USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 848 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 96 HIS : no HE2:sc= -0.0514 K(o=0.86,f=-0.79) USER MOD Set 1.2: A 99 THR OG1 : rot 156:sc= 0.911 USER MOD Set 2.1: A 86 TYR OH : rot -156:sc= 1.29 USER MOD Set 2.2: A 90 HIS : no HD1:sc= 1.05 K(o=2.3,f=-6.9!) USER MOD Set 3.1: A 75 THR OG1 : rot -89:sc= 1.51 USER MOD Set 3.2: A 87 TYR OH : rot -52:sc= 0.671 USER MOD Set 4.1: A 44 SER OG : rot 105:sc= 0.145 USER MOD Set 4.2: A 58 HIS : no HD1:sc= 1.27 K(o=1.4,f=-5.6!) USER MOD Set 5.1: A 6 TYR OH : rot 86:sc= 0.16 USER MOD Set 5.2: A 41 TYR OH : rot -136:sc= 1.32 USER MOD Set 6.1: A 28 THR OG1 : rot 87:sc= 2.13 USER MOD Set 6.2: A 100 ASN : amide:sc= -0.173 K(o=2,f=-0.69!) USER MOD Single : A 1 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 GLN N :NH3+ -172:sc= -0.0296 (180deg=-0.119) USER MOD Single : A 9 LYS NZ :NH3+ 166:sc= -0.076 (180deg=-0.375) USER MOD Single : A 11 THR OG1 : rot -84:sc= 0.438 USER MOD Single : A 15 SER OG : rot -67:sc= 0.974 USER MOD Single : A 21 ASN : amide:sc= 1.19 K(o=1.2,f=-0.033) USER MOD Single : A 24 ASN : amide:sc= -1.42! K(o=-1.4!,f=-2) USER MOD Single : A 34 SER OG : rot 160:sc= 0.0478 USER MOD Single : A 36 THR OG1 : rot -30:sc= 0.0272 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 144:sc= -0.937 (180deg=-2.84!) USER MOD Single : A 42 CYS SG : rot 22:sc= 0.801 USER MOD Single : A 46 SER OG : rot -30:sc= -0.709 USER MOD Single : A 50 ASN : amide:sc= -0.0619 K(o=-0.062,f=-1.4!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0.56 K(o=0.56,f=-0.5) USER MOD Single : A 57 LYS NZ :NH3+ 153:sc= -1.69! (180deg=-3.71!) USER MOD Single : A 59 TYR OH : rot -90:sc= 0.37 USER MOD Single : A 60 LYS NZ :NH3+ -159:sc= -0.111 (180deg=-0.537) USER MOD Single : A 63 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00267) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.344 X(o=-0.34,f=-0.67) USER MOD Single : A 78 SER OG : rot -63:sc= 0.00993 USER MOD Single : A 79 SER OG : rot 180:sc= -0.0616 USER MOD Single : A 81 GLN : amide:sc= 0.533 K(o=0.53,f=-2.3!) USER MOD Single : A 82 GLN : amide:sc= -0.061 K(o=-0.061,f=-1.6!) USER MOD Single : A 88 SER OG : rot 40:sc= 1.24 USER MOD Single : A 89 LYS NZ :NH3+ -168:sc= -0.0275 (180deg=-0.2) USER MOD Single : A 95 CYS SG : rot -170:sc= -1.13 USER MOD Single : A 102 CYS SG : rot 180:sc= -1.31 USER MOD Single : A 104 THR OG1 : rot 180:sc= -0.199 USER MOD Single : A 105 SER OG : rot -52:sc= 0.252 USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 9.276 -7.197 -12.486 1.00 0.00 N ATOM 2 CA GLN A 1 9.414 -5.725 -12.434 1.00 0.00 C ATOM 3 C GLN A 1 8.497 -5.157 -11.363 1.00 0.00 C ATOM 4 O GLN A 1 7.358 -5.601 -11.214 1.00 0.00 O ATOM 5 CB GLN A 1 9.035 -5.090 -13.778 1.00 0.00 C ATOM 6 CG GLN A 1 9.730 -5.690 -14.988 1.00 0.00 C ATOM 7 CD GLN A 1 9.352 -4.975 -16.271 1.00 0.00 C ATOM 8 OE1 GLN A 1 10.021 -4.034 -16.694 1.00 0.00 O ATOM 9 NE2 GLN A 1 8.260 -5.402 -16.884 1.00 0.00 N ATOM 0 H1 GLN A 1 9.999 -7.591 -13.121 1.00 0.00 H new ATOM 0 H2 GLN A 1 9.401 -7.591 -11.532 1.00 0.00 H new ATOM 0 H3 GLN A 1 8.331 -7.445 -12.842 1.00 0.00 H new ATOM 0 HA GLN A 1 10.455 -5.496 -12.206 1.00 0.00 H new ATOM 0 HB2 GLN A 1 7.957 -5.180 -13.915 1.00 0.00 H new ATOM 0 HB3 GLN A 1 9.263 -4.025 -13.737 1.00 0.00 H new ATOM 0 HG2 GLN A 1 10.810 -5.639 -14.849 1.00 0.00 H new ATOM 0 HG3 GLN A 1 9.469 -6.745 -15.070 1.00 0.00 H new ATOM 0 HE21 GLN A 1 7.733 -6.186 -16.500 1.00 0.00 H new ATOM 0 HE22 GLN A 1 7.945 -4.947 -17.741 1.00 0.00 H new ATOM 20 N ALA A 2 8.986 -4.180 -10.619 1.00 0.00 N ATOM 21 CA ALA A 2 8.164 -3.491 -9.639 1.00 0.00 C ATOM 22 C ALA A 2 7.363 -2.386 -10.319 1.00 0.00 C ATOM 23 O ALA A 2 7.800 -1.234 -10.371 1.00 0.00 O ATOM 24 CB ALA A 2 9.029 -2.921 -8.521 1.00 0.00 C ATOM 0 H ALA A 2 9.948 -3.846 -10.675 1.00 0.00 H new ATOM 0 HA ALA A 2 7.469 -4.205 -9.197 1.00 0.00 H new ATOM 0 HB1 ALA A 2 8.396 -2.409 -7.797 1.00 0.00 H new ATOM 0 HB2 ALA A 2 9.564 -3.731 -8.026 1.00 0.00 H new ATOM 0 HB3 ALA A 2 9.746 -2.215 -8.940 1.00 0.00 H new ATOM 30 N GLU A 3 6.205 -2.745 -10.868 1.00 0.00 N ATOM 31 CA GLU A 3 5.358 -1.773 -11.543 1.00 0.00 C ATOM 32 C GLU A 3 4.759 -0.800 -10.549 1.00 0.00 C ATOM 33 O GLU A 3 3.833 -1.147 -9.826 1.00 0.00 O ATOM 34 CB GLU A 3 4.232 -2.443 -12.320 1.00 0.00 C ATOM 35 CG GLU A 3 4.697 -3.328 -13.461 1.00 0.00 C ATOM 36 CD GLU A 3 3.541 -3.798 -14.320 1.00 0.00 C ATOM 37 OE1 GLU A 3 3.076 -3.016 -15.175 1.00 0.00 O ATOM 38 OE2 GLU A 3 3.090 -4.948 -14.138 1.00 0.00 O ATOM 0 H GLU A 3 5.836 -3.696 -10.858 1.00 0.00 H new ATOM 0 HA GLU A 3 5.995 -1.237 -12.246 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.638 -3.043 -11.630 1.00 0.00 H new ATOM 0 HB3 GLU A 3 3.574 -1.672 -12.720 1.00 0.00 H new ATOM 0 HG2 GLU A 3 5.409 -2.780 -14.079 1.00 0.00 H new ATOM 0 HG3 GLU A 3 5.224 -4.193 -13.058 1.00 0.00 H new ATOM 45 N GLU A 4 5.265 0.427 -10.606 1.00 0.00 N ATOM 46 CA GLU A 4 4.967 1.517 -9.682 1.00 0.00 C ATOM 47 C GLU A 4 4.638 1.040 -8.271 1.00 0.00 C ATOM 48 O GLU A 4 5.509 0.968 -7.403 1.00 0.00 O ATOM 49 CB GLU A 4 3.820 2.355 -10.241 1.00 0.00 C ATOM 50 CG GLU A 4 4.033 2.813 -11.676 1.00 0.00 C ATOM 51 CD GLU A 4 5.420 3.366 -11.927 1.00 0.00 C ATOM 52 OE1 GLU A 4 6.332 2.569 -12.233 1.00 0.00 O ATOM 53 OE2 GLU A 4 5.601 4.597 -11.841 1.00 0.00 O ATOM 0 H GLU A 4 5.926 0.703 -11.332 1.00 0.00 H new ATOM 0 HA GLU A 4 5.870 2.121 -9.594 1.00 0.00 H new ATOM 0 HB2 GLU A 4 2.899 1.774 -10.188 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.681 3.231 -9.607 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.857 1.973 -12.348 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.295 3.577 -11.920 1.00 0.00 H new ATOM 60 N TRP A 5 3.383 0.691 -8.084 1.00 0.00 N ATOM 61 CA TRP A 5 2.835 0.340 -6.778 1.00 0.00 C ATOM 62 C TRP A 5 3.151 -1.107 -6.394 1.00 0.00 C ATOM 63 O TRP A 5 3.386 -1.410 -5.224 1.00 0.00 O ATOM 64 CB TRP A 5 1.318 0.579 -6.776 1.00 0.00 C ATOM 65 CG TRP A 5 0.665 0.276 -8.096 1.00 0.00 C ATOM 66 CD1 TRP A 5 0.489 1.144 -9.137 1.00 0.00 C ATOM 67 CD2 TRP A 5 0.100 -0.975 -8.519 1.00 0.00 C ATOM 68 NE1 TRP A 5 -0.125 0.507 -10.185 1.00 0.00 N ATOM 69 CE2 TRP A 5 -0.376 -0.793 -9.831 1.00 0.00 C ATOM 70 CE3 TRP A 5 -0.042 -2.231 -7.924 1.00 0.00 C ATOM 71 CZ2 TRP A 5 -0.979 -1.816 -10.553 1.00 0.00 C ATOM 72 CZ3 TRP A 5 -0.643 -3.246 -8.644 1.00 0.00 C ATOM 73 CH2 TRP A 5 -1.103 -3.032 -9.946 1.00 0.00 C ATOM 0 H TRP A 5 2.701 0.640 -8.840 1.00 0.00 H new ATOM 0 HA TRP A 5 3.307 0.979 -6.031 1.00 0.00 H new ATOM 0 HB2 TRP A 5 0.861 -0.039 -6.003 1.00 0.00 H new ATOM 0 HB3 TRP A 5 1.122 1.618 -6.512 1.00 0.00 H new ATOM 0 HD1 TRP A 5 0.790 2.181 -9.135 1.00 0.00 H new ATOM 0 HE1 TRP A 5 -0.357 0.932 -11.083 1.00 0.00 H new ATOM 0 HE3 TRP A 5 0.312 -2.406 -6.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 -1.337 -1.654 -11.559 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 -0.759 -4.220 -8.193 1.00 0.00 H new ATOM 0 HH2 TRP A 5 -1.566 -3.846 -10.483 1.00 0.00 H new ATOM 84 N TYR A 6 3.174 -1.983 -7.384 1.00 0.00 N ATOM 85 CA TYR A 6 3.352 -3.409 -7.155 1.00 0.00 C ATOM 86 C TYR A 6 4.832 -3.757 -7.092 1.00 0.00 C ATOM 87 O TYR A 6 5.449 -4.099 -8.103 1.00 0.00 O ATOM 88 CB TYR A 6 2.655 -4.196 -8.268 1.00 0.00 C ATOM 89 CG TYR A 6 2.443 -5.668 -7.973 1.00 0.00 C ATOM 90 CD1 TYR A 6 2.828 -6.233 -6.763 1.00 0.00 C ATOM 91 CD2 TYR A 6 1.853 -6.491 -8.920 1.00 0.00 C ATOM 92 CE1 TYR A 6 2.634 -7.579 -6.511 1.00 0.00 C ATOM 93 CE2 TYR A 6 1.651 -7.834 -8.675 1.00 0.00 C ATOM 94 CZ TYR A 6 2.045 -8.376 -7.474 1.00 0.00 C ATOM 95 OH TYR A 6 1.857 -9.722 -7.240 1.00 0.00 O ATOM 0 H TYR A 6 3.070 -1.728 -8.366 1.00 0.00 H new ATOM 0 HA TYR A 6 2.904 -3.678 -6.199 1.00 0.00 H new ATOM 0 HB2 TYR A 6 1.686 -3.737 -8.466 1.00 0.00 H new ATOM 0 HB3 TYR A 6 3.243 -4.104 -9.181 1.00 0.00 H new ATOM 0 HD1 TYR A 6 3.286 -5.611 -6.008 1.00 0.00 H new ATOM 0 HD2 TYR A 6 1.546 -6.073 -9.867 1.00 0.00 H new ATOM 0 HE1 TYR A 6 2.941 -8.005 -5.567 1.00 0.00 H new ATOM 0 HE2 TYR A 6 1.185 -8.457 -9.424 1.00 0.00 H new ATOM 0 HH TYR A 6 1.011 -9.856 -6.763 1.00 0.00 H new ATOM 105 N PHE A 7 5.390 -3.668 -5.893 1.00 0.00 N ATOM 106 CA PHE A 7 6.804 -3.950 -5.677 1.00 0.00 C ATOM 107 C PHE A 7 7.090 -5.447 -5.690 1.00 0.00 C ATOM 108 O PHE A 7 8.179 -5.878 -6.070 1.00 0.00 O ATOM 109 CB PHE A 7 7.271 -3.338 -4.357 1.00 0.00 C ATOM 110 CG PHE A 7 7.722 -1.914 -4.484 1.00 0.00 C ATOM 111 CD1 PHE A 7 6.805 -0.892 -4.660 1.00 0.00 C ATOM 112 CD2 PHE A 7 9.070 -1.599 -4.427 1.00 0.00 C ATOM 113 CE1 PHE A 7 7.224 0.419 -4.776 1.00 0.00 C ATOM 114 CE2 PHE A 7 9.496 -0.289 -4.541 1.00 0.00 C ATOM 115 CZ PHE A 7 8.571 0.721 -4.715 1.00 0.00 C ATOM 0 H PHE A 7 4.882 -3.401 -5.050 1.00 0.00 H new ATOM 0 HA PHE A 7 7.358 -3.498 -6.500 1.00 0.00 H new ATOM 0 HB2 PHE A 7 6.457 -3.390 -3.634 1.00 0.00 H new ATOM 0 HB3 PHE A 7 8.090 -3.936 -3.958 1.00 0.00 H new ATOM 0 HD1 PHE A 7 5.751 -1.122 -4.707 1.00 0.00 H new ATOM 0 HD2 PHE A 7 9.797 -2.386 -4.292 1.00 0.00 H new ATOM 0 HE1 PHE A 7 6.499 1.208 -4.914 1.00 0.00 H new ATOM 0 HE2 PHE A 7 10.550 -0.056 -4.494 1.00 0.00 H new ATOM 0 HZ PHE A 7 8.900 1.746 -4.803 1.00 0.00 H new ATOM 125 N GLY A 8 6.113 -6.237 -5.270 1.00 0.00 N ATOM 126 CA GLY A 8 6.288 -7.675 -5.243 1.00 0.00 C ATOM 127 C GLY A 8 6.295 -8.212 -3.829 1.00 0.00 C ATOM 128 O GLY A 8 5.784 -7.563 -2.917 1.00 0.00 O ATOM 0 H GLY A 8 5.203 -5.909 -4.948 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.486 -8.150 -5.808 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.224 -7.937 -5.736 1.00 0.00 H new ATOM 132 N LYS A 9 6.883 -9.384 -3.640 1.00 0.00 N ATOM 133 CA LYS A 9 6.927 -10.014 -2.326 1.00 0.00 C ATOM 134 C LYS A 9 8.072 -9.455 -1.474 1.00 0.00 C ATOM 135 O LYS A 9 8.950 -10.187 -1.017 1.00 0.00 O ATOM 136 CB LYS A 9 7.047 -11.538 -2.461 1.00 0.00 C ATOM 137 CG LYS A 9 8.229 -11.999 -3.297 1.00 0.00 C ATOM 138 CD LYS A 9 8.375 -13.510 -3.253 1.00 0.00 C ATOM 139 CE LYS A 9 9.593 -13.984 -4.030 1.00 0.00 C ATOM 140 NZ LYS A 9 10.845 -13.338 -3.558 1.00 0.00 N ATOM 0 H LYS A 9 7.337 -9.920 -4.380 1.00 0.00 H new ATOM 0 HA LYS A 9 5.992 -9.783 -1.816 1.00 0.00 H new ATOM 0 HB2 LYS A 9 7.129 -11.974 -1.465 1.00 0.00 H new ATOM 0 HB3 LYS A 9 6.130 -11.925 -2.905 1.00 0.00 H new ATOM 0 HG2 LYS A 9 8.097 -11.673 -4.329 1.00 0.00 H new ATOM 0 HG3 LYS A 9 9.143 -11.532 -2.929 1.00 0.00 H new ATOM 0 HD2 LYS A 9 8.456 -13.837 -2.216 1.00 0.00 H new ATOM 0 HD3 LYS A 9 7.479 -13.974 -3.665 1.00 0.00 H new ATOM 0 HE2 LYS A 9 9.685 -15.066 -3.933 1.00 0.00 H new ATOM 0 HE3 LYS A 9 9.452 -13.770 -5.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.665 -13.851 -3.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.871 -12.351 -3.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.876 -13.359 -2.519 1.00 0.00 H new ATOM 154 N ILE A 10 8.062 -8.150 -1.269 1.00 0.00 N ATOM 155 CA ILE A 10 9.041 -7.521 -0.400 1.00 0.00 C ATOM 156 C ILE A 10 8.588 -7.636 1.049 1.00 0.00 C ATOM 157 O ILE A 10 7.415 -7.410 1.367 1.00 0.00 O ATOM 158 CB ILE A 10 9.277 -6.034 -0.763 1.00 0.00 C ATOM 159 CG1 ILE A 10 7.974 -5.236 -0.673 1.00 0.00 C ATOM 160 CG2 ILE A 10 9.881 -5.919 -2.156 1.00 0.00 C ATOM 161 CD1 ILE A 10 8.162 -3.745 -0.854 1.00 0.00 C ATOM 0 H ILE A 10 7.391 -7.508 -1.690 1.00 0.00 H new ATOM 0 HA ILE A 10 9.988 -8.043 -0.538 1.00 0.00 H new ATOM 0 HB ILE A 10 9.980 -5.614 -0.043 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.281 -5.601 -1.431 1.00 0.00 H new ATOM 0 HG13 ILE A 10 7.511 -5.420 0.297 1.00 0.00 H new ATOM 0 HG21 ILE A 10 10.041 -4.868 -2.397 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.834 -6.447 -2.184 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.201 -6.359 -2.885 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.197 -3.245 -0.778 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.829 -3.366 -0.080 1.00 0.00 H new ATOM 0 HD13 ILE A 10 8.596 -3.549 -1.835 1.00 0.00 H new ATOM 173 N THR A 11 9.508 -8.012 1.922 1.00 0.00 N ATOM 174 CA THR A 11 9.176 -8.232 3.316 1.00 0.00 C ATOM 175 C THR A 11 8.951 -6.907 4.036 1.00 0.00 C ATOM 176 O THR A 11 9.315 -5.847 3.518 1.00 0.00 O ATOM 177 CB THR A 11 10.272 -9.038 4.042 1.00 0.00 C ATOM 178 OG1 THR A 11 11.532 -8.373 3.926 1.00 0.00 O ATOM 179 CG2 THR A 11 10.381 -10.440 3.466 1.00 0.00 C ATOM 0 H THR A 11 10.488 -8.170 1.689 1.00 0.00 H new ATOM 0 HA THR A 11 8.253 -8.812 3.338 1.00 0.00 H new ATOM 0 HB THR A 11 9.998 -9.112 5.094 1.00 0.00 H new ATOM 0 HG1 THR A 11 11.954 -8.617 3.076 1.00 0.00 H new ATOM 0 HG21 THR A 11 11.160 -10.990 3.993 1.00 0.00 H new ATOM 0 HG22 THR A 11 9.429 -10.957 3.584 1.00 0.00 H new ATOM 0 HG23 THR A 11 10.632 -10.380 2.407 1.00 0.00 H new ATOM 187 N ARG A 12 8.351 -6.964 5.216 1.00 0.00 N ATOM 188 CA ARG A 12 8.030 -5.757 5.965 1.00 0.00 C ATOM 189 C ARG A 12 9.271 -4.892 6.179 1.00 0.00 C ATOM 190 O ARG A 12 9.256 -3.697 5.888 1.00 0.00 O ATOM 191 CB ARG A 12 7.407 -6.106 7.318 1.00 0.00 C ATOM 192 CG ARG A 12 7.176 -4.883 8.186 1.00 0.00 C ATOM 193 CD ARG A 12 6.826 -5.246 9.616 1.00 0.00 C ATOM 194 NE ARG A 12 7.213 -4.171 10.521 1.00 0.00 N ATOM 195 CZ ARG A 12 6.606 -3.883 11.667 1.00 0.00 C ATOM 196 NH1 ARG A 12 5.562 -4.592 12.079 1.00 0.00 N ATOM 197 NH2 ARG A 12 7.047 -2.867 12.398 1.00 0.00 N ATOM 0 H ARG A 12 8.077 -7.832 5.676 1.00 0.00 H new ATOM 0 HA ARG A 12 7.308 -5.191 5.376 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.458 -6.617 7.156 1.00 0.00 H new ATOM 0 HB3 ARG A 12 8.058 -6.803 7.845 1.00 0.00 H new ATOM 0 HG2 ARG A 12 8.072 -4.263 8.181 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.371 -4.284 7.759 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.755 -5.433 9.699 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.333 -6.169 9.899 1.00 0.00 H new ATOM 0 HE ARG A 12 8.012 -3.595 10.254 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.217 -5.368 11.514 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.105 -4.361 12.961 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.844 -2.317 12.078 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.589 -2.636 13.280 1.00 0.00 H new ATOM 211 N ARG A 13 10.346 -5.514 6.654 1.00 0.00 N ATOM 212 CA ARG A 13 11.567 -4.792 7.004 1.00 0.00 C ATOM 213 C ARG A 13 12.170 -4.085 5.791 1.00 0.00 C ATOM 214 O ARG A 13 12.621 -2.943 5.892 1.00 0.00 O ATOM 215 CB ARG A 13 12.581 -5.751 7.626 1.00 0.00 C ATOM 216 CG ARG A 13 12.064 -6.437 8.881 1.00 0.00 C ATOM 217 CD ARG A 13 11.675 -5.429 9.953 1.00 0.00 C ATOM 218 NE ARG A 13 12.839 -4.746 10.521 1.00 0.00 N ATOM 219 CZ ARG A 13 12.814 -3.510 11.022 1.00 0.00 C ATOM 220 NH1 ARG A 13 11.721 -2.760 10.923 1.00 0.00 N ATOM 221 NH2 ARG A 13 13.895 -3.009 11.603 1.00 0.00 N ATOM 0 H ARG A 13 10.397 -6.521 6.806 1.00 0.00 H new ATOM 0 HA ARG A 13 11.308 -4.025 7.733 1.00 0.00 H new ATOM 0 HB2 ARG A 13 12.853 -6.509 6.891 1.00 0.00 H new ATOM 0 HB3 ARG A 13 13.490 -5.201 7.869 1.00 0.00 H new ATOM 0 HG2 ARG A 13 11.200 -7.053 8.630 1.00 0.00 H new ATOM 0 HG3 ARG A 13 12.830 -7.107 9.272 1.00 0.00 H new ATOM 0 HD2 ARG A 13 10.996 -4.691 9.526 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.132 -5.939 10.748 1.00 0.00 H new ATOM 0 HE ARG A 13 13.727 -5.248 10.534 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.890 -3.128 10.460 1.00 0.00 H new ATOM 0 HH12 ARG A 13 11.713 -1.816 11.310 1.00 0.00 H new ATOM 0 HH21 ARG A 13 14.745 -3.569 11.667 1.00 0.00 H new ATOM 0 HH22 ARG A 13 13.876 -2.064 11.986 1.00 0.00 H new ATOM 235 N GLU A 14 12.166 -4.763 4.644 1.00 0.00 N ATOM 236 CA GLU A 14 12.651 -4.167 3.398 1.00 0.00 C ATOM 237 C GLU A 14 11.806 -2.950 3.038 1.00 0.00 C ATOM 238 O GLU A 14 12.323 -1.907 2.637 1.00 0.00 O ATOM 239 CB GLU A 14 12.595 -5.188 2.256 1.00 0.00 C ATOM 240 CG GLU A 14 13.459 -6.417 2.486 1.00 0.00 C ATOM 241 CD GLU A 14 13.281 -7.462 1.401 1.00 0.00 C ATOM 242 OE1 GLU A 14 12.244 -8.165 1.412 1.00 0.00 O ATOM 243 OE2 GLU A 14 14.175 -7.591 0.539 1.00 0.00 O ATOM 0 H GLU A 14 11.833 -5.723 4.551 1.00 0.00 H new ATOM 0 HA GLU A 14 13.686 -3.858 3.544 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.561 -5.504 2.114 1.00 0.00 H new ATOM 0 HB3 GLU A 14 12.909 -4.703 1.332 1.00 0.00 H new ATOM 0 HG2 GLU A 14 14.506 -6.118 2.530 1.00 0.00 H new ATOM 0 HG3 GLU A 14 13.212 -6.856 3.453 1.00 0.00 H new ATOM 250 N SER A 15 10.500 -3.099 3.209 1.00 0.00 N ATOM 251 CA SER A 15 9.553 -2.051 2.880 1.00 0.00 C ATOM 252 C SER A 15 9.705 -0.857 3.822 1.00 0.00 C ATOM 253 O SER A 15 9.654 0.289 3.382 1.00 0.00 O ATOM 254 CB SER A 15 8.130 -2.612 2.947 1.00 0.00 C ATOM 255 OG SER A 15 7.167 -1.661 2.517 1.00 0.00 O ATOM 0 H SER A 15 10.071 -3.948 3.578 1.00 0.00 H new ATOM 0 HA SER A 15 9.755 -1.700 1.868 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.062 -3.505 2.325 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.908 -2.918 3.969 1.00 0.00 H new ATOM 0 HG SER A 15 7.133 -0.919 3.156 1.00 0.00 H new ATOM 261 N GLU A 16 9.902 -1.128 5.109 1.00 0.00 N ATOM 262 CA GLU A 16 10.067 -0.067 6.097 1.00 0.00 C ATOM 263 C GLU A 16 11.294 0.782 5.786 1.00 0.00 C ATOM 264 O GLU A 16 11.244 2.007 5.875 1.00 0.00 O ATOM 265 CB GLU A 16 10.169 -0.649 7.507 1.00 0.00 C ATOM 266 CG GLU A 16 8.868 -1.259 8.007 1.00 0.00 C ATOM 267 CD GLU A 16 8.995 -1.858 9.394 1.00 0.00 C ATOM 268 OE1 GLU A 16 9.470 -3.008 9.510 1.00 0.00 O ATOM 269 OE2 GLU A 16 8.606 -1.192 10.375 1.00 0.00 O ATOM 0 H GLU A 16 9.951 -2.072 5.492 1.00 0.00 H new ATOM 0 HA GLU A 16 9.186 0.573 6.049 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.948 -1.412 7.521 1.00 0.00 H new ATOM 0 HB3 GLU A 16 10.480 0.137 8.195 1.00 0.00 H new ATOM 0 HG2 GLU A 16 8.093 -0.493 8.017 1.00 0.00 H new ATOM 0 HG3 GLU A 16 8.543 -2.032 7.311 1.00 0.00 H new ATOM 276 N ARG A 17 12.387 0.134 5.404 1.00 0.00 N ATOM 277 CA ARG A 17 13.613 0.842 5.035 1.00 0.00 C ATOM 278 C ARG A 17 13.355 1.818 3.882 1.00 0.00 C ATOM 279 O ARG A 17 13.933 2.904 3.834 1.00 0.00 O ATOM 280 CB ARG A 17 14.711 -0.165 4.657 1.00 0.00 C ATOM 281 CG ARG A 17 15.933 0.459 3.994 1.00 0.00 C ATOM 282 CD ARG A 17 16.568 1.545 4.851 1.00 0.00 C ATOM 283 NE ARG A 17 17.191 1.018 6.063 1.00 0.00 N ATOM 284 CZ ARG A 17 18.054 1.708 6.806 1.00 0.00 C ATOM 285 NH1 ARG A 17 18.399 2.939 6.454 1.00 0.00 N ATOM 286 NH2 ARG A 17 18.581 1.171 7.895 1.00 0.00 N ATOM 0 H ARG A 17 12.453 -0.882 5.341 1.00 0.00 H new ATOM 0 HA ARG A 17 13.950 1.421 5.895 1.00 0.00 H new ATOM 0 HB2 ARG A 17 15.030 -0.692 5.556 1.00 0.00 H new ATOM 0 HB3 ARG A 17 14.288 -0.910 3.984 1.00 0.00 H new ATOM 0 HG2 ARG A 17 16.670 -0.318 3.793 1.00 0.00 H new ATOM 0 HG3 ARG A 17 15.645 0.882 3.032 1.00 0.00 H new ATOM 0 HD2 ARG A 17 17.318 2.073 4.263 1.00 0.00 H new ATOM 0 HD3 ARG A 17 15.807 2.275 5.127 1.00 0.00 H new ATOM 0 HE ARG A 17 16.952 0.071 6.356 1.00 0.00 H new ATOM 0 HH11 ARG A 17 18.003 3.359 5.613 1.00 0.00 H new ATOM 0 HH12 ARG A 17 19.060 3.466 7.024 1.00 0.00 H new ATOM 0 HH21 ARG A 17 18.327 0.222 8.170 1.00 0.00 H new ATOM 0 HH22 ARG A 17 19.241 1.706 8.459 1.00 0.00 H new ATOM 300 N LEU A 18 12.475 1.429 2.972 1.00 0.00 N ATOM 301 CA LEU A 18 12.138 2.264 1.825 1.00 0.00 C ATOM 302 C LEU A 18 11.172 3.383 2.223 1.00 0.00 C ATOM 303 O LEU A 18 11.321 4.527 1.792 1.00 0.00 O ATOM 304 CB LEU A 18 11.517 1.405 0.721 1.00 0.00 C ATOM 305 CG LEU A 18 12.405 0.277 0.191 1.00 0.00 C ATOM 306 CD1 LEU A 18 11.648 -0.550 -0.837 1.00 0.00 C ATOM 307 CD2 LEU A 18 13.686 0.841 -0.413 1.00 0.00 C ATOM 0 H LEU A 18 11.979 0.538 3.004 1.00 0.00 H new ATOM 0 HA LEU A 18 13.055 2.723 1.455 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.592 0.969 1.099 1.00 0.00 H new ATOM 0 HB3 LEU A 18 11.246 2.054 -0.112 1.00 0.00 H new ATOM 0 HG LEU A 18 12.678 -0.370 1.025 1.00 0.00 H new ATOM 0 HD11 LEU A 18 12.291 -1.349 -1.206 1.00 0.00 H new ATOM 0 HD12 LEU A 18 10.761 -0.983 -0.374 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.349 0.088 -1.668 1.00 0.00 H new ATOM 0 HD21 LEU A 18 14.304 0.023 -0.784 1.00 0.00 H new ATOM 0 HD22 LEU A 18 13.436 1.510 -1.237 1.00 0.00 H new ATOM 0 HD23 LEU A 18 14.235 1.394 0.349 1.00 0.00 H new ATOM 319 N LEU A 19 10.199 3.052 3.063 1.00 0.00 N ATOM 320 CA LEU A 19 9.147 3.998 3.428 1.00 0.00 C ATOM 321 C LEU A 19 9.630 5.031 4.441 1.00 0.00 C ATOM 322 O LEU A 19 9.287 6.208 4.337 1.00 0.00 O ATOM 323 CB LEU A 19 7.933 3.254 3.981 1.00 0.00 C ATOM 324 CG LEU A 19 7.241 2.322 2.986 1.00 0.00 C ATOM 325 CD1 LEU A 19 6.103 1.577 3.659 1.00 0.00 C ATOM 326 CD2 LEU A 19 6.734 3.106 1.787 1.00 0.00 C ATOM 0 H LEU A 19 10.115 2.137 3.505 1.00 0.00 H new ATOM 0 HA LEU A 19 8.864 4.532 2.521 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.246 2.670 4.846 1.00 0.00 H new ATOM 0 HB3 LEU A 19 7.207 3.986 4.336 1.00 0.00 H new ATOM 0 HG LEU A 19 7.968 1.590 2.634 1.00 0.00 H new ATOM 0 HD11 LEU A 19 5.622 0.918 2.936 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.495 0.984 4.486 1.00 0.00 H new ATOM 0 HD13 LEU A 19 5.374 2.293 4.039 1.00 0.00 H new ATOM 0 HD21 LEU A 19 6.244 2.427 1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 19 6.021 3.860 2.120 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.573 3.594 1.290 1.00 0.00 H new ATOM 338 N LEU A 20 10.443 4.604 5.405 1.00 0.00 N ATOM 339 CA LEU A 20 10.899 5.495 6.473 1.00 0.00 C ATOM 340 C LEU A 20 12.021 6.426 6.013 1.00 0.00 C ATOM 341 O LEU A 20 12.957 6.706 6.762 1.00 0.00 O ATOM 342 CB LEU A 20 11.357 4.704 7.709 1.00 0.00 C ATOM 343 CG LEU A 20 10.247 4.267 8.675 1.00 0.00 C ATOM 344 CD1 LEU A 20 9.339 5.437 9.022 1.00 0.00 C ATOM 345 CD2 LEU A 20 9.443 3.114 8.103 1.00 0.00 C ATOM 0 H LEU A 20 10.799 3.650 5.470 1.00 0.00 H new ATOM 0 HA LEU A 20 10.040 6.109 6.743 1.00 0.00 H new ATOM 0 HB2 LEU A 20 11.888 3.814 7.371 1.00 0.00 H new ATOM 0 HB3 LEU A 20 12.073 5.313 8.261 1.00 0.00 H new ATOM 0 HG LEU A 20 10.723 3.920 9.592 1.00 0.00 H new ATOM 0 HD11 LEU A 20 8.560 5.102 9.708 1.00 0.00 H new ATOM 0 HD12 LEU A 20 9.925 6.225 9.495 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.880 5.823 8.112 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.665 2.827 8.810 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.984 3.421 7.163 1.00 0.00 H new ATOM 0 HD23 LEU A 20 10.102 2.264 7.924 1.00 0.00 H new ATOM 357 N ASN A 21 11.927 6.904 4.784 1.00 0.00 N ATOM 358 CA ASN A 21 12.823 7.940 4.303 1.00 0.00 C ATOM 359 C ASN A 21 12.217 9.298 4.612 1.00 0.00 C ATOM 360 O ASN A 21 11.121 9.611 4.152 1.00 0.00 O ATOM 361 CB ASN A 21 13.079 7.812 2.796 1.00 0.00 C ATOM 362 CG ASN A 21 14.182 6.825 2.466 1.00 0.00 C ATOM 363 OD1 ASN A 21 15.355 7.189 2.410 1.00 0.00 O ATOM 364 ND2 ASN A 21 13.819 5.576 2.229 1.00 0.00 N ATOM 0 H ASN A 21 11.238 6.590 4.101 1.00 0.00 H new ATOM 0 HA ASN A 21 13.782 7.830 4.809 1.00 0.00 H new ATOM 0 HB2 ASN A 21 12.159 7.500 2.302 1.00 0.00 H new ATOM 0 HB3 ASN A 21 13.341 8.790 2.393 1.00 0.00 H new ATOM 0 HD21 ASN A 21 14.522 4.877 1.990 1.00 0.00 H new ATOM 0 HD22 ASN A 21 12.836 5.311 2.285 1.00 0.00 H new ATOM 371 N PRO A 22 12.911 10.112 5.420 1.00 0.00 N ATOM 372 CA PRO A 22 12.434 11.441 5.833 1.00 0.00 C ATOM 373 C PRO A 22 12.086 12.355 4.658 1.00 0.00 C ATOM 374 O PRO A 22 11.388 13.357 4.828 1.00 0.00 O ATOM 375 CB PRO A 22 13.613 12.015 6.623 1.00 0.00 C ATOM 376 CG PRO A 22 14.372 10.827 7.094 1.00 0.00 C ATOM 377 CD PRO A 22 14.218 9.788 6.019 1.00 0.00 C ATOM 0 HA PRO A 22 11.508 11.367 6.403 1.00 0.00 H new ATOM 0 HB2 PRO A 22 14.233 12.657 5.997 1.00 0.00 H new ATOM 0 HB3 PRO A 22 13.269 12.622 7.461 1.00 0.00 H new ATOM 0 HG2 PRO A 22 15.422 11.072 7.253 1.00 0.00 H new ATOM 0 HG3 PRO A 22 13.981 10.466 8.045 1.00 0.00 H new ATOM 0 HD2 PRO A 22 15.022 9.846 5.285 1.00 0.00 H new ATOM 0 HD3 PRO A 22 14.233 8.779 6.430 1.00 0.00 H new ATOM 385 N GLU A 23 12.584 12.018 3.474 1.00 0.00 N ATOM 386 CA GLU A 23 12.311 12.805 2.277 1.00 0.00 C ATOM 387 C GLU A 23 11.007 12.369 1.603 1.00 0.00 C ATOM 388 O GLU A 23 10.598 12.951 0.597 1.00 0.00 O ATOM 389 CB GLU A 23 13.471 12.692 1.289 1.00 0.00 C ATOM 390 CG GLU A 23 13.724 11.277 0.796 1.00 0.00 C ATOM 391 CD GLU A 23 14.865 11.215 -0.193 1.00 0.00 C ATOM 392 OE1 GLU A 23 16.033 11.152 0.243 1.00 0.00 O ATOM 393 OE2 GLU A 23 14.600 11.249 -1.412 1.00 0.00 O ATOM 0 H GLU A 23 13.179 11.205 3.317 1.00 0.00 H new ATOM 0 HA GLU A 23 12.201 13.845 2.585 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.269 13.334 0.432 1.00 0.00 H new ATOM 0 HB3 GLU A 23 14.377 13.069 1.763 1.00 0.00 H new ATOM 0 HG2 GLU A 23 13.946 10.632 1.646 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.819 10.889 0.329 1.00 0.00 H new ATOM 400 N ASN A 24 10.361 11.349 2.151 1.00 0.00 N ATOM 401 CA ASN A 24 9.087 10.884 1.613 1.00 0.00 C ATOM 402 C ASN A 24 7.939 11.702 2.185 1.00 0.00 C ATOM 403 O ASN A 24 7.874 11.941 3.394 1.00 0.00 O ATOM 404 CB ASN A 24 8.855 9.398 1.919 1.00 0.00 C ATOM 405 CG ASN A 24 9.764 8.479 1.128 1.00 0.00 C ATOM 406 OD1 ASN A 24 10.216 8.815 0.035 1.00 0.00 O ATOM 407 ND2 ASN A 24 10.023 7.300 1.671 1.00 0.00 N ATOM 0 H ASN A 24 10.694 10.829 2.963 1.00 0.00 H new ATOM 0 HA ASN A 24 9.124 11.012 0.531 1.00 0.00 H new ATOM 0 HB2 ASN A 24 9.010 9.224 2.984 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.817 9.146 1.703 1.00 0.00 H new ATOM 0 HD21 ASN A 24 10.617 6.632 1.180 1.00 0.00 H new ATOM 0 HD22 ASN A 24 9.628 7.060 2.580 1.00 0.00 H new ATOM 414 N PRO A 25 7.035 12.175 1.322 1.00 0.00 N ATOM 415 CA PRO A 25 5.848 12.908 1.747 1.00 0.00 C ATOM 416 C PRO A 25 4.721 11.970 2.173 1.00 0.00 C ATOM 417 O PRO A 25 4.678 10.803 1.766 1.00 0.00 O ATOM 418 CB PRO A 25 5.460 13.679 0.490 1.00 0.00 C ATOM 419 CG PRO A 25 5.919 12.826 -0.644 1.00 0.00 C ATOM 420 CD PRO A 25 7.110 12.045 -0.148 1.00 0.00 C ATOM 0 HA PRO A 25 6.033 13.542 2.614 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.384 13.847 0.447 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.937 14.659 0.465 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.124 12.154 -0.969 1.00 0.00 H new ATOM 0 HG3 PRO A 25 6.190 13.439 -1.504 1.00 0.00 H new ATOM 0 HD2 PRO A 25 7.061 11.002 -0.460 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.044 12.451 -0.538 1.00 0.00 H new ATOM 428 N ARG A 26 3.817 12.476 3.005 1.00 0.00 N ATOM 429 CA ARG A 26 2.665 11.701 3.444 1.00 0.00 C ATOM 430 C ARG A 26 1.803 11.326 2.251 1.00 0.00 C ATOM 431 O ARG A 26 1.352 12.194 1.496 1.00 0.00 O ATOM 432 CB ARG A 26 1.839 12.480 4.469 1.00 0.00 C ATOM 433 CG ARG A 26 0.576 11.754 4.903 1.00 0.00 C ATOM 434 CD ARG A 26 -0.163 12.510 5.992 1.00 0.00 C ATOM 435 NE ARG A 26 -0.576 13.846 5.566 1.00 0.00 N ATOM 436 CZ ARG A 26 -1.557 14.534 6.139 1.00 0.00 C ATOM 437 NH1 ARG A 26 -2.271 13.993 7.123 1.00 0.00 N ATOM 438 NH2 ARG A 26 -1.840 15.760 5.722 1.00 0.00 N ATOM 0 H ARG A 26 3.861 13.420 3.388 1.00 0.00 H new ATOM 0 HA ARG A 26 3.028 10.791 3.922 1.00 0.00 H new ATOM 0 HB2 ARG A 26 2.455 12.678 5.346 1.00 0.00 H new ATOM 0 HB3 ARG A 26 1.566 13.447 4.046 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.081 11.621 4.043 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.835 10.758 5.263 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -1.042 11.940 6.292 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.478 12.594 6.870 1.00 0.00 H new ATOM 0 HE ARG A 26 -0.082 14.275 4.783 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -2.066 13.046 7.441 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.023 14.526 7.560 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -1.304 16.176 4.960 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -2.594 16.287 6.163 1.00 0.00 H new ATOM 452 N GLY A 27 1.584 10.034 2.085 1.00 0.00 N ATOM 453 CA GLY A 27 0.859 9.551 0.934 1.00 0.00 C ATOM 454 C GLY A 27 1.688 8.580 0.127 1.00 0.00 C ATOM 455 O GLY A 27 1.204 8.009 -0.850 1.00 0.00 O ATOM 0 H GLY A 27 1.897 9.308 2.730 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -0.060 9.064 1.259 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.568 10.393 0.306 1.00 0.00 H new ATOM 459 N THR A 28 2.943 8.417 0.535 1.00 0.00 N ATOM 460 CA THR A 28 3.837 7.442 -0.073 1.00 0.00 C ATOM 461 C THR A 28 3.338 6.026 0.206 1.00 0.00 C ATOM 462 O THR A 28 3.300 5.588 1.355 1.00 0.00 O ATOM 463 CB THR A 28 5.274 7.603 0.466 1.00 0.00 C ATOM 464 OG1 THR A 28 5.753 8.929 0.192 1.00 0.00 O ATOM 465 CG2 THR A 28 6.219 6.585 -0.157 1.00 0.00 C ATOM 0 H THR A 28 3.365 8.955 1.292 1.00 0.00 H new ATOM 0 HA THR A 28 3.848 7.616 -1.149 1.00 0.00 H new ATOM 0 HB THR A 28 5.248 7.433 1.542 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.488 9.529 0.920 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.222 6.727 0.245 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.874 5.578 0.076 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.239 6.721 -1.238 1.00 0.00 H new ATOM 473 N PHE A 29 2.937 5.321 -0.841 1.00 0.00 N ATOM 474 CA PHE A 29 2.351 4.000 -0.684 1.00 0.00 C ATOM 475 C PHE A 29 3.034 2.974 -1.576 1.00 0.00 C ATOM 476 O PHE A 29 3.787 3.330 -2.483 1.00 0.00 O ATOM 477 CB PHE A 29 0.857 4.042 -1.013 1.00 0.00 C ATOM 478 CG PHE A 29 0.553 4.296 -2.469 1.00 0.00 C ATOM 479 CD1 PHE A 29 0.515 5.585 -2.974 1.00 0.00 C ATOM 480 CD2 PHE A 29 0.299 3.238 -3.329 1.00 0.00 C ATOM 481 CE1 PHE A 29 0.230 5.815 -4.308 1.00 0.00 C ATOM 482 CE2 PHE A 29 0.015 3.461 -4.663 1.00 0.00 C ATOM 483 CZ PHE A 29 -0.022 4.752 -5.152 1.00 0.00 C ATOM 0 H PHE A 29 3.007 5.642 -1.807 1.00 0.00 H new ATOM 0 HA PHE A 29 2.493 3.701 0.355 1.00 0.00 H new ATOM 0 HB2 PHE A 29 0.404 3.095 -0.718 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.386 4.821 -0.413 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.710 6.421 -2.318 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.323 2.227 -2.951 1.00 0.00 H new ATOM 0 HE1 PHE A 29 0.205 6.825 -4.689 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.178 2.627 -5.322 1.00 0.00 H new ATOM 0 HZ PHE A 29 -0.248 4.930 -6.193 1.00 0.00 H new ATOM 493 N LEU A 30 2.757 1.708 -1.303 1.00 0.00 N ATOM 494 CA LEU A 30 3.200 0.606 -2.145 1.00 0.00 C ATOM 495 C LEU A 30 2.492 -0.665 -1.702 1.00 0.00 C ATOM 496 O LEU A 30 2.101 -0.788 -0.539 1.00 0.00 O ATOM 497 CB LEU A 30 4.729 0.420 -2.080 1.00 0.00 C ATOM 498 CG LEU A 30 5.281 -0.328 -0.856 1.00 0.00 C ATOM 499 CD1 LEU A 30 6.787 -0.484 -0.974 1.00 0.00 C ATOM 500 CD2 LEU A 30 4.932 0.386 0.438 1.00 0.00 C ATOM 0 H LEU A 30 2.217 1.415 -0.489 1.00 0.00 H new ATOM 0 HA LEU A 30 2.948 0.833 -3.181 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.045 -0.114 -2.976 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.194 1.405 -2.115 1.00 0.00 H new ATOM 0 HG LEU A 30 4.816 -1.314 -0.831 1.00 0.00 H new ATOM 0 HD11 LEU A 30 7.167 -1.015 -0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.025 -1.049 -1.875 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.251 0.500 -1.030 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.338 -0.171 1.282 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.358 1.389 0.426 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.848 0.453 0.536 1.00 0.00 H new ATOM 512 N VAL A 31 2.301 -1.596 -2.618 1.00 0.00 N ATOM 513 CA VAL A 31 1.662 -2.856 -2.283 1.00 0.00 C ATOM 514 C VAL A 31 2.658 -4.006 -2.343 1.00 0.00 C ATOM 515 O VAL A 31 3.260 -4.285 -3.388 1.00 0.00 O ATOM 516 CB VAL A 31 0.429 -3.153 -3.176 1.00 0.00 C ATOM 517 CG1 VAL A 31 0.694 -2.790 -4.619 1.00 0.00 C ATOM 518 CG2 VAL A 31 0.005 -4.614 -3.065 1.00 0.00 C ATOM 0 H VAL A 31 2.578 -1.505 -3.596 1.00 0.00 H new ATOM 0 HA VAL A 31 1.300 -2.760 -1.259 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.390 -2.531 -2.814 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -0.190 -3.010 -5.218 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.925 -1.727 -4.690 1.00 0.00 H new ATOM 0 HG13 VAL A 31 1.538 -3.370 -4.991 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -0.861 -4.791 -3.702 1.00 0.00 H new ATOM 0 HG22 VAL A 31 0.826 -5.256 -3.383 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.253 -4.840 -2.031 1.00 0.00 H new ATOM 528 N ARG A 32 2.836 -4.655 -1.207 1.00 0.00 N ATOM 529 CA ARG A 32 3.719 -5.797 -1.105 1.00 0.00 C ATOM 530 C ARG A 32 2.896 -7.076 -1.099 1.00 0.00 C ATOM 531 O ARG A 32 1.739 -7.077 -0.671 1.00 0.00 O ATOM 532 CB ARG A 32 4.561 -5.713 0.174 1.00 0.00 C ATOM 533 CG ARG A 32 3.754 -5.917 1.448 1.00 0.00 C ATOM 534 CD ARG A 32 4.617 -5.814 2.695 1.00 0.00 C ATOM 535 NE ARG A 32 5.063 -4.444 2.946 1.00 0.00 N ATOM 536 CZ ARG A 32 4.644 -3.703 3.971 1.00 0.00 C ATOM 537 NH1 ARG A 32 3.750 -4.189 4.824 1.00 0.00 N ATOM 538 NH2 ARG A 32 5.117 -2.474 4.141 1.00 0.00 N ATOM 0 H ARG A 32 2.373 -4.405 -0.333 1.00 0.00 H new ATOM 0 HA ARG A 32 4.392 -5.800 -1.962 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.350 -6.463 0.130 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.049 -4.739 0.215 1.00 0.00 H new ATOM 0 HG2 ARG A 32 2.959 -5.173 1.496 1.00 0.00 H new ATOM 0 HG3 ARG A 32 3.274 -6.895 1.420 1.00 0.00 H new ATOM 0 HD2 ARG A 32 4.053 -6.174 3.556 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.486 -6.463 2.588 1.00 0.00 H new ATOM 0 HE ARG A 32 5.734 -4.031 2.298 1.00 0.00 H new ATOM 0 HH11 ARG A 32 3.382 -5.132 4.695 1.00 0.00 H new ATOM 0 HH12 ARG A 32 3.431 -3.620 5.608 1.00 0.00 H new ATOM 0 HH21 ARG A 32 5.802 -2.096 3.486 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.795 -1.908 4.926 1.00 0.00 H new ATOM 552 N GLU A 33 3.485 -8.147 -1.586 1.00 0.00 N ATOM 553 CA GLU A 33 2.856 -9.451 -1.549 1.00 0.00 C ATOM 554 C GLU A 33 3.319 -10.187 -0.298 1.00 0.00 C ATOM 555 O GLU A 33 4.511 -10.441 -0.127 1.00 0.00 O ATOM 556 CB GLU A 33 3.212 -10.237 -2.813 1.00 0.00 C ATOM 557 CG GLU A 33 2.463 -11.549 -2.961 1.00 0.00 C ATOM 558 CD GLU A 33 2.702 -12.192 -4.310 1.00 0.00 C ATOM 559 OE1 GLU A 33 3.695 -12.939 -4.451 1.00 0.00 O ATOM 560 OE2 GLU A 33 1.904 -11.943 -5.240 1.00 0.00 O ATOM 0 H GLU A 33 4.409 -8.140 -2.017 1.00 0.00 H new ATOM 0 HA GLU A 33 1.772 -9.343 -1.515 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.008 -9.615 -3.684 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.283 -10.441 -2.811 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.774 -12.235 -2.173 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.396 -11.374 -2.828 1.00 0.00 H new ATOM 567 N SER A 34 2.384 -10.494 0.590 1.00 0.00 N ATOM 568 CA SER A 34 2.727 -11.085 1.871 1.00 0.00 C ATOM 569 C SER A 34 3.061 -12.560 1.717 1.00 0.00 C ATOM 570 O SER A 34 2.250 -13.350 1.229 1.00 0.00 O ATOM 571 CB SER A 34 1.584 -10.904 2.875 1.00 0.00 C ATOM 572 OG SER A 34 1.949 -11.391 4.159 1.00 0.00 O ATOM 0 H SER A 34 1.386 -10.343 0.446 1.00 0.00 H new ATOM 0 HA SER A 34 3.609 -10.570 2.251 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.321 -9.849 2.944 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.698 -11.431 2.521 1.00 0.00 H new ATOM 0 HG SER A 34 1.366 -10.992 4.838 1.00 0.00 H new ATOM 578 N GLU A 35 4.270 -12.922 2.117 1.00 0.00 N ATOM 579 CA GLU A 35 4.679 -14.312 2.132 1.00 0.00 C ATOM 580 C GLU A 35 4.389 -14.928 3.497 1.00 0.00 C ATOM 581 O GLU A 35 4.376 -16.148 3.653 1.00 0.00 O ATOM 582 CB GLU A 35 6.164 -14.444 1.807 1.00 0.00 C ATOM 583 CG GLU A 35 7.073 -13.773 2.823 1.00 0.00 C ATOM 584 CD GLU A 35 8.513 -14.208 2.681 1.00 0.00 C ATOM 585 OE1 GLU A 35 8.749 -15.311 2.146 1.00 0.00 O ATOM 586 OE2 GLU A 35 9.408 -13.474 3.137 1.00 0.00 O ATOM 0 H GLU A 35 4.985 -12.268 2.436 1.00 0.00 H new ATOM 0 HA GLU A 35 4.110 -14.844 1.370 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.421 -15.502 1.745 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.352 -14.012 0.824 1.00 0.00 H new ATOM 0 HG2 GLU A 35 7.009 -12.691 2.705 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.723 -14.005 3.829 1.00 0.00 H new ATOM 593 N THR A 36 4.155 -14.072 4.487 1.00 0.00 N ATOM 594 CA THR A 36 3.854 -14.536 5.829 1.00 0.00 C ATOM 595 C THR A 36 2.347 -14.744 5.973 1.00 0.00 C ATOM 596 O THR A 36 1.867 -15.360 6.929 1.00 0.00 O ATOM 597 CB THR A 36 4.385 -13.554 6.902 1.00 0.00 C ATOM 598 OG1 THR A 36 4.415 -14.195 8.184 1.00 0.00 O ATOM 599 CG2 THR A 36 3.533 -12.292 6.979 1.00 0.00 C ATOM 0 H THR A 36 4.169 -13.058 4.382 1.00 0.00 H new ATOM 0 HA THR A 36 4.361 -15.487 5.989 1.00 0.00 H new ATOM 0 HB THR A 36 5.395 -13.263 6.613 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.706 -14.870 8.229 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.936 -11.627 7.743 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.545 -11.786 6.014 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.508 -12.560 7.236 1.00 0.00 H new ATOM 607 N THR A 37 1.610 -14.210 5.011 1.00 0.00 N ATOM 608 CA THR A 37 0.187 -14.455 4.884 1.00 0.00 C ATOM 609 C THR A 37 -0.147 -14.636 3.407 1.00 0.00 C ATOM 610 O THR A 37 -0.373 -13.665 2.685 1.00 0.00 O ATOM 611 CB THR A 37 -0.646 -13.299 5.475 1.00 0.00 C ATOM 612 OG1 THR A 37 -0.250 -13.056 6.834 1.00 0.00 O ATOM 613 CG2 THR A 37 -2.130 -13.622 5.431 1.00 0.00 C ATOM 0 H THR A 37 1.988 -13.591 4.294 1.00 0.00 H new ATOM 0 HA THR A 37 -0.064 -15.356 5.444 1.00 0.00 H new ATOM 0 HB THR A 37 -0.465 -12.408 4.874 1.00 0.00 H new ATOM 0 HG1 THR A 37 -0.782 -12.320 7.203 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.696 -12.792 5.853 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.437 -13.782 4.397 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.323 -14.525 6.011 1.00 0.00 H new ATOM 621 N LYS A 38 -0.145 -15.884 2.960 1.00 0.00 N ATOM 622 CA LYS A 38 -0.302 -16.186 1.545 1.00 0.00 C ATOM 623 C LYS A 38 -1.720 -15.880 1.085 1.00 0.00 C ATOM 624 O LYS A 38 -2.686 -16.101 1.820 1.00 0.00 O ATOM 625 CB LYS A 38 0.043 -17.652 1.264 1.00 0.00 C ATOM 626 CG LYS A 38 1.413 -18.074 1.784 1.00 0.00 C ATOM 627 CD LYS A 38 2.547 -17.223 1.218 1.00 0.00 C ATOM 628 CE LYS A 38 2.958 -17.639 -0.191 1.00 0.00 C ATOM 629 NZ LYS A 38 1.913 -17.342 -1.205 1.00 0.00 N ATOM 0 H LYS A 38 -0.036 -16.704 3.557 1.00 0.00 H new ATOM 0 HA LYS A 38 0.387 -15.555 0.985 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.718 -18.288 1.716 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.004 -17.825 0.188 1.00 0.00 H new ATOM 0 HG2 LYS A 38 1.421 -18.005 2.872 1.00 0.00 H new ATOM 0 HG3 LYS A 38 1.587 -19.119 1.530 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.239 -16.178 1.207 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.411 -17.293 1.878 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.879 -17.124 -0.463 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.175 -18.707 -0.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.366 -17.053 -2.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.337 -18.192 -1.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.304 -16.573 -0.861 1.00 0.00 H new ATOM 643 N GLY A 39 -1.834 -15.356 -0.126 1.00 0.00 N ATOM 644 CA GLY A 39 -3.133 -15.006 -0.658 1.00 0.00 C ATOM 645 C GLY A 39 -3.601 -13.656 -0.160 1.00 0.00 C ATOM 646 O GLY A 39 -4.791 -13.348 -0.196 1.00 0.00 O ATOM 0 H GLY A 39 -1.049 -15.167 -0.750 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.089 -14.996 -1.747 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.859 -15.769 -0.376 1.00 0.00 H new ATOM 650 N ALA A 40 -2.659 -12.854 0.312 1.00 0.00 N ATOM 651 CA ALA A 40 -2.964 -11.530 0.814 1.00 0.00 C ATOM 652 C ALA A 40 -1.865 -10.554 0.431 1.00 0.00 C ATOM 653 O ALA A 40 -0.685 -10.912 0.382 1.00 0.00 O ATOM 654 CB ALA A 40 -3.132 -11.558 2.326 1.00 0.00 C ATOM 0 H ALA A 40 -1.671 -13.103 0.356 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.901 -11.200 0.365 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.361 -10.555 2.685 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.947 -12.232 2.589 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.209 -11.907 2.788 1.00 0.00 H new ATOM 660 N TYR A 41 -2.261 -9.332 0.143 1.00 0.00 N ATOM 661 CA TYR A 41 -1.318 -8.276 -0.164 1.00 0.00 C ATOM 662 C TYR A 41 -1.369 -7.227 0.932 1.00 0.00 C ATOM 663 O TYR A 41 -2.211 -7.298 1.824 1.00 0.00 O ATOM 664 CB TYR A 41 -1.637 -7.647 -1.523 1.00 0.00 C ATOM 665 CG TYR A 41 -1.376 -8.565 -2.694 1.00 0.00 C ATOM 666 CD1 TYR A 41 -2.305 -9.524 -3.079 1.00 0.00 C ATOM 667 CD2 TYR A 41 -0.190 -8.478 -3.410 1.00 0.00 C ATOM 668 CE1 TYR A 41 -2.059 -10.369 -4.145 1.00 0.00 C ATOM 669 CE2 TYR A 41 0.061 -9.318 -4.474 1.00 0.00 C ATOM 670 CZ TYR A 41 -0.874 -10.260 -4.839 1.00 0.00 C ATOM 671 OH TYR A 41 -0.620 -11.100 -5.900 1.00 0.00 O ATOM 0 H TYR A 41 -3.239 -9.043 0.115 1.00 0.00 H new ATOM 0 HA TYR A 41 -0.313 -8.696 -0.216 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.684 -7.344 -1.536 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.042 -6.742 -1.643 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -3.235 -9.611 -2.536 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.548 -7.741 -3.129 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -2.791 -11.110 -4.432 1.00 0.00 H new ATOM 0 HE2 TYR A 41 0.989 -9.237 -5.020 1.00 0.00 H new ATOM 0 HH TYR A 41 0.302 -11.427 -5.845 1.00 0.00 H new ATOM 681 N CYS A 42 -0.472 -6.268 0.888 1.00 0.00 N ATOM 682 CA CYS A 42 -0.478 -5.211 1.874 1.00 0.00 C ATOM 683 C CYS A 42 -0.169 -3.872 1.230 1.00 0.00 C ATOM 684 O CYS A 42 0.940 -3.646 0.746 1.00 0.00 O ATOM 685 CB CYS A 42 0.533 -5.506 2.983 1.00 0.00 C ATOM 686 SG CYS A 42 0.457 -4.354 4.377 1.00 0.00 S ATOM 0 H CYS A 42 0.265 -6.198 0.187 1.00 0.00 H new ATOM 0 HA CYS A 42 -1.475 -5.163 2.312 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.366 -6.518 3.352 1.00 0.00 H new ATOM 0 HB3 CYS A 42 1.537 -5.482 2.560 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.711 -3.783 4.405 1.00 0.00 H new ATOM 692 N LEU A 43 -1.166 -3.003 1.207 1.00 0.00 N ATOM 693 CA LEU A 43 -0.974 -1.643 0.757 1.00 0.00 C ATOM 694 C LEU A 43 -0.480 -0.830 1.942 1.00 0.00 C ATOM 695 O LEU A 43 -1.247 -0.482 2.842 1.00 0.00 O ATOM 696 CB LEU A 43 -2.285 -1.072 0.188 1.00 0.00 C ATOM 697 CG LEU A 43 -2.171 0.223 -0.637 1.00 0.00 C ATOM 698 CD1 LEU A 43 -1.786 1.408 0.234 1.00 0.00 C ATOM 699 CD2 LEU A 43 -1.171 0.061 -1.772 1.00 0.00 C ATOM 0 H LEU A 43 -2.119 -3.221 1.497 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.239 -1.604 -0.047 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.746 -1.836 -0.438 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.966 -0.888 1.019 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.154 0.421 -1.063 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.715 2.304 -0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.544 1.556 1.003 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.823 1.215 0.706 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.110 0.990 -2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.190 -0.179 -1.361 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.495 -0.745 -2.430 1.00 0.00 H new ATOM 711 N SER A 44 0.804 -0.567 1.957 1.00 0.00 N ATOM 712 CA SER A 44 1.422 0.122 3.064 1.00 0.00 C ATOM 713 C SER A 44 1.605 1.593 2.714 1.00 0.00 C ATOM 714 O SER A 44 2.196 1.926 1.687 1.00 0.00 O ATOM 715 CB SER A 44 2.759 -0.539 3.384 1.00 0.00 C ATOM 716 OG SER A 44 3.160 -0.292 4.718 1.00 0.00 O ATOM 0 H SER A 44 1.447 -0.823 1.207 1.00 0.00 H new ATOM 0 HA SER A 44 0.785 0.060 3.946 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.682 -1.614 3.221 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.522 -0.167 2.700 1.00 0.00 H new ATOM 0 HG SER A 44 3.017 -1.098 5.257 1.00 0.00 H new ATOM 722 N VAL A 45 1.073 2.466 3.552 1.00 0.00 N ATOM 723 CA VAL A 45 1.137 3.893 3.292 1.00 0.00 C ATOM 724 C VAL A 45 1.916 4.605 4.395 1.00 0.00 C ATOM 725 O VAL A 45 1.783 4.285 5.576 1.00 0.00 O ATOM 726 CB VAL A 45 -0.279 4.504 3.144 1.00 0.00 C ATOM 727 CG1 VAL A 45 -1.091 4.333 4.418 1.00 0.00 C ATOM 728 CG2 VAL A 45 -0.199 5.970 2.740 1.00 0.00 C ATOM 0 H VAL A 45 0.593 2.212 4.416 1.00 0.00 H new ATOM 0 HA VAL A 45 1.662 4.036 2.347 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.793 3.962 2.350 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.079 4.772 4.281 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.194 3.272 4.644 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.583 4.832 5.243 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.206 6.376 2.643 1.00 0.00 H new ATOM 0 HG22 VAL A 45 0.345 6.528 3.502 1.00 0.00 H new ATOM 0 HG23 VAL A 45 0.321 6.057 1.786 1.00 0.00 H new ATOM 738 N SER A 46 2.756 5.545 3.999 1.00 0.00 N ATOM 739 CA SER A 46 3.544 6.306 4.946 1.00 0.00 C ATOM 740 C SER A 46 2.799 7.572 5.364 1.00 0.00 C ATOM 741 O SER A 46 2.681 8.525 4.587 1.00 0.00 O ATOM 742 CB SER A 46 4.894 6.656 4.323 1.00 0.00 C ATOM 743 OG SER A 46 5.489 5.509 3.740 1.00 0.00 O ATOM 0 H SER A 46 2.909 5.799 3.023 1.00 0.00 H new ATOM 0 HA SER A 46 3.712 5.703 5.838 1.00 0.00 H new ATOM 0 HB2 SER A 46 4.761 7.428 3.565 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.556 7.068 5.085 1.00 0.00 H new ATOM 0 HG SER A 46 5.208 4.709 4.232 1.00 0.00 H new ATOM 749 N ASP A 47 2.277 7.561 6.583 1.00 0.00 N ATOM 750 CA ASP A 47 1.580 8.715 7.133 1.00 0.00 C ATOM 751 C ASP A 47 2.561 9.633 7.835 1.00 0.00 C ATOM 752 O ASP A 47 3.717 9.269 8.066 1.00 0.00 O ATOM 753 CB ASP A 47 0.492 8.292 8.123 1.00 0.00 C ATOM 754 CG ASP A 47 -0.824 7.956 7.454 1.00 0.00 C ATOM 755 OD1 ASP A 47 -1.533 8.895 7.036 1.00 0.00 O ATOM 756 OD2 ASP A 47 -1.168 6.757 7.379 1.00 0.00 O ATOM 0 H ASP A 47 2.324 6.760 7.213 1.00 0.00 H new ATOM 0 HA ASP A 47 1.109 9.241 6.302 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.838 7.425 8.685 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.332 9.095 8.842 1.00 0.00 H new ATOM 761 N PHE A 48 2.099 10.818 8.182 1.00 0.00 N ATOM 762 CA PHE A 48 2.926 11.777 8.885 1.00 0.00 C ATOM 763 C PHE A 48 2.098 12.554 9.891 1.00 0.00 C ATOM 764 O PHE A 48 1.087 13.168 9.546 1.00 0.00 O ATOM 765 CB PHE A 48 3.597 12.742 7.908 1.00 0.00 C ATOM 766 CG PHE A 48 4.549 13.695 8.575 1.00 0.00 C ATOM 767 CD1 PHE A 48 5.814 13.279 8.957 1.00 0.00 C ATOM 768 CD2 PHE A 48 4.174 15.005 8.827 1.00 0.00 C ATOM 769 CE1 PHE A 48 6.689 14.152 9.576 1.00 0.00 C ATOM 770 CE2 PHE A 48 5.046 15.881 9.446 1.00 0.00 C ATOM 771 CZ PHE A 48 6.304 15.454 9.823 1.00 0.00 C ATOM 0 H PHE A 48 1.151 11.140 7.987 1.00 0.00 H new ATOM 0 HA PHE A 48 3.703 11.225 9.414 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.136 12.169 7.154 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.829 13.312 7.386 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.120 12.261 8.769 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.191 15.345 8.537 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.673 13.815 9.866 1.00 0.00 H new ATOM 0 HE2 PHE A 48 4.743 16.900 9.635 1.00 0.00 H new ATOM 0 HZ PHE A 48 6.985 16.137 10.310 1.00 0.00 H new ATOM 781 N ASP A 49 2.531 12.507 11.134 1.00 0.00 N ATOM 782 CA ASP A 49 1.907 13.269 12.202 1.00 0.00 C ATOM 783 C ASP A 49 2.980 14.056 12.926 1.00 0.00 C ATOM 784 O ASP A 49 4.035 13.506 13.236 1.00 0.00 O ATOM 785 CB ASP A 49 1.199 12.344 13.200 1.00 0.00 C ATOM 786 CG ASP A 49 0.042 11.579 12.595 1.00 0.00 C ATOM 787 OD1 ASP A 49 -1.064 12.152 12.491 1.00 0.00 O ATOM 788 OD2 ASP A 49 0.226 10.398 12.237 1.00 0.00 O ATOM 0 H ASP A 49 3.324 11.941 11.435 1.00 0.00 H new ATOM 0 HA ASP A 49 1.163 13.938 11.769 1.00 0.00 H new ATOM 0 HB2 ASP A 49 1.922 11.635 13.603 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.834 12.938 14.038 1.00 0.00 H new ATOM 793 N ASN A 50 2.726 15.325 13.221 1.00 0.00 N ATOM 794 CA ASN A 50 3.720 16.142 13.917 1.00 0.00 C ATOM 795 C ASN A 50 3.667 15.855 15.414 1.00 0.00 C ATOM 796 O ASN A 50 3.547 16.758 16.244 1.00 0.00 O ATOM 797 CB ASN A 50 3.516 17.637 13.654 1.00 0.00 C ATOM 798 CG ASN A 50 4.735 18.449 14.062 1.00 0.00 C ATOM 799 OD1 ASN A 50 5.866 17.967 13.992 1.00 0.00 O ATOM 800 ND2 ASN A 50 4.520 19.684 14.490 1.00 0.00 N ATOM 0 H ASN A 50 1.856 15.807 12.995 1.00 0.00 H new ATOM 0 HA ASN A 50 4.703 15.876 13.529 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.310 17.796 12.596 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.643 17.988 14.205 1.00 0.00 H new ATOM 0 HD21 ASN A 50 5.305 20.269 14.775 1.00 0.00 H new ATOM 0 HD22 ASN A 50 3.569 20.050 14.535 1.00 0.00 H new ATOM 807 N ALA A 51 3.743 14.575 15.728 1.00 0.00 N ATOM 808 CA ALA A 51 3.686 14.078 17.087 1.00 0.00 C ATOM 809 C ALA A 51 4.156 12.632 17.113 1.00 0.00 C ATOM 810 O ALA A 51 4.642 12.143 18.128 1.00 0.00 O ATOM 811 CB ALA A 51 2.273 14.181 17.629 1.00 0.00 C ATOM 0 H ALA A 51 3.848 13.838 15.030 1.00 0.00 H new ATOM 0 HA ALA A 51 4.338 14.682 17.718 1.00 0.00 H new ATOM 0 HB1 ALA A 51 2.247 13.803 18.651 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.955 15.223 17.619 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.601 13.590 17.007 1.00 0.00 H new ATOM 817 N LYS A 52 3.997 11.954 15.982 1.00 0.00 N ATOM 818 CA LYS A 52 4.433 10.569 15.846 1.00 0.00 C ATOM 819 C LYS A 52 5.572 10.468 14.834 1.00 0.00 C ATOM 820 O LYS A 52 6.333 9.499 14.825 1.00 0.00 O ATOM 821 CB LYS A 52 3.268 9.689 15.381 1.00 0.00 C ATOM 822 CG LYS A 52 1.988 9.871 16.183 1.00 0.00 C ATOM 823 CD LYS A 52 0.869 8.994 15.640 1.00 0.00 C ATOM 824 CE LYS A 52 -0.449 9.254 16.350 1.00 0.00 C ATOM 825 NZ LYS A 52 -1.515 8.327 15.884 1.00 0.00 N ATOM 0 H LYS A 52 3.567 12.343 15.143 1.00 0.00 H new ATOM 0 HA LYS A 52 4.782 10.224 16.819 1.00 0.00 H new ATOM 0 HB2 LYS A 52 3.060 9.905 14.333 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.572 8.644 15.437 1.00 0.00 H new ATOM 0 HG2 LYS A 52 2.173 9.624 17.228 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.682 10.917 16.152 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.749 9.178 14.572 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.142 7.945 15.754 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.312 9.140 17.425 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.760 10.284 16.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.400 8.533 16.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.663 8.453 14.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -1.229 7.345 16.074 1.00 0.00 H new ATOM 839 N GLY A 53 5.680 11.477 13.984 1.00 0.00 N ATOM 840 CA GLY A 53 6.647 11.451 12.909 1.00 0.00 C ATOM 841 C GLY A 53 6.111 10.706 11.705 1.00 0.00 C ATOM 842 O GLY A 53 4.892 10.573 11.547 1.00 0.00 O ATOM 0 H GLY A 53 5.109 12.321 14.021 1.00 0.00 H new ATOM 0 HA2 GLY A 53 6.904 12.471 12.623 1.00 0.00 H new ATOM 0 HA3 GLY A 53 7.565 10.976 13.254 1.00 0.00 H new ATOM 846 N LEU A 54 7.005 10.230 10.853 1.00 0.00 N ATOM 847 CA LEU A 54 6.613 9.396 9.727 1.00 0.00 C ATOM 848 C LEU A 54 6.254 8.009 10.234 1.00 0.00 C ATOM 849 O LEU A 54 7.107 7.289 10.753 1.00 0.00 O ATOM 850 CB LEU A 54 7.732 9.289 8.681 1.00 0.00 C ATOM 851 CG LEU A 54 8.097 10.590 7.957 1.00 0.00 C ATOM 852 CD1 LEU A 54 9.050 11.431 8.790 1.00 0.00 C ATOM 853 CD2 LEU A 54 8.703 10.289 6.597 1.00 0.00 C ATOM 0 H LEU A 54 8.007 10.407 10.919 1.00 0.00 H new ATOM 0 HA LEU A 54 5.752 9.859 9.245 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.627 8.906 9.172 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.437 8.551 7.935 1.00 0.00 H new ATOM 0 HG LEU A 54 7.181 11.163 7.812 1.00 0.00 H new ATOM 0 HD11 LEU A 54 9.292 12.348 8.252 1.00 0.00 H new ATOM 0 HD12 LEU A 54 8.578 11.682 9.740 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.964 10.868 8.976 1.00 0.00 H new ATOM 0 HD21 LEU A 54 8.956 11.224 6.097 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.605 9.690 6.725 1.00 0.00 H new ATOM 0 HD23 LEU A 54 7.984 9.737 5.992 1.00 0.00 H new ATOM 865 N ASN A 55 4.991 7.646 10.106 1.00 0.00 N ATOM 866 CA ASN A 55 4.520 6.363 10.601 1.00 0.00 C ATOM 867 C ASN A 55 3.886 5.558 9.479 1.00 0.00 C ATOM 868 O ASN A 55 3.018 6.043 8.755 1.00 0.00 O ATOM 869 CB ASN A 55 3.541 6.542 11.772 1.00 0.00 C ATOM 870 CG ASN A 55 2.284 7.322 11.420 1.00 0.00 C ATOM 871 OD1 ASN A 55 1.263 6.744 11.046 1.00 0.00 O ATOM 872 ND2 ASN A 55 2.350 8.639 11.544 1.00 0.00 N ATOM 0 H ASN A 55 4.273 8.220 9.664 1.00 0.00 H new ATOM 0 HA ASN A 55 5.381 5.809 10.975 1.00 0.00 H new ATOM 0 HB2 ASN A 55 3.253 5.559 12.143 1.00 0.00 H new ATOM 0 HB3 ASN A 55 4.056 7.052 12.586 1.00 0.00 H new ATOM 0 HD21 ASN A 55 1.536 9.213 11.326 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.215 9.079 11.857 1.00 0.00 H new ATOM 879 N VAL A 56 4.347 4.330 9.320 1.00 0.00 N ATOM 880 CA VAL A 56 3.865 3.476 8.253 1.00 0.00 C ATOM 881 C VAL A 56 2.607 2.733 8.674 1.00 0.00 C ATOM 882 O VAL A 56 2.598 1.996 9.663 1.00 0.00 O ATOM 883 CB VAL A 56 4.944 2.470 7.800 1.00 0.00 C ATOM 884 CG1 VAL A 56 4.392 1.528 6.746 1.00 0.00 C ATOM 885 CG2 VAL A 56 6.159 3.210 7.266 1.00 0.00 C ATOM 0 H VAL A 56 5.055 3.903 9.917 1.00 0.00 H new ATOM 0 HA VAL A 56 3.625 4.123 7.409 1.00 0.00 H new ATOM 0 HB VAL A 56 5.246 1.876 8.663 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.169 0.827 6.441 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.547 0.976 7.158 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.062 2.103 5.881 1.00 0.00 H new ATOM 0 HG21 VAL A 56 6.914 2.490 6.949 1.00 0.00 H new ATOM 0 HG22 VAL A 56 5.865 3.825 6.416 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.571 3.846 8.049 1.00 0.00 H new ATOM 895 N LYS A 57 1.543 2.945 7.921 1.00 0.00 N ATOM 896 CA LYS A 57 0.269 2.319 8.201 1.00 0.00 C ATOM 897 C LYS A 57 0.053 1.146 7.253 1.00 0.00 C ATOM 898 O LYS A 57 -0.132 1.325 6.047 1.00 0.00 O ATOM 899 CB LYS A 57 -0.848 3.350 8.064 1.00 0.00 C ATOM 900 CG LYS A 57 -2.187 2.900 8.621 1.00 0.00 C ATOM 901 CD LYS A 57 -3.200 4.044 8.652 1.00 0.00 C ATOM 902 CE LYS A 57 -2.958 5.015 9.808 1.00 0.00 C ATOM 903 NZ LYS A 57 -1.641 5.705 9.723 1.00 0.00 N ATOM 0 H LYS A 57 1.540 3.553 7.102 1.00 0.00 H new ATOM 0 HA LYS A 57 0.261 1.938 9.222 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.546 4.265 8.573 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.971 3.597 7.009 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.578 2.084 8.013 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.049 2.509 9.629 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.155 4.589 7.709 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.206 3.631 8.734 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.753 5.761 9.821 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.017 4.471 10.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.699 6.624 10.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.912 5.120 10.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.391 5.854 8.725 1.00 0.00 H new ATOM 917 N HIS A 58 0.100 -0.056 7.805 1.00 0.00 N ATOM 918 CA HIS A 58 -0.005 -1.268 7.007 1.00 0.00 C ATOM 919 C HIS A 58 -1.461 -1.686 6.852 1.00 0.00 C ATOM 920 O HIS A 58 -2.047 -2.285 7.758 1.00 0.00 O ATOM 921 CB HIS A 58 0.784 -2.415 7.651 1.00 0.00 C ATOM 922 CG HIS A 58 2.230 -2.104 7.909 1.00 0.00 C ATOM 923 ND1 HIS A 58 3.223 -2.507 7.044 1.00 0.00 N ATOM 924 CD2 HIS A 58 2.793 -1.456 8.957 1.00 0.00 C ATOM 925 CE1 HIS A 58 4.359 -2.095 7.586 1.00 0.00 C ATOM 926 NE2 HIS A 58 4.144 -1.457 8.740 1.00 0.00 N ATOM 0 H HIS A 58 0.211 -0.219 8.806 1.00 0.00 H new ATOM 0 HA HIS A 58 0.414 -1.053 6.024 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.308 -2.682 8.595 1.00 0.00 H new ATOM 0 HB3 HIS A 58 0.723 -3.290 7.004 1.00 0.00 H new ATOM 0 HD2 HIS A 58 2.276 -1.023 9.800 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.334 -2.254 7.151 1.00 0.00 H new ATOM 0 HE2 HIS A 58 4.855 -1.047 9.346 1.00 0.00 H new ATOM 934 N TYR A 59 -2.052 -1.362 5.714 1.00 0.00 N ATOM 935 CA TYR A 59 -3.394 -1.828 5.409 1.00 0.00 C ATOM 936 C TYR A 59 -3.324 -3.149 4.660 1.00 0.00 C ATOM 937 O TYR A 59 -2.429 -3.365 3.839 1.00 0.00 O ATOM 938 CB TYR A 59 -4.180 -0.787 4.607 1.00 0.00 C ATOM 939 CG TYR A 59 -4.913 0.205 5.482 1.00 0.00 C ATOM 940 CD1 TYR A 59 -5.999 -0.200 6.249 1.00 0.00 C ATOM 941 CD2 TYR A 59 -4.527 1.535 5.548 1.00 0.00 C ATOM 942 CE1 TYR A 59 -6.678 0.691 7.056 1.00 0.00 C ATOM 943 CE2 TYR A 59 -5.202 2.433 6.353 1.00 0.00 C ATOM 944 CZ TYR A 59 -6.279 2.006 7.104 1.00 0.00 C ATOM 945 OH TYR A 59 -6.950 2.893 7.914 1.00 0.00 O ATOM 0 H TYR A 59 -1.627 -0.782 4.991 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.925 -1.981 6.348 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.495 -0.248 3.952 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.899 -1.298 3.966 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.318 -1.231 6.213 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.686 1.874 4.961 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.518 0.357 7.647 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -4.888 3.466 6.394 1.00 0.00 H new ATOM 0 HH TYR A 59 -7.682 3.307 7.410 1.00 0.00 H new ATOM 955 N LYS A 60 -4.262 -4.033 4.953 1.00 0.00 N ATOM 956 CA LYS A 60 -4.218 -5.386 4.430 1.00 0.00 C ATOM 957 C LYS A 60 -5.136 -5.533 3.224 1.00 0.00 C ATOM 958 O LYS A 60 -6.292 -5.120 3.258 1.00 0.00 O ATOM 959 CB LYS A 60 -4.620 -6.380 5.521 1.00 0.00 C ATOM 960 CG LYS A 60 -3.816 -6.226 6.800 1.00 0.00 C ATOM 961 CD LYS A 60 -2.349 -6.581 6.597 1.00 0.00 C ATOM 962 CE LYS A 60 -2.139 -8.085 6.515 1.00 0.00 C ATOM 963 NZ LYS A 60 -2.541 -8.765 7.776 1.00 0.00 N ATOM 0 H LYS A 60 -5.064 -3.837 5.551 1.00 0.00 H new ATOM 0 HA LYS A 60 -3.198 -5.598 4.109 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.678 -6.252 5.748 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -4.496 -7.394 5.142 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.895 -5.199 7.156 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.240 -6.865 7.574 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.985 -6.113 5.683 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -1.760 -6.176 7.420 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -2.717 -8.489 5.683 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.090 -8.295 6.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -2.074 -9.693 7.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.257 -8.183 8.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -3.573 -8.895 7.787 1.00 0.00 H new ATOM 977 N ILE A 61 -4.604 -6.117 2.167 1.00 0.00 N ATOM 978 CA ILE A 61 -5.369 -6.363 0.960 1.00 0.00 C ATOM 979 C ILE A 61 -5.858 -7.805 0.947 1.00 0.00 C ATOM 980 O ILE A 61 -5.109 -8.729 0.614 1.00 0.00 O ATOM 981 CB ILE A 61 -4.538 -6.072 -0.313 1.00 0.00 C ATOM 982 CG1 ILE A 61 -4.164 -4.588 -0.373 1.00 0.00 C ATOM 983 CG2 ILE A 61 -5.298 -6.489 -1.567 1.00 0.00 C ATOM 984 CD1 ILE A 61 -3.359 -4.208 -1.596 1.00 0.00 C ATOM 0 H ILE A 61 -3.635 -6.433 2.121 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.223 -5.686 0.958 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.621 -6.660 -0.267 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.077 -3.992 -0.351 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -3.594 -4.331 0.520 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.693 -6.274 -2.448 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.511 -7.557 -1.525 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -6.234 -5.934 -1.626 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.133 -3.142 -1.566 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.429 -4.776 -1.610 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.934 -4.432 -2.494 1.00 0.00 H new ATOM 996 N ARG A 62 -7.109 -7.984 1.339 1.00 0.00 N ATOM 997 CA ARG A 62 -7.714 -9.303 1.417 1.00 0.00 C ATOM 998 C ARG A 62 -8.224 -9.721 0.047 1.00 0.00 C ATOM 999 O ARG A 62 -8.595 -8.875 -0.771 1.00 0.00 O ATOM 1000 CB ARG A 62 -8.869 -9.295 2.422 1.00 0.00 C ATOM 1001 CG ARG A 62 -8.482 -8.799 3.803 1.00 0.00 C ATOM 1002 CD ARG A 62 -9.702 -8.681 4.700 1.00 0.00 C ATOM 1003 NE ARG A 62 -9.391 -8.039 5.975 1.00 0.00 N ATOM 1004 CZ ARG A 62 -9.975 -6.917 6.395 1.00 0.00 C ATOM 1005 NH1 ARG A 62 -10.883 -6.313 5.636 1.00 0.00 N ATOM 1006 NH2 ARG A 62 -9.658 -6.398 7.576 1.00 0.00 N ATOM 0 H ARG A 62 -7.731 -7.223 1.611 1.00 0.00 H new ATOM 0 HA ARG A 62 -6.961 -10.017 1.751 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -9.671 -8.667 2.033 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -9.269 -10.305 2.509 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.762 -9.484 4.251 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.991 -7.829 3.721 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -10.474 -8.109 4.186 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -10.111 -9.674 4.886 1.00 0.00 H new ATOM 0 HE ARG A 62 -8.690 -8.472 6.576 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -11.134 -6.708 4.730 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -11.329 -5.454 5.960 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.965 -6.858 8.166 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.108 -5.539 7.893 1.00 0.00 H new ATOM 1020 N LYS A 63 -8.243 -11.019 -0.205 1.00 0.00 N ATOM 1021 CA LYS A 63 -8.678 -11.533 -1.491 1.00 0.00 C ATOM 1022 C LYS A 63 -10.015 -12.247 -1.386 1.00 0.00 C ATOM 1023 O LYS A 63 -10.208 -13.124 -0.541 1.00 0.00 O ATOM 1024 CB LYS A 63 -7.627 -12.480 -2.073 1.00 0.00 C ATOM 1025 CG LYS A 63 -6.579 -11.783 -2.925 1.00 0.00 C ATOM 1026 CD LYS A 63 -5.470 -12.736 -3.352 1.00 0.00 C ATOM 1027 CE LYS A 63 -6.016 -13.995 -4.021 1.00 0.00 C ATOM 1028 NZ LYS A 63 -6.777 -13.696 -5.265 1.00 0.00 N ATOM 0 H LYS A 63 -7.962 -11.735 0.464 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.802 -10.680 -2.158 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.129 -13.002 -1.256 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.128 -13.237 -2.676 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.054 -11.359 -3.810 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.149 -10.953 -2.365 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.798 -12.223 -4.040 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.879 -13.017 -2.480 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -5.189 -14.665 -4.257 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.664 -14.523 -3.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.097 -14.586 -5.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -7.602 -13.107 -5.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.164 -13.187 -5.933 1.00 0.00 H new ATOM 1042 N LEU A 64 -10.940 -11.851 -2.244 1.00 0.00 N ATOM 1043 CA LEU A 64 -12.199 -12.558 -2.400 1.00 0.00 C ATOM 1044 C LEU A 64 -12.036 -13.616 -3.476 1.00 0.00 C ATOM 1045 O LEU A 64 -11.447 -13.351 -4.522 1.00 0.00 O ATOM 1046 CB LEU A 64 -13.321 -11.597 -2.796 1.00 0.00 C ATOM 1047 CG LEU A 64 -13.784 -10.638 -1.701 1.00 0.00 C ATOM 1048 CD1 LEU A 64 -14.808 -9.663 -2.256 1.00 0.00 C ATOM 1049 CD2 LEU A 64 -14.371 -11.410 -0.530 1.00 0.00 C ATOM 0 H LEU A 64 -10.840 -11.035 -2.848 1.00 0.00 H new ATOM 0 HA LEU A 64 -12.465 -13.020 -1.449 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.987 -11.010 -3.651 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -14.178 -12.184 -3.127 1.00 0.00 H new ATOM 0 HG LEU A 64 -12.921 -10.075 -1.345 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.130 -8.985 -1.466 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -14.361 -9.089 -3.067 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -15.669 -10.215 -2.634 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -14.696 -10.711 0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -15.225 -11.996 -0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.614 -12.078 -0.118 1.00 0.00 H new ATOM 1061 N ASP A 65 -12.555 -14.806 -3.228 1.00 0.00 N ATOM 1062 CA ASP A 65 -12.375 -15.918 -4.153 1.00 0.00 C ATOM 1063 C ASP A 65 -13.311 -15.785 -5.351 1.00 0.00 C ATOM 1064 O ASP A 65 -13.163 -16.478 -6.354 1.00 0.00 O ATOM 1065 CB ASP A 65 -12.605 -17.249 -3.433 1.00 0.00 C ATOM 1066 CG ASP A 65 -12.188 -18.442 -4.267 1.00 0.00 C ATOM 1067 OD1 ASP A 65 -10.998 -18.531 -4.634 1.00 0.00 O ATOM 1068 OD2 ASP A 65 -13.043 -19.307 -4.543 1.00 0.00 O ATOM 0 H ASP A 65 -13.103 -15.030 -2.397 1.00 0.00 H new ATOM 0 HA ASP A 65 -11.350 -15.895 -4.523 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -12.047 -17.252 -2.497 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -13.660 -17.341 -3.176 1.00 0.00 H new ATOM 1073 N SER A 66 -14.270 -14.878 -5.243 1.00 0.00 N ATOM 1074 CA SER A 66 -15.191 -14.607 -6.334 1.00 0.00 C ATOM 1075 C SER A 66 -15.372 -13.100 -6.516 1.00 0.00 C ATOM 1076 O SER A 66 -16.484 -12.619 -6.722 1.00 0.00 O ATOM 1077 CB SER A 66 -16.542 -15.268 -6.057 1.00 0.00 C ATOM 1078 OG SER A 66 -16.384 -16.641 -5.738 1.00 0.00 O ATOM 0 H SER A 66 -14.430 -14.316 -4.407 1.00 0.00 H new ATOM 0 HA SER A 66 -14.775 -15.022 -7.252 1.00 0.00 H new ATOM 0 HB2 SER A 66 -17.039 -14.755 -5.233 1.00 0.00 H new ATOM 0 HB3 SER A 66 -17.186 -15.166 -6.931 1.00 0.00 H new ATOM 0 HG SER A 66 -17.262 -17.040 -5.564 1.00 0.00 H new ATOM 1084 N GLY A 67 -14.275 -12.354 -6.433 1.00 0.00 N ATOM 1085 CA GLY A 67 -14.363 -10.911 -6.556 1.00 0.00 C ATOM 1086 C GLY A 67 -13.044 -10.273 -6.941 1.00 0.00 C ATOM 1087 O GLY A 67 -12.883 -9.792 -8.063 1.00 0.00 O ATOM 0 H GLY A 67 -13.334 -12.719 -6.284 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -15.115 -10.660 -7.304 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -14.702 -10.490 -5.609 1.00 0.00 H new ATOM 1091 N GLY A 68 -12.101 -10.270 -6.011 1.00 0.00 N ATOM 1092 CA GLY A 68 -10.812 -9.667 -6.266 1.00 0.00 C ATOM 1093 C GLY A 68 -10.105 -9.263 -4.990 1.00 0.00 C ATOM 1094 O GLY A 68 -9.914 -10.083 -4.094 1.00 0.00 O ATOM 0 H GLY A 68 -12.207 -10.676 -5.081 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -10.188 -10.369 -6.818 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -10.943 -8.790 -6.900 1.00 0.00 H new ATOM 1098 N PHE A 69 -9.751 -7.993 -4.898 1.00 0.00 N ATOM 1099 CA PHE A 69 -8.983 -7.482 -3.774 1.00 0.00 C ATOM 1100 C PHE A 69 -9.768 -6.396 -3.050 1.00 0.00 C ATOM 1101 O PHE A 69 -10.494 -5.622 -3.683 1.00 0.00 O ATOM 1102 CB PHE A 69 -7.654 -6.890 -4.259 1.00 0.00 C ATOM 1103 CG PHE A 69 -6.854 -7.800 -5.150 1.00 0.00 C ATOM 1104 CD1 PHE A 69 -5.967 -8.718 -4.616 1.00 0.00 C ATOM 1105 CD2 PHE A 69 -6.984 -7.726 -6.529 1.00 0.00 C ATOM 1106 CE1 PHE A 69 -5.227 -9.548 -5.437 1.00 0.00 C ATOM 1107 CE2 PHE A 69 -6.247 -8.552 -7.355 1.00 0.00 C ATOM 1108 CZ PHE A 69 -5.367 -9.465 -6.808 1.00 0.00 C ATOM 0 H PHE A 69 -9.986 -7.289 -5.597 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.787 -8.311 -3.094 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.858 -5.964 -4.796 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -7.049 -6.628 -3.391 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.851 -8.787 -3.544 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -7.670 -7.013 -6.962 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -4.540 -10.261 -5.006 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -6.359 -8.484 -8.427 1.00 0.00 H new ATOM 0 HZ PHE A 69 -4.790 -10.113 -7.451 1.00 0.00 H new ATOM 1118 N TYR A 70 -9.632 -6.338 -1.732 1.00 0.00 N ATOM 1119 CA TYR A 70 -10.254 -5.275 -0.954 1.00 0.00 C ATOM 1120 C TYR A 70 -9.531 -5.080 0.373 1.00 0.00 C ATOM 1121 O TYR A 70 -9.165 -6.043 1.048 1.00 0.00 O ATOM 1122 CB TYR A 70 -11.743 -5.564 -0.716 1.00 0.00 C ATOM 1123 CG TYR A 70 -12.039 -6.696 0.249 1.00 0.00 C ATOM 1124 CD1 TYR A 70 -11.828 -8.022 -0.106 1.00 0.00 C ATOM 1125 CD2 TYR A 70 -12.560 -6.433 1.509 1.00 0.00 C ATOM 1126 CE1 TYR A 70 -12.126 -9.048 0.771 1.00 0.00 C ATOM 1127 CE2 TYR A 70 -12.855 -7.451 2.390 1.00 0.00 C ATOM 1128 CZ TYR A 70 -12.639 -8.757 2.017 1.00 0.00 C ATOM 1129 OH TYR A 70 -12.943 -9.778 2.886 1.00 0.00 O ATOM 0 H TYR A 70 -9.099 -7.011 -1.181 1.00 0.00 H new ATOM 0 HA TYR A 70 -10.174 -4.352 -1.529 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.217 -4.657 -0.341 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -12.209 -5.795 -1.674 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -11.426 -8.255 -1.081 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -12.738 -5.410 1.805 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -11.957 -10.075 0.481 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -13.254 -7.224 3.368 1.00 0.00 H new ATOM 0 HH TYR A 70 -13.293 -9.403 3.721 1.00 0.00 H new ATOM 1139 N ILE A 71 -9.314 -3.821 0.729 1.00 0.00 N ATOM 1140 CA ILE A 71 -8.654 -3.479 1.982 1.00 0.00 C ATOM 1141 C ILE A 71 -9.680 -3.394 3.109 1.00 0.00 C ATOM 1142 O ILE A 71 -9.386 -3.682 4.271 1.00 0.00 O ATOM 1143 CB ILE A 71 -7.885 -2.140 1.857 1.00 0.00 C ATOM 1144 CG1 ILE A 71 -6.732 -2.290 0.859 1.00 0.00 C ATOM 1145 CG2 ILE A 71 -7.366 -1.669 3.213 1.00 0.00 C ATOM 1146 CD1 ILE A 71 -5.902 -1.037 0.682 1.00 0.00 C ATOM 0 H ILE A 71 -9.587 -3.016 0.165 1.00 0.00 H new ATOM 0 HA ILE A 71 -7.934 -4.264 2.214 1.00 0.00 H new ATOM 0 HB ILE A 71 -8.576 -1.382 1.489 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -6.082 -3.100 1.190 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -7.139 -2.583 -0.109 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.831 -0.727 3.091 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.205 -1.524 3.893 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -6.691 -2.419 3.625 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -5.107 -1.226 -0.040 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -6.537 -0.228 0.320 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -5.463 -0.753 1.639 1.00 0.00 H new ATOM 1158 N THR A 72 -10.892 -3.016 2.746 1.00 0.00 N ATOM 1159 CA THR A 72 -11.979 -2.902 3.695 1.00 0.00 C ATOM 1160 C THR A 72 -13.267 -3.409 3.055 1.00 0.00 C ATOM 1161 O THR A 72 -13.380 -3.445 1.826 1.00 0.00 O ATOM 1162 CB THR A 72 -12.146 -1.435 4.162 1.00 0.00 C ATOM 1163 OG1 THR A 72 -13.176 -1.341 5.153 1.00 0.00 O ATOM 1164 CG2 THR A 72 -12.475 -0.517 2.991 1.00 0.00 C ATOM 0 H THR A 72 -11.148 -2.780 1.787 1.00 0.00 H new ATOM 0 HA THR A 72 -11.751 -3.509 4.571 1.00 0.00 H new ATOM 0 HB THR A 72 -11.198 -1.115 4.595 1.00 0.00 H new ATOM 0 HG1 THR A 72 -13.269 -0.409 5.440 1.00 0.00 H new ATOM 0 HG21 THR A 72 -12.586 0.506 3.351 1.00 0.00 H new ATOM 0 HG22 THR A 72 -11.669 -0.558 2.259 1.00 0.00 H new ATOM 0 HG23 THR A 72 -13.406 -0.841 2.525 1.00 0.00 H new ATOM 1172 N SER A 73 -14.228 -3.812 3.882 1.00 0.00 N ATOM 1173 CA SER A 73 -15.500 -4.357 3.401 1.00 0.00 C ATOM 1174 C SER A 73 -16.412 -3.257 2.852 1.00 0.00 C ATOM 1175 O SER A 73 -17.619 -3.243 3.102 1.00 0.00 O ATOM 1176 CB SER A 73 -16.203 -5.105 4.534 1.00 0.00 C ATOM 1177 OG SER A 73 -15.401 -6.174 5.015 1.00 0.00 O ATOM 0 H SER A 73 -14.151 -3.772 4.898 1.00 0.00 H new ATOM 0 HA SER A 73 -15.285 -5.047 2.585 1.00 0.00 H new ATOM 0 HB2 SER A 73 -16.422 -4.415 5.349 1.00 0.00 H new ATOM 0 HB3 SER A 73 -17.158 -5.493 4.180 1.00 0.00 H new ATOM 0 HG SER A 73 -15.872 -6.636 5.740 1.00 0.00 H new ATOM 1183 N ARG A 74 -15.817 -2.348 2.101 1.00 0.00 N ATOM 1184 CA ARG A 74 -16.530 -1.240 1.494 1.00 0.00 C ATOM 1185 C ARG A 74 -16.264 -1.223 -0.004 1.00 0.00 C ATOM 1186 O ARG A 74 -17.133 -1.566 -0.810 1.00 0.00 O ATOM 1187 CB ARG A 74 -16.074 0.079 2.114 1.00 0.00 C ATOM 1188 CG ARG A 74 -16.415 0.217 3.586 1.00 0.00 C ATOM 1189 CD ARG A 74 -15.705 1.410 4.205 1.00 0.00 C ATOM 1190 NE ARG A 74 -15.750 2.585 3.336 1.00 0.00 N ATOM 1191 CZ ARG A 74 -16.448 3.686 3.596 1.00 0.00 C ATOM 1192 NH1 ARG A 74 -17.172 3.781 4.707 1.00 0.00 N ATOM 1193 NH2 ARG A 74 -16.417 4.700 2.742 1.00 0.00 N ATOM 0 H ARG A 74 -14.818 -2.358 1.894 1.00 0.00 H new ATOM 0 HA ARG A 74 -17.598 -1.363 1.671 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -14.995 0.173 1.991 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -16.531 0.904 1.567 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -17.493 0.331 3.703 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -16.131 -0.693 4.115 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -16.166 1.650 5.163 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -14.666 1.149 4.408 1.00 0.00 H new ATOM 0 HE ARG A 74 -15.209 2.558 2.472 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -17.195 3.005 5.369 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -17.704 4.630 4.898 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -15.859 4.633 1.891 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -16.951 5.547 2.937 1.00 0.00 H new ATOM 1207 N THR A 75 -15.048 -0.845 -0.361 1.00 0.00 N ATOM 1208 CA THR A 75 -14.628 -0.793 -1.740 1.00 0.00 C ATOM 1209 C THR A 75 -13.892 -2.065 -2.133 1.00 0.00 C ATOM 1210 O THR A 75 -12.920 -2.464 -1.488 1.00 0.00 O ATOM 1211 CB THR A 75 -13.723 0.418 -1.964 1.00 0.00 C ATOM 1212 OG1 THR A 75 -13.135 0.816 -0.717 1.00 0.00 O ATOM 1213 CG2 THR A 75 -14.500 1.565 -2.579 1.00 0.00 C ATOM 0 H THR A 75 -14.327 -0.566 0.304 1.00 0.00 H new ATOM 0 HA THR A 75 -15.517 -0.703 -2.364 1.00 0.00 H new ATOM 0 HB THR A 75 -12.930 0.142 -2.660 1.00 0.00 H new ATOM 0 HG1 THR A 75 -13.724 1.457 -0.267 1.00 0.00 H new ATOM 0 HG21 THR A 75 -13.835 2.416 -2.729 1.00 0.00 H new ATOM 0 HG22 THR A 75 -14.912 1.252 -3.539 1.00 0.00 H new ATOM 0 HG23 THR A 75 -15.313 1.853 -1.912 1.00 0.00 H new ATOM 1221 N GLN A 76 -14.367 -2.697 -3.194 1.00 0.00 N ATOM 1222 CA GLN A 76 -13.804 -3.959 -3.654 1.00 0.00 C ATOM 1223 C GLN A 76 -13.533 -3.891 -5.150 1.00 0.00 C ATOM 1224 O GLN A 76 -14.395 -3.475 -5.925 1.00 0.00 O ATOM 1225 CB GLN A 76 -14.761 -5.111 -3.335 1.00 0.00 C ATOM 1226 CG GLN A 76 -15.092 -5.223 -1.855 1.00 0.00 C ATOM 1227 CD GLN A 76 -16.088 -6.323 -1.545 1.00 0.00 C ATOM 1228 OE1 GLN A 76 -16.938 -6.657 -2.366 1.00 0.00 O ATOM 1229 NE2 GLN A 76 -15.998 -6.884 -0.349 1.00 0.00 N ATOM 0 H GLN A 76 -15.146 -2.355 -3.757 1.00 0.00 H new ATOM 0 HA GLN A 76 -12.862 -4.139 -3.136 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -15.684 -4.974 -3.898 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -14.317 -6.047 -3.673 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -14.174 -5.406 -1.297 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -15.492 -4.271 -1.506 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -15.277 -6.578 0.305 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -16.649 -7.622 -0.082 1.00 0.00 H new ATOM 1238 N PHE A 77 -12.335 -4.289 -5.550 1.00 0.00 N ATOM 1239 CA PHE A 77 -11.922 -4.179 -6.940 1.00 0.00 C ATOM 1240 C PHE A 77 -11.334 -5.493 -7.432 1.00 0.00 C ATOM 1241 O PHE A 77 -10.695 -6.217 -6.675 1.00 0.00 O ATOM 1242 CB PHE A 77 -10.904 -3.047 -7.099 1.00 0.00 C ATOM 1243 CG PHE A 77 -11.441 -1.714 -6.668 1.00 0.00 C ATOM 1244 CD1 PHE A 77 -12.241 -0.965 -7.518 1.00 0.00 C ATOM 1245 CD2 PHE A 77 -11.161 -1.217 -5.407 1.00 0.00 C ATOM 1246 CE1 PHE A 77 -12.748 0.254 -7.118 1.00 0.00 C ATOM 1247 CE2 PHE A 77 -11.667 0.002 -5.001 1.00 0.00 C ATOM 1248 CZ PHE A 77 -12.461 0.739 -5.857 1.00 0.00 C ATOM 0 H PHE A 77 -11.631 -4.691 -4.931 1.00 0.00 H new ATOM 0 HA PHE A 77 -12.800 -3.950 -7.544 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -10.014 -3.281 -6.515 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -10.594 -2.988 -8.142 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -12.470 -1.340 -8.504 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -10.540 -1.789 -4.733 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -13.369 0.828 -7.790 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -11.442 0.379 -4.014 1.00 0.00 H new ATOM 0 HZ PHE A 77 -12.857 1.693 -5.541 1.00 0.00 H new ATOM 1258 N SER A 78 -11.546 -5.790 -8.704 1.00 0.00 N ATOM 1259 CA SER A 78 -11.146 -7.072 -9.270 1.00 0.00 C ATOM 1260 C SER A 78 -9.673 -7.085 -9.685 1.00 0.00 C ATOM 1261 O SER A 78 -9.186 -8.071 -10.241 1.00 0.00 O ATOM 1262 CB SER A 78 -12.030 -7.401 -10.470 1.00 0.00 C ATOM 1263 OG SER A 78 -13.399 -7.344 -10.112 1.00 0.00 O ATOM 0 H SER A 78 -11.995 -5.159 -9.368 1.00 0.00 H new ATOM 0 HA SER A 78 -11.272 -7.830 -8.497 1.00 0.00 H new ATOM 0 HB2 SER A 78 -11.831 -6.698 -11.279 1.00 0.00 H new ATOM 0 HB3 SER A 78 -11.788 -8.395 -10.845 1.00 0.00 H new ATOM 0 HG SER A 78 -13.590 -8.030 -9.439 1.00 0.00 H new ATOM 1269 N SER A 79 -8.968 -5.994 -9.424 1.00 0.00 N ATOM 1270 CA SER A 79 -7.555 -5.901 -9.759 1.00 0.00 C ATOM 1271 C SER A 79 -6.848 -4.943 -8.808 1.00 0.00 C ATOM 1272 O SER A 79 -7.485 -4.068 -8.217 1.00 0.00 O ATOM 1273 CB SER A 79 -7.380 -5.435 -11.209 1.00 0.00 C ATOM 1274 OG SER A 79 -8.047 -6.303 -12.115 1.00 0.00 O ATOM 0 H SER A 79 -9.352 -5.160 -8.981 1.00 0.00 H new ATOM 0 HA SER A 79 -7.108 -6.890 -9.655 1.00 0.00 H new ATOM 0 HB2 SER A 79 -7.770 -4.423 -11.318 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.319 -5.395 -11.455 1.00 0.00 H new ATOM 0 HG SER A 79 -7.919 -5.980 -13.031 1.00 0.00 H new ATOM 1280 N LEU A 80 -5.538 -5.106 -8.667 1.00 0.00 N ATOM 1281 CA LEU A 80 -4.750 -4.263 -7.775 1.00 0.00 C ATOM 1282 C LEU A 80 -4.719 -2.824 -8.276 1.00 0.00 C ATOM 1283 O LEU A 80 -4.880 -1.885 -7.498 1.00 0.00 O ATOM 1284 CB LEU A 80 -3.324 -4.807 -7.648 1.00 0.00 C ATOM 1285 CG LEU A 80 -3.183 -6.138 -6.907 1.00 0.00 C ATOM 1286 CD1 LEU A 80 -1.747 -6.635 -6.983 1.00 0.00 C ATOM 1287 CD2 LEU A 80 -3.611 -5.985 -5.455 1.00 0.00 C ATOM 0 H LEU A 80 -4.997 -5.816 -9.160 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.221 -4.276 -6.792 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.910 -4.924 -8.649 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.715 -4.062 -7.136 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.832 -6.871 -7.385 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.661 -7.583 -6.452 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.466 -6.777 -8.026 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.083 -5.901 -6.525 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.505 -6.941 -4.942 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.983 -5.239 -4.967 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.652 -5.665 -5.414 1.00 0.00 H new ATOM 1299 N GLN A 81 -4.526 -2.660 -9.585 1.00 0.00 N ATOM 1300 CA GLN A 81 -4.487 -1.336 -10.200 1.00 0.00 C ATOM 1301 C GLN A 81 -5.791 -0.583 -9.951 1.00 0.00 C ATOM 1302 O GLN A 81 -5.778 0.583 -9.557 1.00 0.00 O ATOM 1303 CB GLN A 81 -4.229 -1.456 -11.708 1.00 0.00 C ATOM 1304 CG GLN A 81 -4.213 -0.123 -12.443 1.00 0.00 C ATOM 1305 CD GLN A 81 -3.123 0.814 -11.951 1.00 0.00 C ATOM 1306 OE1 GLN A 81 -2.000 0.797 -12.452 1.00 0.00 O ATOM 1307 NE2 GLN A 81 -3.447 1.633 -10.965 1.00 0.00 N ATOM 0 H GLN A 81 -4.394 -3.431 -10.240 1.00 0.00 H new ATOM 0 HA GLN A 81 -3.672 -0.774 -9.744 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -3.273 -1.956 -11.864 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -4.997 -2.092 -12.148 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -4.075 -0.304 -13.509 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -5.182 0.362 -12.325 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -4.390 1.616 -10.577 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -2.754 2.282 -10.593 1.00 0.00 H new ATOM 1316 N GLN A 82 -6.904 -1.265 -10.182 1.00 0.00 N ATOM 1317 CA GLN A 82 -8.223 -0.719 -9.960 1.00 0.00 C ATOM 1318 C GLN A 82 -8.385 -0.238 -8.515 1.00 0.00 C ATOM 1319 O GLN A 82 -9.048 0.767 -8.249 1.00 0.00 O ATOM 1320 CB GLN A 82 -9.239 -1.812 -10.280 1.00 0.00 C ATOM 1321 CG GLN A 82 -10.581 -1.276 -10.697 1.00 0.00 C ATOM 1322 CD GLN A 82 -11.561 -2.375 -11.064 1.00 0.00 C ATOM 1323 OE1 GLN A 82 -12.288 -2.888 -10.215 1.00 0.00 O ATOM 1324 NE2 GLN A 82 -11.593 -2.747 -12.335 1.00 0.00 N ATOM 0 H GLN A 82 -6.910 -2.223 -10.533 1.00 0.00 H new ATOM 0 HA GLN A 82 -8.380 0.146 -10.604 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.844 -2.443 -11.077 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.366 -2.448 -9.404 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.998 -0.679 -9.886 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -10.453 -0.609 -11.550 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -10.976 -2.300 -13.013 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -12.235 -3.480 -12.636 1.00 0.00 H new ATOM 1333 N LEU A 83 -7.757 -0.955 -7.590 1.00 0.00 N ATOM 1334 CA LEU A 83 -7.818 -0.618 -6.175 1.00 0.00 C ATOM 1335 C LEU A 83 -7.048 0.672 -5.888 1.00 0.00 C ATOM 1336 O LEU A 83 -7.627 1.657 -5.434 1.00 0.00 O ATOM 1337 CB LEU A 83 -7.271 -1.790 -5.341 1.00 0.00 C ATOM 1338 CG LEU A 83 -7.186 -1.564 -3.825 1.00 0.00 C ATOM 1339 CD1 LEU A 83 -7.444 -2.866 -3.082 1.00 0.00 C ATOM 1340 CD2 LEU A 83 -5.815 -1.013 -3.441 1.00 0.00 C ATOM 0 H LEU A 83 -7.195 -1.780 -7.799 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.857 -0.445 -5.895 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.900 -2.662 -5.522 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -6.274 -2.034 -5.707 1.00 0.00 H new ATOM 0 HG LEU A 83 -7.948 -0.837 -3.545 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.381 -2.691 -2.008 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.438 -3.236 -3.331 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -6.698 -3.605 -3.374 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -5.774 -0.859 -2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.042 -1.723 -3.736 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -5.649 -0.063 -3.950 1.00 0.00 H new ATOM 1352 N VAL A 84 -5.748 0.666 -6.176 1.00 0.00 N ATOM 1353 CA VAL A 84 -4.891 1.809 -5.866 1.00 0.00 C ATOM 1354 C VAL A 84 -5.339 3.075 -6.589 1.00 0.00 C ATOM 1355 O VAL A 84 -5.338 4.159 -6.013 1.00 0.00 O ATOM 1356 CB VAL A 84 -3.408 1.538 -6.193 1.00 0.00 C ATOM 1357 CG1 VAL A 84 -2.735 0.787 -5.056 1.00 0.00 C ATOM 1358 CG2 VAL A 84 -3.260 0.761 -7.487 1.00 0.00 C ATOM 0 H VAL A 84 -5.266 -0.115 -6.622 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.988 1.962 -4.791 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.919 2.504 -6.317 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.690 0.606 -5.308 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.791 1.381 -4.144 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.241 -0.166 -4.900 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -2.203 0.587 -7.688 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.775 -0.196 -7.398 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.696 1.333 -8.306 1.00 0.00 H new ATOM 1368 N ALA A 85 -5.714 2.924 -7.849 1.00 0.00 N ATOM 1369 CA ALA A 85 -6.206 4.041 -8.653 1.00 0.00 C ATOM 1370 C ALA A 85 -7.365 4.767 -7.966 1.00 0.00 C ATOM 1371 O ALA A 85 -7.386 5.995 -7.903 1.00 0.00 O ATOM 1372 CB ALA A 85 -6.626 3.557 -10.034 1.00 0.00 C ATOM 0 H ALA A 85 -5.688 2.033 -8.344 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.389 4.754 -8.761 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.990 4.401 -10.620 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.770 3.107 -10.538 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -7.419 2.816 -9.934 1.00 0.00 H new ATOM 1378 N TYR A 86 -8.321 4.009 -7.443 1.00 0.00 N ATOM 1379 CA TYR A 86 -9.469 4.602 -6.764 1.00 0.00 C ATOM 1380 C TYR A 86 -9.057 5.194 -5.420 1.00 0.00 C ATOM 1381 O TYR A 86 -9.422 6.325 -5.088 1.00 0.00 O ATOM 1382 CB TYR A 86 -10.573 3.561 -6.561 1.00 0.00 C ATOM 1383 CG TYR A 86 -11.780 4.098 -5.818 1.00 0.00 C ATOM 1384 CD1 TYR A 86 -12.839 4.681 -6.502 1.00 0.00 C ATOM 1385 CD2 TYR A 86 -11.853 4.029 -4.431 1.00 0.00 C ATOM 1386 CE1 TYR A 86 -13.932 5.185 -5.825 1.00 0.00 C ATOM 1387 CE2 TYR A 86 -12.944 4.529 -3.750 1.00 0.00 C ATOM 1388 CZ TYR A 86 -13.979 5.104 -4.450 1.00 0.00 C ATOM 1389 OH TYR A 86 -15.058 5.618 -3.769 1.00 0.00 O ATOM 0 H TYR A 86 -8.326 2.990 -7.475 1.00 0.00 H new ATOM 0 HA TYR A 86 -9.854 5.404 -7.394 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -10.892 3.187 -7.534 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.165 2.713 -6.011 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -12.807 4.741 -7.580 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -11.043 3.577 -3.878 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -14.746 5.640 -6.370 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -12.985 4.469 -2.672 1.00 0.00 H new ATOM 0 HH TYR A 86 -14.793 5.832 -2.850 1.00 0.00 H new ATOM 1399 N TYR A 87 -8.280 4.429 -4.658 1.00 0.00 N ATOM 1400 CA TYR A 87 -7.847 4.845 -3.325 1.00 0.00 C ATOM 1401 C TYR A 87 -6.907 6.050 -3.399 1.00 0.00 C ATOM 1402 O TYR A 87 -6.596 6.672 -2.382 1.00 0.00 O ATOM 1403 CB TYR A 87 -7.149 3.689 -2.600 1.00 0.00 C ATOM 1404 CG TYR A 87 -8.068 2.595 -2.082 1.00 0.00 C ATOM 1405 CD1 TYR A 87 -9.193 2.182 -2.789 1.00 0.00 C ATOM 1406 CD2 TYR A 87 -7.792 1.966 -0.877 1.00 0.00 C ATOM 1407 CE1 TYR A 87 -10.009 1.174 -2.305 1.00 0.00 C ATOM 1408 CE2 TYR A 87 -8.599 0.958 -0.391 1.00 0.00 C ATOM 1409 CZ TYR A 87 -9.704 0.563 -1.106 1.00 0.00 C ATOM 1410 OH TYR A 87 -10.506 -0.445 -0.617 1.00 0.00 O ATOM 0 H TYR A 87 -7.935 3.512 -4.942 1.00 0.00 H new ATOM 0 HA TYR A 87 -8.736 5.134 -2.765 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -6.425 3.240 -3.280 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -6.587 4.096 -1.760 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -9.433 2.655 -3.730 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -6.927 2.272 -0.307 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -10.881 0.867 -2.864 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -8.363 0.481 0.549 1.00 0.00 H new ATOM 0 HH TYR A 87 -11.438 -0.142 -0.598 1.00 0.00 H new ATOM 1420 N SER A 88 -6.445 6.362 -4.603 1.00 0.00 N ATOM 1421 CA SER A 88 -5.600 7.522 -4.831 1.00 0.00 C ATOM 1422 C SER A 88 -6.420 8.807 -4.719 1.00 0.00 C ATOM 1423 O SER A 88 -5.900 9.866 -4.370 1.00 0.00 O ATOM 1424 CB SER A 88 -4.944 7.425 -6.215 1.00 0.00 C ATOM 1425 OG SER A 88 -4.034 8.488 -6.435 1.00 0.00 O ATOM 0 H SER A 88 -6.645 5.820 -5.443 1.00 0.00 H new ATOM 0 HA SER A 88 -4.819 7.545 -4.071 1.00 0.00 H new ATOM 0 HB2 SER A 88 -4.421 6.473 -6.305 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.715 7.439 -6.986 1.00 0.00 H new ATOM 0 HG SER A 88 -3.529 8.661 -5.613 1.00 0.00 H new ATOM 1431 N LYS A 89 -7.709 8.702 -5.007 1.00 0.00 N ATOM 1432 CA LYS A 89 -8.595 9.852 -4.963 1.00 0.00 C ATOM 1433 C LYS A 89 -9.466 9.799 -3.718 1.00 0.00 C ATOM 1434 O LYS A 89 -9.589 10.776 -2.981 1.00 0.00 O ATOM 1435 CB LYS A 89 -9.464 9.891 -6.221 1.00 0.00 C ATOM 1436 CG LYS A 89 -10.399 11.087 -6.285 1.00 0.00 C ATOM 1437 CD LYS A 89 -11.102 11.178 -7.629 1.00 0.00 C ATOM 1438 CE LYS A 89 -10.108 11.348 -8.767 1.00 0.00 C ATOM 1439 NZ LYS A 89 -9.306 12.590 -8.617 1.00 0.00 N ATOM 0 H LYS A 89 -8.164 7.829 -5.274 1.00 0.00 H new ATOM 0 HA LYS A 89 -7.993 10.760 -4.925 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -8.817 9.901 -7.098 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -10.055 8.977 -6.271 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -11.141 11.012 -5.490 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.833 12.002 -6.107 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -11.694 10.278 -7.793 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -11.796 12.019 -7.622 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -9.441 10.486 -8.799 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -10.643 11.373 -9.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -8.790 12.779 -9.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -9.939 13.389 -8.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.627 12.473 -7.838 1.00 0.00 H new ATOM 1453 N HIS A 90 -10.068 8.648 -3.487 1.00 0.00 N ATOM 1454 CA HIS A 90 -10.897 8.440 -2.322 1.00 0.00 C ATOM 1455 C HIS A 90 -10.234 7.416 -1.417 1.00 0.00 C ATOM 1456 O HIS A 90 -10.189 6.232 -1.742 1.00 0.00 O ATOM 1457 CB HIS A 90 -12.288 7.965 -2.751 1.00 0.00 C ATOM 1458 CG HIS A 90 -13.299 7.975 -1.652 1.00 0.00 C ATOM 1459 ND1 HIS A 90 -14.343 7.077 -1.569 1.00 0.00 N ATOM 1460 CD2 HIS A 90 -13.430 8.797 -0.590 1.00 0.00 C ATOM 1461 CE1 HIS A 90 -15.072 7.350 -0.502 1.00 0.00 C ATOM 1462 NE2 HIS A 90 -14.535 8.390 0.111 1.00 0.00 N ATOM 0 H HIS A 90 -9.995 7.836 -4.100 1.00 0.00 H new ATOM 0 HA HIS A 90 -11.010 9.376 -1.775 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -12.643 8.600 -3.563 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -12.209 6.953 -3.149 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -12.783 9.624 -0.339 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -15.955 6.815 -0.185 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -14.886 8.820 0.967 1.00 0.00 H new ATOM 1471 N ALA A 91 -9.712 7.882 -0.287 1.00 0.00 N ATOM 1472 CA ALA A 91 -9.013 7.013 0.650 1.00 0.00 C ATOM 1473 C ALA A 91 -9.953 5.949 1.192 1.00 0.00 C ATOM 1474 O ALA A 91 -9.558 4.801 1.392 1.00 0.00 O ATOM 1475 CB ALA A 91 -8.419 7.827 1.787 1.00 0.00 C ATOM 0 H ALA A 91 -9.761 8.859 0.002 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.200 6.517 0.120 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -7.900 7.162 2.478 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -7.714 8.554 1.384 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -9.216 8.349 2.316 1.00 0.00 H new ATOM 1481 N ASP A 92 -11.197 6.367 1.423 1.00 0.00 N ATOM 1482 CA ASP A 92 -12.291 5.481 1.830 1.00 0.00 C ATOM 1483 C ASP A 92 -12.075 4.923 3.239 1.00 0.00 C ATOM 1484 O ASP A 92 -12.822 5.258 4.161 1.00 0.00 O ATOM 1485 CB ASP A 92 -12.479 4.342 0.819 1.00 0.00 C ATOM 1486 CG ASP A 92 -13.867 3.735 0.898 1.00 0.00 C ATOM 1487 OD1 ASP A 92 -14.849 4.453 0.609 1.00 0.00 O ATOM 1488 OD2 ASP A 92 -13.989 2.549 1.256 1.00 0.00 O ATOM 0 H ASP A 92 -11.479 7.343 1.332 1.00 0.00 H new ATOM 0 HA ASP A 92 -13.202 6.079 1.849 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -12.305 4.719 -0.189 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -11.734 3.568 1.002 1.00 0.00 H new ATOM 1493 N GLY A 93 -11.058 4.085 3.403 1.00 0.00 N ATOM 1494 CA GLY A 93 -10.744 3.534 4.709 1.00 0.00 C ATOM 1495 C GLY A 93 -9.449 4.092 5.271 1.00 0.00 C ATOM 1496 O GLY A 93 -9.291 4.219 6.486 1.00 0.00 O ATOM 0 H GLY A 93 -10.442 3.776 2.651 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -11.560 3.750 5.398 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.668 2.449 4.635 1.00 0.00 H new ATOM 1500 N LEU A 94 -8.507 4.401 4.390 1.00 0.00 N ATOM 1501 CA LEU A 94 -7.241 4.994 4.788 1.00 0.00 C ATOM 1502 C LEU A 94 -7.436 6.425 5.279 1.00 0.00 C ATOM 1503 O LEU A 94 -8.409 7.091 4.925 1.00 0.00 O ATOM 1504 CB LEU A 94 -6.253 4.973 3.618 1.00 0.00 C ATOM 1505 CG LEU A 94 -5.904 3.579 3.092 1.00 0.00 C ATOM 1506 CD1 LEU A 94 -6.961 3.069 2.129 1.00 0.00 C ATOM 1507 CD2 LEU A 94 -4.532 3.581 2.435 1.00 0.00 C ATOM 0 H LEU A 94 -8.599 4.248 3.386 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.836 4.402 5.609 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.670 5.560 2.800 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -5.333 5.468 3.930 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.878 2.899 3.944 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.682 2.077 1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.923 3.015 2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.039 3.749 1.281 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.303 2.581 2.068 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -4.529 4.283 1.601 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.780 3.881 3.165 1.00 0.00 H new ATOM 1519 N CYS A 95 -6.503 6.881 6.106 1.00 0.00 N ATOM 1520 CA CYS A 95 -6.555 8.225 6.666 1.00 0.00 C ATOM 1521 C CYS A 95 -6.084 9.249 5.639 1.00 0.00 C ATOM 1522 O CYS A 95 -6.369 10.444 5.753 1.00 0.00 O ATOM 1523 CB CYS A 95 -5.674 8.306 7.914 1.00 0.00 C ATOM 1524 SG CYS A 95 -5.969 6.988 9.117 1.00 0.00 S ATOM 0 H CYS A 95 -5.695 6.334 6.405 1.00 0.00 H new ATOM 0 HA CYS A 95 -7.587 8.447 6.937 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -4.628 8.277 7.609 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -5.838 9.268 8.399 1.00 0.00 H new ATOM 0 HG CYS A 95 -5.334 7.257 10.219 1.00 0.00 H new ATOM 1530 N HIS A 96 -5.362 8.770 4.639 1.00 0.00 N ATOM 1531 CA HIS A 96 -4.825 9.624 3.596 1.00 0.00 C ATOM 1532 C HIS A 96 -4.900 8.893 2.260 1.00 0.00 C ATOM 1533 O HIS A 96 -4.581 7.706 2.179 1.00 0.00 O ATOM 1534 CB HIS A 96 -3.377 10.000 3.932 1.00 0.00 C ATOM 1535 CG HIS A 96 -2.794 11.058 3.044 1.00 0.00 C ATOM 1536 ND1 HIS A 96 -2.952 12.395 3.318 1.00 0.00 N ATOM 1537 CD2 HIS A 96 -2.058 10.923 1.918 1.00 0.00 C ATOM 1538 CE1 HIS A 96 -2.314 13.040 2.355 1.00 0.00 C ATOM 1539 NE2 HIS A 96 -1.756 12.187 1.486 1.00 0.00 N ATOM 0 H HIS A 96 -5.133 7.782 4.529 1.00 0.00 H new ATOM 0 HA HIS A 96 -5.410 10.541 3.527 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -3.333 10.344 4.965 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -2.757 9.106 3.868 1.00 0.00 H new ATOM 0 HD1 HIS A 96 -3.457 12.806 4.103 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -1.764 9.996 1.449 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -2.251 14.116 2.279 1.00 0.00 H new ATOM 1547 N ARG A 97 -5.350 9.590 1.222 1.00 0.00 N ATOM 1548 CA ARG A 97 -5.486 8.981 -0.097 1.00 0.00 C ATOM 1549 C ARG A 97 -4.127 8.793 -0.759 1.00 0.00 C ATOM 1550 O ARG A 97 -3.217 9.608 -0.585 1.00 0.00 O ATOM 1551 CB ARG A 97 -6.449 9.780 -0.999 1.00 0.00 C ATOM 1552 CG ARG A 97 -6.373 11.305 -0.890 1.00 0.00 C ATOM 1553 CD ARG A 97 -5.075 11.883 -1.435 1.00 0.00 C ATOM 1554 NE ARG A 97 -5.139 13.343 -1.534 1.00 0.00 N ATOM 1555 CZ ARG A 97 -4.084 14.156 -1.474 1.00 0.00 C ATOM 1556 NH1 ARG A 97 -2.866 13.663 -1.319 1.00 0.00 N ATOM 1557 NH2 ARG A 97 -4.248 15.468 -1.578 1.00 0.00 N ATOM 0 H ARG A 97 -5.625 10.571 1.267 1.00 0.00 H new ATOM 0 HA ARG A 97 -5.925 7.993 0.043 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -6.258 9.501 -2.035 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -7.469 9.471 -0.769 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -7.213 11.743 -1.429 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -6.480 11.593 0.156 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -4.247 11.597 -0.786 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -4.871 11.459 -2.418 1.00 0.00 H new ATOM 0 HE ARG A 97 -6.058 13.769 -1.658 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -2.730 12.655 -1.245 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -2.064 14.291 -1.274 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -5.183 15.857 -1.704 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -3.440 16.088 -1.532 1.00 0.00 H new ATOM 1571 N LEU A 98 -4.003 7.704 -1.508 1.00 0.00 N ATOM 1572 CA LEU A 98 -2.746 7.329 -2.147 1.00 0.00 C ATOM 1573 C LEU A 98 -2.244 8.453 -3.045 1.00 0.00 C ATOM 1574 O LEU A 98 -2.824 8.731 -4.091 1.00 0.00 O ATOM 1575 CB LEU A 98 -2.932 6.043 -2.955 1.00 0.00 C ATOM 1576 CG LEU A 98 -3.491 4.852 -2.173 1.00 0.00 C ATOM 1577 CD1 LEU A 98 -3.639 3.642 -3.080 1.00 0.00 C ATOM 1578 CD2 LEU A 98 -2.594 4.515 -0.995 1.00 0.00 C ATOM 0 H LEU A 98 -4.770 7.056 -1.690 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.000 7.153 -1.372 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.599 6.253 -3.791 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.969 5.758 -3.379 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.475 5.127 -1.792 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.038 2.805 -2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -4.321 3.880 -3.896 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.665 3.372 -3.488 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.009 3.666 -0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -1.598 4.262 -1.357 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.530 5.375 -0.328 1.00 0.00 H new ATOM 1590 N THR A 99 -1.168 9.095 -2.630 1.00 0.00 N ATOM 1591 CA THR A 99 -0.677 10.270 -3.323 1.00 0.00 C ATOM 1592 C THR A 99 0.471 9.921 -4.260 1.00 0.00 C ATOM 1593 O THR A 99 0.379 10.118 -5.471 1.00 0.00 O ATOM 1594 CB THR A 99 -0.216 11.332 -2.312 1.00 0.00 C ATOM 1595 OG1 THR A 99 -1.223 11.491 -1.303 1.00 0.00 O ATOM 1596 CG2 THR A 99 0.044 12.669 -2.996 1.00 0.00 C ATOM 0 H THR A 99 -0.617 8.822 -1.816 1.00 0.00 H new ATOM 0 HA THR A 99 -1.497 10.670 -3.919 1.00 0.00 H new ATOM 0 HB THR A 99 0.718 10.998 -1.859 1.00 0.00 H new ATOM 0 HG1 THR A 99 -0.814 11.842 -0.485 1.00 0.00 H new ATOM 0 HG21 THR A 99 0.369 13.400 -2.255 1.00 0.00 H new ATOM 0 HG22 THR A 99 0.822 12.547 -3.750 1.00 0.00 H new ATOM 0 HG23 THR A 99 -0.872 13.018 -3.473 1.00 0.00 H new ATOM 1604 N ASN A 100 1.542 9.387 -3.696 1.00 0.00 N ATOM 1605 CA ASN A 100 2.735 9.077 -4.461 1.00 0.00 C ATOM 1606 C ASN A 100 3.237 7.694 -4.090 1.00 0.00 C ATOM 1607 O ASN A 100 3.085 7.255 -2.954 1.00 0.00 O ATOM 1608 CB ASN A 100 3.819 10.128 -4.192 1.00 0.00 C ATOM 1609 CG ASN A 100 4.321 10.098 -2.761 1.00 0.00 C ATOM 1610 OD1 ASN A 100 3.733 10.713 -1.870 1.00 0.00 O ATOM 1611 ND2 ASN A 100 5.424 9.398 -2.534 1.00 0.00 N ATOM 0 H ASN A 100 1.608 9.159 -2.704 1.00 0.00 H new ATOM 0 HA ASN A 100 2.493 9.091 -5.524 1.00 0.00 H new ATOM 0 HB2 ASN A 100 4.656 9.962 -4.870 1.00 0.00 H new ATOM 0 HB3 ASN A 100 3.422 11.119 -4.413 1.00 0.00 H new ATOM 0 HD21 ASN A 100 5.816 9.355 -1.593 1.00 0.00 H new ATOM 0 HD22 ASN A 100 5.880 8.903 -3.300 1.00 0.00 H new ATOM 1618 N VAL A 101 3.819 6.999 -5.045 1.00 0.00 N ATOM 1619 CA VAL A 101 4.289 5.651 -4.802 1.00 0.00 C ATOM 1620 C VAL A 101 5.718 5.689 -4.276 1.00 0.00 C ATOM 1621 O VAL A 101 6.493 6.579 -4.638 1.00 0.00 O ATOM 1622 CB VAL A 101 4.228 4.787 -6.077 1.00 0.00 C ATOM 1623 CG1 VAL A 101 4.163 3.318 -5.704 1.00 0.00 C ATOM 1624 CG2 VAL A 101 3.042 5.175 -6.947 1.00 0.00 C ATOM 0 H VAL A 101 3.977 7.343 -5.992 1.00 0.00 H new ATOM 0 HA VAL A 101 3.632 5.199 -4.059 1.00 0.00 H new ATOM 0 HB VAL A 101 5.134 4.964 -6.657 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.120 2.714 -6.610 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.050 3.049 -5.130 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.272 3.134 -5.103 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.025 4.549 -7.839 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.118 5.034 -6.387 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.132 6.221 -7.240 1.00 0.00 H new ATOM 1634 N CYS A 102 6.041 4.739 -3.405 1.00 0.00 N ATOM 1635 CA CYS A 102 7.355 4.660 -2.778 1.00 0.00 C ATOM 1636 C CYS A 102 8.465 4.612 -3.822 1.00 0.00 C ATOM 1637 O CYS A 102 8.483 3.732 -4.678 1.00 0.00 O ATOM 1638 CB CYS A 102 7.432 3.424 -1.880 1.00 0.00 C ATOM 1639 SG CYS A 102 9.011 3.229 -1.018 1.00 0.00 S ATOM 0 H CYS A 102 5.399 4.002 -3.114 1.00 0.00 H new ATOM 0 HA CYS A 102 7.495 5.557 -2.175 1.00 0.00 H new ATOM 0 HB2 CYS A 102 6.632 3.475 -1.142 1.00 0.00 H new ATOM 0 HB3 CYS A 102 7.250 2.537 -2.486 1.00 0.00 H new ATOM 0 HG CYS A 102 8.975 2.157 -0.283 1.00 0.00 H new ATOM 1645 N PRO A 103 9.398 5.570 -3.770 1.00 0.00 N ATOM 1646 CA PRO A 103 10.534 5.600 -4.681 1.00 0.00 C ATOM 1647 C PRO A 103 11.619 4.603 -4.279 1.00 0.00 C ATOM 1648 O PRO A 103 11.951 4.470 -3.101 1.00 0.00 O ATOM 1649 CB PRO A 103 11.043 7.035 -4.557 1.00 0.00 C ATOM 1650 CG PRO A 103 10.663 7.462 -3.178 1.00 0.00 C ATOM 1651 CD PRO A 103 9.408 6.704 -2.825 1.00 0.00 C ATOM 0 HA PRO A 103 10.258 5.321 -5.698 1.00 0.00 H new ATOM 0 HB2 PRO A 103 12.122 7.085 -4.702 1.00 0.00 H new ATOM 0 HB3 PRO A 103 10.590 7.681 -5.309 1.00 0.00 H new ATOM 0 HG2 PRO A 103 11.462 7.241 -2.470 1.00 0.00 H new ATOM 0 HG3 PRO A 103 10.490 8.538 -3.139 1.00 0.00 H new ATOM 0 HD2 PRO A 103 9.426 6.361 -1.790 1.00 0.00 H new ATOM 0 HD3 PRO A 103 8.520 7.326 -2.939 1.00 0.00 H new ATOM 1659 N THR A 104 12.149 3.892 -5.259 1.00 0.00 N ATOM 1660 CA THR A 104 13.247 2.972 -5.022 1.00 0.00 C ATOM 1661 C THR A 104 14.513 3.515 -5.670 1.00 0.00 C ATOM 1662 O THR A 104 14.466 4.496 -6.412 1.00 0.00 O ATOM 1663 CB THR A 104 12.942 1.555 -5.567 1.00 0.00 C ATOM 1664 OG1 THR A 104 14.027 0.658 -5.282 1.00 0.00 O ATOM 1665 CG2 THR A 104 12.691 1.587 -7.069 1.00 0.00 C ATOM 0 H THR A 104 11.836 3.935 -6.229 1.00 0.00 H new ATOM 0 HA THR A 104 13.386 2.886 -3.944 1.00 0.00 H new ATOM 0 HB THR A 104 12.041 1.198 -5.068 1.00 0.00 H new ATOM 0 HG1 THR A 104 13.816 -0.233 -5.632 1.00 0.00 H new ATOM 0 HG21 THR A 104 12.480 0.578 -7.424 1.00 0.00 H new ATOM 0 HG22 THR A 104 11.839 2.233 -7.282 1.00 0.00 H new ATOM 0 HG23 THR A 104 13.575 1.973 -7.577 1.00 0.00 H new ATOM 1673 N SER A 105 15.636 2.880 -5.391 1.00 0.00 N ATOM 1674 CA SER A 105 16.910 3.316 -5.930 1.00 0.00 C ATOM 1675 C SER A 105 17.745 2.102 -6.322 1.00 0.00 C ATOM 1676 O SER A 105 18.974 2.109 -6.215 1.00 0.00 O ATOM 1677 CB SER A 105 17.654 4.183 -4.906 1.00 0.00 C ATOM 1678 OG SER A 105 18.766 4.838 -5.497 1.00 0.00 O ATOM 0 H SER A 105 15.691 2.057 -4.791 1.00 0.00 H new ATOM 0 HA SER A 105 16.735 3.921 -6.820 1.00 0.00 H new ATOM 0 HB2 SER A 105 16.972 4.924 -4.489 1.00 0.00 H new ATOM 0 HB3 SER A 105 17.993 3.561 -4.078 1.00 0.00 H new ATOM 0 HG SER A 105 19.324 4.180 -5.962 1.00 0.00 H new ATOM 1684 N LYS A 106 17.062 1.056 -6.765 1.00 0.00 N ATOM 1685 CA LYS A 106 17.722 -0.153 -7.229 1.00 0.00 C ATOM 1686 C LYS A 106 16.722 -1.020 -7.985 1.00 0.00 C ATOM 1687 O LYS A 106 16.684 -0.934 -9.227 1.00 0.00 O ATOM 1688 CB LYS A 106 18.319 -0.931 -6.051 1.00 0.00 C ATOM 1689 CG LYS A 106 19.457 -1.872 -6.435 1.00 0.00 C ATOM 1690 CD LYS A 106 20.809 -1.160 -6.455 1.00 0.00 C ATOM 1691 CE LYS A 106 20.896 -0.092 -7.536 1.00 0.00 C ATOM 1692 NZ LYS A 106 22.177 0.662 -7.476 1.00 0.00 N ATOM 1693 OXT LYS A 106 15.951 -1.750 -7.331 1.00 0.00 O ATOM 0 H LYS A 106 16.044 1.022 -6.812 1.00 0.00 H new ATOM 0 HA LYS A 106 18.537 0.124 -7.898 1.00 0.00 H new ATOM 0 HB2 LYS A 106 18.684 -0.221 -5.309 1.00 0.00 H new ATOM 0 HB3 LYS A 106 17.528 -1.511 -5.575 1.00 0.00 H new ATOM 0 HG2 LYS A 106 19.495 -2.702 -5.729 1.00 0.00 H new ATOM 0 HG3 LYS A 106 19.258 -2.299 -7.418 1.00 0.00 H new ATOM 0 HD2 LYS A 106 20.988 -0.702 -5.482 1.00 0.00 H new ATOM 0 HD3 LYS A 106 21.599 -1.894 -6.611 1.00 0.00 H new ATOM 0 HE2 LYS A 106 20.797 -0.559 -8.516 1.00 0.00 H new ATOM 0 HE3 LYS A 106 20.062 0.602 -7.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 22.194 1.379 -8.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 22.261 1.130 -6.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 22.973 0.005 -7.605 1.00 0.00 H new TER 1707 LYS A 106