00 O ATOM 0 H ASP A 94 -9.566 -17.474 0.405 1.00 0.00 H new ATOM 0 HA ASP A 94 -10.537 -20.098 1.362 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -8.240 -19.284 2.293 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -9.168 -18.059 3.137 1.00 0.00 H new ATOM 1486 N SER A 95 -12.127 -18.769 3.097 1.00 0.00 N ATOM 1487 CA SER A 95 -13.335 -18.137 3.614 1.00 0.00 C ATOM 1488 C SER A 95 -13.126 -16.637 3.801 1.00 0.00 C ATOM 1489 O SER A 95 -12.039 -16.116 3.556 1.00 0.00 O ATOM 1490 CB SER A 95 -13.742 -18.776 4.943 1.00 0.00 C ATOM 1491 OG SER A 95 -12.885 -18.360 5.992 1.00 0.00 O ATOM 0 H SER A 95 -11.812 -19.578 3.633 1.00 0.00 H new ATOM 0 HA SER A 95 -14.133 -18.287 2.887 1.00 0.00 H new ATOM 0 HB2 SER A 95 -14.771 -18.505 5.180 1.00 0.00 H new ATOM 0 HB3 SER A 95 -13.711 -19.862 4.853 1.00 0.00 H new ATOM 0 HG SER A 95 -13.167 -18.781 6.831 1.00 0.00 H new ATOM 1497 N SER A 96 -14.177 -15.950 4.236 1.00 0.00 N ATOM 1498 CA SER A 96 -14.112 -14.509 4.452 1.00 0.00 C ATOM 1499 C SER A 96 -14.329 -14.170 5.924 1.00 0.00 C ATOM 1500 O SER A 96 -14.589 -15.051 6.744 1.00 0.00 O ATOM 1501 CB SER A 96 -15.157 -13.795 3.593 1.00 0.00 C ATOM 1502 OG SER A 96 -14.801 -12.440 3.378 1.00 0.00 O ATOM 0 H SER A 96 -15.084 -16.368 4.446 1.00 0.00 H new ATOM 0 HA SER A 96 -13.119 -14.168 4.161 1.00 0.00 H new ATOM 0 HB2 SER A 96 -15.255 -14.305 2.635 1.00 0.00 H new ATOM 0 HB3 SER A 96 -16.130 -13.846 4.082 1.00 0.00 H new ATOM 0 HG SER A 96 -15.484 -12.006 2.825 1.00 0.00 H new ATOM 1508 N HIS A 97 -14.220 -12.886 6.252 1.00 0.00 N ATOM 1509 CA HIS A 97 -14.404 -12.429 7.624 1.00 0.00 C ATOM 1510 C HIS A 97 -13.376 -13.068 8.553 1.00 0.00 C ATOM 1511 O HIS A 97 -13.723 -13.603 9.605 1.00 0.00 O ATOM 1512 CB HIS A 97 -15.817 -12.758 8.108 1.00 0.00 C ATOM 1513 CG HIS A 97 -16.815 -11.679 7.818 1.00 0.00 C ATOM 1514 ND1 HIS A 97 -18.133 -11.937 7.503 1.00 0.00 N ATOM 1515 CD2 HIS A 97 -16.682 -10.332 7.798 1.00 0.00 C ATOM 1516 CE1 HIS A 97 -18.766 -10.795 7.301 1.00 0.00 C ATOM 1517 NE2 HIS A 97 -17.909 -9.806 7.474 1.00 0.00 N ATOM 0 H HIS A 97 -14.005 -12.144 5.586 1.00 0.00 H new ATOM 0 HA HIS A 97 -14.263 -11.348 7.642 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -16.147 -13.684 7.637 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -15.791 -12.939 9.183 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -15.779 -9.775 7.999 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -19.808 -10.689 7.039 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -18.123 -8.813 7.382 1.00 0.00 H new ATOM 1526 N ASN A 98 -12.109 -13.007 8.155 1.00 0.00 N ATOM 1527 CA ASN A 98 -11.030 -13.581 8.951 1.00 0.00 C ATOM 1528 C ASN A 98 -10.104 -12.489 9.480 1.00 0.00 C ATOM 1529 O ASN A 98 -9.042 -12.216 8.920 1.00 0.00 O ATOM 1530 CB ASN A 98 -10.230 -14.583 8.117 1.00 0.00 C ATOM 1531 CG ASN A 98 -11.077 -15.260 7.057 1.00 0.00 C ATOM 1532 OD1 ASN A 98 -12.260 -15.529 7.271 1.00 0.00 O ATOM 1533 ND2 ASN A 98 -10.475 -15.540 5.907 1.00 0.00 N ATOM 0 H ASN A 98 -11.805 -12.566 7.287 1.00 0.00 H new ATOM 0 HA ASN A 98 -11.475 -14.099 9.801 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -9.396 -14.069 7.638 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -9.803 -15.340 8.775 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -10.995 -15.996 5.157 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -9.493 -15.299 5.774 1.00 0.00 H new ATOM 1540 N PRO A 99 -10.515 -11.849 10.585 1.00 0.00 N ATOM 1541 CA PRO A 99 -9.738 -10.778 11.214 1.00 0.00 C ATOM 1542 C PRO A 99 -8.462 -11.296 11.870 1.00 0.00 C ATOM 1543 O PRO A 99 -7.709 -10.532 12.475 1.00 0.00 O ATOM 1544 CB PRO A 99 -10.694 -10.220 12.271 1.00 0.00 C ATOM 1545 CG PRO A 99 -11.614 -11.349 12.585 1.00 0.00 C ATOM 1546 CD PRO A 99 -11.770 -12.122 11.305 1.00 0.00 C ATOM 0 HA PRO A 99 -9.404 -10.037 10.488 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -10.154 -9.891 13.159 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -11.242 -9.357 11.893 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -11.204 -11.979 13.374 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -12.577 -10.981 12.939 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -11.902 -13.188 11.493 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -12.639 -11.789 10.738 1.00 0.00 H new ATOM 1554 N VAL A 100 -8.226 -12.598 11.747 1.00 0.00 N ATOM 1555 CA VAL A 100 -7.040 -13.218 12.326 1.00 0.00 C ATOM 1556 C VAL A 100 -5.933 -13.364 11.288 1.00 0.00 C ATOM 1557 O VAL A 100 -4.776 -13.030 11.547 1.00 0.00 O ATOM 1558 CB VAL A 100 -7.362 -14.604 12.915 1.00 0.00 C ATOM 1559 CG1 VAL A 100 -6.099 -15.269 13.439 1.00 0.00 C ATOM 1560 CG2 VAL A 100 -8.408 -14.485 14.014 1.00 0.00 C ATOM 0 H VAL A 100 -8.840 -13.244 11.252 1.00 0.00 H new ATOM 0 HA VAL A 100 -6.699 -12.561 13.126 1.00 0.00 H new ATOM 0 HB VAL A 100 -7.770 -15.231 12.122 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -6.347 -16.247 13.851 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -5.386 -15.389 12.623 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -5.658 -14.648 14.219 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -8.624 -15.474 14.419 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -8.030 -13.842 14.808 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -9.321 -14.054 13.602 1.00 0.00 H new ATOM 1570 N LEU A 101 -6.295 -13.864 10.112 1.00 0.00 N ATOM 1571 CA LEU A 101 -5.332 -14.054 9.033 1.00 0.00 C ATOM 1572 C LEU A 101 -5.265 -12.820 8.139 1.00 0.00 C ATOM 1573 O LEU A 101 -4.187 -12.413 7.707 1.00 0.00 O ATOM 1574 CB LEU A 101 -5.706 -15.281 8.199 1.00 0.00 C ATOM 1575 CG LEU A 101 -6.649 -15.031 7.022 1.00 0.00 C ATOM 1576 CD1 LEU A 101 -5.918 -14.320 5.894 1.00 0.00 C ATOM 1577 CD2 LEU A 101 -7.248 -16.341 6.530 1.00 0.00 C ATOM 0 H LEU A 101 -7.248 -14.145 9.881 1.00 0.00 H new ATOM 0 HA LEU A 101 -4.350 -14.211 9.480 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.789 -15.728 7.815 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.167 -16.017 8.858 1.00 0.00 H new ATOM 0 HG LEU A 101 -7.461 -14.389 7.362 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -6.605 -14.151 5.065 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -5.539 -13.363 6.252 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -5.085 -14.936 5.555 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -7.917 -16.143 5.692 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -6.449 -17.008 6.207 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -7.808 -16.811 7.338 1.00 0.00 H new ATOM 1589 N ALA A 102 -6.423 -12.227 7.869 1.00 0.00 N ATOM 1590 CA ALA A 102 -6.496 -11.037 7.031 1.00 0.00 C ATOM 1591 C ALA A 102 -5.729 -9.877 7.658 1.00 0.00 C ATOM 1592 O ALA A 102 -5.422 -8.890 6.990 1.00 0.00 O ATOM 1593 CB ALA A 102 -7.947 -10.646 6.794 1.00 0.00 C ATOM 0 H ALA A 102 -7.324 -12.552 8.219 1.00 0.00 H new ATOM 0 HA ALA A 102 -6.033 -11.269 6.072 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -7.986 -9.756 6.167 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -8.468 -11.464 6.296 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -8.428 -10.438 7.750 1.00 0.00 H new ATOM 1599 N ALA A 103 -5.424 -10.002 8.945 1.00 0.00 N ATOM 1600 CA ALA A 103 -4.693 -8.965 9.662 1.00 0.00 C ATOM 1601 C ALA A 103 -3.369 -8.651 8.972 1.00 0.00 C ATOM 1602 O ALA A 103 -2.951 -7.495 8.905 1.00 0.00 O ATOM 1603 CB ALA A 103 -4.452 -9.388 11.103 1.00 0.00 C ATOM 0 H ALA A 103 -5.672 -10.812 9.513 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.299 -8.059 9.658 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -3.905 -8.603 11.626 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -5.409 -9.555 11.598 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -3.869 -10.309 11.119 1.00 0.00 H new ATOM 1609 N THR A 104 -2.713 -9.688 8.462 1.00 0.00 N ATOM 1610 CA THR A 104 -1.435 -9.523 7.779 1.00 0.00 C ATOM 1611 C THR A 104 -1.631 -8.962 6.375 1.00 0.00 C ATOM 1612 O THR A 104 -1.281 -7.815 6.101 1.00 0.00 O ATOM 1613 CB THR A 104 -0.672 -10.857 7.684 1.00 0.00 C ATOM 1614 OG1 THR A 104 -1.473 -11.832 7.007 1.00 0.00 O ATOM 1615 CG2 THR A 104 -0.304 -11.370 9.069 1.00 0.00 C ATOM 0 H THR A 104 -3.045 -10.651 8.509 1.00 0.00 H new ATOM 0 HA THR A 104 -0.849 -8.820 8.371 1.00 0.00 H new ATOM 0 HB THR A 104 0.246 -10.686 7.121 1.00 0.00 H new ATOM 0 HG1 THR A 104 -2.309 -11.967 7.499 1.00 0.00 H new ATOM 0 HG21 THR A 104 0.234 -12.313 8.976 1.00 0.00 H new ATOM 0 HG22 THR A 104 0.329 -10.639 9.571 1.00 0.00 H new ATOM 0 HG23 THR A 104 -1.212 -11.526 9.652 1.00 0.00 H new ATOM 1623 N GLY A 105 -2.193 -9.778 5.489 1.00 0.00 N ATOM 1624 CA GLY A 105 -2.425 -9.345 4.124 1.00 0.00 C ATOM 1625 C GLY A 105 -2.525 -10.507 3.156 1.00 0.00 C ATOM 1626 O GLY A 105 -2.071 -10.414 2.015 1.00 0.00 O ATOM 0 H GLY A 105 -2.492 -10.732 5.692 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -3.345 -8.762 4.083 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -1.615 -8.686 3.813 1.00 0.00 H new ATOM 1630 N VAL A 106 -3.119 -11.605 3.611 1.00 0.00 N ATOM 1631 CA VAL A 106 -3.276 -12.791 2.777 1.00 0.00 C ATOM 1632 C VAL A 106 -4.728 -12.974 2.350 1.00 0.00 C ATOM 1633 O VAL A 106 -5.532 -13.554 3.080 1.00 0.00 O ATOM 1634 CB VAL A 106 -2.804 -14.060 3.511 1.00 0.00 C ATOM 1635 CG1 VAL A 106 -3.060 -15.295 2.661 1.00 0.00 C ATOM 1636 CG2 VAL A 106 -1.331 -13.948 3.873 1.00 0.00 C ATOM 0 H VAL A 106 -3.500 -11.698 4.553 1.00 0.00 H new ATOM 0 HA VAL A 106 -2.657 -12.641 1.893 1.00 0.00 H new ATOM 0 HB VAL A 106 -3.375 -14.159 4.434 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.720 -16.182 3.196 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -4.127 -15.381 2.457 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.516 -15.208 1.720 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.014 -14.853 4.391 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.741 -13.824 2.965 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -1.181 -13.086 4.523 1.00 0.00 H new ATOM 1646 N GLY A 107 -5.058 -12.476 1.163 1.00 0.00 N ATOM 1647 CA GLY A 107 -6.414 -12.595 0.659 1.00 0.00 C ATOM 1648 C GLY A 107 -6.891 -11.330 -0.026 1.00 0.00 C ATOM 1649 O GLY A 107 -6.135 -10.367 -0.166 1.00 0.00 O ATOM 0 H GLY A 107 -4.411 -11.992 0.541 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -6.465 -13.427 -0.044 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.085 -12.833 1.484 1.00 0.00 H new ATOM 1653 N LEU A 108 -8.149 -11.330 -0.455 1.00 0.00 N ATOM 1654 CA LEU A 108 -8.726 -10.173 -1.131 1.00 0.00 C ATOM 1655 C LEU A 108 -9.370 -9.222 -0.128 1.00 0.00 C ATOM 1656 O LEU A 108 -9.186 -8.007 -0.204 1.00 0.00 O ATOM 1657 CB LEU A 108 -9.763 -10.625 -2.161 1.00 0.00 C ATOM 1658 CG LEU A 108 -10.641 -9.524 -2.757 1.00 0.00 C ATOM 1659 CD1 LEU A 108 -9.873 -8.741 -3.811 1.00 0.00 C ATOM 1660 CD2 LEU A 108 -11.911 -10.117 -3.351 1.00 0.00 C ATOM 0 H LEU A 108 -8.788 -12.118 -0.347 1.00 0.00 H new ATOM 0 HA LEU A 108 -7.922 -9.643 -1.642 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -9.241 -11.127 -2.976 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.411 -11.366 -1.693 1.00 0.00 H new ATOM 0 HG LEU A 108 -10.923 -8.838 -1.958 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -10.514 -7.962 -4.224 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -8.994 -8.285 -3.356 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -9.561 -9.415 -4.609 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -12.524 -9.319 -3.770 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -11.649 -10.825 -4.137 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -12.471 -10.633 -2.571 1.00 0.00 H new ATOM 1672 N ASP A 109 -10.124 -9.782 0.811 1.00 0.00 N ATOM 1673 CA ASP A 109 -10.793 -8.984 1.832 1.00 0.00 C ATOM 1674 C ASP A 109 -9.864 -7.900 2.369 1.00 0.00 C ATOM 1675 O ASP A 109 -10.259 -6.743 2.510 1.00 0.00 O ATOM 1676 CB ASP A 109 -11.270 -9.878 2.977 1.00 0.00 C ATOM 1677 CG ASP A 109 -12.517 -10.662 2.619 1.00 0.00 C ATOM 1678 OD1 ASP A 109 -12.388 -11.711 1.955 1.00 0.00 O ATOM 1679 OD2 ASP A 109 -13.623 -10.226 3.002 1.00 0.00 O ATOM 0 H ASP A 109 -10.287 -10.786 0.887 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.657 -8.503 1.374 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -10.474 -10.571 3.248 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -11.470 -9.263 3.855 1.00 0.00 H new ATOM 1684 N VAL A 110 -8.627 -8.283 2.668 1.00 0.00 N ATOM 1685 CA VAL A 110 -7.641 -7.344 3.190 1.00 0.00 C ATOM 1686 C VAL A 110 -7.161 -6.389 2.102 1.00 0.00 C ATOM 1687 O VAL A 110 -6.969 -5.199 2.348 1.00 0.00 O ATOM 1688 CB VAL A 110 -6.425 -8.079 3.785 1.00 0.00 C ATOM 1689 CG1 VAL A 110 -5.739 -8.924 2.722 1.00 0.00 C ATOM 1690 CG2 VAL A 110 -5.450 -7.086 4.399 1.00 0.00 C ATOM 0 H VAL A 110 -8.284 -9.237 2.558 1.00 0.00 H new ATOM 0 HA VAL A 110 -8.133 -6.775 3.978 1.00 0.00 H new ATOM 0 HB VAL A 110 -6.775 -8.744 4.574 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -4.882 -9.436 3.161 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -6.442 -9.661 2.333 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -5.400 -8.282 1.909 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -4.597 -7.623 4.814 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -5.104 -6.394 3.631 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -5.949 -6.529 5.192 1.00 0.00 H new ATOM 1700 N ALA A 111 -6.971 -6.920 0.899 1.00 0.00 N ATOM 1701 CA ALA A 111 -6.516 -6.115 -0.228 1.00 0.00 C ATOM 1702 C ALA A 111 -7.526 -5.023 -0.565 1.00 0.00 C ATOM 1703 O ALA A 111 -7.156 -3.949 -1.038 1.00 0.00 O ATOM 1704 CB ALA A 111 -6.266 -6.998 -1.441 1.00 0.00 C ATOM 0 H ALA A 111 -7.125 -7.904 0.680 1.00 0.00 H new ATOM 0 HA ALA A 111 -5.580 -5.633 0.055 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -5.927 -6.383 -2.275 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.502 -7.738 -1.201 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -7.190 -7.507 -1.717 1.00 0.00 H new ATOM 1710 N GLN A 112 -8.801 -5.306 -0.320 1.00 0.00 N ATOM 1711 CA GLN A 112 -9.864 -4.348 -0.599 1.00 0.00 C ATOM 1712 C GLN A 112 -9.761 -3.137 0.323 1.00 0.00 C ATOM 1713 O GLN A 112 -9.958 -2.000 -0.105 1.00 0.00 O ATOM 1714 CB GLN A 112 -11.233 -5.011 -0.440 1.00 0.00 C ATOM 1715 CG GLN A 112 -11.660 -5.824 -1.651 1.00 0.00 C ATOM 1716 CD GLN A 112 -13.072 -6.360 -1.526 1.00 0.00 C ATOM 1717 OE1 GLN A 112 -13.639 -6.400 -0.433 1.00 0.00 O ATOM 1718 NE2 GLN A 112 -13.650 -6.776 -2.647 1.00 0.00 N ATOM 0 H GLN A 112 -9.123 -6.191 0.071 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.751 -4.008 -1.629 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.213 -5.661 0.435 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -11.980 -4.241 -0.248 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -11.589 -5.203 -2.544 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -10.970 -6.657 -1.786 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -13.144 -6.725 -3.531 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -14.600 -7.147 -2.624 1.00 0.00 H new ATOM 1727 N SER A 113 -9.453 -3.390 1.591 1.00 0.00 N ATOM 1728 CA SER A 113 -9.329 -2.321 2.575 1.00 0.00 C ATOM 1729 C SER A 113 -8.148 -1.413 2.245 1.00 0.00 C ATOM 1730 O SER A 113 -8.193 -0.207 2.483 1.00 0.00 O ATOM 1731 CB SER A 113 -9.160 -2.908 3.978 1.00 0.00 C ATOM 1732 OG SER A 113 -9.157 -1.887 4.961 1.00 0.00 O ATOM 0 H SER A 113 -9.285 -4.326 1.961 1.00 0.00 H new ATOM 0 HA SER A 113 -10.242 -1.726 2.546 1.00 0.00 H new ATOM 0 HB2 SER A 113 -9.968 -3.611 4.181 1.00 0.00 H new ATOM 0 HB3 SER A 113 -8.228 -3.470 4.030 1.00 0.00 H new ATOM 0 HG SER A 113 -9.049 -2.288 5.849 1.00 0.00 H new ATOM 1738 N TRP A 114 -7.093 -2.003 1.696 1.00 0.00 N ATOM 1739 CA TRP A 114 -5.899 -1.249 1.332 1.00 0.00 C ATOM 1740 C TRP A 114 -6.130 -0.442 0.059 1.00 0.00 C ATOM 1741 O TRP A 114 -5.884 0.763 0.025 1.00 0.00 O ATOM 1742 CB TRP A 114 -4.711 -2.194 1.143 1.00 0.00 C ATOM 1743 CG TRP A 114 -4.005 -2.525 2.423 1.00 0.00 C ATOM 1744 CD1 TRP A 114 -4.245 -3.595 3.237 1.00 0.00 C ATOM 1745 CD2 TRP A 114 -2.947 -1.781 3.035 1.00 0.00 C ATOM 1746 NE1 TRP A 114 -3.399 -3.560 4.320 1.00 0.00 N ATOM 1747 CE2 TRP A 114 -2.592 -2.458 4.219 1.00 0.00 C ATOM 1748 CE3 TRP A 114 -2.263 -0.610 2.699 1.00 0.00 C ATOM 1749 CZ2 TRP A 114 -1.585 -2.000 5.064 1.00 0.00 C ATOM 1750 CZ3 TRP A 114 -1.264 -0.157 3.539 1.00 0.00 C ATOM 1751 CH2 TRP A 114 -0.932 -0.851 4.710 1.00 0.00 C ATOM 0 H TRP A 114 -7.040 -3.001 1.493 1.00 0.00 H new ATOM 0 HA TRP A 114 -5.677 -0.556 2.143 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -5.060 -3.117 0.680 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -4.001 -1.740 0.452 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -4.990 -4.356 3.057 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -3.376 -4.244 5.076 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -2.511 -0.068 1.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -1.328 -2.533 5.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -0.730 0.748 3.289 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -0.145 -0.472 5.345 1.00 0.00 H new ATOM 1762 N GLU A 115 -6.606 -1.115 -0.984 1.00 0.00 N ATOM 1763 CA GLU A 115 -6.870 -0.459 -2.259 1.00 0.00 C ATOM 1764 C GLU A 115 -7.841 0.705 -2.081 1.00 0.00 C ATOM 1765 O GLU A 115 -7.615 1.801 -2.594 1.00 0.00 O ATOM 1766 CB GLU A 115 -7.438 -1.461 -3.266 1.00 0.00 C ATOM 1767 CG GLU A 115 -7.199 -1.070 -4.715 1.00 0.00 C ATOM 1768 CD GLU A 115 -8.122 0.039 -5.180 1.00 0.00 C ATOM 1769 OE1 GLU A 115 -9.322 -0.237 -5.388 1.00 0.00 O ATOM 1770 OE2 GLU A 115 -7.645 1.182 -5.336 1.00 0.00 O ATOM 0 H GLU A 115 -6.816 -2.113 -0.971 1.00 0.00 H new ATOM 0 HA GLU A 115 -5.926 -0.068 -2.639 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -6.992 -2.439 -3.084 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -8.510 -1.564 -3.098 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -6.164 -0.750 -4.835 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -7.338 -1.944 -5.351 1.00 0.00 H new ATOM 1777 N LYS A 116 -8.923 0.459 -1.350 1.00 0.00 N ATOM 1778 CA LYS A 116 -9.929 1.484 -1.103 1.00 0.00 C ATOM 1779 C LYS A 116 -9.325 2.672 -0.360 1.00 0.00 C ATOM 1780 O LYS A 116 -9.700 3.820 -0.596 1.00 0.00 O ATOM 1781 CB LYS A 116 -11.092 0.903 -0.296 1.00 0.00 C ATOM 1782 CG LYS A 116 -12.135 0.202 -1.150 1.00 0.00 C ATOM 1783 CD LYS A 116 -13.375 -0.143 -0.343 1.00 0.00 C ATOM 1784 CE LYS A 116 -14.488 -0.677 -1.233 1.00 0.00 C ATOM 1785 NZ LYS A 116 -15.179 0.415 -1.972 1.00 0.00 N ATOM 0 H LYS A 116 -9.125 -0.443 -0.918 1.00 0.00 H new ATOM 0 HA LYS A 116 -10.301 1.831 -2.067 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -10.699 0.197 0.435 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -11.572 1.706 0.263 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -12.411 0.843 -1.988 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -11.709 -0.708 -1.572 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -13.123 -0.887 0.413 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -13.724 0.743 0.186 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -14.073 -1.391 -1.944 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -15.212 -1.218 -0.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -15.941 0.012 -2.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -15.582 1.092 -1.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -14.497 0.905 -2.586 1.00 0.00 H new ATOM 1799 N ALA A 117 -8.387 2.387 0.537 1.00 0.00 N ATOM 1800 CA ALA A 117 -7.728 3.432 1.312 1.00 0.00 C ATOM 1801 C ALA A 117 -6.716 4.191 0.460 1.00 0.00 C ATOM 1802 O ALA A 117 -6.871 5.388 0.215 1.00 0.00 O ATOM 1803 CB ALA A 117 -7.049 2.834 2.535 1.00 0.00 C ATOM 0 H ALA A 117 -8.066 1.441 0.745 1.00 0.00 H new ATOM 0 HA ALA A 117 -8.489 4.139 1.643 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -6.561 3.626 3.104 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -7.794 2.343 3.161 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -6.304 2.104 2.217 1.00 0.00 H new ATOM 1809 N ILE A 118 -5.681 3.488 0.013 1.00 0.00 N ATOM 1810 CA ILE A 118 -4.644 4.096 -0.811 1.00 0.00 C ATOM 1811 C ILE A 118 -5.252 4.944 -1.923 1.00 0.00 C ATOM 1812 O ILE A 118 -4.740 6.013 -2.254 1.00 0.00 O ATOM 1813 CB ILE A 118 -3.725 3.031 -1.437 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -2.932 2.306 -0.348 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -2.785 3.670 -2.448 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -2.428 0.944 -0.772 1.00 0.00 C ATOM 0 H ILE A 118 -5.538 2.497 0.208 1.00 0.00 H new ATOM 0 HA ILE A 118 -4.052 4.733 -0.154 1.00 0.00 H new ATOM 0 HB ILE A 118 -4.343 2.300 -1.957 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -2.083 2.924 -0.056 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -3.562 2.193 0.534 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -2.142 2.904 -2.882 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -3.368 4.144 -3.238 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -2.171 4.420 -1.950 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -1.875 0.489 0.050 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -3.274 0.309 -1.036 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -1.772 1.052 -1.636 1.00 0.00 H new ATOM 1828 N ARG A 119 -6.349 4.460 -2.496 1.00 0.00 N ATOM 1829 CA ARG A 119 -7.029 5.173 -3.571 1.00 0.00 C ATOM 1830 C ARG A 119 -7.786 6.381 -3.028 1.00 0.00 C ATOM 1831 O ARG A 119 -7.775 7.454 -3.630 1.00 0.00 O ATOM 1832 CB ARG A 119 -7.994 4.238 -4.301 1.00 0.00 C ATOM 1833 CG ARG A 119 -8.566 4.830 -5.579 1.00 0.00 C ATOM 1834 CD ARG A 119 -9.956 4.288 -5.872 1.00 0.00 C ATOM 1835 NE ARG A 119 -9.910 3.068 -6.674 1.00 0.00 N ATOM 1836 CZ ARG A 119 -9.723 3.060 -7.989 1.00 0.00 C ATOM 1837 NH1 ARG A 119 -9.565 4.200 -8.647 1.00 0.00 N ATOM 1838 NH2 ARG A 119 -9.694 1.909 -8.649 1.00 0.00 N ATOM 0 H ARG A 119 -6.786 3.577 -2.234 1.00 0.00 H new ATOM 0 HA ARG A 119 -6.274 5.525 -4.274 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -7.475 3.310 -4.541 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -8.814 3.981 -3.631 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -8.609 5.916 -5.491 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -7.903 4.604 -6.414 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -10.471 4.085 -4.933 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -10.537 5.046 -6.398 1.00 0.00 H new ATOM 0 HE ARG A 119 -10.028 2.173 -6.198 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -9.587 5.087 -8.143 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -9.422 4.190 -9.657 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -9.815 1.030 -8.146 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -9.550 1.904 -9.659 1.00 0.00 H new ATOM 1852 N GLN A 120 -8.444 6.197 -1.887 1.00 0.00 N ATOM 1853 CA GLN A 120 -9.207 7.272 -1.264 1.00 0.00 C ATOM 1854 C GLN A 120 -8.296 8.428 -0.868 1.00 0.00 C ATOM 1855 O GLN A 120 -8.496 9.564 -1.297 1.00 0.00 O ATOM 1856 CB GLN A 120 -9.953 6.750 -0.035 1.00 0.00 C ATOM 1857 CG GLN A 120 -10.642 7.841 0.768 1.00 0.00 C ATOM 1858 CD GLN A 120 -10.809 7.474 2.229 1.00 0.00 C ATOM 1859 OE1 GLN A 120 -10.342 8.187 3.118 1.00 0.00 O ATOM 1860 NE2 GLN A 120 -11.478 6.356 2.486 1.00 0.00 N ATOM 0 H GLN A 120 -8.464 5.314 -1.376 1.00 0.00 H new ATOM 0 HA GLN A 120 -9.931 7.638 -1.992 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -10.697 6.021 -0.355 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -9.249 6.225 0.611 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -10.064 8.762 0.693 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -11.621 8.043 0.334 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -11.848 5.795 1.719 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -11.622 6.058 3.451 1.00 0.00 H new ATOM 1869 N ALA A 121 -7.294 8.131 -0.046 1.00 0.00 N ATOM 1870 CA ALA A 121 -6.351 9.146 0.407 1.00 0.00 C ATOM 1871 C ALA A 121 -6.087 10.177 -0.686 1.00 0.00 C ATOM 1872 O ALA A 121 -6.118 11.383 -0.436 1.00 0.00 O ATOM 1873 CB ALA A 121 -5.048 8.496 0.848 1.00 0.00 C ATOM 0 H ALA A 121 -7.115 7.196 0.319 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.793 9.663 1.259 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -4.353 9.266 1.184 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -5.246 7.803 1.666 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -4.611 7.953 0.010 1.00 0.00 H new ATOM 1879 N LEU A 122 -5.827 9.695 -1.896 1.00 0.00 N ATOM 1880 CA LEU A 122 -5.556 10.575 -3.028 1.00 0.00 C ATOM 1881 C LEU A 122 -6.701 11.561 -3.237 1.00 0.00 C ATOM 1882 O LEU A 122 -6.477 12.751 -3.456 1.00 0.00 O ATOM 1883 CB LEU A 122 -5.338 9.753 -4.298 1.00 0.00 C ATOM 1884 CG LEU A 122 -3.897 9.329 -4.585 1.00 0.00 C ATOM 1885 CD1 LEU A 122 -3.455 8.247 -3.611 1.00 0.00 C ATOM 1886 CD2 LEU A 122 -3.758 8.846 -6.021 1.00 0.00 C ATOM 0 H LEU A 122 -5.798 8.700 -2.119 1.00 0.00 H new ATOM 0 HA LEU A 122 -4.650 11.140 -2.809 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -5.954 8.856 -4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -5.701 10.331 -5.148 1.00 0.00 H new ATOM 0 HG LEU A 122 -3.250 10.196 -4.451 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -2.427 7.958 -3.830 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -3.515 8.628 -2.592 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -4.106 7.378 -3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -2.726 8.549 -6.207 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -4.416 7.993 -6.183 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -4.032 9.650 -6.704 1.00 0.00 H new ATOM 1898 N MET A 123 -7.929 11.057 -3.165 1.00 0.00 N ATOM 1899 CA MET A 123 -9.110 11.895 -3.343 1.00 0.00 C ATOM 1900 C MET A 123 -8.949 13.224 -2.613 1.00 0.00 C ATOM 1901 O MET A 123 -9.176 14.289 -3.186 1.00 0.00 O ATOM 1902 CB MET A 123 -10.357 11.169 -2.837 1.00 0.00 C ATOM 1903 CG MET A 123 -10.635 9.861 -3.560 1.00 0.00 C ATOM 1904 SD MET A 123 -11.552 10.097 -5.094 1.00 0.00 S ATOM 1905 CE MET A 123 -11.108 8.609 -5.987 1.00 0.00 C ATOM 0 H MET A 123 -8.132 10.074 -2.985 1.00 0.00 H new ATOM 0 HA MET A 123 -9.224 12.098 -4.408 1.00 0.00 H new ATOM 0 HB2 MET A 123 -10.243 10.969 -1.772 1.00 0.00 H new ATOM 0 HB3 MET A 123 -11.220 11.826 -2.947 1.00 0.00 H new ATOM 0 HG2 MET A 123 -9.690 9.363 -3.779 1.00 0.00 H new ATOM 0 HG3 MET A 123 -11.199 9.199 -2.902 1.00 0.00 H new ATOM 0 HE1 MET A 123 -11.599 8.608 -6.960 1.00 0.00 H new ATOM 0 HE2 MET A 123 -10.027 8.577 -6.126 1.00 0.00 H new ATOM 0 HE3 MET A 123 -11.427 7.735 -5.419 1.00 0.00 H new ATOM 1915 N SER A 124 -8.557 13.153 -1.345 1.00 0.00 N ATOM 1916 CA SER A 124 -8.369 14.351 -0.535 1.00 0.00 C ATOM 1917 C SER A 124 -7.467 15.354 -1.248 1.00 0.00 C ATOM 1918 O SER A 124 -6.425 14.991 -1.791 1.00 0.00 O ATOM 1919 CB SER A 124 -7.770 13.985 0.824 1.00 0.00 C ATOM 1920 OG SER A 124 -6.376 13.754 0.721 1.00 0.00 O ATOM 0 H SER A 124 -8.363 12.279 -0.856 1.00 0.00 H new ATOM 0 HA SER A 124 -9.345 14.812 -0.382 1.00 0.00 H new ATOM 0 HB2 SER A 124 -7.957 14.789 1.536 1.00 0.00 H new ATOM 0 HB3 SER A 124 -8.262 13.094 1.214 1.00 0.00 H new ATOM 0 HG SER A 124 -6.216 12.957 0.173 1.00 0.00 H new ATOM 1926 N GLY A 125 -7.877 16.619 -1.241 1.00 0.00 N ATOM 1927 CA GLY A 125 -7.096 17.655 -1.890 1.00 0.00 C ATOM 1928 C GLY A 125 -7.483 17.850 -3.343 1.00 0.00 C ATOM 1929 O GLY A 125 -8.469 17.291 -3.825 1.00 0.00 O ATOM 0 H GLY A 125 -8.736 16.944 -0.797 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -7.227 18.595 -1.353 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -6.038 17.399 -1.830 1.00 0.00 H new ATOM 1933 N PRO A 126 -6.697 18.661 -4.065 1.00 0.00 N ATOM 1934 CA PRO A 126 -6.945 18.948 -5.481 1.00 0.00 C ATOM 1935 C PRO A 126 -6.681 17.739 -6.372 1.00 0.00 C ATOM 1936 O PRO A 126 -5.535 17.442 -6.709 1.00 0.00 O ATOM 1937 CB PRO A 126 -5.951 20.070 -5.795 1.00 0.00 C ATOM 1938 CG PRO A 126 -4.854 19.893 -4.802 1.00 0.00 C ATOM 1939 CD PRO A 126 -5.506 19.361 -3.556 1.00 0.00 C ATOM 0 HA PRO A 126 -7.985 19.217 -5.666 1.00 0.00 H new ATOM 0 HB2 PRO A 126 -5.577 19.993 -6.816 1.00 0.00 H new ATOM 0 HB3 PRO A 126 -6.417 21.050 -5.699 1.00 0.00 H new ATOM 0 HG2 PRO A 126 -4.099 19.200 -5.174 1.00 0.00 H new ATOM 0 HG3 PRO A 126 -4.349 20.839 -4.605 1.00 0.00 H new ATOM 0 HD2 PRO A 126 -4.844 18.686 -3.014 1.00 0.00 H new ATOM 0 HD3 PRO A 126 -5.775 20.164 -2.869 1.00 0.00 H new ATOM 1947 N SER A 127 -7.750 17.044 -6.750 1.00 0.00 N ATOM 1948 CA SER A 127 -7.634 15.865 -7.600 1.00 0.00 C ATOM 1949 C SER A 127 -7.694 16.250 -9.075 1.00 0.00 C ATOM 1950 O SER A 127 -8.577 16.996 -9.497 1.00 0.00 O ATOM 1951 CB SER A 127 -8.745 14.865 -7.276 1.00 0.00 C ATOM 1952 OG SER A 127 -8.824 13.852 -8.263 1.00 0.00 O ATOM 0 H SER A 127 -8.706 17.277 -6.481 1.00 0.00 H new ATOM 0 HA SER A 127 -6.668 15.400 -7.403 1.00 0.00 H new ATOM 0 HB2 SER A 127 -8.559 14.414 -6.301 1.00 0.00 H new ATOM 0 HB3 SER A 127 -9.700 15.387 -7.209 1.00 0.00 H new ATOM 0 HG SER A 127 -9.541 13.225 -8.032 1.00 0.00 H new ATOM 1958 N SER A 128 -6.748 15.734 -9.854 1.00 0.00 N ATOM 1959 CA SER A 128 -6.690 16.026 -11.281 1.00 0.00 C ATOM 1960 C SER A 128 -6.683 17.532 -11.528 1.00 0.00 C ATOM 1961 O SER A 128 -7.383 18.031 -12.407 1.00 0.00 O ATOM 1962 CB SER A 128 -7.877 15.385 -12.003 1.00 0.00 C ATOM 1963 OG SER A 128 -7.737 13.976 -12.063 1.00 0.00 O ATOM 0 H SER A 128 -6.012 15.112 -9.520 1.00 0.00 H new ATOM 0 HA SER A 128 -5.764 15.606 -11.675 1.00 0.00 H new ATOM 0 HB2 SER A 128 -8.802 15.640 -11.486 1.00 0.00 H new ATOM 0 HB3 SER A 128 -7.954 15.789 -13.012 1.00 0.00 H new ATOM 0 HG SER A 128 -8.509 13.590 -12.527 1.00 0.00 H new ATOM 1969 N GLY A 129 -5.884 18.250 -10.744 1.00 0.00 N ATOM 1970 CA GLY A 129 -5.800 19.691 -10.892 1.00 0.00 C ATOM 1971 C GLY A 129 -7.161 20.358 -10.864 1.00 0.00 C ATOM 1972 O GLY A 129 -7.459 21.136 -9.959 1.00 0.00 O ATOM 0 H GLY A 129 -5.294 17.859 -10.009 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -5.182 20.100 -10.092 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -5.302 19.928 -11.832 1.00 0.00 H new TER 1976 GLY A 129