USER MOD reduce.3.24.130724 H: found=0, std=0, add=988, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 986 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 33 GLN : amide:sc= -0.3 K(o=-3,f=-5!) USER MOD Set 1.2: A 34 HIS : no HE2:sc= -2.13 X(o=-3,f=-2.6) USER MOD Set 1.3: A 115 HIS : no HD1:sc= -0.585 X(o=-3,f=-2.6) USER MOD Set 2.1: A 3 TYR OH : rot 180:sc= -5.06! USER MOD Set 2.2: A 11 THR OG1 : rot -163:sc= 0.0086 USER MOD Set 3.1: A 1 LYS N :NH3+ 175:sc= 1.26 (180deg=0) USER MOD Set 3.2: A 40 THR OG1 : rot 73:sc= 1.58 USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.111 X(o=-0.11,f=-0.11) USER MOD Single : A 17 MET CE :methyl -143:sc= -0.594 (180deg=-3.14!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 130:sc= -0.0765 USER MOD Single : A 37 ASN : amide:sc= -2.35 K(o=-2.3,f=-4.4!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -1.64 K(o=-1.6,f=-5.4!) USER MOD Single : A 43 THR OG1 : rot -81:sc= 0.697 USER MOD Single : A 44 ASN : amide:sc= -0.294 K(o=-0.29,f=-2.2!) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -1.88 X(o=-1.9,f=-2.3) USER MOD Single : A 50 GLN : amide:sc= -0.0741 K(o=-0.074,f=-1.4!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= -1.47! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc=-0.00218 X(o=-0.0022,f=0) USER MOD Single : A 60 ASN : amide:sc= -1.53 K(o=-1.5,f=-0.58) USER MOD Single : A 61 SER OG : rot 63:sc= 0.765 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -7.84! C(o=-7.8!,f=-9.4!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.132 USER MOD Single : A 75 ASN : amide:sc= -2.14 K(o=-2.1,f=-3.9!) USER MOD Single : A 80 ASN : amide:sc= -0.632 K(o=-0.63,f=-2.6!) USER MOD Single : A 82 SER OG : rot 180:sc= -0.038 USER MOD Single : A 86 GLN : amide:sc= -0.0305 X(o=-0.03,f=0.18) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -2.66! C(o=-2.7!,f=-9.6!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 GLN : amide:sc= -0.0631 K(o=-0.063,f=-0.79) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 118 ASN : amide:sc= -0.215 K(o=-0.22,f=-1.9!) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 ASN : amide:sc= -0.115 X(o=-0.12,f=-0.3) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -4.908 9.536 10.410 1.00 0.00 N ATOM 2 CA LYS A 1 -5.258 8.337 11.150 1.00 0.00 C ATOM 3 C LYS A 1 -4.001 7.493 11.371 1.00 0.00 C ATOM 4 O LYS A 1 -2.936 7.810 10.843 1.00 0.00 O ATOM 5 CB LYS A 1 -6.388 7.582 10.444 1.00 0.00 C ATOM 6 CG LYS A 1 -7.530 7.273 11.414 1.00 0.00 C ATOM 7 CD LYS A 1 -7.945 5.804 11.324 1.00 0.00 C ATOM 8 CE LYS A 1 -7.516 5.035 12.576 1.00 0.00 C ATOM 9 NZ LYS A 1 -8.627 4.189 13.070 1.00 0.00 N ATOM 0 H1 LYS A 1 -5.772 10.070 10.185 1.00 0.00 H new ATOM 0 H2 LYS A 1 -4.276 10.128 10.986 1.00 0.00 H new ATOM 0 H3 LYS A 1 -4.425 9.271 9.528 1.00 0.00 H new ATOM 0 HA LYS A 1 -5.645 8.598 12.135 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -6.764 8.177 9.612 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.002 6.654 10.023 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -7.219 7.505 12.433 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -8.385 7.910 11.189 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -9.026 5.735 11.203 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -7.495 5.349 10.441 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -6.650 4.413 12.349 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -7.211 5.735 13.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -8.320 3.674 13.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -9.443 4.790 13.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -8.900 3.508 12.332 1.00 0.00 H new ATOM 23 N VAL A 2 -4.164 6.437 12.155 1.00 0.00 N ATOM 24 CA VAL A 2 -3.056 5.546 12.452 1.00 0.00 C ATOM 25 C VAL A 2 -3.449 4.113 12.093 1.00 0.00 C ATOM 26 O VAL A 2 -4.511 3.637 12.494 1.00 0.00 O ATOM 27 CB VAL A 2 -2.637 5.704 13.916 1.00 0.00 C ATOM 28 CG1 VAL A 2 -1.947 4.438 14.428 1.00 0.00 C ATOM 29 CG2 VAL A 2 -1.742 6.931 14.102 1.00 0.00 C ATOM 0 H VAL A 2 -5.048 6.179 12.594 1.00 0.00 H new ATOM 0 HA VAL A 2 -2.185 5.804 11.849 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.539 5.856 14.508 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.659 4.577 15.470 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -2.632 3.593 14.350 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -1.058 4.241 13.829 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -1.459 7.019 15.151 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.845 6.823 13.492 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -2.283 7.826 13.796 1.00 0.00 H new ATOM 39 N TYR A 3 -2.572 3.463 11.342 1.00 0.00 N ATOM 40 CA TYR A 3 -2.814 2.092 10.925 1.00 0.00 C ATOM 41 C TYR A 3 -1.625 1.195 11.276 1.00 0.00 C ATOM 42 O TYR A 3 -0.580 1.262 10.632 1.00 0.00 O ATOM 43 CB TYR A 3 -2.972 2.137 9.404 1.00 0.00 C ATOM 44 CG TYR A 3 -4.396 1.861 8.918 1.00 0.00 C ATOM 45 CD1 TYR A 3 -4.997 0.650 9.194 1.00 0.00 C ATOM 46 CD2 TYR A 3 -5.079 2.824 8.203 1.00 0.00 C ATOM 47 CE1 TYR A 3 -6.338 0.391 8.737 1.00 0.00 C ATOM 48 CE2 TYR A 3 -6.420 2.565 7.745 1.00 0.00 C ATOM 49 CZ TYR A 3 -6.983 1.362 8.035 1.00 0.00 C ATOM 50 OH TYR A 3 -8.249 1.117 7.603 1.00 0.00 O ATOM 0 H TYR A 3 -1.693 3.860 11.011 1.00 0.00 H new ATOM 0 HA TYR A 3 -3.694 1.687 11.425 1.00 0.00 H new ATOM 0 HB2 TYR A 3 -2.660 3.118 9.046 1.00 0.00 H new ATOM 0 HB3 TYR A 3 -2.298 1.406 8.957 1.00 0.00 H new ATOM 0 HD1 TYR A 3 -4.462 -0.104 9.753 1.00 0.00 H new ATOM 0 HD2 TYR A 3 -4.608 3.772 7.987 1.00 0.00 H new ATOM 0 HE1 TYR A 3 -6.821 -0.552 8.947 1.00 0.00 H new ATOM 0 HE2 TYR A 3 -6.966 3.309 7.184 1.00 0.00 H new ATOM 0 HH TYR A 3 -8.586 1.898 7.117 1.00 0.00 H new ATOM 60 N GLU A 4 -1.827 0.374 12.298 1.00 0.00 N ATOM 61 CA GLU A 4 -0.785 -0.536 12.743 1.00 0.00 C ATOM 62 C GLU A 4 -1.052 -1.946 12.213 1.00 0.00 C ATOM 63 O GLU A 4 -2.151 -2.241 11.748 1.00 0.00 O ATOM 64 CB GLU A 4 -0.672 -0.535 14.268 1.00 0.00 C ATOM 65 CG GLU A 4 -1.940 -1.099 14.913 1.00 0.00 C ATOM 66 CD GLU A 4 -1.705 -1.426 16.389 1.00 0.00 C ATOM 67 OE1 GLU A 4 -0.727 -2.155 16.660 1.00 0.00 O ATOM 68 OE2 GLU A 4 -2.509 -0.939 17.213 1.00 0.00 O ATOM 0 H GLU A 4 -2.696 0.321 12.829 1.00 0.00 H new ATOM 0 HA GLU A 4 0.168 -0.192 12.341 1.00 0.00 H new ATOM 0 HB2 GLU A 4 0.190 -1.129 14.573 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.501 0.481 14.623 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.751 -0.377 14.821 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -2.253 -1.998 14.383 1.00 0.00 H new ATOM 75 N ARG A 5 -0.026 -2.780 12.303 1.00 0.00 N ATOM 76 CA ARG A 5 -0.136 -4.153 11.839 1.00 0.00 C ATOM 77 C ARG A 5 -1.525 -4.711 12.155 1.00 0.00 C ATOM 78 O ARG A 5 -2.242 -5.146 11.256 1.00 0.00 O ATOM 79 CB ARG A 5 0.925 -5.042 12.492 1.00 0.00 C ATOM 80 CG ARG A 5 1.019 -4.768 13.995 1.00 0.00 C ATOM 81 CD ARG A 5 2.472 -4.827 14.472 1.00 0.00 C ATOM 82 NE ARG A 5 2.541 -5.474 15.801 1.00 0.00 N ATOM 83 CZ ARG A 5 3.672 -5.626 16.505 1.00 0.00 C ATOM 84 NH1 ARG A 5 4.834 -5.178 16.011 1.00 0.00 N ATOM 85 NH2 ARG A 5 3.640 -6.225 17.703 1.00 0.00 N ATOM 0 H ARG A 5 0.885 -2.532 12.690 1.00 0.00 H new ATOM 0 HA ARG A 5 0.021 -4.152 10.760 1.00 0.00 H new ATOM 0 HB2 ARG A 5 0.680 -6.091 12.324 1.00 0.00 H new ATOM 0 HB3 ARG A 5 1.893 -4.863 12.025 1.00 0.00 H new ATOM 0 HG2 ARG A 5 0.599 -3.787 14.217 1.00 0.00 H new ATOM 0 HG3 ARG A 5 0.423 -5.500 14.540 1.00 0.00 H new ATOM 0 HD2 ARG A 5 3.077 -5.383 13.756 1.00 0.00 H new ATOM 0 HD3 ARG A 5 2.887 -3.821 14.526 1.00 0.00 H new ATOM 0 HE ARG A 5 1.674 -5.826 16.207 1.00 0.00 H new ATOM 0 HH11 ARG A 5 4.858 -4.721 15.099 1.00 0.00 H new ATOM 0 HH12 ARG A 5 5.694 -5.294 16.547 1.00 0.00 H new ATOM 0 HH21 ARG A 5 2.755 -6.565 18.080 1.00 0.00 H new ATOM 0 HH22 ARG A 5 4.500 -6.341 18.239 1.00 0.00 H new ATOM 99 N CYS A 6 -1.861 -4.682 13.436 1.00 0.00 N ATOM 100 CA CYS A 6 -3.151 -5.180 13.883 1.00 0.00 C ATOM 101 C CYS A 6 -4.244 -4.452 13.098 1.00 0.00 C ATOM 102 O CYS A 6 -4.781 -4.988 12.129 1.00 0.00 O ATOM 103 CB CYS A 6 -3.328 -5.016 15.394 1.00 0.00 C ATOM 104 SG CYS A 6 -2.120 -5.939 16.412 1.00 0.00 S ATOM 0 H CYS A 6 -1.262 -4.321 14.179 1.00 0.00 H new ATOM 0 HA CYS A 6 -3.218 -6.251 13.690 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -3.256 -3.957 15.641 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -4.333 -5.339 15.665 1.00 0.00 H new ATOM 109 N GLU A 7 -4.543 -3.240 13.544 1.00 0.00 N ATOM 110 CA GLU A 7 -5.563 -2.434 12.897 1.00 0.00 C ATOM 111 C GLU A 7 -5.577 -2.705 11.391 1.00 0.00 C ATOM 112 O GLU A 7 -6.557 -3.225 10.860 1.00 0.00 O ATOM 113 CB GLU A 7 -5.349 -0.946 13.183 1.00 0.00 C ATOM 114 CG GLU A 7 -6.315 -0.451 14.261 1.00 0.00 C ATOM 115 CD GLU A 7 -5.676 -0.534 15.649 1.00 0.00 C ATOM 116 OE1 GLU A 7 -4.911 0.397 15.978 1.00 0.00 O ATOM 117 OE2 GLU A 7 -5.971 -1.526 16.350 1.00 0.00 O ATOM 0 H GLU A 7 -4.096 -2.797 14.347 1.00 0.00 H new ATOM 0 HA GLU A 7 -6.534 -2.714 13.307 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.321 -0.778 13.505 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -5.494 -0.372 12.268 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.604 0.579 14.051 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -7.226 -1.048 14.240 1.00 0.00 H new ATOM 124 N PHE A 8 -4.478 -2.343 10.746 1.00 0.00 N ATOM 125 CA PHE A 8 -4.352 -2.541 9.312 1.00 0.00 C ATOM 126 C PHE A 8 -4.833 -3.936 8.907 1.00 0.00 C ATOM 127 O PHE A 8 -5.639 -4.076 7.989 1.00 0.00 O ATOM 128 CB PHE A 8 -2.866 -2.408 8.971 1.00 0.00 C ATOM 129 CG PHE A 8 -2.594 -2.011 7.520 1.00 0.00 C ATOM 130 CD1 PHE A 8 -2.833 -0.737 7.107 1.00 0.00 C ATOM 131 CD2 PHE A 8 -2.114 -2.931 6.641 1.00 0.00 C ATOM 132 CE1 PHE A 8 -2.580 -0.367 5.759 1.00 0.00 C ATOM 133 CE2 PHE A 8 -1.861 -2.561 5.293 1.00 0.00 C ATOM 134 CZ PHE A 8 -2.100 -1.287 4.880 1.00 0.00 C ATOM 0 H PHE A 8 -3.666 -1.914 11.190 1.00 0.00 H new ATOM 0 HA PHE A 8 -4.959 -1.808 8.780 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -2.418 -1.665 9.630 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -2.370 -3.357 9.176 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -3.215 -0.006 7.804 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -1.925 -3.943 6.968 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -2.769 0.645 5.432 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -1.479 -3.292 4.596 1.00 0.00 H new ATOM 0 HZ PHE A 8 -1.909 -1.006 3.855 1.00 0.00 H new ATOM 144 N ALA A 9 -4.319 -4.932 9.612 1.00 0.00 N ATOM 145 CA ALA A 9 -4.686 -6.311 9.338 1.00 0.00 C ATOM 146 C ALA A 9 -6.205 -6.460 9.441 1.00 0.00 C ATOM 147 O ALA A 9 -6.845 -6.978 8.528 1.00 0.00 O ATOM 148 CB ALA A 9 -3.943 -7.240 10.300 1.00 0.00 C ATOM 0 H ALA A 9 -3.651 -4.812 10.373 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.394 -6.591 8.326 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -4.219 -8.274 10.093 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.868 -7.118 10.166 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -4.212 -6.991 11.327 1.00 0.00 H new ATOM 154 N ARG A 10 -6.738 -5.997 10.562 1.00 0.00 N ATOM 155 CA ARG A 10 -8.170 -6.072 10.798 1.00 0.00 C ATOM 156 C ARG A 10 -8.935 -5.484 9.609 1.00 0.00 C ATOM 157 O ARG A 10 -9.791 -6.148 9.028 1.00 0.00 O ATOM 158 CB ARG A 10 -8.560 -5.317 12.069 1.00 0.00 C ATOM 159 CG ARG A 10 -10.076 -5.334 12.274 1.00 0.00 C ATOM 160 CD ARG A 10 -10.431 -5.180 13.754 1.00 0.00 C ATOM 161 NE ARG A 10 -10.239 -3.775 14.177 1.00 0.00 N ATOM 162 CZ ARG A 10 -10.528 -3.313 15.402 1.00 0.00 C ATOM 163 NH1 ARG A 10 -11.023 -4.142 16.332 1.00 0.00 N ATOM 164 NH2 ARG A 10 -10.322 -2.022 15.697 1.00 0.00 N ATOM 0 H ARG A 10 -6.204 -5.568 11.318 1.00 0.00 H new ATOM 0 HA ARG A 10 -8.431 -7.123 10.920 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -8.068 -5.769 12.930 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -8.210 -4.287 12.006 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -10.533 -4.527 11.701 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -10.488 -6.269 11.893 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -11.465 -5.481 13.922 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -9.806 -5.839 14.357 1.00 0.00 H new ATOM 0 HE ARG A 10 -9.863 -3.117 13.494 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -11.180 -5.125 16.108 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -11.243 -3.790 17.264 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.945 -1.391 14.990 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.542 -1.670 16.629 1.00 0.00 H new ATOM 178 N THR A 11 -8.596 -4.245 9.283 1.00 0.00 N ATOM 179 CA THR A 11 -9.240 -3.561 8.175 1.00 0.00 C ATOM 180 C THR A 11 -9.104 -4.380 6.890 1.00 0.00 C ATOM 181 O THR A 11 -10.102 -4.718 6.256 1.00 0.00 O ATOM 182 CB THR A 11 -8.635 -2.160 8.069 1.00 0.00 C ATOM 183 OG1 THR A 11 -9.129 -1.479 9.220 1.00 0.00 O ATOM 184 CG2 THR A 11 -9.203 -1.363 6.892 1.00 0.00 C ATOM 0 H THR A 11 -7.884 -3.698 9.767 1.00 0.00 H new ATOM 0 HA THR A 11 -10.312 -3.457 8.344 1.00 0.00 H new ATOM 0 HB THR A 11 -7.553 -2.240 7.964 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.021 -0.512 9.100 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.740 -0.377 6.863 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.993 -1.890 5.961 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.281 -1.254 7.013 1.00 0.00 H new ATOM 192 N LEU A 12 -7.860 -4.676 6.545 1.00 0.00 N ATOM 193 CA LEU A 12 -7.580 -5.451 5.347 1.00 0.00 C ATOM 194 C LEU A 12 -8.529 -6.649 5.286 1.00 0.00 C ATOM 195 O LEU A 12 -9.190 -6.871 4.273 1.00 0.00 O ATOM 196 CB LEU A 12 -6.101 -5.835 5.291 1.00 0.00 C ATOM 197 CG LEU A 12 -5.359 -5.464 4.004 1.00 0.00 C ATOM 198 CD1 LEU A 12 -4.518 -4.201 4.201 1.00 0.00 C ATOM 199 CD2 LEU A 12 -4.520 -6.639 3.497 1.00 0.00 C ATOM 0 H LEU A 12 -7.034 -4.394 7.073 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.764 -4.853 4.455 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -5.591 -5.361 6.130 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -6.020 -6.912 5.436 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.098 -5.241 3.235 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.001 -3.959 3.272 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.167 -3.372 4.481 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.785 -4.371 4.990 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.003 -6.349 2.582 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.788 -6.917 4.255 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.171 -7.489 3.292 1.00 0.00 H new ATOM 211 N LYS A 13 -8.566 -7.390 6.384 1.00 0.00 N ATOM 212 CA LYS A 13 -9.423 -8.561 6.469 1.00 0.00 C ATOM 213 C LYS A 13 -10.886 -8.114 6.508 1.00 0.00 C ATOM 214 O LYS A 13 -11.777 -8.861 6.105 1.00 0.00 O ATOM 215 CB LYS A 13 -9.016 -9.440 7.653 1.00 0.00 C ATOM 216 CG LYS A 13 -9.424 -10.896 7.422 1.00 0.00 C ATOM 217 CD LYS A 13 -9.030 -11.771 8.614 1.00 0.00 C ATOM 218 CE LYS A 13 -9.517 -13.208 8.422 1.00 0.00 C ATOM 219 NZ LYS A 13 -9.955 -13.784 9.712 1.00 0.00 N ATOM 0 H LYS A 13 -8.016 -7.202 7.222 1.00 0.00 H new ATOM 0 HA LYS A 13 -9.303 -9.186 5.584 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.938 -9.380 7.801 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.484 -9.068 8.564 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.501 -10.955 7.263 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.947 -11.272 6.517 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.947 -11.763 8.733 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -9.455 -11.358 9.529 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -10.342 -13.226 7.710 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.717 -13.816 7.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -10.282 -14.760 9.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -9.158 -13.784 10.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -10.733 -13.213 10.101 1.00 0.00 H new ATOM 233 N ARG A 14 -11.087 -6.900 6.996 1.00 0.00 N ATOM 234 CA ARG A 14 -12.427 -6.344 7.094 1.00 0.00 C ATOM 235 C ARG A 14 -12.934 -5.937 5.709 1.00 0.00 C ATOM 236 O ARG A 14 -14.141 -5.897 5.473 1.00 0.00 O ATOM 237 CB ARG A 14 -12.453 -5.126 8.018 1.00 0.00 C ATOM 238 CG ARG A 14 -13.890 -4.695 8.318 1.00 0.00 C ATOM 239 CD ARG A 14 -14.236 -4.928 9.790 1.00 0.00 C ATOM 240 NE ARG A 14 -15.550 -4.322 10.103 1.00 0.00 N ATOM 241 CZ ARG A 14 -16.727 -4.868 9.768 1.00 0.00 C ATOM 242 NH1 ARG A 14 -16.762 -6.035 9.110 1.00 0.00 N ATOM 243 NH2 ARG A 14 -17.870 -4.248 10.093 1.00 0.00 N ATOM 0 H ARG A 14 -10.345 -6.284 7.328 1.00 0.00 H new ATOM 0 HA ARG A 14 -13.076 -7.114 7.511 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -11.938 -5.361 8.950 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -11.912 -4.302 7.554 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -14.016 -3.640 8.074 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -14.580 -5.253 7.686 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -14.259 -5.997 10.002 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -13.465 -4.494 10.427 1.00 0.00 H new ATOM 0 HE ARG A 14 -15.560 -3.434 10.605 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -15.892 -6.508 8.864 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -17.658 -6.450 8.855 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -17.844 -3.361 10.595 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -18.766 -4.664 9.838 1.00 0.00 H new ATOM 257 N ASN A 15 -11.987 -5.645 4.830 1.00 0.00 N ATOM 258 CA ASN A 15 -12.324 -5.242 3.475 1.00 0.00 C ATOM 259 C ASN A 15 -12.414 -6.484 2.585 1.00 0.00 C ATOM 260 O ASN A 15 -13.295 -6.577 1.731 1.00 0.00 O ATOM 261 CB ASN A 15 -11.251 -4.320 2.893 1.00 0.00 C ATOM 262 CG ASN A 15 -11.882 -3.181 2.090 1.00 0.00 C ATOM 263 OD1 ASN A 15 -12.318 -2.176 2.627 1.00 0.00 O ATOM 264 ND2 ASN A 15 -11.910 -3.394 0.777 1.00 0.00 N ATOM 0 H ASN A 15 -10.987 -5.679 5.029 1.00 0.00 H new ATOM 0 HA ASN A 15 -13.276 -4.713 3.507 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -10.644 -3.908 3.699 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -10.582 -4.894 2.252 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -12.314 -2.694 0.155 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -11.528 -4.258 0.392 1.00 0.00 H new ATOM 271 N GLY A 16 -11.490 -7.405 2.815 1.00 0.00 N ATOM 272 CA GLY A 16 -11.454 -8.637 2.045 1.00 0.00 C ATOM 273 C GLY A 16 -10.173 -8.726 1.214 1.00 0.00 C ATOM 274 O GLY A 16 -10.213 -9.102 0.043 1.00 0.00 O ATOM 0 H GLY A 16 -10.761 -7.323 3.523 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -11.516 -9.492 2.718 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -12.322 -8.685 1.388 1.00 0.00 H new ATOM 278 N MET A 17 -9.066 -8.377 1.852 1.00 0.00 N ATOM 279 CA MET A 17 -7.775 -8.414 1.186 1.00 0.00 C ATOM 280 C MET A 17 -6.789 -9.298 1.951 1.00 0.00 C ATOM 281 O MET A 17 -5.992 -10.013 1.345 1.00 0.00 O ATOM 282 CB MET A 17 -7.214 -6.994 1.083 1.00 0.00 C ATOM 283 CG MET A 17 -6.098 -6.919 0.037 1.00 0.00 C ATOM 284 SD MET A 17 -6.707 -6.145 -1.451 1.00 0.00 S ATOM 285 CE MET A 17 -5.248 -5.248 -1.952 1.00 0.00 C ATOM 0 H MET A 17 -9.036 -8.067 2.823 1.00 0.00 H new ATOM 0 HA MET A 17 -7.912 -8.834 0.189 1.00 0.00 H new ATOM 0 HB2 MET A 17 -8.013 -6.302 0.818 1.00 0.00 H new ATOM 0 HB3 MET A 17 -6.829 -6.680 2.053 1.00 0.00 H new ATOM 0 HG2 MET A 17 -5.255 -6.352 0.433 1.00 0.00 H new ATOM 0 HG3 MET A 17 -5.731 -7.921 -0.188 1.00 0.00 H new ATOM 0 HE1 MET A 17 -5.540 -4.288 -2.378 1.00 0.00 H new ATOM 0 HE2 MET A 17 -4.608 -5.081 -1.086 1.00 0.00 H new ATOM 0 HE3 MET A 17 -4.704 -5.826 -2.699 1.00 0.00 H new ATOM 295 N ALA A 18 -6.873 -9.220 3.271 1.00 0.00 N ATOM 296 CA ALA A 18 -5.998 -10.005 4.125 1.00 0.00 C ATOM 297 C ALA A 18 -6.013 -11.462 3.660 1.00 0.00 C ATOM 298 O ALA A 18 -6.981 -12.184 3.894 1.00 0.00 O ATOM 299 CB ALA A 18 -6.437 -9.855 5.582 1.00 0.00 C ATOM 0 H ALA A 18 -7.534 -8.625 3.770 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.971 -9.646 4.055 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.780 -10.444 6.222 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -6.382 -8.806 5.873 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -7.462 -10.208 5.691 1.00 0.00 H new ATOM 305 N GLY A 19 -4.927 -11.853 3.008 1.00 0.00 N ATOM 306 CA GLY A 19 -4.802 -13.212 2.508 1.00 0.00 C ATOM 307 C GLY A 19 -5.410 -13.339 1.109 1.00 0.00 C ATOM 308 O GLY A 19 -5.984 -14.374 0.770 1.00 0.00 O ATOM 0 H GLY A 19 -4.126 -11.252 2.815 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -3.750 -13.497 2.479 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.301 -13.901 3.189 1.00 0.00 H new ATOM 312 N TYR A 20 -5.265 -12.274 0.337 1.00 0.00 N ATOM 313 CA TYR A 20 -5.793 -12.253 -1.017 1.00 0.00 C ATOM 314 C TYR A 20 -5.398 -13.520 -1.778 1.00 0.00 C ATOM 315 O TYR A 20 -4.712 -14.386 -1.237 1.00 0.00 O ATOM 316 CB TYR A 20 -5.155 -11.042 -1.701 1.00 0.00 C ATOM 317 CG TYR A 20 -5.813 -10.657 -3.027 1.00 0.00 C ATOM 318 CD1 TYR A 20 -7.015 -9.980 -3.029 1.00 0.00 C ATOM 319 CD2 TYR A 20 -5.204 -10.987 -4.221 1.00 0.00 C ATOM 320 CE1 TYR A 20 -7.635 -9.617 -4.278 1.00 0.00 C ATOM 321 CE2 TYR A 20 -5.824 -10.625 -5.469 1.00 0.00 C ATOM 322 CZ TYR A 20 -7.009 -9.959 -5.436 1.00 0.00 C ATOM 323 OH TYR A 20 -7.593 -9.617 -6.615 1.00 0.00 O ATOM 0 H TYR A 20 -4.789 -11.418 0.622 1.00 0.00 H new ATOM 0 HA TYR A 20 -6.882 -12.199 -1.004 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -5.201 -10.189 -1.024 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.100 -11.252 -1.878 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -7.491 -9.722 -2.095 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.263 -11.517 -4.219 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -8.575 -9.086 -4.294 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.358 -10.877 -6.410 1.00 0.00 H new ATOM 0 HH TYR A 20 -7.033 -9.924 -7.359 1.00 0.00 H new ATOM 333 N TYR A 21 -5.849 -13.589 -3.023 1.00 0.00 N ATOM 334 CA TYR A 21 -5.551 -14.736 -3.864 1.00 0.00 C ATOM 335 C TYR A 21 -4.182 -15.326 -3.523 1.00 0.00 C ATOM 336 O TYR A 21 -4.068 -16.518 -3.243 1.00 0.00 O ATOM 337 CB TYR A 21 -5.523 -14.209 -5.300 1.00 0.00 C ATOM 338 CG TYR A 21 -6.658 -14.738 -6.179 1.00 0.00 C ATOM 339 CD1 TYR A 21 -6.681 -16.067 -6.552 1.00 0.00 C ATOM 340 CD2 TYR A 21 -7.659 -13.886 -6.599 1.00 0.00 C ATOM 341 CE1 TYR A 21 -7.750 -16.563 -7.379 1.00 0.00 C ATOM 342 CE2 TYR A 21 -8.728 -14.383 -7.427 1.00 0.00 C ATOM 343 CZ TYR A 21 -8.720 -15.698 -7.776 1.00 0.00 C ATOM 344 OH TYR A 21 -9.729 -16.168 -8.557 1.00 0.00 O ATOM 0 H TYR A 21 -6.418 -12.869 -3.469 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.294 -15.520 -3.720 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.572 -13.120 -5.278 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.570 -14.476 -5.756 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -5.898 -16.734 -6.224 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -7.641 -12.846 -6.307 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -7.780 -17.600 -7.678 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -9.517 -13.727 -7.763 1.00 0.00 H new ATOM 0 HH TYR A 21 -10.350 -15.439 -8.763 1.00 0.00 H new ATOM 354 N GLY A 22 -3.176 -14.463 -3.556 1.00 0.00 N ATOM 355 CA GLY A 22 -1.819 -14.884 -3.254 1.00 0.00 C ATOM 356 C GLY A 22 -1.260 -14.114 -2.055 1.00 0.00 C ATOM 357 O GLY A 22 -0.990 -14.699 -1.008 1.00 0.00 O ATOM 0 H GLY A 22 -3.274 -13.474 -3.787 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.805 -15.953 -3.043 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.182 -14.722 -4.124 1.00 0.00 H new ATOM 361 N VAL A 23 -1.104 -12.813 -2.250 1.00 0.00 N ATOM 362 CA VAL A 23 -0.582 -11.956 -1.198 1.00 0.00 C ATOM 363 C VAL A 23 -1.189 -12.375 0.142 1.00 0.00 C ATOM 364 O VAL A 23 -2.405 -12.506 0.263 1.00 0.00 O ATOM 365 CB VAL A 23 -0.845 -10.488 -1.541 1.00 0.00 C ATOM 366 CG1 VAL A 23 -0.151 -9.560 -0.542 1.00 0.00 C ATOM 367 CG2 VAL A 23 -0.412 -10.173 -2.974 1.00 0.00 C ATOM 0 H VAL A 23 -1.330 -12.331 -3.120 1.00 0.00 H new ATOM 0 HA VAL A 23 0.499 -12.068 -1.114 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.919 -10.314 -1.470 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.353 -8.522 -0.808 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.529 -9.758 0.461 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.924 -9.738 -0.567 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -0.610 -9.123 -3.192 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.654 -10.371 -3.084 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.971 -10.799 -3.669 1.00 0.00 H new ATOM 377 N SER A 24 -0.311 -12.574 1.115 1.00 0.00 N ATOM 378 CA SER A 24 -0.745 -12.975 2.443 1.00 0.00 C ATOM 379 C SER A 24 -1.004 -11.738 3.305 1.00 0.00 C ATOM 380 O SER A 24 -0.461 -10.667 3.040 1.00 0.00 O ATOM 381 CB SER A 24 0.293 -13.880 3.111 1.00 0.00 C ATOM 382 OG SER A 24 -0.314 -14.866 3.942 1.00 0.00 O ATOM 0 H SER A 24 0.698 -12.465 1.010 1.00 0.00 H new ATOM 0 HA SER A 24 -1.671 -13.541 2.344 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.893 -14.371 2.345 1.00 0.00 H new ATOM 0 HB3 SER A 24 0.974 -13.272 3.707 1.00 0.00 H new ATOM 0 HG SER A 24 0.381 -15.424 4.349 1.00 0.00 H new ATOM 388 N LEU A 25 -1.835 -11.928 4.320 1.00 0.00 N ATOM 389 CA LEU A 25 -2.174 -10.840 5.223 1.00 0.00 C ATOM 390 C LEU A 25 -0.905 -10.349 5.921 1.00 0.00 C ATOM 391 O LEU A 25 -0.664 -9.146 6.006 1.00 0.00 O ATOM 392 CB LEU A 25 -3.280 -11.271 6.189 1.00 0.00 C ATOM 393 CG LEU A 25 -3.576 -10.308 7.340 1.00 0.00 C ATOM 394 CD1 LEU A 25 -3.953 -8.922 6.813 1.00 0.00 C ATOM 395 CD2 LEU A 25 -4.649 -10.879 8.270 1.00 0.00 C ATOM 0 H LEU A 25 -2.283 -12.818 4.537 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.580 -9.995 4.667 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.197 -11.417 5.618 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.010 -12.239 6.611 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.667 -10.191 7.930 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.158 -8.257 7.652 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.128 -8.520 6.225 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.841 -9.000 6.186 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.841 -10.175 9.080 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.568 -11.044 7.707 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.304 -11.825 8.686 1.00 0.00 H new ATOM 407 N ALA A 26 -0.124 -11.306 6.404 1.00 0.00 N ATOM 408 CA ALA A 26 1.114 -10.986 7.092 1.00 0.00 C ATOM 409 C ALA A 26 1.993 -10.126 6.179 1.00 0.00 C ATOM 410 O ALA A 26 2.533 -9.110 6.611 1.00 0.00 O ATOM 411 CB ALA A 26 1.810 -12.279 7.520 1.00 0.00 C ATOM 0 H ALA A 26 -0.326 -12.303 6.332 1.00 0.00 H new ATOM 0 HA ALA A 26 0.912 -10.410 7.995 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.739 -12.038 8.036 1.00 0.00 H new ATOM 0 HB2 ALA A 26 1.157 -12.839 8.190 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.030 -12.882 6.639 1.00 0.00 H new ATOM 417 N ASP A 27 2.105 -10.566 4.935 1.00 0.00 N ATOM 418 CA ASP A 27 2.908 -9.849 3.959 1.00 0.00 C ATOM 419 C ASP A 27 2.257 -8.496 3.664 1.00 0.00 C ATOM 420 O ASP A 27 2.951 -7.502 3.451 1.00 0.00 O ATOM 421 CB ASP A 27 2.998 -10.626 2.643 1.00 0.00 C ATOM 422 CG ASP A 27 3.382 -12.099 2.788 1.00 0.00 C ATOM 423 OD1 ASP A 27 4.316 -12.369 3.573 1.00 0.00 O ATOM 424 OD2 ASP A 27 2.731 -12.924 2.110 1.00 0.00 O ATOM 0 H ASP A 27 1.654 -11.409 4.580 1.00 0.00 H new ATOM 0 HA ASP A 27 3.908 -9.722 4.373 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.035 -10.565 2.136 1.00 0.00 H new ATOM 0 HB3 ASP A 27 3.729 -10.137 1.999 1.00 0.00 H new ATOM 429 N TRP A 28 0.932 -8.500 3.662 1.00 0.00 N ATOM 430 CA TRP A 28 0.181 -7.285 3.398 1.00 0.00 C ATOM 431 C TRP A 28 0.579 -6.246 4.447 1.00 0.00 C ATOM 432 O TRP A 28 0.910 -5.111 4.107 1.00 0.00 O ATOM 433 CB TRP A 28 -1.324 -7.564 3.374 1.00 0.00 C ATOM 434 CG TRP A 28 -1.892 -7.793 1.972 1.00 0.00 C ATOM 435 CD1 TRP A 28 -2.701 -8.780 1.561 1.00 0.00 C ATOM 436 CD2 TRP A 28 -1.661 -6.974 0.807 1.00 0.00 C ATOM 437 NE1 TRP A 28 -3.006 -8.657 0.221 1.00 0.00 N ATOM 438 CE2 TRP A 28 -2.353 -7.525 -0.253 1.00 0.00 C ATOM 439 CE3 TRP A 28 -0.892 -5.808 0.653 1.00 0.00 C ATOM 440 CZ2 TRP A 28 -2.346 -6.976 -1.540 1.00 0.00 C ATOM 441 CZ3 TRP A 28 -0.895 -5.273 -0.641 1.00 0.00 C ATOM 442 CH2 TRP A 28 -1.586 -5.814 -1.718 1.00 0.00 C ATOM 0 H TRP A 28 0.360 -9.325 3.839 1.00 0.00 H new ATOM 0 HA TRP A 28 0.420 -6.892 2.410 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -1.530 -8.442 3.986 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -1.846 -6.725 3.834 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.068 -9.571 2.198 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -3.601 -9.282 -0.322 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -0.342 -5.360 1.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.898 -7.425 -2.353 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -0.319 -4.376 -0.814 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -1.537 -5.341 -2.687 1.00 0.00 H new ATOM 453 N VAL A 29 0.532 -6.669 5.702 1.00 0.00 N ATOM 454 CA VAL A 29 0.884 -5.789 6.803 1.00 0.00 C ATOM 455 C VAL A 29 2.355 -5.384 6.677 1.00 0.00 C ATOM 456 O VAL A 29 2.670 -4.199 6.578 1.00 0.00 O ATOM 457 CB VAL A 29 0.562 -6.465 8.137 1.00 0.00 C ATOM 458 CG1 VAL A 29 1.359 -5.831 9.279 1.00 0.00 C ATOM 459 CG2 VAL A 29 -0.939 -6.421 8.425 1.00 0.00 C ATOM 0 H VAL A 29 0.255 -7.610 5.981 1.00 0.00 H new ATOM 0 HA VAL A 29 0.291 -4.875 6.766 1.00 0.00 H new ATOM 0 HB VAL A 29 0.858 -7.511 8.063 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.112 -6.330 10.216 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.426 -5.938 9.082 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.108 -4.773 9.354 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.141 -6.908 9.379 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.271 -5.384 8.470 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.477 -6.940 7.632 1.00 0.00 H new ATOM 469 N CYS A 30 3.215 -6.391 6.685 1.00 0.00 N ATOM 470 CA CYS A 30 4.645 -6.156 6.573 1.00 0.00 C ATOM 471 C CYS A 30 4.884 -5.208 5.396 1.00 0.00 C ATOM 472 O CYS A 30 5.593 -4.212 5.531 1.00 0.00 O ATOM 473 CB CYS A 30 5.424 -7.464 6.421 1.00 0.00 C ATOM 474 SG CYS A 30 5.723 -7.982 4.692 1.00 0.00 S ATOM 0 H CYS A 30 2.949 -7.372 6.767 1.00 0.00 H new ATOM 0 HA CYS A 30 5.014 -5.696 7.490 1.00 0.00 H new ATOM 0 HB2 CYS A 30 6.385 -7.359 6.925 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.879 -8.257 6.934 1.00 0.00 H new ATOM 479 N LEU A 31 4.281 -5.554 4.267 1.00 0.00 N ATOM 480 CA LEU A 31 4.420 -4.746 3.067 1.00 0.00 C ATOM 481 C LEU A 31 4.050 -3.296 3.387 1.00 0.00 C ATOM 482 O LEU A 31 4.834 -2.383 3.136 1.00 0.00 O ATOM 483 CB LEU A 31 3.608 -5.349 1.920 1.00 0.00 C ATOM 484 CG LEU A 31 3.393 -4.446 0.703 1.00 0.00 C ATOM 485 CD1 LEU A 31 4.716 -4.175 -0.019 1.00 0.00 C ATOM 486 CD2 LEU A 31 2.337 -5.032 -0.236 1.00 0.00 C ATOM 0 H LEU A 31 3.696 -6.382 4.158 1.00 0.00 H new ATOM 0 HA LEU A 31 5.456 -4.743 2.727 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.106 -6.260 1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.632 -5.642 2.307 1.00 0.00 H new ATOM 0 HG LEU A 31 3.014 -3.486 1.053 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.535 -3.531 -0.880 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.409 -3.683 0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.147 -5.118 -0.355 1.00 0.00 H new ATOM 0 HD21 LEU A 31 2.204 -4.370 -1.092 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.662 -6.013 -0.583 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.391 -5.131 0.297 1.00 0.00 H new ATOM 498 N ALA A 32 2.856 -3.132 3.938 1.00 0.00 N ATOM 499 CA ALA A 32 2.373 -1.808 4.295 1.00 0.00 C ATOM 500 C ALA A 32 3.321 -1.184 5.322 1.00 0.00 C ATOM 501 O ALA A 32 3.432 0.038 5.405 1.00 0.00 O ATOM 502 CB ALA A 32 0.938 -1.912 4.813 1.00 0.00 C ATOM 0 H ALA A 32 2.209 -3.893 4.146 1.00 0.00 H new ATOM 0 HA ALA A 32 2.358 -1.156 3.422 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.575 -0.920 5.081 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.300 -2.334 4.036 1.00 0.00 H new ATOM 0 HB3 ALA A 32 0.914 -2.557 5.692 1.00 0.00 H new ATOM 508 N GLN A 33 3.977 -2.052 6.077 1.00 0.00 N ATOM 509 CA GLN A 33 4.911 -1.601 7.095 1.00 0.00 C ATOM 510 C GLN A 33 6.142 -0.967 6.443 1.00 0.00 C ATOM 511 O GLN A 33 6.495 0.170 6.750 1.00 0.00 O ATOM 512 CB GLN A 33 5.312 -2.751 8.020 1.00 0.00 C ATOM 513 CG GLN A 33 5.843 -2.223 9.354 1.00 0.00 C ATOM 514 CD GLN A 33 7.263 -2.728 9.618 1.00 0.00 C ATOM 515 OE1 GLN A 33 7.767 -3.618 8.951 1.00 0.00 O ATOM 516 NE2 GLN A 33 7.877 -2.116 10.625 1.00 0.00 N ATOM 0 H GLN A 33 3.881 -3.065 6.005 1.00 0.00 H new ATOM 0 HA GLN A 33 4.416 -0.844 7.704 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.452 -3.397 8.197 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.075 -3.362 7.537 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.837 -1.133 9.346 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.184 -2.540 10.163 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.398 -1.379 11.142 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.828 -2.383 10.881 1.00 0.00 H new ATOM 525 N HIS A 34 6.761 -1.731 5.554 1.00 0.00 N ATOM 526 CA HIS A 34 7.944 -1.259 4.857 1.00 0.00 C ATOM 527 C HIS A 34 7.595 -0.015 4.038 1.00 0.00 C ATOM 528 O HIS A 34 8.471 0.785 3.711 1.00 0.00 O ATOM 529 CB HIS A 34 8.556 -2.375 4.007 1.00 0.00 C ATOM 530 CG HIS A 34 10.030 -2.198 3.731 1.00 0.00 C ATOM 531 ND1 HIS A 34 10.537 -1.111 3.042 1.00 0.00 N ATOM 532 CD2 HIS A 34 11.098 -2.981 4.056 1.00 0.00 C ATOM 533 CE1 HIS A 34 11.854 -1.243 2.962 1.00 0.00 C ATOM 534 NE2 HIS A 34 12.199 -2.404 3.590 1.00 0.00 N ATOM 0 H HIS A 34 6.465 -2.674 5.301 1.00 0.00 H new ATOM 0 HA HIS A 34 8.707 -0.973 5.581 1.00 0.00 H new ATOM 0 HB2 HIS A 34 8.403 -3.328 4.513 1.00 0.00 H new ATOM 0 HB3 HIS A 34 8.023 -2.429 3.058 1.00 0.00 H new ATOM 0 HD1 HIS A 34 9.991 -0.339 2.660 1.00 0.00 H new ATOM 0 HD2 HIS A 34 11.055 -3.913 4.600 1.00 0.00 H new ATOM 0 HE1 HIS A 34 12.534 -0.553 2.484 1.00 0.00 H new ATOM 543 N GLU A 35 6.312 0.109 3.728 1.00 0.00 N ATOM 544 CA GLU A 35 5.836 1.242 2.953 1.00 0.00 C ATOM 545 C GLU A 35 5.721 2.482 3.842 1.00 0.00 C ATOM 546 O GLU A 35 6.359 3.501 3.579 1.00 0.00 O ATOM 547 CB GLU A 35 4.499 0.924 2.280 1.00 0.00 C ATOM 548 CG GLU A 35 4.695 -0.024 1.094 1.00 0.00 C ATOM 549 CD GLU A 35 5.700 0.551 0.093 1.00 0.00 C ATOM 550 OE1 GLU A 35 6.907 0.295 0.291 1.00 0.00 O ATOM 551 OE2 GLU A 35 5.239 1.233 -0.847 1.00 0.00 O ATOM 0 H GLU A 35 5.588 -0.556 4.000 1.00 0.00 H new ATOM 0 HA GLU A 35 6.561 1.449 2.166 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.822 0.471 3.004 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.031 1.847 1.939 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.046 -0.992 1.452 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.739 -0.195 0.598 1.00 0.00 H new ATOM 558 N SER A 36 4.902 2.356 4.876 1.00 0.00 N ATOM 559 CA SER A 36 4.695 3.454 5.805 1.00 0.00 C ATOM 560 C SER A 36 3.899 2.969 7.019 1.00 0.00 C ATOM 561 O SER A 36 4.415 2.949 8.135 1.00 0.00 O ATOM 562 CB SER A 36 3.971 4.620 5.127 1.00 0.00 C ATOM 563 OG SER A 36 3.792 5.723 6.011 1.00 0.00 O ATOM 0 H SER A 36 4.374 1.510 5.091 1.00 0.00 H new ATOM 0 HA SER A 36 5.670 3.810 6.136 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.540 4.943 4.255 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.999 4.283 4.766 1.00 0.00 H new ATOM 0 HG SER A 36 4.102 6.545 5.576 1.00 0.00 H new ATOM 569 N ASN A 37 2.656 2.591 6.759 1.00 0.00 N ATOM 570 CA ASN A 37 1.785 2.107 7.817 1.00 0.00 C ATOM 571 C ASN A 37 1.886 3.043 9.022 1.00 0.00 C ATOM 572 O ASN A 37 2.299 4.194 8.886 1.00 0.00 O ATOM 573 CB ASN A 37 2.197 0.705 8.271 1.00 0.00 C ATOM 574 CG ASN A 37 0.977 -0.110 8.706 1.00 0.00 C ATOM 575 OD1 ASN A 37 -0.132 0.081 8.232 1.00 0.00 O ATOM 576 ND2 ASN A 37 1.241 -1.027 9.633 1.00 0.00 N ATOM 0 H ASN A 37 2.231 2.610 5.832 1.00 0.00 H new ATOM 0 HA ASN A 37 0.767 2.076 7.428 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.711 0.192 7.458 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.903 0.779 9.098 1.00 0.00 H new ATOM 0 HD21 ASN A 37 0.493 -1.622 9.989 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.191 -1.135 9.987 1.00 0.00 H new ATOM 583 N TYR A 38 1.501 2.516 10.175 1.00 0.00 N ATOM 584 CA TYR A 38 1.542 3.291 11.403 1.00 0.00 C ATOM 585 C TYR A 38 0.685 4.552 11.286 1.00 0.00 C ATOM 586 O TYR A 38 -0.427 4.602 11.812 1.00 0.00 O ATOM 587 CB TYR A 38 3.005 3.699 11.595 1.00 0.00 C ATOM 588 CG TYR A 38 3.809 2.736 12.471 1.00 0.00 C ATOM 589 CD1 TYR A 38 3.792 2.874 13.843 1.00 0.00 C ATOM 590 CD2 TYR A 38 4.553 1.730 11.887 1.00 0.00 C ATOM 591 CE1 TYR A 38 4.550 1.968 14.667 1.00 0.00 C ATOM 592 CE2 TYR A 38 5.310 0.824 12.711 1.00 0.00 C ATOM 593 CZ TYR A 38 5.272 0.988 14.061 1.00 0.00 C ATOM 594 OH TYR A 38 5.987 0.132 14.838 1.00 0.00 O ATOM 0 H TYR A 38 1.159 1.561 10.285 1.00 0.00 H new ATOM 0 HA TYR A 38 1.157 2.706 12.238 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.483 3.771 10.618 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.039 4.693 12.040 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.210 3.661 14.300 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.567 1.623 10.812 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.545 2.065 15.743 1.00 0.00 H new ATOM 0 HE2 TYR A 38 5.895 0.032 12.267 1.00 0.00 H new ATOM 0 HH TYR A 38 6.452 -0.516 14.269 1.00 0.00 H new ATOM 604 N ASN A 39 1.232 5.539 10.592 1.00 0.00 N ATOM 605 CA ASN A 39 0.531 6.796 10.400 1.00 0.00 C ATOM 606 C ASN A 39 0.081 6.906 8.940 1.00 0.00 C ATOM 607 O ASN A 39 0.817 6.527 8.031 1.00 0.00 O ATOM 608 CB ASN A 39 1.442 7.988 10.704 1.00 0.00 C ATOM 609 CG ASN A 39 2.132 7.817 12.058 1.00 0.00 C ATOM 610 OD1 ASN A 39 2.857 6.865 12.300 1.00 0.00 O ATOM 611 ND2 ASN A 39 1.869 8.790 12.926 1.00 0.00 N ATOM 0 H ASN A 39 2.153 5.493 10.156 1.00 0.00 H new ATOM 0 HA ASN A 39 -0.323 6.813 11.078 1.00 0.00 H new ATOM 0 HB2 ASN A 39 2.192 8.087 9.919 1.00 0.00 H new ATOM 0 HB3 ASN A 39 0.857 8.908 10.703 1.00 0.00 H new ATOM 0 HD21 ASN A 39 2.283 8.768 13.858 1.00 0.00 H new ATOM 0 HD22 ASN A 39 1.253 9.558 12.660 1.00 0.00 H new ATOM 618 N THR A 40 -1.124 7.426 8.764 1.00 0.00 N ATOM 619 CA THR A 40 -1.680 7.590 7.431 1.00 0.00 C ATOM 620 C THR A 40 -1.336 8.973 6.876 1.00 0.00 C ATOM 621 O THR A 40 -2.216 9.700 6.420 1.00 0.00 O ATOM 622 CB THR A 40 -3.185 7.326 7.512 1.00 0.00 C ATOM 623 OG1 THR A 40 -3.695 8.439 8.241 1.00 0.00 O ATOM 624 CG2 THR A 40 -3.522 6.119 8.391 1.00 0.00 C ATOM 0 H THR A 40 -1.731 7.739 9.521 1.00 0.00 H new ATOM 0 HA THR A 40 -1.246 6.876 6.731 1.00 0.00 H new ATOM 0 HB THR A 40 -3.579 7.166 6.508 1.00 0.00 H new ATOM 0 HG1 THR A 40 -3.686 9.236 7.670 1.00 0.00 H new ATOM 0 HG21 THR A 40 -4.602 5.976 8.414 1.00 0.00 H new ATOM 0 HG22 THR A 40 -3.047 5.227 7.982 1.00 0.00 H new ATOM 0 HG23 THR A 40 -3.157 6.293 9.403 1.00 0.00 H new ATOM 632 N ARG A 41 -0.051 9.295 6.933 1.00 0.00 N ATOM 633 CA ARG A 41 0.421 10.578 6.442 1.00 0.00 C ATOM 634 C ARG A 41 1.495 10.374 5.371 1.00 0.00 C ATOM 635 O ARG A 41 2.248 11.295 5.057 1.00 0.00 O ATOM 636 CB ARG A 41 0.999 11.424 7.578 1.00 0.00 C ATOM 637 CG ARG A 41 0.956 12.913 7.229 1.00 0.00 C ATOM 638 CD ARG A 41 0.250 13.714 8.325 1.00 0.00 C ATOM 639 NE ARG A 41 0.541 15.156 8.167 1.00 0.00 N ATOM 640 CZ ARG A 41 0.375 16.067 9.136 1.00 0.00 C ATOM 641 NH1 ARG A 41 -0.082 15.691 10.338 1.00 0.00 N ATOM 642 NH2 ARG A 41 0.665 17.354 8.902 1.00 0.00 N ATOM 0 H ARG A 41 0.677 8.689 7.312 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.432 11.102 6.011 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.435 11.245 8.493 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.028 11.122 7.774 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.971 13.288 7.096 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.438 13.053 6.280 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.826 13.544 8.275 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.581 13.373 9.306 1.00 0.00 H new ATOM 0 HE ARG A 41 0.890 15.477 7.264 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -0.304 14.711 10.516 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.208 16.384 11.075 1.00 0.00 H new ATOM 0 HH21 ARG A 41 1.012 17.640 7.987 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.539 18.047 9.639 1.00 0.00 H new ATOM 656 N ALA A 42 1.531 9.160 4.839 1.00 0.00 N ATOM 657 CA ALA A 42 2.500 8.823 3.810 1.00 0.00 C ATOM 658 C ALA A 42 2.377 9.819 2.655 1.00 0.00 C ATOM 659 O ALA A 42 1.571 9.623 1.746 1.00 0.00 O ATOM 660 CB ALA A 42 2.284 7.377 3.360 1.00 0.00 C ATOM 0 H ALA A 42 0.905 8.399 5.101 1.00 0.00 H new ATOM 0 HA ALA A 42 3.515 8.894 4.200 1.00 0.00 H new ATOM 0 HB1 ALA A 42 3.011 7.124 2.588 1.00 0.00 H new ATOM 0 HB2 ALA A 42 2.411 6.708 4.211 1.00 0.00 H new ATOM 0 HB3 ALA A 42 1.276 7.267 2.960 1.00 0.00 H new ATOM 666 N THR A 43 3.188 10.865 2.727 1.00 0.00 N ATOM 667 CA THR A 43 3.181 11.890 1.698 1.00 0.00 C ATOM 668 C THR A 43 4.590 12.447 1.490 1.00 0.00 C ATOM 669 O THR A 43 5.166 13.047 2.396 1.00 0.00 O ATOM 670 CB THR A 43 2.160 12.956 2.101 1.00 0.00 C ATOM 671 OG1 THR A 43 2.339 13.093 3.509 1.00 0.00 O ATOM 672 CG2 THR A 43 0.717 12.471 1.956 1.00 0.00 C ATOM 0 H THR A 43 3.854 11.024 3.483 1.00 0.00 H new ATOM 0 HA THR A 43 2.882 11.480 0.733 1.00 0.00 H new ATOM 0 HB THR A 43 2.306 13.847 1.490 1.00 0.00 H new ATOM 0 HG1 THR A 43 1.858 12.375 3.971 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.034 13.266 2.255 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.527 12.201 0.917 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.560 11.600 2.592 1.00 0.00 H new ATOM 680 N ASN A 44 5.107 12.227 0.288 1.00 0.00 N ATOM 681 CA ASN A 44 6.438 12.699 -0.051 1.00 0.00 C ATOM 682 C ASN A 44 6.505 12.986 -1.552 1.00 0.00 C ATOM 683 O ASN A 44 6.638 12.068 -2.358 1.00 0.00 O ATOM 684 CB ASN A 44 7.497 11.644 0.277 1.00 0.00 C ATOM 685 CG ASN A 44 8.620 12.240 1.127 1.00 0.00 C ATOM 686 OD1 ASN A 44 8.744 13.443 1.284 1.00 0.00 O ATOM 687 ND2 ASN A 44 9.432 11.332 1.664 1.00 0.00 N ATOM 0 H ASN A 44 4.627 11.728 -0.461 1.00 0.00 H new ATOM 0 HA ASN A 44 6.635 13.600 0.530 1.00 0.00 H new ATOM 0 HB2 ASN A 44 7.035 10.813 0.810 1.00 0.00 H new ATOM 0 HB3 ASN A 44 7.911 11.240 -0.647 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.215 11.629 2.247 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.272 10.339 1.492 1.00 0.00 H new ATOM 694 N TYR A 45 6.410 14.266 -1.881 1.00 0.00 N ATOM 695 CA TYR A 45 6.459 14.686 -3.271 1.00 0.00 C ATOM 696 C TYR A 45 7.902 14.923 -3.723 1.00 0.00 C ATOM 697 O TYR A 45 8.793 15.100 -2.895 1.00 0.00 O ATOM 698 CB TYR A 45 5.692 16.008 -3.340 1.00 0.00 C ATOM 699 CG TYR A 45 6.468 17.207 -2.792 1.00 0.00 C ATOM 700 CD1 TYR A 45 6.375 17.536 -1.454 1.00 0.00 C ATOM 701 CD2 TYR A 45 7.262 17.959 -3.633 1.00 0.00 C ATOM 702 CE1 TYR A 45 7.106 18.665 -0.938 1.00 0.00 C ATOM 703 CE2 TYR A 45 7.993 19.087 -3.117 1.00 0.00 C ATOM 704 CZ TYR A 45 7.878 19.384 -1.795 1.00 0.00 C ATOM 705 OH TYR A 45 8.568 20.450 -1.307 1.00 0.00 O ATOM 0 H TYR A 45 6.299 15.026 -1.209 1.00 0.00 H new ATOM 0 HA TYR A 45 6.031 13.920 -3.918 1.00 0.00 H new ATOM 0 HB2 TYR A 45 5.423 16.206 -4.377 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.761 15.905 -2.783 1.00 0.00 H new ATOM 0 HD1 TYR A 45 5.755 16.947 -0.795 1.00 0.00 H new ATOM 0 HD2 TYR A 45 7.335 17.701 -4.679 1.00 0.00 H new ATOM 0 HE1 TYR A 45 7.042 18.934 0.106 1.00 0.00 H new ATOM 0 HE2 TYR A 45 8.618 19.683 -3.765 1.00 0.00 H new ATOM 0 HH TYR A 45 9.078 20.869 -2.031 1.00 0.00 H new ATOM 715 N ASN A 46 8.086 14.919 -5.035 1.00 0.00 N ATOM 716 CA ASN A 46 9.405 15.132 -5.606 1.00 0.00 C ATOM 717 C ASN A 46 9.259 15.588 -7.059 1.00 0.00 C ATOM 718 O ASN A 46 8.971 14.780 -7.941 1.00 0.00 O ATOM 719 CB ASN A 46 10.224 13.840 -5.596 1.00 0.00 C ATOM 720 CG ASN A 46 10.551 13.408 -4.165 1.00 0.00 C ATOM 721 OD1 ASN A 46 9.861 12.605 -3.558 1.00 0.00 O ATOM 722 ND2 ASN A 46 11.638 13.985 -3.661 1.00 0.00 N ATOM 0 H ASN A 46 7.344 14.772 -5.719 1.00 0.00 H new ATOM 0 HA ASN A 46 9.914 15.887 -5.007 1.00 0.00 H new ATOM 0 HB2 ASN A 46 9.668 13.049 -6.100 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.148 13.987 -6.155 1.00 0.00 H new ATOM 0 HD21 ASN A 46 11.939 13.764 -2.712 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.170 14.649 -4.223 1.00 0.00 H new ATOM 729 N ARG A 47 9.465 16.880 -7.264 1.00 0.00 N ATOM 730 CA ARG A 47 9.360 17.454 -8.595 1.00 0.00 C ATOM 731 C ARG A 47 10.553 17.027 -9.452 1.00 0.00 C ATOM 732 O ARG A 47 10.422 16.857 -10.664 1.00 0.00 O ATOM 733 CB ARG A 47 9.305 18.981 -8.534 1.00 0.00 C ATOM 734 CG ARG A 47 8.413 19.543 -9.643 1.00 0.00 C ATOM 735 CD ARG A 47 7.247 20.341 -9.057 1.00 0.00 C ATOM 736 NE ARG A 47 7.025 21.570 -9.853 1.00 0.00 N ATOM 737 CZ ARG A 47 7.877 22.604 -9.891 1.00 0.00 C ATOM 738 NH1 ARG A 47 9.012 22.564 -9.180 1.00 0.00 N ATOM 739 NH2 ARG A 47 7.594 23.678 -10.641 1.00 0.00 N ATOM 0 H ARG A 47 9.704 17.547 -6.530 1.00 0.00 H new ATOM 0 HA ARG A 47 8.436 17.087 -9.043 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.925 19.296 -7.562 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.311 19.389 -8.630 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.003 20.183 -10.300 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.029 18.727 -10.254 1.00 0.00 H new ATOM 0 HD2 ARG A 47 6.343 19.731 -9.054 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.459 20.602 -8.020 1.00 0.00 H new ATOM 0 HE ARG A 47 6.171 21.634 -10.407 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.228 21.746 -8.610 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.660 23.351 -9.209 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.730 23.708 -11.183 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.242 24.465 -10.670 1.00 0.00 H new ATOM 753 N GLY A 48 11.688 16.864 -8.790 1.00 0.00 N ATOM 754 CA GLY A 48 12.903 16.460 -9.477 1.00 0.00 C ATOM 755 C GLY A 48 12.592 15.487 -10.616 1.00 0.00 C ATOM 756 O GLY A 48 13.250 15.512 -11.655 1.00 0.00 O ATOM 0 H GLY A 48 11.792 17.004 -7.785 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.410 17.340 -9.874 1.00 0.00 H new ATOM 0 HA3 GLY A 48 13.586 15.990 -8.769 1.00 0.00 H new ATOM 760 N ASP A 49 11.589 14.654 -10.383 1.00 0.00 N ATOM 761 CA ASP A 49 11.183 13.676 -11.377 1.00 0.00 C ATOM 762 C ASP A 49 9.655 13.637 -11.453 1.00 0.00 C ATOM 763 O ASP A 49 9.067 12.581 -11.678 1.00 0.00 O ATOM 764 CB ASP A 49 11.673 12.275 -11.004 1.00 0.00 C ATOM 765 CG ASP A 49 12.302 11.483 -12.152 1.00 0.00 C ATOM 766 OD1 ASP A 49 11.734 11.548 -13.264 1.00 0.00 O ATOM 767 OD2 ASP A 49 13.335 10.830 -11.891 1.00 0.00 O ATOM 0 H ASP A 49 11.045 14.636 -9.520 1.00 0.00 H new ATOM 0 HA ASP A 49 11.617 13.967 -12.333 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.404 12.364 -10.201 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.832 11.706 -10.608 1.00 0.00 H new ATOM 772 N GLN A 50 9.056 14.803 -11.264 1.00 0.00 N ATOM 773 CA GLN A 50 7.607 14.917 -11.308 1.00 0.00 C ATOM 774 C GLN A 50 6.958 13.670 -10.701 1.00 0.00 C ATOM 775 O GLN A 50 5.964 13.169 -11.221 1.00 0.00 O ATOM 776 CB GLN A 50 7.119 15.146 -12.739 1.00 0.00 C ATOM 777 CG GLN A 50 5.752 15.830 -12.749 1.00 0.00 C ATOM 778 CD GLN A 50 5.897 17.351 -12.654 1.00 0.00 C ATOM 779 OE1 GLN A 50 6.847 17.940 -13.143 1.00 0.00 O ATOM 780 NE2 GLN A 50 4.907 17.950 -11.999 1.00 0.00 N ATOM 0 H GLN A 50 9.547 15.678 -11.080 1.00 0.00 H new ATOM 0 HA GLN A 50 7.312 15.783 -10.715 1.00 0.00 H new ATOM 0 HB2 GLN A 50 7.840 15.759 -13.279 1.00 0.00 H new ATOM 0 HB3 GLN A 50 7.056 14.192 -13.263 1.00 0.00 H new ATOM 0 HG2 GLN A 50 5.218 15.569 -13.662 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.153 15.466 -11.914 1.00 0.00 H new ATOM 0 HE21 GLN A 50 4.141 17.396 -11.614 1.00 0.00 H new ATOM 0 HE22 GLN A 50 4.913 18.963 -11.881 1.00 0.00 H new ATOM 789 N SER A 51 7.549 13.207 -9.609 1.00 0.00 N ATOM 790 CA SER A 51 7.042 12.030 -8.925 1.00 0.00 C ATOM 791 C SER A 51 6.718 12.369 -7.469 1.00 0.00 C ATOM 792 O SER A 51 7.328 13.263 -6.886 1.00 0.00 O ATOM 793 CB SER A 51 8.047 10.878 -8.992 1.00 0.00 C ATOM 794 OG SER A 51 9.331 11.261 -8.508 1.00 0.00 O ATOM 0 H SER A 51 8.375 13.626 -9.181 1.00 0.00 H new ATOM 0 HA SER A 51 6.129 11.709 -9.428 1.00 0.00 H new ATOM 0 HB2 SER A 51 7.675 10.038 -8.406 1.00 0.00 H new ATOM 0 HB3 SER A 51 8.136 10.534 -10.022 1.00 0.00 H new ATOM 0 HG SER A 51 9.943 10.498 -8.566 1.00 0.00 H new ATOM 800 N THR A 52 5.758 11.637 -6.923 1.00 0.00 N ATOM 801 CA THR A 52 5.346 11.848 -5.547 1.00 0.00 C ATOM 802 C THR A 52 4.990 10.516 -4.886 1.00 0.00 C ATOM 803 O THR A 52 4.232 9.723 -5.446 1.00 0.00 O ATOM 804 CB THR A 52 4.193 12.854 -5.548 1.00 0.00 C ATOM 805 OG1 THR A 52 4.835 14.119 -5.687 1.00 0.00 O ATOM 806 CG2 THR A 52 3.491 12.941 -4.191 1.00 0.00 C ATOM 0 H THR A 52 5.253 10.896 -7.410 1.00 0.00 H new ATOM 0 HA THR A 52 6.158 12.263 -4.950 1.00 0.00 H new ATOM 0 HB THR A 52 3.470 12.576 -6.315 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.160 14.829 -5.699 1.00 0.00 H new ATOM 0 HG21 THR A 52 2.681 13.669 -4.246 1.00 0.00 H new ATOM 0 HG22 THR A 52 3.084 11.964 -3.929 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.207 13.252 -3.430 1.00 0.00 H new ATOM 814 N ASP A 53 5.551 10.309 -3.704 1.00 0.00 N ATOM 815 CA ASP A 53 5.302 9.085 -2.961 1.00 0.00 C ATOM 816 C ASP A 53 4.267 9.360 -1.868 1.00 0.00 C ATOM 817 O ASP A 53 4.608 9.848 -0.792 1.00 0.00 O ATOM 818 CB ASP A 53 6.578 8.581 -2.286 1.00 0.00 C ATOM 819 CG ASP A 53 7.836 8.637 -3.157 1.00 0.00 C ATOM 820 OD1 ASP A 53 7.870 9.513 -4.047 1.00 0.00 O ATOM 821 OD2 ASP A 53 8.734 7.803 -2.911 1.00 0.00 O ATOM 0 H ASP A 53 6.177 10.968 -3.242 1.00 0.00 H new ATOM 0 HA ASP A 53 4.943 8.332 -3.662 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.751 9.170 -1.385 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.420 7.550 -1.968 1.00 0.00 H new ATOM 826 N TYR A 54 3.021 9.033 -2.182 1.00 0.00 N ATOM 827 CA TYR A 54 1.934 9.238 -1.240 1.00 0.00 C ATOM 828 C TYR A 54 1.160 7.939 -1.004 1.00 0.00 C ATOM 829 O TYR A 54 1.230 7.015 -1.814 1.00 0.00 O ATOM 830 CB TYR A 54 1.002 10.262 -1.890 1.00 0.00 C ATOM 831 CG TYR A 54 1.288 11.710 -1.484 1.00 0.00 C ATOM 832 CD1 TYR A 54 2.572 12.208 -1.567 1.00 0.00 C ATOM 833 CD2 TYR A 54 0.261 12.517 -1.036 1.00 0.00 C ATOM 834 CE1 TYR A 54 2.841 13.570 -1.185 1.00 0.00 C ATOM 835 CE2 TYR A 54 0.530 13.879 -0.655 1.00 0.00 C ATOM 836 CZ TYR A 54 1.807 14.338 -0.748 1.00 0.00 C ATOM 837 OH TYR A 54 2.062 15.625 -0.387 1.00 0.00 O ATOM 0 H TYR A 54 2.741 8.628 -3.075 1.00 0.00 H new ATOM 0 HA TYR A 54 2.318 9.574 -0.277 1.00 0.00 H new ATOM 0 HB2 TYR A 54 1.084 10.176 -2.974 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.028 10.019 -1.628 1.00 0.00 H new ATOM 0 HD1 TYR A 54 3.375 11.577 -1.918 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.744 12.127 -0.971 1.00 0.00 H new ATOM 0 HE1 TYR A 54 3.841 13.973 -1.244 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -0.264 14.521 -0.303 1.00 0.00 H new ATOM 0 HH TYR A 54 1.230 16.054 -0.097 1.00 0.00 H new ATOM 847 N GLY A 55 0.441 7.910 0.107 1.00 0.00 N ATOM 848 CA GLY A 55 -0.346 6.740 0.459 1.00 0.00 C ATOM 849 C GLY A 55 0.420 5.837 1.430 1.00 0.00 C ATOM 850 O GLY A 55 1.638 5.704 1.330 1.00 0.00 O ATOM 0 H GLY A 55 0.386 8.678 0.776 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.287 7.053 0.912 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.597 6.181 -0.443 1.00 0.00 H new ATOM 854 N ILE A 56 -0.328 5.242 2.348 1.00 0.00 N ATOM 855 CA ILE A 56 0.265 4.356 3.336 1.00 0.00 C ATOM 856 C ILE A 56 1.138 3.318 2.626 1.00 0.00 C ATOM 857 O ILE A 56 2.122 2.841 3.189 1.00 0.00 O ATOM 858 CB ILE A 56 -0.820 3.743 4.225 1.00 0.00 C ATOM 859 CG1 ILE A 56 -0.233 3.269 5.556 1.00 0.00 C ATOM 860 CG2 ILE A 56 -1.559 2.622 3.493 1.00 0.00 C ATOM 861 CD1 ILE A 56 -1.337 3.042 6.591 1.00 0.00 C ATOM 0 H ILE A 56 -1.338 5.356 2.428 1.00 0.00 H new ATOM 0 HA ILE A 56 0.917 4.915 4.007 1.00 0.00 H new ATOM 0 HB ILE A 56 -1.553 4.516 4.453 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.324 2.344 5.404 1.00 0.00 H new ATOM 0 HG13 ILE A 56 0.475 4.009 5.930 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.324 2.203 4.147 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.028 3.022 2.594 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.852 1.840 3.216 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.894 2.706 7.528 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.876 3.975 6.759 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -2.029 2.284 6.224 1.00 0.00 H new ATOM 873 N PHE A 57 0.745 3.000 1.401 1.00 0.00 N ATOM 874 CA PHE A 57 1.478 2.028 0.609 1.00 0.00 C ATOM 875 C PHE A 57 2.572 2.707 -0.217 1.00 0.00 C ATOM 876 O PHE A 57 3.045 2.149 -1.206 1.00 0.00 O ATOM 877 CB PHE A 57 0.473 1.372 -0.339 1.00 0.00 C ATOM 878 CG PHE A 57 -0.449 0.355 0.338 1.00 0.00 C ATOM 879 CD1 PHE A 57 0.081 -0.679 1.044 1.00 0.00 C ATOM 880 CD2 PHE A 57 -1.799 0.486 0.234 1.00 0.00 C ATOM 881 CE1 PHE A 57 -0.774 -1.623 1.672 1.00 0.00 C ATOM 882 CE2 PHE A 57 -2.655 -0.457 0.862 1.00 0.00 C ATOM 883 CZ PHE A 57 -2.124 -1.491 1.568 1.00 0.00 C ATOM 0 H PHE A 57 -0.072 3.399 0.938 1.00 0.00 H new ATOM 0 HA PHE A 57 1.954 1.299 1.264 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.137 2.149 -0.800 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.017 0.875 -1.142 1.00 0.00 H new ATOM 0 HD1 PHE A 57 1.153 -0.782 1.127 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -2.220 1.308 -0.326 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.353 -2.445 2.232 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -3.727 -0.353 0.779 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.775 -2.208 2.047 1.00 0.00 H new ATOM 893 N GLN A 58 2.942 3.902 0.219 1.00 0.00 N ATOM 894 CA GLN A 58 3.971 4.664 -0.468 1.00 0.00 C ATOM 895 C GLN A 58 3.850 4.474 -1.982 1.00 0.00 C ATOM 896 O GLN A 58 4.746 3.916 -2.614 1.00 0.00 O ATOM 897 CB GLN A 58 5.365 4.270 0.024 1.00 0.00 C ATOM 898 CG GLN A 58 6.320 5.464 -0.021 1.00 0.00 C ATOM 899 CD GLN A 58 6.754 5.875 1.388 1.00 0.00 C ATOM 900 OE1 GLN A 58 7.872 5.639 1.814 1.00 0.00 O ATOM 901 NE2 GLN A 58 5.809 6.499 2.085 1.00 0.00 N ATOM 0 H GLN A 58 2.548 4.362 1.040 1.00 0.00 H new ATOM 0 HA GLN A 58 3.826 5.720 -0.241 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.301 3.889 1.043 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.758 3.462 -0.594 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.197 5.210 -0.616 1.00 0.00 H new ATOM 0 HG3 GLN A 58 5.833 6.305 -0.515 1.00 0.00 H new ATOM 0 HE21 GLN A 58 4.893 6.665 1.668 1.00 0.00 H new ATOM 0 HE22 GLN A 58 6.000 6.812 3.037 1.00 0.00 H new ATOM 910 N ILE A 59 2.737 4.950 -2.518 1.00 0.00 N ATOM 911 CA ILE A 59 2.487 4.839 -3.945 1.00 0.00 C ATOM 912 C ILE A 59 3.021 6.087 -4.650 1.00 0.00 C ATOM 913 O ILE A 59 2.835 7.205 -4.168 1.00 0.00 O ATOM 914 CB ILE A 59 1.004 4.571 -4.211 1.00 0.00 C ATOM 915 CG1 ILE A 59 0.574 3.230 -3.611 1.00 0.00 C ATOM 916 CG2 ILE A 59 0.691 4.657 -5.706 1.00 0.00 C ATOM 917 CD1 ILE A 59 -0.866 2.891 -4.003 1.00 0.00 C ATOM 0 H ILE A 59 1.998 5.414 -1.990 1.00 0.00 H new ATOM 0 HA ILE A 59 3.021 3.984 -4.359 1.00 0.00 H new ATOM 0 HB ILE A 59 0.421 5.348 -3.715 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.244 2.442 -3.955 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.660 3.269 -2.525 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.369 4.463 -5.868 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.937 5.654 -6.073 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.282 3.916 -6.245 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.147 1.934 -3.564 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.536 3.669 -3.636 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.943 2.829 -5.089 1.00 0.00 H new ATOM 929 N ASN A 60 3.675 5.857 -5.779 1.00 0.00 N ATOM 930 CA ASN A 60 4.238 6.949 -6.554 1.00 0.00 C ATOM 931 C ASN A 60 3.140 7.578 -7.414 1.00 0.00 C ATOM 932 O ASN A 60 2.329 6.868 -8.008 1.00 0.00 O ATOM 933 CB ASN A 60 5.342 6.450 -7.489 1.00 0.00 C ATOM 934 CG ASN A 60 6.722 6.872 -6.982 1.00 0.00 C ATOM 935 OD1 ASN A 60 7.263 6.316 -6.040 1.00 0.00 O ATOM 936 ND2 ASN A 60 7.260 7.884 -7.657 1.00 0.00 N ATOM 0 H ASN A 60 3.828 4.930 -6.176 1.00 0.00 H new ATOM 0 HA ASN A 60 4.656 7.675 -5.857 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.295 5.364 -7.565 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.182 6.847 -8.491 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.180 8.240 -7.396 1.00 0.00 H new ATOM 0 HD22 ASN A 60 6.753 8.304 -8.436 1.00 0.00 H new ATOM 943 N SER A 61 3.148 8.902 -7.454 1.00 0.00 N ATOM 944 CA SER A 61 2.162 9.633 -8.231 1.00 0.00 C ATOM 945 C SER A 61 2.691 9.884 -9.645 1.00 0.00 C ATOM 946 O SER A 61 2.043 10.558 -10.443 1.00 0.00 O ATOM 947 CB SER A 61 1.802 10.959 -7.556 1.00 0.00 C ATOM 948 OG SER A 61 1.746 10.837 -6.137 1.00 0.00 O ATOM 0 H SER A 61 3.822 9.488 -6.961 1.00 0.00 H new ATOM 0 HA SER A 61 1.257 9.029 -8.291 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.539 11.715 -7.826 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.838 11.306 -7.929 1.00 0.00 H new ATOM 0 HG SER A 61 2.630 10.587 -5.795 1.00 0.00 H new ATOM 954 N ARG A 62 3.864 9.327 -9.910 1.00 0.00 N ATOM 955 CA ARG A 62 4.487 9.482 -11.214 1.00 0.00 C ATOM 956 C ARG A 62 4.021 8.373 -12.160 1.00 0.00 C ATOM 957 O ARG A 62 4.373 8.370 -13.339 1.00 0.00 O ATOM 958 CB ARG A 62 6.013 9.440 -11.103 1.00 0.00 C ATOM 959 CG ARG A 62 6.660 10.422 -12.081 1.00 0.00 C ATOM 960 CD ARG A 62 7.760 9.739 -12.897 1.00 0.00 C ATOM 961 NE ARG A 62 7.417 9.770 -14.336 1.00 0.00 N ATOM 962 CZ ARG A 62 7.898 8.908 -15.242 1.00 0.00 C ATOM 963 NH1 ARG A 62 8.746 7.943 -14.864 1.00 0.00 N ATOM 964 NH2 ARG A 62 7.531 9.012 -16.527 1.00 0.00 N ATOM 0 H ARG A 62 4.399 8.768 -9.245 1.00 0.00 H new ATOM 0 HA ARG A 62 4.189 10.452 -11.611 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.314 9.684 -10.084 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.369 8.430 -11.307 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.902 10.825 -12.752 1.00 0.00 H new ATOM 0 HG3 ARG A 62 7.080 11.265 -11.532 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.713 10.242 -12.731 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.882 8.708 -12.566 1.00 0.00 H new ATOM 0 HE ARG A 62 6.774 10.493 -14.659 1.00 0.00 H new ATOM 0 HH11 ARG A 62 9.026 7.864 -13.886 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.112 7.287 -15.554 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.886 9.747 -16.815 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.897 8.356 -17.217 1.00 0.00 H new ATOM 978 N TYR A 63 3.237 7.459 -11.608 1.00 0.00 N ATOM 979 CA TYR A 63 2.719 6.348 -12.388 1.00 0.00 C ATOM 980 C TYR A 63 1.292 5.996 -11.962 1.00 0.00 C ATOM 981 O TYR A 63 0.384 5.961 -12.790 1.00 0.00 O ATOM 982 CB TYR A 63 3.635 5.159 -12.089 1.00 0.00 C ATOM 983 CG TYR A 63 4.448 4.682 -13.294 1.00 0.00 C ATOM 984 CD1 TYR A 63 3.825 4.000 -14.320 1.00 0.00 C ATOM 985 CD2 TYR A 63 5.804 4.934 -13.355 1.00 0.00 C ATOM 986 CE1 TYR A 63 4.591 3.550 -15.453 1.00 0.00 C ATOM 987 CE2 TYR A 63 6.569 4.483 -14.489 1.00 0.00 C ATOM 988 CZ TYR A 63 5.924 3.814 -15.483 1.00 0.00 C ATOM 989 OH TYR A 63 6.647 3.389 -16.554 1.00 0.00 O ATOM 0 H TYR A 63 2.948 7.465 -10.630 1.00 0.00 H new ATOM 0 HA TYR A 63 2.695 6.602 -13.448 1.00 0.00 H new ATOM 0 HB2 TYR A 63 4.320 5.434 -11.287 1.00 0.00 H new ATOM 0 HB3 TYR A 63 3.030 4.331 -11.721 1.00 0.00 H new ATOM 0 HD1 TYR A 63 2.764 3.804 -14.273 1.00 0.00 H new ATOM 0 HD2 TYR A 63 6.291 5.469 -12.553 1.00 0.00 H new ATOM 0 HE1 TYR A 63 4.117 3.014 -16.262 1.00 0.00 H new ATOM 0 HE2 TYR A 63 7.631 4.672 -14.549 1.00 0.00 H new ATOM 0 HH TYR A 63 7.585 3.649 -16.440 1.00 0.00 H new ATOM 999 N TRP A 64 1.140 5.745 -10.669 1.00 0.00 N ATOM 1000 CA TRP A 64 -0.161 5.397 -10.123 1.00 0.00 C ATOM 1001 C TRP A 64 -0.696 6.615 -9.365 1.00 0.00 C ATOM 1002 O TRP A 64 0.034 7.245 -8.602 1.00 0.00 O ATOM 1003 CB TRP A 64 -0.072 4.143 -9.251 1.00 0.00 C ATOM 1004 CG TRP A 64 0.586 2.949 -9.946 1.00 0.00 C ATOM 1005 CD1 TRP A 64 0.013 2.044 -10.751 1.00 0.00 C ATOM 1006 CD2 TRP A 64 1.975 2.564 -9.863 1.00 0.00 C ATOM 1007 NE1 TRP A 64 0.927 1.108 -11.191 1.00 0.00 N ATOM 1008 CE2 TRP A 64 2.157 1.435 -10.634 1.00 0.00 C ATOM 1009 CE3 TRP A 64 3.041 3.152 -9.161 1.00 0.00 C ATOM 1010 CZ2 TRP A 64 3.395 0.796 -10.776 1.00 0.00 C ATOM 1011 CZ3 TRP A 64 4.272 2.501 -9.312 1.00 0.00 C ATOM 1012 CH2 TRP A 64 4.471 1.363 -10.085 1.00 0.00 C ATOM 0 H TRP A 64 1.896 5.776 -9.985 1.00 0.00 H new ATOM 0 HA TRP A 64 -0.860 5.148 -10.921 1.00 0.00 H new ATOM 0 HB2 TRP A 64 0.490 4.380 -8.348 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -1.076 3.859 -8.936 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -1.033 2.047 -11.022 1.00 0.00 H new ATOM 0 HE1 TRP A 64 0.735 0.321 -11.811 1.00 0.00 H new ATOM 0 HE3 TRP A 64 2.921 4.036 -8.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 3.513 -0.087 -11.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 5.125 2.911 -8.792 1.00 0.00 H new ATOM 0 HH2 TRP A 64 5.453 0.918 -10.152 1.00 0.00 H new ATOM 1023 N CYS A 65 -1.966 6.908 -9.603 1.00 0.00 N ATOM 1024 CA CYS A 65 -2.607 8.039 -8.953 1.00 0.00 C ATOM 1025 C CYS A 65 -1.899 9.318 -9.404 1.00 0.00 C ATOM 1026 O CYS A 65 -0.670 9.382 -9.412 1.00 0.00 O ATOM 1027 CB CYS A 65 -2.603 7.891 -7.430 1.00 0.00 C ATOM 1028 SG CYS A 65 -1.256 8.789 -6.575 1.00 0.00 S ATOM 0 H CYS A 65 -2.568 6.382 -10.237 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.656 8.084 -9.246 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -3.559 8.243 -7.042 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -2.529 6.832 -7.182 1.00 0.00 H new ATOM 1033 N ASN A 66 -2.704 10.304 -9.771 1.00 0.00 N ATOM 1034 CA ASN A 66 -2.170 11.578 -10.223 1.00 0.00 C ATOM 1035 C ASN A 66 -3.262 12.645 -10.129 1.00 0.00 C ATOM 1036 O ASN A 66 -4.330 12.399 -9.571 1.00 0.00 O ATOM 1037 CB ASN A 66 -1.712 11.497 -11.680 1.00 0.00 C ATOM 1038 CG ASN A 66 -0.187 11.402 -11.770 1.00 0.00 C ATOM 1039 OD1 ASN A 66 0.375 10.391 -12.159 1.00 0.00 O ATOM 1040 ND2 ASN A 66 0.448 12.508 -11.392 1.00 0.00 N ATOM 0 H ASN A 66 -3.722 10.247 -9.765 1.00 0.00 H new ATOM 0 HA ASN A 66 -1.319 11.831 -9.591 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -2.163 10.628 -12.159 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -2.058 12.376 -12.223 1.00 0.00 H new ATOM 0 HD21 ASN A 66 1.467 12.545 -11.417 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -0.084 13.319 -11.077 1.00 0.00 H new ATOM 1047 N ASP A 67 -2.957 13.808 -10.686 1.00 0.00 N ATOM 1048 CA ASP A 67 -3.898 14.915 -10.673 1.00 0.00 C ATOM 1049 C ASP A 67 -3.594 15.823 -9.479 1.00 0.00 C ATOM 1050 O ASP A 67 -4.133 16.924 -9.380 1.00 0.00 O ATOM 1051 CB ASP A 67 -5.336 14.412 -10.530 1.00 0.00 C ATOM 1052 CG ASP A 67 -6.412 15.382 -11.023 1.00 0.00 C ATOM 1053 OD1 ASP A 67 -6.616 16.402 -10.331 1.00 0.00 O ATOM 1054 OD2 ASP A 67 -7.006 15.081 -12.080 1.00 0.00 O ATOM 0 H ASP A 67 -2.071 14.008 -11.150 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.796 15.456 -11.614 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.434 13.475 -11.079 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -5.524 14.188 -9.480 1.00 0.00 H new ATOM 1059 N GLY A 68 -2.735 15.327 -8.602 1.00 0.00 N ATOM 1060 CA GLY A 68 -2.353 16.080 -7.419 1.00 0.00 C ATOM 1061 C GLY A 68 -1.497 17.291 -7.793 1.00 0.00 C ATOM 1062 O GLY A 68 -1.114 18.076 -6.927 1.00 0.00 O ATOM 0 H GLY A 68 -2.292 14.412 -8.686 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -3.247 16.411 -6.890 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.799 15.435 -6.736 1.00 0.00 H new ATOM 1066 N LYS A 69 -1.221 17.406 -9.084 1.00 0.00 N ATOM 1067 CA LYS A 69 -0.417 18.508 -9.583 1.00 0.00 C ATOM 1068 C LYS A 69 -0.831 18.825 -11.022 1.00 0.00 C ATOM 1069 O LYS A 69 -1.404 19.880 -11.288 1.00 0.00 O ATOM 1070 CB LYS A 69 1.073 18.199 -9.426 1.00 0.00 C ATOM 1071 CG LYS A 69 1.683 19.008 -8.280 1.00 0.00 C ATOM 1072 CD LYS A 69 3.192 19.177 -8.470 1.00 0.00 C ATOM 1073 CE LYS A 69 3.763 20.176 -7.463 1.00 0.00 C ATOM 1074 NZ LYS A 69 3.545 21.564 -7.928 1.00 0.00 N ATOM 0 H LYS A 69 -1.540 16.753 -9.800 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.596 19.407 -8.994 1.00 0.00 H new ATOM 0 HB2 LYS A 69 1.209 17.134 -9.237 1.00 0.00 H new ATOM 0 HB3 LYS A 69 1.595 18.427 -10.355 1.00 0.00 H new ATOM 0 HG2 LYS A 69 1.208 19.987 -8.228 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.486 18.508 -7.332 1.00 0.00 H new ATOM 0 HD2 LYS A 69 3.687 18.213 -8.352 1.00 0.00 H new ATOM 0 HD3 LYS A 69 3.398 19.519 -9.484 1.00 0.00 H new ATOM 0 HE2 LYS A 69 3.289 20.033 -6.492 1.00 0.00 H new ATOM 0 HE3 LYS A 69 4.829 19.995 -7.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 3.939 22.229 -7.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.017 21.701 -8.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 2.525 21.738 -8.035 1.00 0.00 H new ATOM 1088 N THR A 70 -0.523 17.893 -11.912 1.00 0.00 N ATOM 1089 CA THR A 70 -0.856 18.059 -13.315 1.00 0.00 C ATOM 1090 C THR A 70 -1.104 16.699 -13.971 1.00 0.00 C ATOM 1091 O THR A 70 -0.366 15.745 -13.729 1.00 0.00 O ATOM 1092 CB THR A 70 0.271 18.856 -13.977 1.00 0.00 C ATOM 1093 OG1 THR A 70 -0.244 19.181 -15.266 1.00 0.00 O ATOM 1094 CG2 THR A 70 1.500 17.994 -14.274 1.00 0.00 C ATOM 0 H THR A 70 -0.046 17.020 -11.688 1.00 0.00 H new ATOM 0 HA THR A 70 -1.785 18.617 -13.437 1.00 0.00 H new ATOM 0 HB THR A 70 0.556 19.686 -13.331 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.422 19.700 -15.763 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.270 18.607 -14.743 1.00 0.00 H new ATOM 0 HG22 THR A 70 1.885 17.577 -13.344 1.00 0.00 H new ATOM 0 HG23 THR A 70 1.222 17.183 -14.947 1.00 0.00 H new ATOM 1102 N PRO A 71 -2.175 16.651 -14.808 1.00 0.00 N ATOM 1103 CA PRO A 71 -2.530 15.424 -15.499 1.00 0.00 C ATOM 1104 C PRO A 71 -1.568 15.148 -16.657 1.00 0.00 C ATOM 1105 O PRO A 71 -1.989 15.041 -17.808 1.00 0.00 O ATOM 1106 CB PRO A 71 -3.965 15.630 -15.956 1.00 0.00 C ATOM 1107 CG PRO A 71 -4.204 17.130 -15.914 1.00 0.00 C ATOM 1108 CD PRO A 71 -3.072 17.760 -15.119 1.00 0.00 C ATOM 0 HA PRO A 71 -2.452 14.545 -14.860 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -4.114 15.239 -16.962 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -4.662 15.105 -15.303 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.236 17.540 -16.923 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -5.165 17.351 -15.450 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -2.563 18.531 -15.698 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.443 18.236 -14.211 1.00 0.00 H new ATOM 1116 N ARG A 72 -0.292 15.040 -16.311 1.00 0.00 N ATOM 1117 CA ARG A 72 0.732 14.780 -17.307 1.00 0.00 C ATOM 1118 C ARG A 72 1.297 13.368 -17.132 1.00 0.00 C ATOM 1119 O ARG A 72 1.558 12.674 -18.113 1.00 0.00 O ATOM 1120 CB ARG A 72 1.873 15.794 -17.202 1.00 0.00 C ATOM 1121 CG ARG A 72 2.802 15.702 -18.414 1.00 0.00 C ATOM 1122 CD ARG A 72 4.263 15.893 -18.001 1.00 0.00 C ATOM 1123 NE ARG A 72 5.142 15.795 -19.189 1.00 0.00 N ATOM 1124 CZ ARG A 72 5.265 16.758 -20.113 1.00 0.00 C ATOM 1125 NH1 ARG A 72 4.567 17.895 -19.993 1.00 0.00 N ATOM 1126 NH2 ARG A 72 6.087 16.583 -21.157 1.00 0.00 N ATOM 0 H ARG A 72 0.054 15.128 -15.356 1.00 0.00 H new ATOM 0 HA ARG A 72 0.269 14.871 -18.290 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.463 16.801 -17.129 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.441 15.614 -16.289 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.681 14.732 -18.897 1.00 0.00 H new ATOM 0 HG3 ARG A 72 2.526 16.460 -19.147 1.00 0.00 H new ATOM 0 HD2 ARG A 72 4.390 16.864 -17.523 1.00 0.00 H new ATOM 0 HD3 ARG A 72 4.544 15.138 -17.267 1.00 0.00 H new ATOM 0 HE ARG A 72 5.687 14.942 -19.312 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.942 18.028 -19.198 1.00 0.00 H new ATOM 0 HH12 ARG A 72 4.661 18.628 -20.696 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.619 15.717 -21.248 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.181 17.316 -21.861 1.00 0.00 H new ATOM 1140 N ALA A 73 1.467 12.986 -15.874 1.00 0.00 N ATOM 1141 CA ALA A 73 1.995 11.670 -15.557 1.00 0.00 C ATOM 1142 C ALA A 73 1.172 10.606 -16.287 1.00 0.00 C ATOM 1143 O ALA A 73 0.296 10.933 -17.085 1.00 0.00 O ATOM 1144 CB ALA A 73 1.992 11.471 -14.040 1.00 0.00 C ATOM 0 H ALA A 73 1.248 13.565 -15.063 1.00 0.00 H new ATOM 0 HA ALA A 73 3.027 11.578 -15.896 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.388 10.484 -13.802 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.614 12.234 -13.572 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.972 11.553 -13.664 1.00 0.00 H new ATOM 1150 N VAL A 74 1.483 9.354 -15.986 1.00 0.00 N ATOM 1151 CA VAL A 74 0.784 8.240 -16.602 1.00 0.00 C ATOM 1152 C VAL A 74 0.030 7.456 -15.525 1.00 0.00 C ATOM 1153 O VAL A 74 0.435 6.355 -15.155 1.00 0.00 O ATOM 1154 CB VAL A 74 1.769 7.375 -17.391 1.00 0.00 C ATOM 1155 CG1 VAL A 74 2.936 6.930 -16.507 1.00 0.00 C ATOM 1156 CG2 VAL A 74 1.064 6.170 -18.014 1.00 0.00 C ATOM 0 H VAL A 74 2.210 9.087 -15.323 1.00 0.00 H new ATOM 0 HA VAL A 74 0.045 8.603 -17.317 1.00 0.00 H new ATOM 0 HB VAL A 74 2.173 7.982 -18.201 1.00 0.00 H new ATOM 0 HG11 VAL A 74 3.622 6.317 -17.091 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.463 7.807 -16.132 1.00 0.00 H new ATOM 0 HG13 VAL A 74 2.555 6.349 -15.667 1.00 0.00 H new ATOM 0 HG21 VAL A 74 1.787 5.572 -18.569 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.619 5.562 -17.227 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.283 6.516 -18.691 1.00 0.00 H new ATOM 1166 N ASN A 75 -1.052 8.056 -15.050 1.00 0.00 N ATOM 1167 CA ASN A 75 -1.865 7.429 -14.023 1.00 0.00 C ATOM 1168 C ASN A 75 -2.300 6.041 -14.500 1.00 0.00 C ATOM 1169 O ASN A 75 -3.238 5.918 -15.287 1.00 0.00 O ATOM 1170 CB ASN A 75 -3.126 8.248 -13.741 1.00 0.00 C ATOM 1171 CG ASN A 75 -3.824 8.645 -15.043 1.00 0.00 C ATOM 1172 OD1 ASN A 75 -3.525 8.146 -16.115 1.00 0.00 O ATOM 1173 ND2 ASN A 75 -4.770 9.568 -14.891 1.00 0.00 N ATOM 0 H ASN A 75 -1.384 8.970 -15.358 1.00 0.00 H new ATOM 0 HA ASN A 75 -1.267 7.363 -13.114 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -3.809 7.668 -13.120 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -2.864 9.143 -13.177 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -5.295 9.899 -15.701 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -4.971 9.945 -13.965 1.00 0.00 H new ATOM 1180 N ALA A 76 -1.600 5.033 -14.003 1.00 0.00 N ATOM 1181 CA ALA A 76 -1.903 3.660 -14.367 1.00 0.00 C ATOM 1182 C ALA A 76 -3.149 3.198 -13.611 1.00 0.00 C ATOM 1183 O ALA A 76 -3.805 2.238 -14.014 1.00 0.00 O ATOM 1184 CB ALA A 76 -0.686 2.775 -14.083 1.00 0.00 C ATOM 0 H ALA A 76 -0.823 5.140 -13.351 1.00 0.00 H new ATOM 0 HA ALA A 76 -2.119 3.585 -15.433 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.914 1.745 -14.356 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.164 3.126 -14.668 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.441 2.823 -13.022 1.00 0.00 H new ATOM 1190 N CYS A 77 -3.439 3.902 -12.527 1.00 0.00 N ATOM 1191 CA CYS A 77 -4.596 3.576 -11.710 1.00 0.00 C ATOM 1192 C CYS A 77 -5.786 4.394 -12.214 1.00 0.00 C ATOM 1193 O CYS A 77 -6.932 3.961 -12.107 1.00 0.00 O ATOM 1194 CB CYS A 77 -4.325 3.820 -10.224 1.00 0.00 C ATOM 1195 SG CYS A 77 -5.294 2.766 -9.085 1.00 0.00 S ATOM 0 H CYS A 77 -2.893 4.697 -12.195 1.00 0.00 H new ATOM 0 HA CYS A 77 -4.822 2.514 -11.802 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -3.264 3.660 -10.031 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -4.536 4.865 -9.997 1.00 0.00 H new ATOM 1200 N GLY A 78 -5.473 5.564 -12.754 1.00 0.00 N ATOM 1201 CA GLY A 78 -6.504 6.446 -13.276 1.00 0.00 C ATOM 1202 C GLY A 78 -7.408 6.956 -12.153 1.00 0.00 C ATOM 1203 O GLY A 78 -8.630 6.831 -12.231 1.00 0.00 O ATOM 0 H GLY A 78 -4.521 5.921 -12.841 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -6.041 7.290 -13.787 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -7.102 5.914 -14.016 1.00 0.00 H new ATOM 1207 N ILE A 79 -6.776 7.520 -11.136 1.00 0.00 N ATOM 1208 CA ILE A 79 -7.509 8.049 -9.998 1.00 0.00 C ATOM 1209 C ILE A 79 -6.726 9.213 -9.389 1.00 0.00 C ATOM 1210 O ILE A 79 -5.542 9.389 -9.678 1.00 0.00 O ATOM 1211 CB ILE A 79 -7.829 6.934 -9.001 1.00 0.00 C ATOM 1212 CG1 ILE A 79 -6.797 6.894 -7.873 1.00 0.00 C ATOM 1213 CG2 ILE A 79 -7.954 5.584 -9.710 1.00 0.00 C ATOM 1214 CD1 ILE A 79 -5.467 6.320 -8.365 1.00 0.00 C ATOM 0 H ILE A 79 -5.763 7.623 -11.075 1.00 0.00 H new ATOM 0 HA ILE A 79 -8.473 8.445 -10.317 1.00 0.00 H new ATOM 0 HB ILE A 79 -8.796 7.150 -8.546 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.641 7.900 -7.483 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.176 6.288 -7.050 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -8.182 4.809 -8.979 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -8.755 5.633 -10.448 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -7.015 5.347 -10.209 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -4.752 6.303 -7.543 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -5.622 5.305 -8.732 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -5.078 6.942 -9.171 1.00 0.00 H new ATOM 1226 N ASN A 80 -7.416 9.978 -8.556 1.00 0.00 N ATOM 1227 CA ASN A 80 -6.799 11.120 -7.902 1.00 0.00 C ATOM 1228 C ASN A 80 -6.091 10.654 -6.630 1.00 0.00 C ATOM 1229 O ASN A 80 -6.690 9.979 -5.793 1.00 0.00 O ATOM 1230 CB ASN A 80 -7.849 12.160 -7.505 1.00 0.00 C ATOM 1231 CG ASN A 80 -7.994 13.234 -8.585 1.00 0.00 C ATOM 1232 OD1 ASN A 80 -7.588 14.373 -8.423 1.00 0.00 O ATOM 1233 ND2 ASN A 80 -8.593 12.809 -9.694 1.00 0.00 N ATOM 0 H ASN A 80 -8.397 9.829 -8.319 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.093 11.568 -8.601 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.809 11.669 -7.344 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.566 12.625 -6.561 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -8.736 13.450 -10.474 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -8.909 11.842 -9.764 1.00 0.00 H new ATOM 1240 N CYS A 81 -4.825 11.031 -6.523 1.00 0.00 N ATOM 1241 CA CYS A 81 -4.029 10.658 -5.366 1.00 0.00 C ATOM 1242 C CYS A 81 -4.798 11.056 -4.105 1.00 0.00 C ATOM 1243 O CYS A 81 -4.678 10.404 -3.069 1.00 0.00 O ATOM 1244 CB CYS A 81 -2.637 11.294 -5.410 1.00 0.00 C ATOM 1245 SG CYS A 81 -1.589 10.752 -6.809 1.00 0.00 S ATOM 0 H CYS A 81 -4.331 11.591 -7.218 1.00 0.00 H new ATOM 0 HA CYS A 81 -3.866 9.580 -5.365 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -2.749 12.377 -5.457 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -2.120 11.067 -4.478 1.00 0.00 H new ATOM 1250 N SER A 82 -5.571 12.124 -4.234 1.00 0.00 N ATOM 1251 CA SER A 82 -6.360 12.616 -3.118 1.00 0.00 C ATOM 1252 C SER A 82 -7.212 11.485 -2.540 1.00 0.00 C ATOM 1253 O SER A 82 -7.413 11.411 -1.329 1.00 0.00 O ATOM 1254 CB SER A 82 -7.250 13.786 -3.546 1.00 0.00 C ATOM 1255 OG SER A 82 -8.380 13.350 -4.296 1.00 0.00 O ATOM 0 H SER A 82 -5.668 12.663 -5.095 1.00 0.00 H new ATOM 0 HA SER A 82 -5.677 12.976 -2.349 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.588 14.327 -2.662 1.00 0.00 H new ATOM 0 HB3 SER A 82 -6.666 14.486 -4.144 1.00 0.00 H new ATOM 0 HG SER A 82 -8.924 14.125 -4.549 1.00 0.00 H new ATOM 1261 N ALA A 83 -7.691 10.632 -3.434 1.00 0.00 N ATOM 1262 CA ALA A 83 -8.516 9.507 -3.028 1.00 0.00 C ATOM 1263 C ALA A 83 -7.717 8.610 -2.081 1.00 0.00 C ATOM 1264 O ALA A 83 -8.291 7.940 -1.223 1.00 0.00 O ATOM 1265 CB ALA A 83 -9.004 8.757 -4.269 1.00 0.00 C ATOM 0 H ALA A 83 -7.523 10.698 -4.438 1.00 0.00 H new ATOM 0 HA ALA A 83 -9.398 9.853 -2.489 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -9.623 7.913 -3.964 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -9.591 9.430 -4.894 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -8.146 8.392 -4.834 1.00 0.00 H new ATOM 1271 N LEU A 84 -6.406 8.624 -2.269 1.00 0.00 N ATOM 1272 CA LEU A 84 -5.522 7.819 -1.441 1.00 0.00 C ATOM 1273 C LEU A 84 -4.928 8.695 -0.336 1.00 0.00 C ATOM 1274 O LEU A 84 -4.005 8.277 0.362 1.00 0.00 O ATOM 1275 CB LEU A 84 -4.471 7.118 -2.304 1.00 0.00 C ATOM 1276 CG LEU A 84 -4.996 6.400 -3.549 1.00 0.00 C ATOM 1277 CD1 LEU A 84 -4.451 7.043 -4.825 1.00 0.00 C ATOM 1278 CD2 LEU A 84 -4.690 4.901 -3.487 1.00 0.00 C ATOM 0 H LEU A 84 -5.934 9.180 -2.982 1.00 0.00 H new ATOM 0 HA LEU A 84 -6.080 7.022 -0.950 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.736 7.858 -2.619 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.946 6.391 -1.684 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.080 6.508 -3.573 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.840 6.513 -5.694 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.761 8.087 -4.868 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.362 6.988 -4.824 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.074 4.414 -4.384 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.612 4.752 -3.426 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.166 4.468 -2.607 1.00 0.00 H new ATOM 1290 N LEU A 85 -5.480 9.893 -0.213 1.00 0.00 N ATOM 1291 CA LEU A 85 -5.015 10.830 0.794 1.00 0.00 C ATOM 1292 C LEU A 85 -6.140 11.093 1.798 1.00 0.00 C ATOM 1293 O LEU A 85 -6.190 12.155 2.417 1.00 0.00 O ATOM 1294 CB LEU A 85 -4.470 12.099 0.136 1.00 0.00 C ATOM 1295 CG LEU A 85 -3.721 13.065 1.056 1.00 0.00 C ATOM 1296 CD1 LEU A 85 -2.696 12.320 1.914 1.00 0.00 C ATOM 1297 CD2 LEU A 85 -3.081 14.200 0.255 1.00 0.00 C ATOM 0 H LEU A 85 -6.245 10.236 -0.794 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.181 10.405 1.352 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -3.800 11.806 -0.672 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -5.303 12.635 -0.319 1.00 0.00 H new ATOM 0 HG LEU A 85 -4.442 13.518 1.736 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.177 13.029 2.559 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.206 11.577 2.528 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.974 11.822 1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.555 14.872 0.933 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.375 13.785 -0.464 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.856 14.753 -0.275 1.00 0.00 H new ATOM 1309 N GLN A 86 -7.015 10.107 1.928 1.00 0.00 N ATOM 1310 CA GLN A 86 -8.137 10.218 2.846 1.00 0.00 C ATOM 1311 C GLN A 86 -8.048 9.137 3.925 1.00 0.00 C ATOM 1312 O GLN A 86 -7.016 8.485 4.073 1.00 0.00 O ATOM 1313 CB GLN A 86 -9.468 10.138 2.098 1.00 0.00 C ATOM 1314 CG GLN A 86 -9.778 8.699 1.681 1.00 0.00 C ATOM 1315 CD GLN A 86 -11.100 8.622 0.914 1.00 0.00 C ATOM 1316 OE1 GLN A 86 -11.143 8.649 -0.304 1.00 0.00 O ATOM 1317 NE2 GLN A 86 -12.172 8.526 1.695 1.00 0.00 N ATOM 0 H GLN A 86 -6.970 9.227 1.413 1.00 0.00 H new ATOM 0 HA GLN A 86 -8.089 11.193 3.331 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -10.269 10.517 2.733 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -9.432 10.776 1.215 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -8.970 8.315 1.059 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -9.829 8.064 2.565 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -12.064 8.509 2.709 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -13.102 8.470 1.280 1.00 0.00 H new ATOM 1326 N ASP A 87 -9.146 8.979 4.651 1.00 0.00 N ATOM 1327 CA ASP A 87 -9.205 7.988 5.712 1.00 0.00 C ATOM 1328 C ASP A 87 -9.428 6.604 5.099 1.00 0.00 C ATOM 1329 O ASP A 87 -8.572 5.728 5.207 1.00 0.00 O ATOM 1330 CB ASP A 87 -10.365 8.274 6.668 1.00 0.00 C ATOM 1331 CG ASP A 87 -10.855 7.066 7.469 1.00 0.00 C ATOM 1332 OD1 ASP A 87 -10.019 6.170 7.714 1.00 0.00 O ATOM 1333 OD2 ASP A 87 -12.056 7.066 7.818 1.00 0.00 O ATOM 0 H ASP A 87 -10.001 9.521 4.525 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.265 8.027 6.263 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -10.058 9.053 7.366 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -11.201 8.673 6.093 1.00 0.00 H new ATOM 1338 N ASP A 88 -10.583 6.450 4.468 1.00 0.00 N ATOM 1339 CA ASP A 88 -10.930 5.188 3.838 1.00 0.00 C ATOM 1340 C ASP A 88 -9.807 4.774 2.884 1.00 0.00 C ATOM 1341 O ASP A 88 -9.536 5.464 1.902 1.00 0.00 O ATOM 1342 CB ASP A 88 -12.218 5.314 3.024 1.00 0.00 C ATOM 1343 CG ASP A 88 -13.351 6.073 3.719 1.00 0.00 C ATOM 1344 OD1 ASP A 88 -13.460 5.922 4.956 1.00 0.00 O ATOM 1345 OD2 ASP A 88 -14.082 6.786 2.998 1.00 0.00 O ATOM 0 H ASP A 88 -11.291 7.179 4.380 1.00 0.00 H new ATOM 0 HA ASP A 88 -11.072 4.447 4.624 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -11.988 5.815 2.084 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.571 4.314 2.774 1.00 0.00 H new ATOM 1350 N ILE A 89 -9.184 3.650 3.207 1.00 0.00 N ATOM 1351 CA ILE A 89 -8.097 3.137 2.391 1.00 0.00 C ATOM 1352 C ILE A 89 -8.677 2.375 1.197 1.00 0.00 C ATOM 1353 O ILE A 89 -7.934 1.813 0.394 1.00 0.00 O ATOM 1354 CB ILE A 89 -7.135 2.304 3.243 1.00 0.00 C ATOM 1355 CG1 ILE A 89 -7.833 1.065 3.805 1.00 0.00 C ATOM 1356 CG2 ILE A 89 -6.502 3.155 4.344 1.00 0.00 C ATOM 1357 CD1 ILE A 89 -6.816 0.065 4.357 1.00 0.00 C ATOM 0 H ILE A 89 -9.411 3.081 4.022 1.00 0.00 H new ATOM 0 HA ILE A 89 -7.503 3.957 1.988 1.00 0.00 H new ATOM 0 HB ILE A 89 -6.326 1.954 2.602 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -8.524 1.360 4.595 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -8.426 0.591 3.023 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -5.823 2.540 4.935 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.947 3.978 3.894 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -7.284 3.555 4.990 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -7.339 -0.807 4.750 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -6.142 -0.246 3.559 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -6.241 0.534 5.156 1.00 0.00 H new ATOM 1369 N THR A 90 -10.000 2.381 1.117 1.00 0.00 N ATOM 1370 CA THR A 90 -10.688 1.698 0.036 1.00 0.00 C ATOM 1371 C THR A 90 -9.983 1.964 -1.296 1.00 0.00 C ATOM 1372 O THR A 90 -9.921 1.087 -2.157 1.00 0.00 O ATOM 1373 CB THR A 90 -12.151 2.147 0.047 1.00 0.00 C ATOM 1374 OG1 THR A 90 -12.747 1.416 -1.020 1.00 0.00 O ATOM 1375 CG2 THR A 90 -12.318 3.611 -0.363 1.00 0.00 C ATOM 0 H THR A 90 -10.613 2.849 1.784 1.00 0.00 H new ATOM 0 HA THR A 90 -10.663 0.617 0.173 1.00 0.00 H new ATOM 0 HB THR A 90 -12.568 2.001 1.044 1.00 0.00 H new ATOM 0 HG1 THR A 90 -13.698 1.646 -1.083 1.00 0.00 H new ATOM 0 HG21 THR A 90 -13.375 3.878 -0.338 1.00 0.00 H new ATOM 0 HG22 THR A 90 -11.767 4.248 0.329 1.00 0.00 H new ATOM 0 HG23 THR A 90 -11.932 3.753 -1.372 1.00 0.00 H new ATOM 1383 N ALA A 91 -9.467 3.178 -1.425 1.00 0.00 N ATOM 1384 CA ALA A 91 -8.769 3.570 -2.637 1.00 0.00 C ATOM 1385 C ALA A 91 -7.394 2.899 -2.668 1.00 0.00 C ATOM 1386 O ALA A 91 -6.959 2.416 -3.712 1.00 0.00 O ATOM 1387 CB ALA A 91 -8.674 5.095 -2.702 1.00 0.00 C ATOM 0 H ALA A 91 -9.519 3.903 -0.709 1.00 0.00 H new ATOM 0 HA ALA A 91 -9.318 3.240 -3.519 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -8.150 5.388 -3.612 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.677 5.522 -2.707 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.127 5.463 -1.834 1.00 0.00 H new ATOM 1393 N ALA A 92 -6.748 2.891 -1.511 1.00 0.00 N ATOM 1394 CA ALA A 92 -5.432 2.287 -1.392 1.00 0.00 C ATOM 1395 C ALA A 92 -5.521 0.804 -1.762 1.00 0.00 C ATOM 1396 O ALA A 92 -4.638 0.275 -2.435 1.00 0.00 O ATOM 1397 CB ALA A 92 -4.897 2.503 0.025 1.00 0.00 C ATOM 0 H ALA A 92 -7.112 3.293 -0.647 1.00 0.00 H new ATOM 0 HA ALA A 92 -4.730 2.757 -2.081 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.910 2.050 0.114 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -4.825 3.572 0.228 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.574 2.042 0.744 1.00 0.00 H new ATOM 1403 N ILE A 93 -6.595 0.177 -1.306 1.00 0.00 N ATOM 1404 CA ILE A 93 -6.810 -1.234 -1.580 1.00 0.00 C ATOM 1405 C ILE A 93 -7.194 -1.410 -3.051 1.00 0.00 C ATOM 1406 O ILE A 93 -6.608 -2.231 -3.754 1.00 0.00 O ATOM 1407 CB ILE A 93 -7.832 -1.820 -0.604 1.00 0.00 C ATOM 1408 CG1 ILE A 93 -7.544 -1.367 0.829 1.00 0.00 C ATOM 1409 CG2 ILE A 93 -7.893 -3.344 -0.722 1.00 0.00 C ATOM 1410 CD1 ILE A 93 -8.447 -2.096 1.826 1.00 0.00 C ATOM 0 H ILE A 93 -7.326 0.620 -0.749 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.891 -1.798 -1.419 1.00 0.00 H new ATOM 0 HB ILE A 93 -8.817 -1.437 -0.871 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -6.499 -1.559 1.072 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -7.698 -0.291 0.912 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -8.627 -3.734 -0.017 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -8.182 -3.619 -1.736 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.914 -3.766 -0.497 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -8.222 -1.756 2.837 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -9.491 -1.883 1.595 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -8.273 -3.170 1.757 1.00 0.00 H new ATOM 1422 N GLN A 94 -8.175 -0.626 -3.471 1.00 0.00 N ATOM 1423 CA GLN A 94 -8.643 -0.685 -4.846 1.00 0.00 C ATOM 1424 C GLN A 94 -7.484 -0.443 -5.813 1.00 0.00 C ATOM 1425 O GLN A 94 -7.336 -1.159 -6.802 1.00 0.00 O ATOM 1426 CB GLN A 94 -9.774 0.319 -5.083 1.00 0.00 C ATOM 1427 CG GLN A 94 -10.580 -0.050 -6.330 1.00 0.00 C ATOM 1428 CD GLN A 94 -9.990 0.608 -7.579 1.00 0.00 C ATOM 1429 OE1 GLN A 94 -8.791 0.798 -7.705 1.00 0.00 O ATOM 1430 NE2 GLN A 94 -10.896 0.945 -8.493 1.00 0.00 N ATOM 0 H GLN A 94 -8.659 0.054 -2.884 1.00 0.00 H new ATOM 0 HA GLN A 94 -9.041 -1.683 -5.031 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -10.432 0.343 -4.214 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -9.359 1.320 -5.197 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -10.588 -1.133 -6.455 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -11.616 0.264 -6.204 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -11.884 0.758 -8.325 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -10.602 1.391 -9.362 1.00 0.00 H new ATOM 1439 N CYS A 95 -6.689 0.568 -5.493 1.00 0.00 N ATOM 1440 CA CYS A 95 -5.546 0.914 -6.321 1.00 0.00 C ATOM 1441 C CYS A 95 -4.497 -0.191 -6.176 1.00 0.00 C ATOM 1442 O CYS A 95 -3.895 -0.614 -7.163 1.00 0.00 O ATOM 1443 CB CYS A 95 -4.981 2.289 -5.961 1.00 0.00 C ATOM 1444 SG CYS A 95 -4.197 3.185 -7.350 1.00 0.00 S ATOM 0 H CYS A 95 -6.814 1.159 -4.671 1.00 0.00 H new ATOM 0 HA CYS A 95 -5.857 0.985 -7.363 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -5.787 2.903 -5.560 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -4.246 2.167 -5.165 1.00 0.00 H new ATOM 1449 N ALA A 96 -4.309 -0.626 -4.940 1.00 0.00 N ATOM 1450 CA ALA A 96 -3.343 -1.673 -4.653 1.00 0.00 C ATOM 1451 C ALA A 96 -3.618 -2.876 -5.558 1.00 0.00 C ATOM 1452 O ALA A 96 -2.695 -3.436 -6.148 1.00 0.00 O ATOM 1453 CB ALA A 96 -3.406 -2.035 -3.168 1.00 0.00 C ATOM 0 H ALA A 96 -4.809 -0.273 -4.124 1.00 0.00 H new ATOM 0 HA ALA A 96 -2.330 -1.327 -4.861 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -2.681 -2.820 -2.954 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -3.175 -1.154 -2.569 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.407 -2.389 -2.922 1.00 0.00 H new ATOM 1459 N LYS A 97 -4.890 -3.237 -5.639 1.00 0.00 N ATOM 1460 CA LYS A 97 -5.298 -4.363 -6.462 1.00 0.00 C ATOM 1461 C LYS A 97 -5.168 -3.984 -7.938 1.00 0.00 C ATOM 1462 O LYS A 97 -4.655 -4.763 -8.741 1.00 0.00 O ATOM 1463 CB LYS A 97 -6.699 -4.834 -6.069 1.00 0.00 C ATOM 1464 CG LYS A 97 -7.729 -3.720 -6.270 1.00 0.00 C ATOM 1465 CD LYS A 97 -9.153 -4.255 -6.112 1.00 0.00 C ATOM 1466 CE LYS A 97 -9.917 -4.182 -7.435 1.00 0.00 C ATOM 1467 NZ LYS A 97 -10.598 -5.467 -7.711 1.00 0.00 N ATOM 0 H LYS A 97 -5.652 -2.769 -5.148 1.00 0.00 H new ATOM 0 HA LYS A 97 -4.641 -5.216 -6.293 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -6.976 -5.702 -6.667 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.701 -5.152 -5.026 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.554 -2.923 -5.547 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.609 -3.283 -7.261 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -9.121 -5.287 -5.763 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.680 -3.678 -5.352 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -10.650 -3.376 -7.395 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -9.229 -3.946 -8.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.112 -5.401 -8.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -9.892 -6.228 -7.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.269 -5.676 -6.944 1.00 0.00 H new ATOM 1481 N ARG A 98 -5.640 -2.786 -8.253 1.00 0.00 N ATOM 1482 CA ARG A 98 -5.584 -2.293 -9.618 1.00 0.00 C ATOM 1483 C ARG A 98 -4.130 -2.172 -10.079 1.00 0.00 C ATOM 1484 O ARG A 98 -3.851 -2.180 -11.277 1.00 0.00 O ATOM 1485 CB ARG A 98 -6.267 -0.931 -9.741 1.00 0.00 C ATOM 1486 CG ARG A 98 -6.390 -0.509 -11.206 1.00 0.00 C ATOM 1487 CD ARG A 98 -7.802 -0.005 -11.514 1.00 0.00 C ATOM 1488 NE ARG A 98 -8.253 -0.532 -12.822 1.00 0.00 N ATOM 1489 CZ ARG A 98 -9.512 -0.443 -13.275 1.00 0.00 C ATOM 1490 NH1 ARG A 98 -10.451 0.154 -12.528 1.00 0.00 N ATOM 1491 NH2 ARG A 98 -9.830 -0.950 -14.474 1.00 0.00 N ATOM 0 H ARG A 98 -6.063 -2.142 -7.585 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.111 -3.008 -10.250 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -7.257 -0.975 -9.287 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -5.696 -0.183 -9.190 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -5.664 0.274 -11.425 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -6.152 -1.353 -11.853 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -8.489 -0.321 -10.729 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -7.813 1.085 -11.528 1.00 0.00 H new ATOM 0 HE ARG A 98 -7.563 -0.992 -13.416 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -10.208 0.540 -11.616 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -11.409 0.222 -12.872 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -9.114 -1.404 -15.042 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -10.788 -0.882 -14.819 1.00 0.00 H new ATOM 1505 N VAL A 99 -3.241 -2.061 -9.102 1.00 0.00 N ATOM 1506 CA VAL A 99 -1.823 -1.937 -9.391 1.00 0.00 C ATOM 1507 C VAL A 99 -1.216 -3.332 -9.558 1.00 0.00 C ATOM 1508 O VAL A 99 -0.632 -3.639 -10.596 1.00 0.00 O ATOM 1509 CB VAL A 99 -1.135 -1.112 -8.301 1.00 0.00 C ATOM 1510 CG1 VAL A 99 0.386 -1.245 -8.391 1.00 0.00 C ATOM 1511 CG2 VAL A 99 -1.564 0.354 -8.370 1.00 0.00 C ATOM 0 H VAL A 99 -3.476 -2.054 -8.109 1.00 0.00 H new ATOM 0 HA VAL A 99 -1.671 -1.402 -10.328 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.448 -1.506 -7.334 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.850 -0.649 -7.605 1.00 0.00 H new ATOM 0 HG12 VAL A 99 0.668 -2.291 -8.268 1.00 0.00 H new ATOM 0 HG13 VAL A 99 0.725 -0.890 -9.364 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.061 0.918 -7.585 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -1.295 0.767 -9.342 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -2.643 0.424 -8.232 1.00 0.00 H new ATOM 1521 N VAL A 100 -1.377 -4.139 -8.520 1.00 0.00 N ATOM 1522 CA VAL A 100 -0.853 -5.495 -8.539 1.00 0.00 C ATOM 1523 C VAL A 100 -1.411 -6.236 -9.754 1.00 0.00 C ATOM 1524 O VAL A 100 -0.749 -7.110 -10.311 1.00 0.00 O ATOM 1525 CB VAL A 100 -1.168 -6.195 -7.215 1.00 0.00 C ATOM 1526 CG1 VAL A 100 -2.438 -7.040 -7.330 1.00 0.00 C ATOM 1527 CG2 VAL A 100 0.016 -7.045 -6.750 1.00 0.00 C ATOM 0 H VAL A 100 -1.862 -3.881 -7.661 1.00 0.00 H new ATOM 0 HA VAL A 100 0.233 -5.484 -8.636 1.00 0.00 H new ATOM 0 HB VAL A 100 -1.345 -5.426 -6.463 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -2.639 -7.526 -6.376 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.279 -6.399 -7.595 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.302 -7.798 -8.102 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.234 -7.532 -5.807 1.00 0.00 H new ATOM 0 HG22 VAL A 100 0.238 -7.802 -7.502 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.889 -6.407 -6.609 1.00 0.00 H new ATOM 1537 N ARG A 101 -2.624 -5.860 -10.132 1.00 0.00 N ATOM 1538 CA ARG A 101 -3.279 -6.479 -11.272 1.00 0.00 C ATOM 1539 C ARG A 101 -2.351 -6.466 -12.488 1.00 0.00 C ATOM 1540 O ARG A 101 -2.474 -7.307 -13.377 1.00 0.00 O ATOM 1541 CB ARG A 101 -4.578 -5.751 -11.622 1.00 0.00 C ATOM 1542 CG ARG A 101 -5.418 -6.571 -12.604 1.00 0.00 C ATOM 1543 CD ARG A 101 -5.671 -5.790 -13.895 1.00 0.00 C ATOM 1544 NE ARG A 101 -7.011 -6.117 -14.431 1.00 0.00 N ATOM 1545 CZ ARG A 101 -7.358 -7.322 -14.903 1.00 0.00 C ATOM 1546 NH1 ARG A 101 -6.466 -8.322 -14.909 1.00 0.00 N ATOM 1547 NH2 ARG A 101 -8.598 -7.527 -15.369 1.00 0.00 N ATOM 0 H ARG A 101 -3.171 -5.134 -9.669 1.00 0.00 H new ATOM 0 HA ARG A 101 -3.514 -7.508 -11.001 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -5.151 -5.566 -10.714 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -4.348 -4.779 -12.058 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -4.906 -7.505 -12.834 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -6.369 -6.835 -12.142 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -5.599 -4.720 -13.702 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -4.906 -6.033 -14.633 1.00 0.00 H new ATOM 0 HE ARG A 101 -7.715 -5.379 -14.442 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -5.523 -8.166 -14.554 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -6.731 -9.239 -15.268 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -9.277 -6.766 -15.364 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -8.863 -8.444 -15.728 1.00 0.00 H new ATOM 1561 N ASP A 102 -1.442 -5.502 -12.488 1.00 0.00 N ATOM 1562 CA ASP A 102 -0.493 -5.369 -13.581 1.00 0.00 C ATOM 1563 C ASP A 102 0.533 -6.502 -13.501 1.00 0.00 C ATOM 1564 O ASP A 102 0.495 -7.314 -12.579 1.00 0.00 O ATOM 1565 CB ASP A 102 0.262 -4.041 -13.496 1.00 0.00 C ATOM 1566 CG ASP A 102 0.066 -3.108 -14.693 1.00 0.00 C ATOM 1567 OD1 ASP A 102 -0.900 -3.350 -15.449 1.00 0.00 O ATOM 1568 OD2 ASP A 102 0.886 -2.174 -14.824 1.00 0.00 O ATOM 0 H ASP A 102 -1.342 -4.806 -11.749 1.00 0.00 H new ATOM 0 HA ASP A 102 -1.049 -5.408 -14.517 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -0.052 -3.519 -12.592 1.00 0.00 H new ATOM 0 HB3 ASP A 102 1.326 -4.251 -13.389 1.00 0.00 H new ATOM 1573 N PRO A 103 1.449 -6.519 -14.506 1.00 0.00 N ATOM 1574 CA PRO A 103 2.483 -7.539 -14.559 1.00 0.00 C ATOM 1575 C PRO A 103 3.575 -7.266 -13.522 1.00 0.00 C ATOM 1576 O PRO A 103 4.541 -8.020 -13.420 1.00 0.00 O ATOM 1577 CB PRO A 103 2.999 -7.503 -15.988 1.00 0.00 C ATOM 1578 CG PRO A 103 2.566 -6.160 -16.554 1.00 0.00 C ATOM 1579 CD PRO A 103 1.524 -5.573 -15.616 1.00 0.00 C ATOM 0 HA PRO A 103 2.108 -8.532 -14.310 1.00 0.00 H new ATOM 0 HB2 PRO A 103 4.084 -7.606 -16.014 1.00 0.00 H new ATOM 0 HB3 PRO A 103 2.586 -8.325 -16.573 1.00 0.00 H new ATOM 0 HG2 PRO A 103 3.421 -5.490 -16.642 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.152 -6.283 -17.555 1.00 0.00 H new ATOM 0 HD2 PRO A 103 1.816 -4.581 -15.272 1.00 0.00 H new ATOM 0 HD3 PRO A 103 0.559 -5.467 -16.112 1.00 0.00 H new ATOM 1587 N GLN A 104 3.384 -6.186 -12.779 1.00 0.00 N ATOM 1588 CA GLN A 104 4.340 -5.804 -11.754 1.00 0.00 C ATOM 1589 C GLN A 104 4.361 -6.847 -10.633 1.00 0.00 C ATOM 1590 O GLN A 104 5.390 -7.472 -10.383 1.00 0.00 O ATOM 1591 CB GLN A 104 4.026 -4.413 -11.202 1.00 0.00 C ATOM 1592 CG GLN A 104 3.900 -3.390 -12.333 1.00 0.00 C ATOM 1593 CD GLN A 104 5.188 -2.579 -12.486 1.00 0.00 C ATOM 1594 OE1 GLN A 104 6.268 -3.003 -12.105 1.00 0.00 O ATOM 1595 NE2 GLN A 104 5.016 -1.392 -13.062 1.00 0.00 N ATOM 0 H GLN A 104 2.581 -5.563 -12.867 1.00 0.00 H new ATOM 0 HA GLN A 104 5.331 -5.764 -12.206 1.00 0.00 H new ATOM 0 HB2 GLN A 104 3.098 -4.445 -10.631 1.00 0.00 H new ATOM 0 HB3 GLN A 104 4.813 -4.105 -10.514 1.00 0.00 H new ATOM 0 HG2 GLN A 104 3.676 -3.903 -13.268 1.00 0.00 H new ATOM 0 HG3 GLN A 104 3.066 -2.719 -12.130 1.00 0.00 H new ATOM 0 HE21 GLN A 104 4.085 -1.099 -13.357 1.00 0.00 H new ATOM 0 HE22 GLN A 104 5.815 -0.775 -13.208 1.00 0.00 H new ATOM 1604 N GLY A 105 3.214 -7.000 -9.990 1.00 0.00 N ATOM 1605 CA GLY A 105 3.088 -7.955 -8.902 1.00 0.00 C ATOM 1606 C GLY A 105 3.744 -7.423 -7.627 1.00 0.00 C ATOM 1607 O GLY A 105 4.581 -6.524 -7.683 1.00 0.00 O ATOM 0 H GLY A 105 2.363 -6.479 -10.201 1.00 0.00 H new ATOM 0 HA2 GLY A 105 2.034 -8.161 -8.714 1.00 0.00 H new ATOM 0 HA3 GLY A 105 3.552 -8.899 -9.187 1.00 0.00 H new ATOM 1611 N ILE A 106 3.339 -8.001 -6.505 1.00 0.00 N ATOM 1612 CA ILE A 106 3.876 -7.597 -5.218 1.00 0.00 C ATOM 1613 C ILE A 106 5.377 -7.332 -5.358 1.00 0.00 C ATOM 1614 O ILE A 106 5.934 -6.504 -4.639 1.00 0.00 O ATOM 1615 CB ILE A 106 3.532 -8.631 -4.144 1.00 0.00 C ATOM 1616 CG1 ILE A 106 2.211 -8.285 -3.453 1.00 0.00 C ATOM 1617 CG2 ILE A 106 4.680 -8.785 -3.144 1.00 0.00 C ATOM 1618 CD1 ILE A 106 2.365 -7.049 -2.565 1.00 0.00 C ATOM 0 H ILE A 106 2.644 -8.747 -6.462 1.00 0.00 H new ATOM 0 HA ILE A 106 3.416 -6.665 -4.889 1.00 0.00 H new ATOM 0 HB ILE A 106 3.397 -9.597 -4.630 1.00 0.00 H new ATOM 0 HG12 ILE A 106 1.440 -8.105 -4.203 1.00 0.00 H new ATOM 0 HG13 ILE A 106 1.879 -9.131 -2.851 1.00 0.00 H new ATOM 0 HG21 ILE A 106 4.410 -9.526 -2.391 1.00 0.00 H new ATOM 0 HG22 ILE A 106 5.578 -9.111 -3.668 1.00 0.00 H new ATOM 0 HG23 ILE A 106 4.871 -7.828 -2.659 1.00 0.00 H new ATOM 0 HD11 ILE A 106 1.412 -6.824 -2.086 1.00 0.00 H new ATOM 0 HD12 ILE A 106 3.119 -7.241 -1.802 1.00 0.00 H new ATOM 0 HD13 ILE A 106 2.674 -6.199 -3.174 1.00 0.00 H new ATOM 1630 N ARG A 107 5.988 -8.050 -6.288 1.00 0.00 N ATOM 1631 CA ARG A 107 7.413 -7.904 -6.532 1.00 0.00 C ATOM 1632 C ARG A 107 7.807 -6.426 -6.496 1.00 0.00 C ATOM 1633 O ARG A 107 8.874 -6.076 -5.995 1.00 0.00 O ATOM 1634 CB ARG A 107 7.805 -8.498 -7.886 1.00 0.00 C ATOM 1635 CG ARG A 107 9.259 -8.973 -7.876 1.00 0.00 C ATOM 1636 CD ARG A 107 10.062 -8.303 -8.993 1.00 0.00 C ATOM 1637 NE ARG A 107 10.269 -6.872 -8.679 1.00 0.00 N ATOM 1638 CZ ARG A 107 11.220 -6.111 -9.235 1.00 0.00 C ATOM 1639 NH1 ARG A 107 12.060 -6.639 -10.137 1.00 0.00 N ATOM 1640 NH2 ARG A 107 11.334 -4.821 -8.891 1.00 0.00 N ATOM 0 H ARG A 107 5.522 -8.735 -6.882 1.00 0.00 H new ATOM 0 HA ARG A 107 7.942 -8.444 -5.747 1.00 0.00 H new ATOM 0 HB2 ARG A 107 7.147 -9.334 -8.125 1.00 0.00 H new ATOM 0 HB3 ARG A 107 7.668 -7.751 -8.668 1.00 0.00 H new ATOM 0 HG2 ARG A 107 9.713 -8.747 -6.911 1.00 0.00 H new ATOM 0 HG3 ARG A 107 9.293 -10.056 -7.998 1.00 0.00 H new ATOM 0 HD2 ARG A 107 11.024 -8.801 -9.109 1.00 0.00 H new ATOM 0 HD3 ARG A 107 9.535 -8.403 -9.942 1.00 0.00 H new ATOM 0 HE ARG A 107 9.648 -6.438 -7.996 1.00 0.00 H new ATOM 0 HH11 ARG A 107 11.975 -7.621 -10.400 1.00 0.00 H new ATOM 0 HH12 ARG A 107 12.784 -6.059 -10.560 1.00 0.00 H new ATOM 0 HH21 ARG A 107 10.696 -4.418 -8.205 1.00 0.00 H new ATOM 0 HH22 ARG A 107 12.059 -4.242 -9.315 1.00 0.00 H new ATOM 1654 N ALA A 108 6.926 -5.598 -7.038 1.00 0.00 N ATOM 1655 CA ALA A 108 7.168 -4.166 -7.075 1.00 0.00 C ATOM 1656 C ALA A 108 7.770 -3.720 -5.740 1.00 0.00 C ATOM 1657 O ALA A 108 8.645 -2.856 -5.707 1.00 0.00 O ATOM 1658 CB ALA A 108 5.865 -3.435 -7.401 1.00 0.00 C ATOM 0 H ALA A 108 6.043 -5.892 -7.455 1.00 0.00 H new ATOM 0 HA ALA A 108 7.884 -3.918 -7.859 1.00 0.00 H new ATOM 0 HB1 ALA A 108 6.048 -2.361 -7.429 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.496 -3.765 -8.372 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.122 -3.657 -6.635 1.00 0.00 H new ATOM 1664 N TRP A 109 7.274 -4.328 -4.672 1.00 0.00 N ATOM 1665 CA TRP A 109 7.751 -4.004 -3.339 1.00 0.00 C ATOM 1666 C TRP A 109 8.891 -4.965 -2.997 1.00 0.00 C ATOM 1667 O TRP A 109 8.837 -5.665 -1.988 1.00 0.00 O ATOM 1668 CB TRP A 109 6.608 -4.048 -2.323 1.00 0.00 C ATOM 1669 CG TRP A 109 5.559 -2.951 -2.517 1.00 0.00 C ATOM 1670 CD1 TRP A 109 5.556 -1.712 -2.007 1.00 0.00 C ATOM 1671 CD2 TRP A 109 4.352 -3.046 -3.303 1.00 0.00 C ATOM 1672 NE1 TRP A 109 4.440 -1.004 -2.405 1.00 0.00 N ATOM 1673 CE2 TRP A 109 3.685 -1.841 -3.218 1.00 0.00 C ATOM 1674 CE3 TRP A 109 3.841 -4.114 -4.061 1.00 0.00 C ATOM 1675 CZ2 TRP A 109 2.469 -1.591 -3.866 1.00 0.00 C ATOM 1676 CZ3 TRP A 109 2.626 -3.847 -4.703 1.00 0.00 C ATOM 1677 CH2 TRP A 109 1.941 -2.640 -4.627 1.00 0.00 C ATOM 0 H TRP A 109 6.547 -5.043 -4.703 1.00 0.00 H new ATOM 0 HA TRP A 109 8.134 -2.984 -3.304 1.00 0.00 H new ATOM 0 HB2 TRP A 109 6.118 -5.020 -2.385 1.00 0.00 H new ATOM 0 HB3 TRP A 109 7.025 -3.964 -1.319 1.00 0.00 H new ATOM 0 HD1 TRP A 109 6.330 -1.317 -1.365 1.00 0.00 H new ATOM 0 HE1 TRP A 109 4.211 -0.043 -2.149 1.00 0.00 H new ATOM 0 HE3 TRP A 109 4.346 -5.065 -4.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 1.965 -0.639 -3.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 2.190 -4.635 -5.300 1.00 0.00 H new ATOM 0 HH2 TRP A 109 1.006 -2.512 -5.153 1.00 0.00 H new ATOM 1688 N VAL A 110 9.897 -4.969 -3.860 1.00 0.00 N ATOM 1689 CA VAL A 110 11.048 -5.833 -3.662 1.00 0.00 C ATOM 1690 C VAL A 110 11.334 -5.961 -2.165 1.00 0.00 C ATOM 1691 O VAL A 110 11.723 -7.028 -1.693 1.00 0.00 O ATOM 1692 CB VAL A 110 12.244 -5.301 -4.455 1.00 0.00 C ATOM 1693 CG1 VAL A 110 12.529 -3.840 -4.102 1.00 0.00 C ATOM 1694 CG2 VAL A 110 13.483 -6.171 -4.230 1.00 0.00 C ATOM 0 H VAL A 110 9.938 -4.388 -4.697 1.00 0.00 H new ATOM 0 HA VAL A 110 10.843 -6.834 -4.040 1.00 0.00 H new ATOM 0 HB VAL A 110 11.991 -5.347 -5.514 1.00 0.00 H new ATOM 0 HG11 VAL A 110 13.383 -3.486 -4.679 1.00 0.00 H new ATOM 0 HG12 VAL A 110 11.655 -3.232 -4.337 1.00 0.00 H new ATOM 0 HG13 VAL A 110 12.752 -3.760 -3.038 1.00 0.00 H new ATOM 0 HG21 VAL A 110 14.318 -5.771 -4.805 1.00 0.00 H new ATOM 0 HG22 VAL A 110 13.739 -6.172 -3.171 1.00 0.00 H new ATOM 0 HG23 VAL A 110 13.275 -7.191 -4.554 1.00 0.00 H new ATOM 1704 N ALA A 111 11.129 -4.859 -1.460 1.00 0.00 N ATOM 1705 CA ALA A 111 11.360 -4.835 -0.025 1.00 0.00 C ATOM 1706 C ALA A 111 10.820 -6.124 0.596 1.00 0.00 C ATOM 1707 O ALA A 111 11.556 -6.856 1.255 1.00 0.00 O ATOM 1708 CB ALA A 111 10.715 -3.583 0.575 1.00 0.00 C ATOM 0 H ALA A 111 10.806 -3.976 -1.855 1.00 0.00 H new ATOM 0 HA ALA A 111 12.427 -4.788 0.191 1.00 0.00 H new ATOM 0 HB1 ALA A 111 10.888 -3.565 1.651 1.00 0.00 H new ATOM 0 HB2 ALA A 111 11.154 -2.694 0.122 1.00 0.00 H new ATOM 0 HB3 ALA A 111 9.643 -3.597 0.380 1.00 0.00 H new ATOM 1714 N TRP A 112 9.537 -6.362 0.364 1.00 0.00 N ATOM 1715 CA TRP A 112 8.888 -7.551 0.893 1.00 0.00 C ATOM 1716 C TRP A 112 9.741 -8.762 0.513 1.00 0.00 C ATOM 1717 O TRP A 112 10.193 -9.504 1.384 1.00 0.00 O ATOM 1718 CB TRP A 112 7.445 -7.655 0.395 1.00 0.00 C ATOM 1719 CG TRP A 112 6.845 -9.057 0.518 1.00 0.00 C ATOM 1720 CD1 TRP A 112 7.438 -10.172 0.967 1.00 0.00 C ATOM 1721 CD2 TRP A 112 5.501 -9.450 0.168 1.00 0.00 C ATOM 1722 NE1 TRP A 112 6.578 -11.251 0.932 1.00 0.00 N ATOM 1723 CE2 TRP A 112 5.363 -10.798 0.431 1.00 0.00 C ATOM 1724 CE3 TRP A 112 4.438 -8.692 -0.352 1.00 0.00 C ATOM 1725 CZ2 TRP A 112 4.176 -11.506 0.205 1.00 0.00 C ATOM 1726 CZ3 TRP A 112 3.258 -9.414 -0.573 1.00 0.00 C ATOM 1727 CH2 TRP A 112 3.103 -10.771 -0.314 1.00 0.00 C ATOM 0 H TRP A 112 8.929 -5.752 -0.183 1.00 0.00 H new ATOM 0 HA TRP A 112 8.817 -7.502 1.980 1.00 0.00 H new ATOM 0 HB2 TRP A 112 6.826 -6.955 0.957 1.00 0.00 H new ATOM 0 HB3 TRP A 112 7.408 -7.345 -0.649 1.00 0.00 H new ATOM 0 HD1 TRP A 112 8.460 -10.220 1.313 1.00 0.00 H new ATOM 0 HE1 TRP A 112 6.794 -12.205 1.221 1.00 0.00 H new ATOM 0 HE3 TRP A 112 4.524 -7.637 -0.564 1.00 0.00 H new ATOM 0 HZ2 TRP A 112 4.093 -12.561 0.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 112 2.409 -8.879 -0.973 1.00 0.00 H new ATOM 0 HH2 TRP A 112 2.159 -11.256 -0.512 1.00 0.00 H new ATOM 1738 N ARG A 113 9.936 -8.925 -0.787 1.00 0.00 N ATOM 1739 CA ARG A 113 10.727 -10.034 -1.292 1.00 0.00 C ATOM 1740 C ARG A 113 12.065 -10.110 -0.556 1.00 0.00 C ATOM 1741 O ARG A 113 12.735 -11.142 -0.582 1.00 0.00 O ATOM 1742 CB ARG A 113 10.985 -9.889 -2.793 1.00 0.00 C ATOM 1743 CG ARG A 113 11.478 -11.206 -3.395 1.00 0.00 C ATOM 1744 CD ARG A 113 12.463 -10.952 -4.538 1.00 0.00 C ATOM 1745 NE ARG A 113 13.639 -11.839 -4.398 1.00 0.00 N ATOM 1746 CZ ARG A 113 13.612 -13.161 -4.615 1.00 0.00 C ATOM 1747 NH1 ARG A 113 12.469 -13.756 -4.984 1.00 0.00 N ATOM 1748 NH2 ARG A 113 14.728 -13.888 -4.465 1.00 0.00 N ATOM 0 H ARG A 113 9.560 -8.307 -1.506 1.00 0.00 H new ATOM 0 HA ARG A 113 10.161 -10.950 -1.120 1.00 0.00 H new ATOM 0 HB2 ARG A 113 10.069 -9.576 -3.294 1.00 0.00 H new ATOM 0 HB3 ARG A 113 11.725 -9.107 -2.964 1.00 0.00 H new ATOM 0 HG2 ARG A 113 11.959 -11.806 -2.622 1.00 0.00 H new ATOM 0 HG3 ARG A 113 10.629 -11.782 -3.763 1.00 0.00 H new ATOM 0 HD2 ARG A 113 11.975 -11.130 -5.496 1.00 0.00 H new ATOM 0 HD3 ARG A 113 12.780 -9.909 -4.531 1.00 0.00 H new ATOM 0 HE ARG A 113 14.525 -11.418 -4.119 1.00 0.00 H new ATOM 0 HH11 ARG A 113 11.620 -13.202 -5.100 1.00 0.00 H new ATOM 0 HH12 ARG A 113 12.448 -14.762 -5.149 1.00 0.00 H new ATOM 0 HH21 ARG A 113 15.598 -13.435 -4.186 1.00 0.00 H new ATOM 0 HH22 ARG A 113 14.707 -14.894 -4.630 1.00 0.00 H new ATOM 1762 N ALA A 114 12.417 -9.003 0.083 1.00 0.00 N ATOM 1763 CA ALA A 114 13.664 -8.932 0.824 1.00 0.00 C ATOM 1764 C ALA A 114 13.384 -8.410 2.236 1.00 0.00 C ATOM 1765 O ALA A 114 14.199 -7.689 2.807 1.00 0.00 O ATOM 1766 CB ALA A 114 14.660 -8.053 0.065 1.00 0.00 C ATOM 0 H ALA A 114 11.860 -8.149 0.102 1.00 0.00 H new ATOM 0 HA ALA A 114 14.110 -9.922 0.920 1.00 0.00 H new ATOM 0 HB1 ALA A 114 15.596 -8.000 0.621 1.00 0.00 H new ATOM 0 HB2 ALA A 114 14.847 -8.482 -0.920 1.00 0.00 H new ATOM 0 HB3 ALA A 114 14.248 -7.050 -0.048 1.00 0.00 H new ATOM 1772 N HIS A 115 12.228 -8.794 2.756 1.00 0.00 N ATOM 1773 CA HIS A 115 11.830 -8.375 4.088 1.00 0.00 C ATOM 1774 C HIS A 115 10.922 -9.436 4.711 1.00 0.00 C ATOM 1775 O HIS A 115 11.193 -9.926 5.806 1.00 0.00 O ATOM 1776 CB HIS A 115 11.183 -6.988 4.050 1.00 0.00 C ATOM 1777 CG HIS A 115 11.280 -6.229 5.352 1.00 0.00 C ATOM 1778 ND1 HIS A 115 10.168 -5.788 6.047 1.00 0.00 N ATOM 1779 CD2 HIS A 115 12.368 -5.840 6.078 1.00 0.00 C ATOM 1780 CE1 HIS A 115 10.579 -5.161 7.140 1.00 0.00 C ATOM 1781 NE2 HIS A 115 11.942 -5.195 7.157 1.00 0.00 N ATOM 0 H HIS A 115 11.554 -9.392 2.278 1.00 0.00 H new ATOM 0 HA HIS A 115 12.711 -8.284 4.723 1.00 0.00 H new ATOM 0 HB2 HIS A 115 11.654 -6.400 3.263 1.00 0.00 H new ATOM 0 HB3 HIS A 115 10.132 -7.096 3.782 1.00 0.00 H new ATOM 0 HD2 HIS A 115 13.400 -6.025 5.819 1.00 0.00 H new ATOM 0 HE1 HIS A 115 9.946 -4.704 7.886 1.00 0.00 H new ATOM 0 HE2 HIS A 115 12.537 -4.791 7.880 1.00 0.00 H new ATOM 1790 N CYS A 116 9.861 -9.760 3.987 1.00 0.00 N ATOM 1791 CA CYS A 116 8.911 -10.755 4.455 1.00 0.00 C ATOM 1792 C CYS A 116 9.399 -12.134 4.008 1.00 0.00 C ATOM 1793 O CYS A 116 9.454 -13.066 4.808 1.00 0.00 O ATOM 1794 CB CYS A 116 7.494 -10.462 3.956 1.00 0.00 C ATOM 1795 SG CYS A 116 6.301 -9.994 5.263 1.00 0.00 S ATOM 0 H CYS A 116 9.638 -9.351 3.080 1.00 0.00 H new ATOM 0 HA CYS A 116 8.857 -10.726 5.543 1.00 0.00 H new ATOM 0 HB2 CYS A 116 7.542 -9.657 3.222 1.00 0.00 H new ATOM 0 HB3 CYS A 116 7.117 -11.344 3.438 1.00 0.00 H new ATOM 1800 N GLN A 117 9.743 -12.220 2.731 1.00 0.00 N ATOM 1801 CA GLN A 117 10.225 -13.469 2.169 1.00 0.00 C ATOM 1802 C GLN A 117 11.609 -13.804 2.728 1.00 0.00 C ATOM 1803 O GLN A 117 12.565 -13.967 1.972 1.00 0.00 O ATOM 1804 CB GLN A 117 10.252 -13.408 0.640 1.00 0.00 C ATOM 1805 CG GLN A 117 9.176 -14.314 0.036 1.00 0.00 C ATOM 1806 CD GLN A 117 9.267 -14.328 -1.491 1.00 0.00 C ATOM 1807 OE1 GLN A 117 8.452 -13.751 -2.193 1.00 0.00 O ATOM 1808 NE2 GLN A 117 10.299 -15.020 -1.966 1.00 0.00 N ATOM 0 H GLN A 117 9.697 -11.444 2.070 1.00 0.00 H new ATOM 0 HA GLN A 117 9.536 -14.263 2.457 1.00 0.00 H new ATOM 0 HB2 GLN A 117 10.095 -12.381 0.311 1.00 0.00 H new ATOM 0 HB3 GLN A 117 11.234 -13.712 0.278 1.00 0.00 H new ATOM 0 HG2 GLN A 117 9.291 -15.328 0.420 1.00 0.00 H new ATOM 0 HG3 GLN A 117 8.189 -13.967 0.342 1.00 0.00 H new ATOM 0 HE21 GLN A 117 10.944 -15.479 -1.323 1.00 0.00 H new ATOM 0 HE22 GLN A 117 10.445 -15.091 -2.973 1.00 0.00 H new ATOM 1817 N ASN A 118 11.672 -13.897 4.048 1.00 0.00 N ATOM 1818 CA ASN A 118 12.923 -14.209 4.717 1.00 0.00 C ATOM 1819 C ASN A 118 12.631 -15.012 5.986 1.00 0.00 C ATOM 1820 O ASN A 118 13.174 -16.099 6.177 1.00 0.00 O ATOM 1821 CB ASN A 118 13.663 -12.933 5.126 1.00 0.00 C ATOM 1822 CG ASN A 118 15.174 -13.094 4.948 1.00 0.00 C ATOM 1823 OD1 ASN A 118 15.680 -14.168 4.662 1.00 0.00 O ATOM 1824 ND2 ASN A 118 15.864 -11.973 5.132 1.00 0.00 N ATOM 0 H ASN A 118 10.877 -13.762 4.672 1.00 0.00 H new ATOM 0 HA ASN A 118 13.542 -14.779 4.024 1.00 0.00 H new ATOM 0 HB2 ASN A 118 13.310 -12.095 4.525 1.00 0.00 H new ATOM 0 HB3 ASN A 118 13.439 -12.696 6.166 1.00 0.00 H new ATOM 0 HD21 ASN A 118 16.879 -11.977 5.036 1.00 0.00 H new ATOM 0 HD22 ASN A 118 15.378 -11.108 5.370 1.00 0.00 H new ATOM 1831 N ARG A 119 11.773 -14.445 6.823 1.00 0.00 N ATOM 1832 CA ARG A 119 11.402 -15.094 8.069 1.00 0.00 C ATOM 1833 C ARG A 119 9.881 -15.215 8.172 1.00 0.00 C ATOM 1834 O ARG A 119 9.166 -14.954 7.205 1.00 0.00 O ATOM 1835 CB ARG A 119 11.928 -14.314 9.275 1.00 0.00 C ATOM 1836 CG ARG A 119 12.305 -15.259 10.417 1.00 0.00 C ATOM 1837 CD ARG A 119 11.727 -14.770 11.747 1.00 0.00 C ATOM 1838 NE ARG A 119 12.488 -15.356 12.875 1.00 0.00 N ATOM 1839 CZ ARG A 119 12.075 -15.335 14.150 1.00 0.00 C ATOM 1840 NH1 ARG A 119 10.908 -14.759 14.467 1.00 0.00 N ATOM 1841 NH2 ARG A 119 12.830 -15.891 15.107 1.00 0.00 N ATOM 0 H ARG A 119 11.324 -13.543 6.662 1.00 0.00 H new ATOM 0 HA ARG A 119 11.850 -16.088 8.071 1.00 0.00 H new ATOM 0 HB2 ARG A 119 12.798 -13.727 8.982 1.00 0.00 H new ATOM 0 HB3 ARG A 119 11.169 -13.610 9.616 1.00 0.00 H new ATOM 0 HG2 ARG A 119 11.934 -16.261 10.202 1.00 0.00 H new ATOM 0 HG3 ARG A 119 13.390 -15.330 10.492 1.00 0.00 H new ATOM 0 HD2 ARG A 119 11.771 -13.682 11.794 1.00 0.00 H new ATOM 0 HD3 ARG A 119 10.676 -15.050 11.822 1.00 0.00 H new ATOM 0 HE ARG A 119 13.381 -15.803 12.669 1.00 0.00 H new ATOM 0 HH11 ARG A 119 10.333 -14.336 13.738 1.00 0.00 H new ATOM 0 HH12 ARG A 119 10.594 -14.743 15.437 1.00 0.00 H new ATOM 0 HH21 ARG A 119 13.718 -16.330 14.865 1.00 0.00 H new ATOM 0 HH22 ARG A 119 12.516 -15.875 16.077 1.00 0.00 H new ATOM 1855 N ASP A 120 9.429 -15.610 9.353 1.00 0.00 N ATOM 1856 CA ASP A 120 8.005 -15.768 9.595 1.00 0.00 C ATOM 1857 C ASP A 120 7.456 -14.491 10.234 1.00 0.00 C ATOM 1858 O ASP A 120 7.608 -14.279 11.436 1.00 0.00 O ATOM 1859 CB ASP A 120 7.735 -16.930 10.552 1.00 0.00 C ATOM 1860 CG ASP A 120 6.282 -17.408 10.597 1.00 0.00 C ATOM 1861 OD1 ASP A 120 5.547 -17.080 9.640 1.00 0.00 O ATOM 1862 OD2 ASP A 120 5.938 -18.090 11.586 1.00 0.00 O ATOM 0 H ASP A 120 10.024 -15.825 10.153 1.00 0.00 H new ATOM 0 HA ASP A 120 7.520 -15.968 8.639 1.00 0.00 H new ATOM 0 HB2 ASP A 120 8.369 -17.770 10.268 1.00 0.00 H new ATOM 0 HB3 ASP A 120 8.034 -16.631 11.556 1.00 0.00 H new ATOM 1867 N LEU A 121 6.828 -13.673 9.402 1.00 0.00 N ATOM 1868 CA LEU A 121 6.255 -12.423 9.870 1.00 0.00 C ATOM 1869 C LEU A 121 4.745 -12.592 10.044 1.00 0.00 C ATOM 1870 O LEU A 121 4.003 -11.610 10.051 1.00 0.00 O ATOM 1871 CB LEU A 121 6.643 -11.274 8.938 1.00 0.00 C ATOM 1872 CG LEU A 121 6.483 -9.863 9.509 1.00 0.00 C ATOM 1873 CD1 LEU A 121 6.951 -9.805 10.964 1.00 0.00 C ATOM 1874 CD2 LEU A 121 7.199 -8.833 8.634 1.00 0.00 C ATOM 0 H LEU A 121 6.704 -13.852 8.406 1.00 0.00 H new ATOM 0 HA LEU A 121 6.660 -12.160 10.847 1.00 0.00 H new ATOM 0 HB2 LEU A 121 7.683 -11.409 8.641 1.00 0.00 H new ATOM 0 HB3 LEU A 121 6.041 -11.348 8.032 1.00 0.00 H new ATOM 0 HG LEU A 121 5.423 -9.609 9.502 1.00 0.00 H new ATOM 0 HD11 LEU A 121 6.827 -8.792 11.346 1.00 0.00 H new ATOM 0 HD12 LEU A 121 6.358 -10.495 11.565 1.00 0.00 H new ATOM 0 HD13 LEU A 121 8.002 -10.087 11.020 1.00 0.00 H new ATOM 0 HD21 LEU A 121 7.070 -7.839 9.062 1.00 0.00 H new ATOM 0 HD22 LEU A 121 8.261 -9.072 8.586 1.00 0.00 H new ATOM 0 HD23 LEU A 121 6.777 -8.853 7.629 1.00 0.00 H new ATOM 1886 N SER A 122 4.334 -13.844 10.178 1.00 0.00 N ATOM 1887 CA SER A 122 2.924 -14.154 10.351 1.00 0.00 C ATOM 1888 C SER A 122 2.470 -13.761 11.757 1.00 0.00 C ATOM 1889 O SER A 122 1.301 -13.441 11.969 1.00 0.00 O ATOM 1890 CB SER A 122 2.652 -15.639 10.102 1.00 0.00 C ATOM 1891 OG SER A 122 2.568 -15.941 8.711 1.00 0.00 O ATOM 0 H SER A 122 4.952 -14.656 10.170 1.00 0.00 H new ATOM 0 HA SER A 122 2.356 -13.580 9.619 1.00 0.00 H new ATOM 0 HB2 SER A 122 3.445 -16.234 10.555 1.00 0.00 H new ATOM 0 HB3 SER A 122 1.721 -15.924 10.592 1.00 0.00 H new ATOM 0 HG SER A 122 2.395 -16.899 8.594 1.00 0.00 H new ATOM 1897 N GLN A 123 3.418 -13.796 12.682 1.00 0.00 N ATOM 1898 CA GLN A 123 3.130 -13.447 14.063 1.00 0.00 C ATOM 1899 C GLN A 123 2.802 -11.957 14.177 1.00 0.00 C ATOM 1900 O GLN A 123 2.336 -11.498 15.217 1.00 0.00 O ATOM 1901 CB GLN A 123 4.296 -13.824 14.979 1.00 0.00 C ATOM 1902 CG GLN A 123 3.943 -13.579 16.447 1.00 0.00 C ATOM 1903 CD GLN A 123 4.962 -14.243 17.375 1.00 0.00 C ATOM 1904 OE1 GLN A 123 5.902 -13.626 17.849 1.00 0.00 O ATOM 1905 NE2 GLN A 123 4.725 -15.530 17.607 1.00 0.00 N ATOM 0 H GLN A 123 4.386 -14.061 12.502 1.00 0.00 H new ATOM 0 HA GLN A 123 2.259 -14.016 14.387 1.00 0.00 H new ATOM 0 HB2 GLN A 123 4.553 -14.873 14.833 1.00 0.00 H new ATOM 0 HB3 GLN A 123 5.177 -13.240 14.711 1.00 0.00 H new ATOM 0 HG2 GLN A 123 3.912 -12.507 16.643 1.00 0.00 H new ATOM 0 HG3 GLN A 123 2.947 -13.970 16.655 1.00 0.00 H new ATOM 0 HE21 GLN A 123 3.919 -15.986 17.178 1.00 0.00 H new ATOM 0 HE22 GLN A 123 5.349 -16.062 18.214 1.00 0.00 H new ATOM 1914 N TYR A 124 3.059 -11.243 13.090 1.00 0.00 N ATOM 1915 CA TYR A 124 2.797 -9.814 13.055 1.00 0.00 C ATOM 1916 C TYR A 124 1.303 -9.535 12.881 1.00 0.00 C ATOM 1917 O TYR A 124 0.810 -8.492 13.306 1.00 0.00 O ATOM 1918 CB TYR A 124 3.550 -9.278 11.835 1.00 0.00 C ATOM 1919 CG TYR A 124 4.233 -7.929 12.069 1.00 0.00 C ATOM 1920 CD1 TYR A 124 5.392 -7.863 12.816 1.00 0.00 C ATOM 1921 CD2 TYR A 124 3.691 -6.779 11.534 1.00 0.00 C ATOM 1922 CE1 TYR A 124 6.036 -6.594 13.036 1.00 0.00 C ATOM 1923 CE2 TYR A 124 4.335 -5.510 11.753 1.00 0.00 C ATOM 1924 CZ TYR A 124 5.476 -5.480 12.494 1.00 0.00 C ATOM 1925 OH TYR A 124 6.083 -4.281 12.702 1.00 0.00 O ATOM 0 H TYR A 124 3.446 -11.627 12.228 1.00 0.00 H new ATOM 0 HA TYR A 124 3.116 -9.342 13.984 1.00 0.00 H new ATOM 0 HB2 TYR A 124 4.302 -10.008 11.536 1.00 0.00 H new ATOM 0 HB3 TYR A 124 2.852 -9.181 11.004 1.00 0.00 H new ATOM 0 HD1 TYR A 124 5.816 -8.763 13.236 1.00 0.00 H new ATOM 0 HD2 TYR A 124 2.783 -6.830 10.951 1.00 0.00 H new ATOM 0 HE1 TYR A 124 6.943 -6.529 13.618 1.00 0.00 H new ATOM 0 HE2 TYR A 124 3.922 -4.602 11.339 1.00 0.00 H new ATOM 0 HH TYR A 124 5.572 -3.574 12.255 1.00 0.00 H new ATOM 1935 N ILE A 125 0.626 -10.486 12.255 1.00 0.00 N ATOM 1936 CA ILE A 125 -0.803 -10.355 12.019 1.00 0.00 C ATOM 1937 C ILE A 125 -1.550 -11.402 12.848 1.00 0.00 C ATOM 1938 O ILE A 125 -2.666 -11.157 13.303 1.00 0.00 O ATOM 1939 CB ILE A 125 -1.108 -10.424 10.522 1.00 0.00 C ATOM 1940 CG1 ILE A 125 -0.806 -11.817 9.964 1.00 0.00 C ATOM 1941 CG2 ILE A 125 -0.361 -9.327 9.760 1.00 0.00 C ATOM 1942 CD1 ILE A 125 -2.096 -12.546 9.584 1.00 0.00 C ATOM 0 H ILE A 125 1.039 -11.350 11.904 1.00 0.00 H new ATOM 0 HA ILE A 125 -1.155 -9.377 12.347 1.00 0.00 H new ATOM 0 HB ILE A 125 -2.174 -10.246 10.382 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -0.162 -11.731 9.089 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -0.260 -12.399 10.706 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -0.595 -9.398 8.698 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -0.668 -8.350 10.135 1.00 0.00 H new ATOM 0 HG23 ILE A 125 0.712 -9.450 9.904 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -1.854 -13.533 9.190 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -2.727 -12.652 10.466 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -2.628 -11.973 8.824 1.00 0.00 H new ATOM 1954 N ARG A 126 -0.904 -12.547 13.018 1.00 0.00 N ATOM 1955 CA ARG A 126 -1.493 -13.632 13.784 1.00 0.00 C ATOM 1956 C ARG A 126 -1.399 -13.337 15.282 1.00 0.00 C ATOM 1957 O ARG A 126 -0.303 -13.189 15.821 1.00 0.00 O ATOM 1958 CB ARG A 126 -0.793 -14.958 13.486 1.00 0.00 C ATOM 1959 CG ARG A 126 -1.580 -16.136 14.067 1.00 0.00 C ATOM 1960 CD ARG A 126 -2.982 -16.210 13.461 1.00 0.00 C ATOM 1961 NE ARG A 126 -3.254 -17.582 12.978 1.00 0.00 N ATOM 1962 CZ ARG A 126 -2.751 -18.092 11.845 1.00 0.00 C ATOM 1963 NH1 ARG A 126 -1.949 -17.348 11.072 1.00 0.00 N ATOM 1964 NH2 ARG A 126 -3.051 -19.347 11.485 1.00 0.00 N ATOM 0 H ARG A 126 0.021 -12.746 12.638 1.00 0.00 H new ATOM 0 HA ARG A 126 -2.540 -13.714 13.493 1.00 0.00 H new ATOM 0 HB2 ARG A 126 -0.687 -15.083 12.408 1.00 0.00 H new ATOM 0 HB3 ARG A 126 0.213 -14.945 13.906 1.00 0.00 H new ATOM 0 HG2 ARG A 126 -1.046 -17.066 13.872 1.00 0.00 H new ATOM 0 HG3 ARG A 126 -1.653 -16.031 15.149 1.00 0.00 H new ATOM 0 HD2 ARG A 126 -3.724 -15.924 14.206 1.00 0.00 H new ATOM 0 HD3 ARG A 126 -3.069 -15.502 12.637 1.00 0.00 H new ATOM 0 HE ARG A 126 -3.862 -18.176 13.542 1.00 0.00 H new ATOM 0 HH11 ARG A 126 -1.720 -16.392 11.345 1.00 0.00 H new ATOM 0 HH12 ARG A 126 -1.567 -17.737 10.210 1.00 0.00 H new ATOM 0 HH21 ARG A 126 -3.662 -19.914 12.073 1.00 0.00 H new ATOM 0 HH22 ARG A 126 -2.669 -19.736 10.623 1.00 0.00 H new ATOM 1978 N ASN A 127 -2.562 -13.259 15.912 1.00 0.00 N ATOM 1979 CA ASN A 127 -2.625 -12.984 17.337 1.00 0.00 C ATOM 1980 C ASN A 127 -2.456 -11.482 17.571 1.00 0.00 C ATOM 1981 O ASN A 127 -1.996 -11.062 18.631 1.00 0.00 O ATOM 1982 CB ASN A 127 -1.503 -13.707 18.087 1.00 0.00 C ATOM 1983 CG ASN A 127 -1.857 -13.883 19.565 1.00 0.00 C ATOM 1984 OD1 ASN A 127 -1.406 -13.149 20.429 1.00 0.00 O ATOM 1985 ND2 ASN A 127 -2.688 -14.892 19.806 1.00 0.00 N ATOM 0 H ASN A 127 -3.469 -13.382 15.461 1.00 0.00 H new ATOM 0 HA ASN A 127 -3.590 -13.333 17.705 1.00 0.00 H new ATOM 0 HB2 ASN A 127 -1.327 -14.682 17.633 1.00 0.00 H new ATOM 0 HB3 ASN A 127 -0.576 -13.141 17.996 1.00 0.00 H new ATOM 0 HD21 ASN A 127 -2.986 -15.091 20.761 1.00 0.00 H new ATOM 0 HD22 ASN A 127 -3.028 -15.468 19.036 1.00 0.00 H new ATOM 1992 N CYS A 128 -2.840 -10.712 16.562 1.00 0.00 N ATOM 1993 CA CYS A 128 -2.737 -9.265 16.644 1.00 0.00 C ATOM 1994 C CYS A 128 -3.978 -8.736 17.367 1.00 0.00 C ATOM 1995 O CYS A 128 -3.926 -7.688 18.010 1.00 0.00 O ATOM 1996 CB CYS A 128 -2.570 -8.630 15.262 1.00 0.00 C ATOM 1997 SG CYS A 128 -1.326 -7.291 15.178 1.00 0.00 S ATOM 0 H CYS A 128 -3.223 -11.063 15.684 1.00 0.00 H new ATOM 0 HA CYS A 128 -1.844 -8.993 17.207 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -2.294 -9.409 14.551 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -3.533 -8.233 14.941 1.00 0.00 H new ATOM 2002 N GLY A 129 -5.063 -9.484 17.239 1.00 0.00 N ATOM 2003 CA GLY A 129 -6.314 -9.104 17.874 1.00 0.00 C ATOM 2004 C GLY A 129 -7.379 -8.769 16.828 1.00 0.00 C ATOM 2005 O GLY A 129 -8.202 -7.880 17.037 1.00 0.00 O ATOM 0 H GLY A 129 -5.102 -10.352 16.705 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -6.666 -9.917 18.509 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -6.151 -8.242 18.521 1.00 0.00 H new ATOM 2009 N VAL A 130 -7.329 -9.500 15.723 1.00 0.00 N ATOM 2010 CA VAL A 130 -8.279 -9.292 14.644 1.00 0.00 C ATOM 2011 C VAL A 130 -9.504 -10.181 14.871 1.00 0.00 C ATOM 2012 O VAL A 130 -10.634 -9.696 14.883 1.00 0.00 O ATOM 2013 CB VAL A 130 -7.602 -9.540 13.295 1.00 0.00 C ATOM 2014 CG1 VAL A 130 -8.639 -9.738 12.188 1.00 0.00 C ATOM 2015 CG2 VAL A 130 -6.639 -8.403 12.948 1.00 0.00 C ATOM 0 H VAL A 130 -6.645 -10.237 15.552 1.00 0.00 H new ATOM 0 HA VAL A 130 -8.625 -8.258 14.633 1.00 0.00 H new ATOM 0 HB VAL A 130 -7.021 -10.458 13.376 1.00 0.00 H new ATOM 0 HG11 VAL A 130 -8.130 -9.912 11.240 1.00 0.00 H new ATOM 0 HG12 VAL A 130 -9.266 -10.597 12.427 1.00 0.00 H new ATOM 0 HG13 VAL A 130 -9.260 -8.846 12.108 1.00 0.00 H new ATOM 0 HG21 VAL A 130 -6.171 -8.604 11.984 1.00 0.00 H new ATOM 0 HG22 VAL A 130 -7.189 -7.464 12.895 1.00 0.00 H new ATOM 0 HG23 VAL A 130 -5.870 -8.330 13.717 1.00 0.00 H new TER 2025 VAL A 130