USER MOD reduce.3.24.130724 H: found=0, std=0, add=798, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 796 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 99 ASN : amide:sc= 0.378 K(o=0.72,f=-5.6!) USER MOD Set 1.2: A 101 THR OG1 : rot -2:sc= 0.343 USER MOD Set 2.1: A 91 LYS NZ :NH3+ -172:sc= -0.154 (180deg=-0.263) USER MOD Set 2.2: A 95 TYR OH : rot -128:sc= 0.943 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 ASN : amide:sc= -0.0705 X(o=-0.07,f=-0.0055) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.159 K(o=-0.16,f=-0.71) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN : amide:sc= 0.552 K(o=0.55,f=-3.1!) USER MOD Single : A 45 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc=-0.00203 USER MOD Single : A 50 GLN : amide:sc= 0.949 K(o=0.95,f=-0.14) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= -0.129 X(o=-0.13,f=-0.44) USER MOD Single : A 57 CYS SG : rot 180:sc= 0.00873 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 138:sc= -0.608 (180deg=-2.28!) USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 102 MET CE :methyl 179:sc= -0.646 (180deg=-0.65) USER MOD Single : A 117 CYS SG : rot 180:sc=-0.000441 USER MOD Single : A 119 ASN : amide:sc= 0.583 K(o=0.58,f=0) USER MOD Single : A 121 THR OG1 : rot -24:sc= 0.7 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0.00125 USER MOD Single : A 127 SER OG : rot 180:sc= -0.0235 USER MOD Single : A 129 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 134 THR OG1 : rot -59:sc= 1.09 USER MOD ----------------------------------------------------------------- ATOM 34 N HIS A 3 1.427 7.366 50.775 1.00 62.42 N ATOM 35 CA HIS A 3 2.199 6.190 50.410 1.00 14.33 C ATOM 36 C HIS A 3 3.675 6.400 50.765 1.00 62.23 C ATOM 37 O HIS A 3 4.496 6.681 49.893 1.00 51.14 O ATOM 38 CB HIS A 3 1.980 5.885 48.922 1.00 41.34 C ATOM 39 CG HIS A 3 2.677 4.630 48.467 1.00 24.44 C ATOM 40 ND1 HIS A 3 3.745 4.648 47.583 1.00 51.30 N ATOM 41 CD2 HIS A 3 2.492 3.305 48.784 1.00 11.30 C ATOM 42 CE1 HIS A 3 4.146 3.377 47.415 1.00 25.44 C ATOM 43 NE2 HIS A 3 3.423 2.508 48.125 1.00 43.30 N ATOM 0 HA HIS A 3 1.863 5.321 50.976 1.00 14.33 H new ATOM 0 HB2 HIS A 3 0.911 5.790 48.730 1.00 41.34 H new ATOM 0 HB3 HIS A 3 2.336 6.727 48.328 1.00 41.34 H new ATOM 0 HD2 HIS A 3 1.729 2.934 49.452 1.00 11.30 H new ATOM 0 HE1 HIS A 3 4.966 3.089 46.774 1.00 25.44 H new ATOM 0 HE2 HIS A 3 3.529 1.495 48.173 1.00 43.30 H new ATOM 51 N ASN A 4 3.989 6.236 52.057 1.00 22.21 N ATOM 52 CA ASN A 4 5.316 6.351 52.659 1.00 74.24 C ATOM 53 C ASN A 4 5.752 7.813 52.794 1.00 72.45 C ATOM 54 O ASN A 4 5.298 8.683 52.052 1.00 12.34 O ATOM 55 CB ASN A 4 6.375 5.512 51.922 1.00 74.22 C ATOM 56 CG ASN A 4 5.925 4.070 51.688 1.00 72.33 C ATOM 57 OD1 ASN A 4 6.023 3.233 52.582 1.00 14.52 O ATOM 58 ND2 ASN A 4 5.434 3.776 50.482 1.00 22.05 N ATOM 0 H ASN A 4 3.276 6.005 52.749 1.00 22.21 H new ATOM 0 HA ASN A 4 5.235 5.937 53.664 1.00 74.24 H new ATOM 0 HB2 ASN A 4 6.600 5.979 50.963 1.00 74.22 H new ATOM 0 HB3 ASN A 4 7.299 5.511 52.500 1.00 74.22 H new ATOM 0 HD21 ASN A 4 5.123 2.827 50.275 1.00 22.05 H new ATOM 0 HD22 ASN A 4 5.370 4.501 49.767 1.00 22.05 H new ATOM 65 N SER A 5 6.641 8.078 53.760 1.00 61.44 N ATOM 66 CA SER A 5 7.180 9.407 54.022 1.00 71.22 C ATOM 67 C SER A 5 8.084 9.864 52.874 1.00 22.35 C ATOM 68 O SER A 5 8.663 9.037 52.169 1.00 13.31 O ATOM 69 CB SER A 5 7.963 9.388 55.339 1.00 75.25 C ATOM 70 OG SER A 5 7.133 8.936 56.389 1.00 43.31 O ATOM 0 H SER A 5 7.007 7.361 54.387 1.00 61.44 H new ATOM 0 HA SER A 5 6.354 10.113 54.101 1.00 71.22 H new ATOM 0 HB2 SER A 5 8.832 8.737 55.245 1.00 75.25 H new ATOM 0 HB3 SER A 5 8.336 10.387 55.564 1.00 75.25 H new ATOM 0 HG SER A 5 7.642 8.925 57.227 1.00 43.31 H new ATOM 76 N ILE A 6 8.214 11.186 52.706 1.00 30.10 N ATOM 77 CA ILE A 6 9.073 11.816 51.710 1.00 43.53 C ATOM 78 C ILE A 6 9.857 12.967 52.347 1.00 13.05 C ATOM 79 O ILE A 6 9.488 13.469 53.409 1.00 21.11 O ATOM 80 CB ILE A 6 8.251 12.286 50.495 1.00 23.51 C ATOM 81 CG1 ILE A 6 7.051 13.150 50.920 1.00 23.53 C ATOM 82 CG2 ILE A 6 7.791 11.075 49.670 1.00 74.31 C ATOM 83 CD1 ILE A 6 6.478 13.965 49.758 1.00 45.53 C ATOM 0 H ILE A 6 7.708 11.861 53.278 1.00 30.10 H new ATOM 0 HA ILE A 6 9.791 11.081 51.345 1.00 43.53 H new ATOM 0 HB ILE A 6 8.893 12.911 49.874 1.00 23.51 H new ATOM 0 HG12 ILE A 6 6.271 12.508 51.329 1.00 23.53 H new ATOM 0 HG13 ILE A 6 7.358 13.826 51.718 1.00 23.53 H new ATOM 0 HG21 ILE A 6 7.211 11.418 48.813 1.00 74.31 H new ATOM 0 HG22 ILE A 6 8.662 10.521 49.320 1.00 74.31 H new ATOM 0 HG23 ILE A 6 7.173 10.426 50.290 1.00 74.31 H new ATOM 0 HD11 ILE A 6 5.634 14.557 50.111 1.00 45.53 H new ATOM 0 HD12 ILE A 6 7.248 14.629 49.365 1.00 45.53 H new ATOM 0 HD13 ILE A 6 6.144 13.290 48.970 1.00 45.53 H new ATOM 95 N ARG A 7 10.954 13.368 51.692 1.00 43.32 N ATOM 96 CA ARG A 7 11.903 14.355 52.193 1.00 42.05 C ATOM 97 C ARG A 7 11.373 15.763 51.899 1.00 35.32 C ATOM 98 O ARG A 7 11.932 16.497 51.087 1.00 14.22 O ATOM 99 CB ARG A 7 13.286 14.075 51.571 1.00 61.33 C ATOM 100 CG ARG A 7 14.492 14.507 52.421 1.00 23.13 C ATOM 101 CD ARG A 7 14.654 16.018 52.646 1.00 34.02 C ATOM 102 NE ARG A 7 13.752 16.546 53.682 1.00 60.43 N ATOM 103 CZ ARG A 7 13.887 16.358 55.007 1.00 20.42 C ATOM 104 NH1 ARG A 7 14.908 15.648 55.508 1.00 53.45 N ATOM 105 NH2 ARG A 7 12.982 16.888 55.839 1.00 2.35 N ATOM 0 H ARG A 7 11.208 13.001 50.775 1.00 43.32 H new ATOM 0 HA ARG A 7 12.018 14.286 53.275 1.00 42.05 H new ATOM 0 HB2 ARG A 7 13.367 13.006 51.373 1.00 61.33 H new ATOM 0 HB3 ARG A 7 13.342 14.582 50.608 1.00 61.33 H new ATOM 0 HG2 ARG A 7 14.417 14.021 53.394 1.00 23.13 H new ATOM 0 HG3 ARG A 7 15.398 14.132 51.946 1.00 23.13 H new ATOM 0 HD2 ARG A 7 15.685 16.229 52.928 1.00 34.02 H new ATOM 0 HD3 ARG A 7 14.467 16.541 51.708 1.00 34.02 H new ATOM 0 HE ARG A 7 12.956 17.102 53.368 1.00 60.43 H new ATOM 0 HH11 ARG A 7 15.601 15.239 54.881 1.00 53.45 H new ATOM 0 HH12 ARG A 7 14.992 15.517 56.516 1.00 53.45 H new ATOM 0 HH21 ARG A 7 12.201 17.428 55.466 1.00 2.35 H new ATOM 0 HH22 ARG A 7 13.074 16.752 56.846 1.00 2.35 H new ATOM 119 N SER A 8 10.287 16.140 52.581 1.00 1.22 N ATOM 120 CA SER A 8 9.675 17.455 52.453 1.00 65.41 C ATOM 121 C SER A 8 10.621 18.525 53.002 1.00 23.34 C ATOM 122 O SER A 8 11.325 18.282 53.982 1.00 64.42 O ATOM 123 CB SER A 8 8.337 17.474 53.203 1.00 10.51 C ATOM 124 OG SER A 8 7.500 16.430 52.750 1.00 44.02 O ATOM 0 H SER A 8 9.807 15.530 53.243 1.00 1.22 H new ATOM 0 HA SER A 8 9.488 17.670 51.401 1.00 65.41 H new ATOM 0 HB2 SER A 8 8.512 17.369 54.274 1.00 10.51 H new ATOM 0 HB3 SER A 8 7.843 18.434 53.054 1.00 10.51 H new ATOM 0 HG SER A 8 6.651 16.455 53.240 1.00 44.02 H new ATOM 130 N GLY A 9 10.642 19.704 52.369 1.00 53.13 N ATOM 131 CA GLY A 9 11.481 20.822 52.775 1.00 4.13 C ATOM 132 C GLY A 9 12.888 20.720 52.183 1.00 0.35 C ATOM 133 O GLY A 9 13.377 19.627 51.895 1.00 63.33 O ATOM 0 H GLY A 9 10.067 19.904 51.551 1.00 53.13 H new ATOM 0 HA2 GLY A 9 11.020 21.757 52.457 1.00 4.13 H new ATOM 0 HA3 GLY A 9 11.545 20.852 53.863 1.00 4.13 H new ATOM 137 N HIS A 10 13.532 21.878 52.000 1.00 1.41 N ATOM 138 CA HIS A 10 14.855 21.997 51.402 1.00 32.05 C ATOM 139 C HIS A 10 15.944 21.549 52.380 1.00 1.34 C ATOM 140 O HIS A 10 15.737 21.546 53.593 1.00 24.32 O ATOM 141 CB HIS A 10 15.097 23.454 50.988 1.00 20.13 C ATOM 142 CG HIS A 10 14.032 24.016 50.080 1.00 11.15 C ATOM 143 ND1 HIS A 10 13.193 25.050 50.466 1.00 21.24 N ATOM 144 CD2 HIS A 10 13.650 23.698 48.799 1.00 40.43 C ATOM 145 CE1 HIS A 10 12.369 25.302 49.435 1.00 31.13 C ATOM 146 NE2 HIS A 10 12.596 24.509 48.386 1.00 62.11 N ATOM 0 H HIS A 10 13.133 22.777 52.272 1.00 1.41 H new ATOM 0 HA HIS A 10 14.899 21.350 50.526 1.00 32.05 H new ATOM 0 HB2 HIS A 10 15.159 24.071 51.885 1.00 20.13 H new ATOM 0 HB3 HIS A 10 16.062 23.523 50.486 1.00 20.13 H new ATOM 0 HD2 HIS A 10 14.104 22.926 48.196 1.00 40.43 H new ATOM 0 HE1 HIS A 10 11.605 26.065 49.453 1.00 31.13 H new ATOM 0 HE2 HIS A 10 12.110 24.499 47.489 1.00 62.11 H new ATOM 154 N GLY A 11 17.127 21.217 51.846 1.00 30.35 N ATOM 155 CA GLY A 11 18.322 20.961 52.634 1.00 22.15 C ATOM 156 C GLY A 11 18.960 22.289 53.038 1.00 11.53 C ATOM 157 O GLY A 11 20.045 22.625 52.566 1.00 62.03 O ATOM 0 H GLY A 11 17.274 21.120 50.841 1.00 30.35 H new ATOM 0 HA2 GLY A 11 18.068 20.382 53.522 1.00 22.15 H new ATOM 0 HA3 GLY A 11 19.030 20.366 52.058 1.00 22.15 H new ATOM 161 N GLY A 12 18.267 23.054 53.891 1.00 21.34 N ATOM 162 CA GLY A 12 18.671 24.397 54.275 1.00 50.51 C ATOM 163 C GLY A 12 18.605 25.329 53.066 1.00 24.42 C ATOM 164 O GLY A 12 17.557 25.441 52.432 1.00 64.13 O ATOM 0 H GLY A 12 17.401 22.747 54.335 1.00 21.34 H new ATOM 0 HA2 GLY A 12 18.021 24.769 55.067 1.00 50.51 H new ATOM 0 HA3 GLY A 12 19.684 24.380 54.676 1.00 50.51 H new ATOM 168 N LEU A 13 19.729 25.982 52.743 1.00 4.14 N ATOM 169 CA LEU A 13 19.872 26.843 51.577 1.00 15.03 C ATOM 170 C LEU A 13 21.308 26.703 51.075 1.00 50.34 C ATOM 171 O LEU A 13 22.227 27.290 51.644 1.00 22.45 O ATOM 172 CB LEU A 13 19.497 28.289 51.957 1.00 2.15 C ATOM 173 CG LEU A 13 19.449 29.319 50.810 1.00 12.30 C ATOM 174 CD1 LEU A 13 20.828 29.815 50.360 1.00 62.41 C ATOM 175 CD2 LEU A 13 18.650 28.821 49.601 1.00 11.33 C ATOM 0 H LEU A 13 20.580 25.920 53.302 1.00 4.14 H new ATOM 0 HA LEU A 13 19.199 26.556 50.769 1.00 15.03 H new ATOM 0 HB2 LEU A 13 18.519 28.271 52.439 1.00 2.15 H new ATOM 0 HB3 LEU A 13 20.212 28.641 52.700 1.00 2.15 H new ATOM 0 HG LEU A 13 18.927 30.173 51.242 1.00 12.30 H new ATOM 0 HD11 LEU A 13 20.709 30.536 49.551 1.00 62.41 H new ATOM 0 HD12 LEU A 13 21.335 30.291 51.199 1.00 62.41 H new ATOM 0 HD13 LEU A 13 21.422 28.971 50.009 1.00 62.41 H new ATOM 0 HD21 LEU A 13 18.650 29.586 48.825 1.00 11.33 H new ATOM 0 HD22 LEU A 13 19.107 27.911 49.213 1.00 11.33 H new ATOM 0 HD23 LEU A 13 17.624 28.611 49.904 1.00 11.33 H new ATOM 187 N ASN A 14 21.501 25.904 50.018 1.00 51.22 N ATOM 188 CA ASN A 14 22.803 25.696 49.402 1.00 61.24 C ATOM 189 C ASN A 14 23.203 26.946 48.619 1.00 15.14 C ATOM 190 O ASN A 14 22.409 27.458 47.833 1.00 70.24 O ATOM 191 CB ASN A 14 22.754 24.468 48.482 1.00 31.02 C ATOM 192 CG ASN A 14 24.065 24.275 47.720 1.00 62.25 C ATOM 193 OD1 ASN A 14 24.083 24.275 46.492 1.00 70.04 O ATOM 194 ND2 ASN A 14 25.174 24.122 48.447 1.00 5.44 N ATOM 0 H ASN A 14 20.748 25.383 49.568 1.00 51.22 H new ATOM 0 HA ASN A 14 23.550 25.515 50.175 1.00 61.24 H new ATOM 0 HB2 ASN A 14 22.544 23.578 49.075 1.00 31.02 H new ATOM 0 HB3 ASN A 14 21.934 24.578 47.772 1.00 31.02 H new ATOM 0 HD21 ASN A 14 26.075 24.000 47.984 1.00 5.44 H new ATOM 0 HD22 ASN A 14 25.121 24.127 49.466 1.00 5.44 H new ATOM 201 N GLN A 15 24.440 27.416 48.827 1.00 65.51 N ATOM 202 CA GLN A 15 24.983 28.578 48.134 1.00 11.15 C ATOM 203 C GLN A 15 24.931 28.381 46.617 1.00 4.25 C ATOM 204 O GLN A 15 24.484 29.279 45.907 1.00 25.44 O ATOM 205 CB GLN A 15 26.420 28.854 48.587 1.00 5.33 C ATOM 206 CG GLN A 15 26.516 29.188 50.081 1.00 62.44 C ATOM 207 CD GLN A 15 27.947 29.561 50.460 1.00 51.10 C ATOM 208 OE1 GLN A 15 28.693 28.734 50.979 1.00 11.40 O ATOM 209 NE2 GLN A 15 28.335 30.812 50.201 1.00 65.44 N ATOM 0 H GLN A 15 25.092 26.993 49.487 1.00 65.51 H new ATOM 0 HA GLN A 15 24.368 29.441 48.389 1.00 11.15 H new ATOM 0 HB2 GLN A 15 27.038 27.982 48.374 1.00 5.33 H new ATOM 0 HB3 GLN A 15 26.827 29.682 48.007 1.00 5.33 H new ATOM 0 HG2 GLN A 15 25.845 30.014 50.318 1.00 62.44 H new ATOM 0 HG3 GLN A 15 26.189 28.332 50.672 1.00 62.44 H new ATOM 0 HE21 GLN A 15 27.685 31.468 49.769 1.00 65.44 H new ATOM 0 HE22 GLN A 15 29.282 31.111 50.435 1.00 65.44 H new ATOM 218 N LEU A 16 25.385 27.209 46.149 1.00 11.52 N ATOM 219 CA LEU A 16 25.447 26.801 44.748 1.00 13.02 C ATOM 220 C LEU A 16 26.528 27.572 43.985 1.00 64.11 C ATOM 221 O LEU A 16 26.732 28.765 44.204 1.00 70.21 O ATOM 222 CB LEU A 16 24.066 26.889 44.075 1.00 32.42 C ATOM 223 CG LEU A 16 24.001 26.279 42.664 1.00 22.32 C ATOM 224 CD1 LEU A 16 24.263 24.768 42.662 1.00 74.51 C ATOM 225 CD2 LEU A 16 22.615 26.558 42.068 1.00 21.31 C ATOM 0 H LEU A 16 25.736 26.485 46.776 1.00 11.52 H new ATOM 0 HA LEU A 16 25.739 25.751 44.718 1.00 13.02 H new ATOM 0 HB2 LEU A 16 23.335 26.386 44.708 1.00 32.42 H new ATOM 0 HB3 LEU A 16 23.770 27.937 44.018 1.00 32.42 H new ATOM 0 HG LEU A 16 24.785 26.741 42.065 1.00 22.32 H new ATOM 0 HD11 LEU A 16 24.205 24.390 41.641 1.00 74.51 H new ATOM 0 HD12 LEU A 16 25.256 24.570 43.066 1.00 74.51 H new ATOM 0 HD13 LEU A 16 23.515 24.268 43.277 1.00 74.51 H new ATOM 0 HD21 LEU A 16 22.557 26.130 41.067 1.00 21.31 H new ATOM 0 HD22 LEU A 16 21.850 26.108 42.700 1.00 21.31 H new ATOM 0 HD23 LEU A 16 22.453 27.634 42.013 1.00 21.31 H new ATOM 375 N PRO A 27 30.879 18.715 41.431 1.00 41.31 N ATOM 376 CA PRO A 27 32.003 19.592 41.161 1.00 22.41 C ATOM 377 C PRO A 27 32.943 18.910 40.161 1.00 14.43 C ATOM 378 O PRO A 27 33.814 18.140 40.560 1.00 13.35 O ATOM 379 CB PRO A 27 32.636 19.825 42.535 1.00 2.24 C ATOM 380 CG PRO A 27 32.386 18.512 43.277 1.00 4.11 C ATOM 381 CD PRO A 27 31.047 18.042 42.712 1.00 30.21 C ATOM 0 HA PRO A 27 31.735 20.544 40.703 1.00 22.41 H new ATOM 0 HB2 PRO A 27 33.701 20.042 42.453 1.00 2.24 H new ATOM 0 HB3 PRO A 27 32.177 20.669 43.049 1.00 2.24 H new ATOM 0 HG2 PRO A 27 33.178 17.787 43.091 1.00 4.11 H new ATOM 0 HG3 PRO A 27 32.338 18.662 44.356 1.00 4.11 H new ATOM 0 HD2 PRO A 27 31.038 16.959 42.585 1.00 30.21 H new ATOM 0 HD3 PRO A 27 30.231 18.290 43.391 1.00 30.21 H new ATOM 389 N GLU A 28 32.764 19.185 38.860 1.00 43.01 N ATOM 390 CA GLU A 28 33.539 18.587 37.774 1.00 35.23 C ATOM 391 C GLU A 28 35.054 18.695 37.989 1.00 24.05 C ATOM 392 O GLU A 28 35.792 17.773 37.639 1.00 21.14 O ATOM 393 CB GLU A 28 33.126 19.212 36.431 1.00 23.05 C ATOM 394 CG GLU A 28 31.758 18.682 35.974 1.00 5.43 C ATOM 395 CD GLU A 28 31.597 18.732 34.457 1.00 54.33 C ATOM 396 OE1 GLU A 28 32.290 17.930 33.795 1.00 73.11 O ATOM 397 OE2 GLU A 28 30.784 19.557 33.987 1.00 21.00 O ATOM 0 H GLU A 28 32.059 19.845 38.531 1.00 43.01 H new ATOM 0 HA GLU A 28 33.312 17.521 37.762 1.00 35.23 H new ATOM 0 HB2 GLU A 28 33.086 20.297 36.528 1.00 23.05 H new ATOM 0 HB3 GLU A 28 33.878 18.987 35.675 1.00 23.05 H new ATOM 0 HG2 GLU A 28 31.635 17.655 36.317 1.00 5.43 H new ATOM 0 HG3 GLU A 28 30.968 19.270 36.441 1.00 5.43 H new ATOM 404 N VAL A 29 35.504 19.804 38.586 1.00 64.11 N ATOM 405 CA VAL A 29 36.874 20.034 39.030 1.00 15.13 C ATOM 406 C VAL A 29 37.455 18.847 39.813 1.00 12.52 C ATOM 407 O VAL A 29 38.624 18.516 39.628 1.00 61.01 O ATOM 408 CB VAL A 29 36.936 21.351 39.828 1.00 64.43 C ATOM 409 CG1 VAL A 29 35.953 21.385 41.008 1.00 21.21 C ATOM 410 CG2 VAL A 29 38.351 21.638 40.348 1.00 33.51 C ATOM 0 H VAL A 29 34.893 20.597 38.779 1.00 64.11 H new ATOM 0 HA VAL A 29 37.509 20.126 38.149 1.00 15.13 H new ATOM 0 HB VAL A 29 36.645 22.127 39.120 1.00 64.43 H new ATOM 0 HG11 VAL A 29 36.044 22.337 41.530 1.00 21.21 H new ATOM 0 HG12 VAL A 29 34.935 21.271 40.637 1.00 21.21 H new ATOM 0 HG13 VAL A 29 36.182 20.571 41.696 1.00 21.21 H new ATOM 0 HG21 VAL A 29 38.351 22.575 40.905 1.00 33.51 H new ATOM 0 HG22 VAL A 29 38.670 20.827 41.003 1.00 33.51 H new ATOM 0 HG23 VAL A 29 39.039 21.716 39.506 1.00 33.51 H new ATOM 420 N VAL A 30 36.663 18.202 40.680 1.00 10.14 N ATOM 421 CA VAL A 30 37.114 17.065 41.471 1.00 21.24 C ATOM 422 C VAL A 30 37.460 15.897 40.548 1.00 11.43 C ATOM 423 O VAL A 30 38.594 15.427 40.576 1.00 23.41 O ATOM 424 CB VAL A 30 36.087 16.697 42.555 1.00 41.11 C ATOM 425 CG1 VAL A 30 36.536 15.462 43.350 1.00 52.52 C ATOM 426 CG2 VAL A 30 35.923 17.867 43.535 1.00 43.34 C ATOM 0 H VAL A 30 35.691 18.460 40.848 1.00 10.14 H new ATOM 0 HA VAL A 30 38.024 17.335 42.007 1.00 21.24 H new ATOM 0 HB VAL A 30 35.143 16.479 42.056 1.00 41.11 H new ATOM 0 HG11 VAL A 30 35.790 15.227 44.109 1.00 52.52 H new ATOM 0 HG12 VAL A 30 36.646 14.614 42.674 1.00 52.52 H new ATOM 0 HG13 VAL A 30 37.492 15.668 43.833 1.00 52.52 H new ATOM 0 HG21 VAL A 30 35.194 17.601 44.301 1.00 43.34 H new ATOM 0 HG22 VAL A 30 36.882 18.084 44.006 1.00 43.34 H new ATOM 0 HG23 VAL A 30 35.576 18.748 42.995 1.00 43.34 H new ATOM 436 N ARG A 31 36.509 15.463 39.710 1.00 5.12 N ATOM 437 CA ARG A 31 36.735 14.450 38.684 1.00 21.41 C ATOM 438 C ARG A 31 38.025 14.743 37.907 1.00 4.52 C ATOM 439 O ARG A 31 38.866 13.860 37.763 1.00 70.11 O ATOM 440 CB ARG A 31 35.485 14.347 37.791 1.00 11.21 C ATOM 441 CG ARG A 31 35.655 13.472 36.539 1.00 15.40 C ATOM 442 CD ARG A 31 36.214 14.236 35.325 1.00 34.52 C ATOM 443 NE ARG A 31 35.206 14.412 34.267 1.00 22.42 N ATOM 444 CZ ARG A 31 34.347 15.441 34.160 1.00 61.41 C ATOM 445 NH1 ARG A 31 34.342 16.447 35.041 1.00 74.51 N ATOM 446 NH2 ARG A 31 33.472 15.486 33.148 1.00 12.02 N ATOM 0 H ARG A 31 35.551 15.813 39.730 1.00 5.12 H new ATOM 0 HA ARG A 31 36.885 13.472 39.142 1.00 21.41 H new ATOM 0 HB2 ARG A 31 34.663 13.949 38.386 1.00 11.21 H new ATOM 0 HB3 ARG A 31 35.196 15.350 37.479 1.00 11.21 H new ATOM 0 HG2 ARG A 31 36.321 12.642 36.774 1.00 15.40 H new ATOM 0 HG3 ARG A 31 34.690 13.041 36.273 1.00 15.40 H new ATOM 0 HD2 ARG A 31 36.575 15.213 35.647 1.00 34.52 H new ATOM 0 HD3 ARG A 31 37.071 13.697 34.922 1.00 34.52 H new ATOM 0 HE ARG A 31 35.154 13.688 33.550 1.00 22.42 H new ATOM 0 HH11 ARG A 31 35.001 16.447 35.819 1.00 74.51 H new ATOM 0 HH12 ARG A 31 33.679 17.215 34.935 1.00 74.51 H new ATOM 0 HH21 ARG A 31 33.455 14.738 32.455 1.00 12.02 H new ATOM 0 HH22 ARG A 31 32.822 16.268 33.070 1.00 12.02 H new ATOM 460 N GLN A 32 38.202 15.991 37.454 1.00 41.43 N ATOM 461 CA GLN A 32 39.364 16.409 36.680 1.00 42.14 C ATOM 462 C GLN A 32 40.669 16.262 37.467 1.00 23.34 C ATOM 463 O GLN A 32 41.640 15.743 36.923 1.00 53.32 O ATOM 464 CB GLN A 32 39.181 17.846 36.168 1.00 34.41 C ATOM 465 CG GLN A 32 38.119 17.951 35.062 1.00 32.35 C ATOM 466 CD GLN A 32 38.484 17.157 33.808 1.00 51.33 C ATOM 467 OE1 GLN A 32 39.658 16.949 33.511 1.00 15.32 O ATOM 468 NE2 GLN A 32 37.474 16.706 33.064 1.00 23.24 N ATOM 0 H GLN A 32 37.532 16.742 37.620 1.00 41.43 H new ATOM 0 HA GLN A 32 39.441 15.742 35.821 1.00 42.14 H new ATOM 0 HB2 GLN A 32 38.898 18.491 37.000 1.00 34.41 H new ATOM 0 HB3 GLN A 32 40.133 18.216 35.788 1.00 34.41 H new ATOM 0 HG2 GLN A 32 37.164 17.593 35.447 1.00 32.35 H new ATOM 0 HG3 GLN A 32 37.982 18.999 34.795 1.00 32.35 H new ATOM 0 HE21 GLN A 32 36.511 16.898 33.341 1.00 23.24 H new ATOM 0 HE22 GLN A 32 37.664 16.169 32.218 1.00 23.24 H new ATOM 477 N ARG A 33 40.700 16.697 38.733 1.00 23.05 N ATOM 478 CA ARG A 33 41.862 16.540 39.603 1.00 22.10 C ATOM 479 C ARG A 33 42.269 15.068 39.708 1.00 43.52 C ATOM 480 O ARG A 33 43.419 14.731 39.436 1.00 45.23 O ATOM 481 CB ARG A 33 41.568 17.106 40.998 1.00 54.12 C ATOM 482 CG ARG A 33 41.656 18.636 41.044 1.00 34.11 C ATOM 483 CD ARG A 33 41.137 19.200 42.375 1.00 50.21 C ATOM 484 NE ARG A 33 41.814 18.599 43.538 1.00 50.33 N ATOM 485 CZ ARG A 33 41.354 17.579 44.289 1.00 13.24 C ATOM 486 NH1 ARG A 33 40.181 16.988 44.022 1.00 32.55 N ATOM 487 NH2 ARG A 33 42.084 17.138 45.322 1.00 13.51 N ATOM 0 H ARG A 33 39.914 17.169 39.180 1.00 23.05 H new ATOM 0 HA ARG A 33 42.690 17.097 39.164 1.00 22.10 H new ATOM 0 HB2 ARG A 33 40.572 16.794 41.310 1.00 54.12 H new ATOM 0 HB3 ARG A 33 42.273 16.683 41.714 1.00 54.12 H new ATOM 0 HG2 ARG A 33 42.691 18.945 40.898 1.00 34.11 H new ATOM 0 HG3 ARG A 33 41.079 19.058 40.221 1.00 34.11 H new ATOM 0 HD2 ARG A 33 41.282 20.280 42.391 1.00 50.21 H new ATOM 0 HD3 ARG A 33 40.064 19.021 42.449 1.00 50.21 H new ATOM 0 HE ARG A 33 42.718 18.993 43.800 1.00 50.33 H new ATOM 0 HH11 ARG A 33 39.616 17.309 43.236 1.00 32.55 H new ATOM 0 HH12 ARG A 33 39.854 16.218 44.605 1.00 32.55 H new ATOM 0 HH21 ARG A 33 42.981 17.574 45.535 1.00 13.51 H new ATOM 0 HH22 ARG A 33 41.743 16.366 45.895 1.00 13.51 H new ATOM 501 N ILE A 34 41.341 14.193 40.113 1.00 5.42 N ATOM 502 CA ILE A 34 41.633 12.782 40.330 1.00 14.35 C ATOM 503 C ILE A 34 42.118 12.126 39.034 1.00 71.22 C ATOM 504 O ILE A 34 43.113 11.406 39.056 1.00 12.24 O ATOM 505 CB ILE A 34 40.409 12.071 40.935 1.00 64.42 C ATOM 506 CG1 ILE A 34 39.890 12.751 42.218 1.00 71.44 C ATOM 507 CG2 ILE A 34 40.721 10.599 41.236 1.00 1.31 C ATOM 508 CD1 ILE A 34 40.964 13.203 43.214 1.00 11.21 C ATOM 0 H ILE A 34 40.371 14.448 40.298 1.00 5.42 H new ATOM 0 HA ILE A 34 42.445 12.689 41.051 1.00 14.35 H new ATOM 0 HB ILE A 34 39.624 12.138 40.182 1.00 64.42 H new ATOM 0 HG12 ILE A 34 39.298 13.620 41.932 1.00 71.44 H new ATOM 0 HG13 ILE A 34 39.217 12.060 42.726 1.00 71.44 H new ATOM 0 HG21 ILE A 34 39.840 10.120 41.663 1.00 1.31 H new ATOM 0 HG22 ILE A 34 41.000 10.090 40.313 1.00 1.31 H new ATOM 0 HG23 ILE A 34 41.546 10.540 41.946 1.00 1.31 H new ATOM 0 HD11 ILE A 34 40.487 13.667 44.077 1.00 11.21 H new ATOM 0 HD12 ILE A 34 41.544 12.340 43.540 1.00 11.21 H new ATOM 0 HD13 ILE A 34 41.625 13.924 42.734 1.00 11.21 H new ATOM 520 N VAL A 35 41.444 12.395 37.908 1.00 41.20 N ATOM 521 CA VAL A 35 41.840 11.910 36.588 1.00 2.32 C ATOM 522 C VAL A 35 43.263 12.365 36.245 1.00 43.30 C ATOM 523 O VAL A 35 44.077 11.546 35.820 1.00 65.33 O ATOM 524 CB VAL A 35 40.801 12.355 35.541 1.00 1.35 C ATOM 525 CG1 VAL A 35 41.297 12.194 34.098 1.00 1.21 C ATOM 526 CG2 VAL A 35 39.516 11.530 35.710 1.00 64.54 C ATOM 0 H VAL A 35 40.597 12.964 37.893 1.00 41.20 H new ATOM 0 HA VAL A 35 41.860 10.820 36.588 1.00 2.32 H new ATOM 0 HB VAL A 35 40.617 13.416 35.713 1.00 1.35 H new ATOM 0 HG11 VAL A 35 40.521 12.524 33.408 1.00 1.21 H new ATOM 0 HG12 VAL A 35 42.193 12.797 33.952 1.00 1.21 H new ATOM 0 HG13 VAL A 35 41.530 11.146 33.908 1.00 1.21 H new ATOM 0 HG21 VAL A 35 38.781 11.845 34.969 1.00 64.54 H new ATOM 0 HG22 VAL A 35 39.741 10.473 35.571 1.00 64.54 H new ATOM 0 HG23 VAL A 35 39.112 11.686 36.710 1.00 64.54 H new ATOM 536 N ASP A 36 43.568 13.656 36.437 1.00 40.23 N ATOM 537 CA ASP A 36 44.885 14.213 36.159 1.00 75.15 C ATOM 538 C ASP A 36 45.956 13.496 36.979 1.00 13.13 C ATOM 539 O ASP A 36 46.867 12.901 36.411 1.00 34.43 O ATOM 540 CB ASP A 36 44.890 15.723 36.425 1.00 4.44 C ATOM 541 CG ASP A 36 46.260 16.332 36.137 1.00 22.21 C ATOM 542 OD1 ASP A 36 46.471 16.735 34.973 1.00 65.24 O ATOM 543 OD2 ASP A 36 47.077 16.375 37.083 1.00 31.25 O ATOM 0 H ASP A 36 42.900 14.341 36.791 1.00 40.23 H new ATOM 0 HA ASP A 36 45.118 14.057 35.106 1.00 75.15 H new ATOM 0 HB2 ASP A 36 44.137 16.207 35.803 1.00 4.44 H new ATOM 0 HB3 ASP A 36 44.616 15.913 37.463 1.00 4.44 H new ATOM 548 N LEU A 37 45.839 13.526 38.311 1.00 60.22 N ATOM 549 CA LEU A 37 46.815 12.912 39.202 1.00 13.44 C ATOM 550 C LEU A 37 46.963 11.411 38.931 1.00 10.25 C ATOM 551 O LEU A 37 48.074 10.888 38.987 1.00 44.41 O ATOM 552 CB LEU A 37 46.476 13.199 40.673 1.00 12.20 C ATOM 553 CG LEU A 37 46.991 14.570 41.156 1.00 63.53 C ATOM 554 CD1 LEU A 37 46.133 15.754 40.694 1.00 53.45 C ATOM 555 CD2 LEU A 37 47.053 14.590 42.686 1.00 74.11 C ATOM 0 H LEU A 37 45.064 13.978 38.796 1.00 60.22 H new ATOM 0 HA LEU A 37 47.784 13.366 38.996 1.00 13.44 H new ATOM 0 HB2 LEU A 37 45.395 13.156 40.805 1.00 12.20 H new ATOM 0 HB3 LEU A 37 46.905 12.416 41.298 1.00 12.20 H new ATOM 0 HG LEU A 37 47.979 14.690 40.711 1.00 63.53 H new ATOM 0 HD11 LEU A 37 46.560 16.682 41.074 1.00 53.45 H new ATOM 0 HD12 LEU A 37 46.110 15.784 39.605 1.00 53.45 H new ATOM 0 HD13 LEU A 37 45.118 15.639 41.075 1.00 53.45 H new ATOM 0 HD21 LEU A 37 47.417 15.561 43.023 1.00 74.11 H new ATOM 0 HD22 LEU A 37 46.057 14.415 43.093 1.00 74.11 H new ATOM 0 HD23 LEU A 37 47.729 13.808 43.033 1.00 74.11 H new ATOM 567 N ALA A 38 45.865 10.721 38.602 1.00 55.14 N ATOM 568 CA ALA A 38 45.908 9.319 38.214 1.00 34.42 C ATOM 569 C ALA A 38 46.684 9.102 36.911 1.00 71.52 C ATOM 570 O ALA A 38 47.321 8.060 36.762 1.00 62.24 O ATOM 571 CB ALA A 38 44.489 8.759 38.097 1.00 34.32 C ATOM 0 H ALA A 38 44.928 11.123 38.599 1.00 55.14 H new ATOM 0 HA ALA A 38 46.442 8.779 38.996 1.00 34.42 H new ATOM 0 HB1 ALA A 38 44.535 7.710 37.806 1.00 34.32 H new ATOM 0 HB2 ALA A 38 43.983 8.847 39.058 1.00 34.32 H new ATOM 0 HB3 ALA A 38 43.937 9.321 37.343 1.00 34.32 H new ATOM 577 N HIS A 39 46.640 10.059 35.970 1.00 42.02 N ATOM 578 CA HIS A 39 47.290 9.922 34.672 1.00 52.34 C ATOM 579 C HIS A 39 48.804 9.773 34.829 1.00 51.35 C ATOM 580 O HIS A 39 49.357 8.755 34.415 1.00 44.11 O ATOM 581 CB HIS A 39 46.926 11.086 33.742 1.00 73.21 C ATOM 582 CG HIS A 39 47.516 10.924 32.365 1.00 62.31 C ATOM 583 ND1 HIS A 39 46.931 10.132 31.388 1.00 10.10 N ATOM 584 CD2 HIS A 39 48.668 11.410 31.797 1.00 73.03 C ATOM 585 CE1 HIS A 39 47.737 10.167 30.313 1.00 11.12 C ATOM 586 NE2 HIS A 39 48.815 10.931 30.498 1.00 35.54 N ATOM 0 H HIS A 39 46.151 10.946 36.095 1.00 42.02 H new ATOM 0 HA HIS A 39 46.919 9.009 34.205 1.00 52.34 H new ATOM 0 HB2 HIS A 39 45.841 11.160 33.664 1.00 73.21 H new ATOM 0 HB3 HIS A 39 47.279 12.021 34.178 1.00 73.21 H new ATOM 0 HD2 HIS A 39 49.364 12.072 32.290 1.00 73.03 H new ATOM 0 HE1 HIS A 39 47.534 9.633 29.396 1.00 11.12 H new ATOM 0 HE2 HIS A 39 49.571 11.120 29.840 1.00 35.54 H new ATOM 594 N GLN A 40 49.477 10.763 35.435 1.00 44.54 N ATOM 595 CA GLN A 40 50.909 10.657 35.710 1.00 51.34 C ATOM 596 C GLN A 40 51.203 9.663 36.841 1.00 13.34 C ATOM 597 O GLN A 40 52.330 9.184 36.958 1.00 1.23 O ATOM 598 CB GLN A 40 51.562 12.024 35.959 1.00 73.23 C ATOM 599 CG GLN A 40 50.918 12.869 37.068 1.00 65.30 C ATOM 600 CD GLN A 40 49.815 13.802 36.565 1.00 73.02 C ATOM 601 OE1 GLN A 40 49.385 13.716 35.417 1.00 61.11 O ATOM 602 NE2 GLN A 40 49.362 14.709 37.430 1.00 65.41 N ATOM 0 H GLN A 40 49.052 11.638 35.740 1.00 44.54 H new ATOM 0 HA GLN A 40 51.369 10.257 34.807 1.00 51.34 H new ATOM 0 HB2 GLN A 40 52.611 11.866 36.209 1.00 73.23 H new ATOM 0 HB3 GLN A 40 51.537 12.594 35.030 1.00 73.23 H new ATOM 0 HG2 GLN A 40 50.502 12.204 37.825 1.00 65.30 H new ATOM 0 HG3 GLN A 40 51.691 13.463 37.555 1.00 65.30 H new ATOM 0 HE21 GLN A 40 49.745 14.749 38.375 1.00 65.41 H new ATOM 0 HE22 GLN A 40 48.633 15.364 37.147 1.00 65.41 H new ATOM 611 N GLY A 41 50.194 9.333 37.655 1.00 54.33 N ATOM 612 CA GLY A 41 50.274 8.286 38.659 1.00 54.14 C ATOM 613 C GLY A 41 50.927 8.807 39.933 1.00 22.25 C ATOM 614 O GLY A 41 52.003 8.351 40.318 1.00 73.11 O ATOM 0 H GLY A 41 49.287 9.799 37.628 1.00 54.33 H new ATOM 0 HA2 GLY A 41 49.274 7.914 38.883 1.00 54.14 H new ATOM 0 HA3 GLY A 41 50.847 7.445 38.269 1.00 54.14 H new ATOM 618 N VAL A 42 50.254 9.752 40.595 1.00 54.53 N ATOM 619 CA VAL A 42 50.687 10.290 41.873 1.00 2.22 C ATOM 620 C VAL A 42 50.332 9.282 42.970 1.00 5.13 C ATOM 621 O VAL A 42 49.160 9.053 43.261 1.00 5.44 O ATOM 622 CB VAL A 42 50.045 11.665 42.117 1.00 14.12 C ATOM 623 CG1 VAL A 42 50.550 12.263 43.434 1.00 0.24 C ATOM 624 CG2 VAL A 42 50.397 12.640 40.986 1.00 3.52 C ATOM 0 H VAL A 42 49.387 10.164 40.250 1.00 54.53 H new ATOM 0 HA VAL A 42 51.766 10.443 41.878 1.00 2.22 H new ATOM 0 HB VAL A 42 48.965 11.520 42.157 1.00 14.12 H new ATOM 0 HG11 VAL A 42 50.086 13.237 43.593 1.00 0.24 H new ATOM 0 HG12 VAL A 42 50.291 11.599 44.258 1.00 0.24 H new ATOM 0 HG13 VAL A 42 51.633 12.380 43.389 1.00 0.24 H new ATOM 0 HG21 VAL A 42 49.932 13.606 41.181 1.00 3.52 H new ATOM 0 HG22 VAL A 42 51.479 12.762 40.935 1.00 3.52 H new ATOM 0 HG23 VAL A 42 50.031 12.245 40.038 1.00 3.52 H new ATOM 634 N ARG A 43 51.367 8.693 43.577 1.00 11.23 N ATOM 635 CA ARG A 43 51.286 7.787 44.714 1.00 3.44 C ATOM 636 C ARG A 43 50.649 8.500 45.919 1.00 74.35 C ATOM 637 O ARG A 43 50.787 9.716 46.033 1.00 60.31 O ATOM 638 CB ARG A 43 52.719 7.308 45.004 1.00 43.22 C ATOM 639 CG ARG A 43 53.620 8.470 45.453 1.00 64.02 C ATOM 640 CD ARG A 43 55.107 8.210 45.184 1.00 73.42 C ATOM 641 NE ARG A 43 55.397 8.203 43.741 1.00 1.53 N ATOM 642 CZ ARG A 43 55.419 9.282 42.936 1.00 41.24 C ATOM 643 NH1 ARG A 43 55.281 10.523 43.428 1.00 3.34 N ATOM 644 NH2 ARG A 43 55.579 9.113 41.617 1.00 25.11 N ATOM 0 H ARG A 43 52.328 8.846 43.270 1.00 11.23 H new ATOM 0 HA ARG A 43 50.650 6.927 44.502 1.00 3.44 H new ATOM 0 HB2 ARG A 43 52.698 6.542 45.779 1.00 43.22 H new ATOM 0 HB3 ARG A 43 53.137 6.846 44.110 1.00 43.22 H new ATOM 0 HG2 ARG A 43 53.316 9.380 44.935 1.00 64.02 H new ATOM 0 HG3 ARG A 43 53.474 8.646 46.519 1.00 64.02 H new ATOM 0 HD2 ARG A 43 55.707 8.977 45.674 1.00 73.42 H new ATOM 0 HD3 ARG A 43 55.396 7.253 45.620 1.00 73.42 H new ATOM 0 HE ARG A 43 55.599 7.300 43.312 1.00 1.53 H new ATOM 0 HH11 ARG A 43 55.156 10.663 44.431 1.00 3.34 H new ATOM 0 HH12 ARG A 43 55.301 11.326 42.799 1.00 3.34 H new ATOM 0 HH21 ARG A 43 55.683 8.174 41.232 1.00 25.11 H new ATOM 0 HH22 ARG A 43 55.597 9.923 40.998 1.00 25.11 H new ATOM 658 N PRO A 44 49.950 7.786 46.821 1.00 13.54 N ATOM 659 CA PRO A 44 49.208 8.391 47.925 1.00 41.22 C ATOM 660 C PRO A 44 50.098 9.241 48.837 1.00 42.33 C ATOM 661 O PRO A 44 49.703 10.334 49.241 1.00 52.11 O ATOM 662 CB PRO A 44 48.545 7.232 48.679 1.00 42.31 C ATOM 663 CG PRO A 44 49.351 6.003 48.263 1.00 40.31 C ATOM 664 CD PRO A 44 49.801 6.342 46.843 1.00 42.55 C ATOM 0 HA PRO A 44 48.462 9.090 47.548 1.00 41.22 H new ATOM 0 HB2 PRO A 44 48.582 7.386 49.757 1.00 42.31 H new ATOM 0 HB3 PRO A 44 47.494 7.130 48.407 1.00 42.31 H new ATOM 0 HG2 PRO A 44 50.201 5.836 48.925 1.00 40.31 H new ATOM 0 HG3 PRO A 44 48.745 5.097 48.288 1.00 40.31 H new ATOM 0 HD2 PRO A 44 50.741 5.846 46.600 1.00 42.55 H new ATOM 0 HD3 PRO A 44 49.067 6.011 46.109 1.00 42.55 H new ATOM 672 N CYS A 45 51.315 8.757 49.116 1.00 50.31 N ATOM 673 CA CYS A 45 52.323 9.467 49.897 1.00 52.32 C ATOM 674 C CYS A 45 52.802 10.770 49.238 1.00 30.23 C ATOM 675 O CYS A 45 53.574 11.500 49.858 1.00 24.32 O ATOM 676 CB CYS A 45 53.510 8.537 50.161 1.00 13.31 C ATOM 677 SG CYS A 45 52.991 7.110 51.154 1.00 2.34 S ATOM 0 H CYS A 45 51.628 7.841 48.796 1.00 50.31 H new ATOM 0 HA CYS A 45 51.853 9.759 50.836 1.00 52.32 H new ATOM 0 HB2 CYS A 45 53.930 8.196 49.215 1.00 13.31 H new ATOM 0 HB3 CYS A 45 54.298 9.082 50.681 1.00 13.31 H new ATOM 0 HG CYS A 45 54.012 6.333 51.364 1.00 2.34 H new ATOM 683 N ASP A 46 52.366 11.063 48.004 1.00 74.45 N ATOM 684 CA ASP A 46 52.668 12.287 47.274 1.00 51.53 C ATOM 685 C ASP A 46 51.401 13.112 46.997 1.00 15.24 C ATOM 686 O ASP A 46 51.484 14.335 46.912 1.00 11.43 O ATOM 687 CB ASP A 46 53.446 11.937 46.004 1.00 73.43 C ATOM 688 CG ASP A 46 54.292 13.098 45.493 1.00 3.23 C ATOM 689 OD1 ASP A 46 53.697 14.095 45.037 1.00 5.21 O ATOM 690 OD2 ASP A 46 55.533 12.959 45.568 1.00 61.22 O ATOM 0 H ASP A 46 51.772 10.425 47.474 1.00 74.45 H new ATOM 0 HA ASP A 46 53.299 12.929 47.888 1.00 51.53 H new ATOM 0 HB2 ASP A 46 54.092 11.082 46.203 1.00 73.43 H new ATOM 0 HB3 ASP A 46 52.746 11.633 45.226 1.00 73.43 H new ATOM 695 N ILE A 47 50.216 12.481 46.926 1.00 75.42 N ATOM 696 CA ILE A 47 48.950 13.214 46.964 1.00 34.34 C ATOM 697 C ILE A 47 48.918 14.060 48.244 1.00 55.42 C ATOM 698 O ILE A 47 48.595 15.248 48.191 1.00 24.42 O ATOM 699 CB ILE A 47 47.733 12.266 46.874 1.00 30.23 C ATOM 700 CG1 ILE A 47 47.759 11.480 45.549 1.00 12.45 C ATOM 701 CG2 ILE A 47 46.429 13.075 46.989 1.00 65.45 C ATOM 702 CD1 ILE A 47 46.569 10.540 45.343 1.00 30.41 C ATOM 0 H ILE A 47 50.114 11.470 46.842 1.00 75.42 H new ATOM 0 HA ILE A 47 48.884 13.867 46.094 1.00 34.34 H new ATOM 0 HB ILE A 47 47.782 11.553 47.697 1.00 30.23 H new ATOM 0 HG12 ILE A 47 47.793 12.189 44.722 1.00 12.45 H new ATOM 0 HG13 ILE A 47 48.678 10.896 45.506 1.00 12.45 H new ATOM 0 HG21 ILE A 47 45.575 12.400 46.925 1.00 65.45 H new ATOM 0 HG22 ILE A 47 46.408 13.597 47.946 1.00 65.45 H new ATOM 0 HG23 ILE A 47 46.379 13.802 46.178 1.00 65.45 H new ATOM 0 HD11 ILE A 47 46.671 10.029 44.386 1.00 30.41 H new ATOM 0 HD12 ILE A 47 46.543 9.804 46.146 1.00 30.41 H new ATOM 0 HD13 ILE A 47 45.644 11.117 45.350 1.00 30.41 H new ATOM 714 N SER A 48 49.296 13.450 49.376 1.00 3.00 N ATOM 715 CA SER A 48 49.452 14.117 50.662 1.00 1.14 C ATOM 716 C SER A 48 50.288 15.394 50.551 1.00 53.20 C ATOM 717 O SER A 48 49.939 16.405 51.158 1.00 4.33 O ATOM 718 CB SER A 48 50.057 13.146 51.683 1.00 30.12 C ATOM 719 OG SER A 48 51.265 12.599 51.202 1.00 40.04 O ATOM 0 H SER A 48 49.506 12.453 49.416 1.00 3.00 H new ATOM 0 HA SER A 48 48.463 14.421 51.005 1.00 1.14 H new ATOM 0 HB2 SER A 48 50.238 13.667 52.623 1.00 30.12 H new ATOM 0 HB3 SER A 48 49.348 12.345 51.893 1.00 30.12 H new ATOM 0 HG SER A 48 51.634 11.984 51.869 1.00 40.04 H new ATOM 725 N ARG A 49 51.378 15.352 49.775 1.00 22.21 N ATOM 726 CA ARG A 49 52.279 16.479 49.583 1.00 73.11 C ATOM 727 C ARG A 49 51.574 17.587 48.806 1.00 40.23 C ATOM 728 O ARG A 49 51.389 18.682 49.333 1.00 30.13 O ATOM 729 CB ARG A 49 53.568 16.036 48.873 1.00 65.43 C ATOM 730 CG ARG A 49 54.288 14.960 49.686 1.00 71.02 C ATOM 731 CD ARG A 49 55.576 14.499 48.996 1.00 32.05 C ATOM 732 NE ARG A 49 56.173 13.378 49.739 1.00 71.55 N ATOM 733 CZ ARG A 49 56.561 12.185 49.253 1.00 51.44 C ATOM 734 NH1 ARG A 49 56.523 11.891 47.945 1.00 34.11 N ATOM 735 NH2 ARG A 49 57.004 11.257 50.111 1.00 70.21 N ATOM 0 H ARG A 49 51.657 14.518 49.258 1.00 22.21 H new ATOM 0 HA ARG A 49 52.561 16.871 50.560 1.00 73.11 H new ATOM 0 HB2 ARG A 49 53.330 15.651 47.881 1.00 65.43 H new ATOM 0 HB3 ARG A 49 54.225 16.894 48.733 1.00 65.43 H new ATOM 0 HG2 ARG A 49 54.524 15.349 50.676 1.00 71.02 H new ATOM 0 HG3 ARG A 49 53.625 14.106 49.828 1.00 71.02 H new ATOM 0 HD2 ARG A 49 55.360 14.193 47.972 1.00 32.05 H new ATOM 0 HD3 ARG A 49 56.284 15.326 48.939 1.00 32.05 H new ATOM 0 HE ARG A 49 56.309 13.522 50.740 1.00 71.55 H new ATOM 0 HH11 ARG A 49 56.190 12.585 47.276 1.00 34.11 H new ATOM 0 HH12 ARG A 49 56.827 10.973 47.620 1.00 34.11 H new ATOM 0 HH21 ARG A 49 57.042 11.462 51.109 1.00 70.21 H new ATOM 0 HH22 ARG A 49 57.304 10.345 49.766 1.00 70.21 H new ATOM 749 N GLN A 50 51.193 17.300 47.555 1.00 54.31 N ATOM 750 CA GLN A 50 50.632 18.275 46.628 1.00 73.01 C ATOM 751 C GLN A 50 49.413 19.019 47.174 1.00 54.14 C ATOM 752 O GLN A 50 49.300 20.227 46.968 1.00 21.42 O ATOM 753 CB GLN A 50 50.268 17.567 45.323 1.00 1.42 C ATOM 754 CG GLN A 50 51.526 17.084 44.601 1.00 51.22 C ATOM 755 CD GLN A 50 51.161 16.251 43.381 1.00 35.21 C ATOM 756 OE1 GLN A 50 50.262 16.602 42.619 1.00 42.32 O ATOM 757 NE2 GLN A 50 51.846 15.125 43.203 1.00 63.34 N ATOM 0 H GLN A 50 51.270 16.364 47.157 1.00 54.31 H new ATOM 0 HA GLN A 50 51.397 19.034 46.464 1.00 73.01 H new ATOM 0 HB2 GLN A 50 49.615 16.720 45.533 1.00 1.42 H new ATOM 0 HB3 GLN A 50 49.711 18.246 44.678 1.00 1.42 H new ATOM 0 HG2 GLN A 50 52.127 17.940 44.296 1.00 51.22 H new ATOM 0 HG3 GLN A 50 52.137 16.492 45.282 1.00 51.22 H new ATOM 0 HE21 GLN A 50 52.585 14.869 43.858 1.00 63.34 H new ATOM 0 HE22 GLN A 50 51.632 14.518 42.412 1.00 63.34 H new ATOM 766 N LEU A 51 48.494 18.314 47.846 1.00 1.55 N ATOM 767 CA LEU A 51 47.263 18.905 48.358 1.00 63.21 C ATOM 768 C LEU A 51 47.428 19.381 49.806 1.00 10.15 C ATOM 769 O LEU A 51 46.569 20.113 50.293 1.00 2.21 O ATOM 770 CB LEU A 51 46.092 17.913 48.225 1.00 11.20 C ATOM 771 CG LEU A 51 45.517 17.731 46.805 1.00 21.40 C ATOM 772 CD1 LEU A 51 44.960 19.034 46.213 1.00 10.43 C ATOM 773 CD2 LEU A 51 46.505 17.113 45.812 1.00 51.41 C ATOM 0 H LEU A 51 48.588 17.318 48.047 1.00 1.55 H new ATOM 0 HA LEU A 51 47.035 19.784 47.755 1.00 63.21 H new ATOM 0 HB2 LEU A 51 46.423 16.940 48.589 1.00 11.20 H new ATOM 0 HB3 LEU A 51 45.287 18.242 48.882 1.00 11.20 H new ATOM 0 HG LEU A 51 44.697 17.027 46.947 1.00 21.40 H new ATOM 0 HD11 LEU A 51 44.570 18.842 45.213 1.00 10.43 H new ATOM 0 HD12 LEU A 51 44.159 19.409 46.849 1.00 10.43 H new ATOM 0 HD13 LEU A 51 45.756 19.777 46.155 1.00 10.43 H new ATOM 0 HD21 LEU A 51 46.028 17.017 44.837 1.00 51.41 H new ATOM 0 HD22 LEU A 51 47.383 17.754 45.725 1.00 51.41 H new ATOM 0 HD23 LEU A 51 46.809 16.128 46.166 1.00 51.41 H new ATOM 785 N ARG A 52 48.522 19.000 50.479 1.00 65.33 N ATOM 786 CA ARG A 52 48.772 19.273 51.885 1.00 33.01 C ATOM 787 C ARG A 52 47.659 18.664 52.737 1.00 33.41 C ATOM 788 O ARG A 52 46.883 19.380 53.368 1.00 42.44 O ATOM 789 CB ARG A 52 48.965 20.769 52.176 1.00 42.14 C ATOM 790 CG ARG A 52 50.188 21.381 51.480 1.00 12.44 C ATOM 791 CD ARG A 52 50.001 21.729 49.996 1.00 72.43 C ATOM 792 NE ARG A 52 48.726 22.409 49.725 1.00 33.22 N ATOM 793 CZ ARG A 52 48.451 23.697 49.988 1.00 63.20 C ATOM 794 NH1 ARG A 52 49.370 24.498 50.546 1.00 32.50 N ATOM 795 NH2 ARG A 52 47.239 24.184 49.694 1.00 32.12 N ATOM 0 H ARG A 52 49.278 18.476 50.037 1.00 65.33 H new ATOM 0 HA ARG A 52 49.717 18.800 52.153 1.00 33.01 H new ATOM 0 HB2 ARG A 52 48.072 21.309 51.862 1.00 42.14 H new ATOM 0 HB3 ARG A 52 49.062 20.911 53.252 1.00 42.14 H new ATOM 0 HG2 ARG A 52 50.472 22.288 52.014 1.00 12.44 H new ATOM 0 HG3 ARG A 52 51.021 20.684 51.569 1.00 12.44 H new ATOM 0 HD2 ARG A 52 50.823 22.366 49.671 1.00 72.43 H new ATOM 0 HD3 ARG A 52 50.053 20.815 49.404 1.00 72.43 H new ATOM 0 HE ARG A 52 47.984 21.853 49.299 1.00 33.22 H new ATOM 0 HH11 ARG A 52 50.293 24.131 50.777 1.00 32.50 H new ATOM 0 HH12 ARG A 52 49.146 25.474 50.740 1.00 32.50 H new ATOM 0 HH21 ARG A 52 46.534 23.578 49.274 1.00 32.12 H new ATOM 0 HH22 ARG A 52 47.021 25.161 49.890 1.00 32.12 H new ATOM 809 N VAL A 53 47.586 17.331 52.726 1.00 13.32 N ATOM 810 CA VAL A 53 46.568 16.554 53.429 1.00 71.02 C ATOM 811 C VAL A 53 47.188 15.310 54.076 1.00 2.10 C ATOM 812 O VAL A 53 48.365 15.018 53.869 1.00 53.30 O ATOM 813 CB VAL A 53 45.402 16.197 52.487 1.00 0.21 C ATOM 814 CG1 VAL A 53 44.668 17.440 51.971 1.00 73.14 C ATOM 815 CG2 VAL A 53 45.862 15.330 51.311 1.00 71.00 C ATOM 0 H VAL A 53 48.250 16.750 52.215 1.00 13.32 H new ATOM 0 HA VAL A 53 46.156 17.166 54.231 1.00 71.02 H new ATOM 0 HB VAL A 53 44.699 15.618 53.086 1.00 0.21 H new ATOM 0 HG11 VAL A 53 43.855 17.135 51.312 1.00 73.14 H new ATOM 0 HG12 VAL A 53 44.261 17.998 52.814 1.00 73.14 H new ATOM 0 HG13 VAL A 53 45.365 18.072 51.420 1.00 73.14 H new ATOM 0 HG21 VAL A 53 45.009 15.101 50.672 1.00 71.00 H new ATOM 0 HG22 VAL A 53 46.614 15.869 50.734 1.00 71.00 H new ATOM 0 HG23 VAL A 53 46.291 14.402 51.689 1.00 71.00 H new ATOM 825 N SER A 54 46.387 14.596 54.880 1.00 32.42 N ATOM 826 CA SER A 54 46.837 13.504 55.733 1.00 1.42 C ATOM 827 C SER A 54 46.954 12.188 54.947 1.00 14.30 C ATOM 828 O SER A 54 47.904 12.017 54.188 1.00 10.44 O ATOM 829 CB SER A 54 45.911 13.409 56.955 1.00 24.22 C ATOM 830 OG SER A 54 45.960 14.609 57.698 1.00 74.41 O ATOM 0 H SER A 54 45.385 14.772 54.952 1.00 32.42 H new ATOM 0 HA SER A 54 47.844 13.707 56.096 1.00 1.42 H new ATOM 0 HB2 SER A 54 44.888 13.215 56.631 1.00 24.22 H new ATOM 0 HB3 SER A 54 46.211 12.571 57.584 1.00 24.22 H new ATOM 0 HG SER A 54 45.365 14.538 58.473 1.00 74.41 H new ATOM 836 N HIS A 55 46.016 11.250 55.148 1.00 41.42 N ATOM 837 CA HIS A 55 46.067 9.902 54.589 1.00 13.01 C ATOM 838 C HIS A 55 44.652 9.327 54.462 1.00 52.34 C ATOM 839 O HIS A 55 44.291 8.797 53.414 1.00 12.40 O ATOM 840 CB HIS A 55 46.984 9.005 55.432 1.00 22.43 C ATOM 841 CG HIS A 55 46.573 8.884 56.878 1.00 73.04 C ATOM 842 ND1 HIS A 55 45.736 7.876 57.334 1.00 21.40 N ATOM 843 CD2 HIS A 55 46.862 9.644 57.984 1.00 63.22 C ATOM 844 CE1 HIS A 55 45.552 8.076 58.649 1.00 11.45 C ATOM 845 NE2 HIS A 55 46.209 9.144 59.107 1.00 73.21 N ATOM 0 H HIS A 55 45.186 11.417 55.717 1.00 41.42 H new ATOM 0 HA HIS A 55 46.493 9.945 53.587 1.00 13.01 H new ATOM 0 HB2 HIS A 55 47.007 8.010 54.988 1.00 22.43 H new ATOM 0 HB3 HIS A 55 48.000 9.398 55.386 1.00 22.43 H new ATOM 0 HD2 HIS A 55 47.507 10.510 57.983 1.00 63.22 H new ATOM 0 HE1 HIS A 55 44.938 7.441 59.270 1.00 11.45 H new ATOM 0 HE2 HIS A 55 46.228 9.509 60.059 1.00 73.21 H new ATOM 853 N GLY A 56 43.825 9.481 55.504 1.00 2.43 N ATOM 854 CA GLY A 56 42.388 9.270 55.400 1.00 2.13 C ATOM 855 C GLY A 56 41.800 10.244 54.377 1.00 41.23 C ATOM 856 O GLY A 56 40.943 9.874 53.576 1.00 71.50 O ATOM 0 H GLY A 56 44.138 9.754 56.436 1.00 2.43 H new ATOM 0 HA2 GLY A 56 42.182 8.243 55.100 1.00 2.13 H new ATOM 0 HA3 GLY A 56 41.917 9.419 56.372 1.00 2.13 H new ATOM 860 N CYS A 57 42.305 11.484 54.387 1.00 3.01 N ATOM 861 CA CYS A 57 41.976 12.505 53.408 1.00 43.12 C ATOM 862 C CYS A 57 42.344 12.018 52.006 1.00 62.34 C ATOM 863 O CYS A 57 41.521 12.099 51.100 1.00 44.13 O ATOM 864 CB CYS A 57 42.724 13.799 53.742 1.00 44.20 C ATOM 865 SG CYS A 57 42.257 14.405 55.386 1.00 62.44 S ATOM 0 H CYS A 57 42.967 11.803 55.094 1.00 3.01 H new ATOM 0 HA CYS A 57 40.904 12.703 53.436 1.00 43.12 H new ATOM 0 HB2 CYS A 57 43.799 13.623 53.706 1.00 44.20 H new ATOM 0 HB3 CYS A 57 42.500 14.558 52.992 1.00 44.20 H new ATOM 0 HG CYS A 57 42.907 15.501 55.645 1.00 62.44 H new ATOM 871 N VAL A 58 43.564 11.492 51.838 1.00 33.51 N ATOM 872 CA VAL A 58 44.043 10.963 50.568 1.00 42.42 C ATOM 873 C VAL A 58 43.121 9.848 50.071 1.00 22.51 C ATOM 874 O VAL A 58 42.781 9.824 48.892 1.00 71.11 O ATOM 875 CB VAL A 58 45.495 10.476 50.702 1.00 4.34 C ATOM 876 CG1 VAL A 58 45.979 9.832 49.397 1.00 45.42 C ATOM 877 CG2 VAL A 58 46.436 11.630 51.064 1.00 23.21 C ATOM 0 H VAL A 58 44.248 11.424 52.591 1.00 33.51 H new ATOM 0 HA VAL A 58 44.028 11.761 49.826 1.00 42.42 H new ATOM 0 HB VAL A 58 45.512 9.735 51.502 1.00 4.34 H new ATOM 0 HG11 VAL A 58 47.009 9.496 49.517 1.00 45.42 H new ATOM 0 HG12 VAL A 58 45.345 8.979 49.155 1.00 45.42 H new ATOM 0 HG13 VAL A 58 45.928 10.563 48.590 1.00 45.42 H new ATOM 0 HG21 VAL A 58 47.455 11.254 51.152 1.00 23.21 H new ATOM 0 HG22 VAL A 58 46.395 12.391 50.284 1.00 23.21 H new ATOM 0 HG23 VAL A 58 46.127 12.067 52.014 1.00 23.21 H new ATOM 887 N SER A 59 42.709 8.938 50.963 1.00 44.24 N ATOM 888 CA SER A 59 41.802 7.849 50.631 1.00 1.42 C ATOM 889 C SER A 59 40.485 8.385 50.058 1.00 21.22 C ATOM 890 O SER A 59 40.032 7.908 49.020 1.00 72.32 O ATOM 891 CB SER A 59 41.567 6.968 51.864 1.00 51.24 C ATOM 892 OG SER A 59 40.856 5.801 51.508 1.00 12.32 O ATOM 0 H SER A 59 43.002 8.943 51.940 1.00 44.24 H new ATOM 0 HA SER A 59 42.260 7.233 49.857 1.00 1.42 H new ATOM 0 HB2 SER A 59 42.523 6.696 52.312 1.00 51.24 H new ATOM 0 HB3 SER A 59 41.009 7.526 52.616 1.00 51.24 H new ATOM 0 HG SER A 59 40.715 5.248 52.305 1.00 12.32 H new ATOM 898 N LYS A 60 39.881 9.380 50.721 1.00 51.21 N ATOM 899 CA LYS A 60 38.639 10.003 50.271 1.00 52.50 C ATOM 900 C LYS A 60 38.828 10.733 48.937 1.00 11.34 C ATOM 901 O LYS A 60 37.959 10.655 48.069 1.00 43.22 O ATOM 902 CB LYS A 60 38.117 10.971 51.342 1.00 35.03 C ATOM 903 CG LYS A 60 37.631 10.226 52.591 1.00 2.04 C ATOM 904 CD LYS A 60 37.195 11.222 53.671 1.00 65.41 C ATOM 905 CE LYS A 60 36.787 10.489 54.954 1.00 3.12 C ATOM 906 NZ LYS A 60 36.305 11.427 55.984 1.00 11.45 N ATOM 0 H LYS A 60 40.246 9.774 51.588 1.00 51.21 H new ATOM 0 HA LYS A 60 37.904 9.214 50.114 1.00 52.50 H new ATOM 0 HB2 LYS A 60 38.908 11.668 51.619 1.00 35.03 H new ATOM 0 HB3 LYS A 60 37.300 11.563 50.930 1.00 35.03 H new ATOM 0 HG2 LYS A 60 36.798 9.573 52.332 1.00 2.04 H new ATOM 0 HG3 LYS A 60 38.428 9.589 52.975 1.00 2.04 H new ATOM 0 HD2 LYS A 60 38.010 11.913 53.885 1.00 65.41 H new ATOM 0 HD3 LYS A 60 36.359 11.818 53.306 1.00 65.41 H new ATOM 0 HE2 LYS A 60 36.005 9.764 54.727 1.00 3.12 H new ATOM 0 HE3 LYS A 60 37.639 9.929 55.341 1.00 3.12 H new ATOM 0 HZ1 LYS A 60 36.038 10.897 56.838 1.00 11.45 H new ATOM 0 HZ2 LYS A 60 37.060 12.103 56.218 1.00 11.45 H new ATOM 0 HZ3 LYS A 60 35.477 11.943 55.623 1.00 11.45 H new ATOM 920 N ILE A 61 39.943 11.458 48.786 1.00 23.33 N ATOM 921 CA ILE A 61 40.255 12.261 47.609 1.00 50.22 C ATOM 922 C ILE A 61 40.460 11.351 46.394 1.00 51.44 C ATOM 923 O ILE A 61 39.744 11.481 45.407 1.00 2.44 O ATOM 924 CB ILE A 61 41.473 13.162 47.909 1.00 71.53 C ATOM 925 CG1 ILE A 61 41.042 14.303 48.851 1.00 61.40 C ATOM 926 CG2 ILE A 61 42.089 13.758 46.634 1.00 1.03 C ATOM 927 CD1 ILE A 61 42.234 15.011 49.506 1.00 40.02 C ATOM 0 H ILE A 61 40.669 11.500 49.501 1.00 23.33 H new ATOM 0 HA ILE A 61 39.422 12.921 47.365 1.00 50.22 H new ATOM 0 HB ILE A 61 42.234 12.540 48.380 1.00 71.53 H new ATOM 0 HG12 ILE A 61 40.456 15.031 48.289 1.00 61.40 H new ATOM 0 HG13 ILE A 61 40.391 13.901 49.628 1.00 61.40 H new ATOM 0 HG21 ILE A 61 42.941 14.383 46.900 1.00 1.03 H new ATOM 0 HG22 ILE A 61 42.420 12.952 45.979 1.00 1.03 H new ATOM 0 HG23 ILE A 61 41.343 14.362 46.118 1.00 1.03 H new ATOM 0 HD11 ILE A 61 41.872 15.805 50.159 1.00 40.02 H new ATOM 0 HD12 ILE A 61 42.807 14.292 50.092 1.00 40.02 H new ATOM 0 HD13 ILE A 61 42.872 15.439 48.733 1.00 40.02 H new ATOM 939 N LEU A 62 41.436 10.442 46.458 1.00 74.20 N ATOM 940 CA LEU A 62 41.764 9.542 45.361 1.00 71.25 C ATOM 941 C LEU A 62 40.586 8.598 45.108 1.00 33.55 C ATOM 942 O LEU A 62 40.069 8.535 43.993 1.00 23.14 O ATOM 943 CB LEU A 62 43.079 8.813 45.690 1.00 61.01 C ATOM 944 CG LEU A 62 43.726 7.998 44.553 1.00 21.14 C ATOM 945 CD1 LEU A 62 43.012 6.670 44.278 1.00 45.11 C ATOM 946 CD2 LEU A 62 43.861 8.797 43.251 1.00 22.30 C ATOM 0 H LEU A 62 42.023 10.313 47.282 1.00 74.20 H new ATOM 0 HA LEU A 62 41.927 10.089 44.432 1.00 71.25 H new ATOM 0 HB2 LEU A 62 43.802 9.554 46.030 1.00 61.01 H new ATOM 0 HB3 LEU A 62 42.894 8.140 46.527 1.00 61.01 H new ATOM 0 HG LEU A 62 44.727 7.768 44.918 1.00 21.14 H new ATOM 0 HD11 LEU A 62 43.518 6.146 43.467 1.00 45.11 H new ATOM 0 HD12 LEU A 62 43.032 6.053 45.177 1.00 45.11 H new ATOM 0 HD13 LEU A 62 41.978 6.865 43.995 1.00 45.11 H new ATOM 0 HD21 LEU A 62 44.323 8.172 42.487 1.00 22.30 H new ATOM 0 HD22 LEU A 62 42.874 9.113 42.914 1.00 22.30 H new ATOM 0 HD23 LEU A 62 44.483 9.675 43.426 1.00 22.30 H new ATOM 958 N GLY A 63 40.145 7.890 46.153 1.00 35.15 N ATOM 959 CA GLY A 63 39.026 6.968 46.094 1.00 11.31 C ATOM 960 C GLY A 63 37.711 7.728 46.240 1.00 10.44 C ATOM 961 O GLY A 63 37.155 7.797 47.334 1.00 11.52 O ATOM 0 H GLY A 63 40.570 7.949 47.078 1.00 35.15 H new ATOM 0 HA2 GLY A 63 39.040 6.428 45.147 1.00 11.31 H new ATOM 0 HA3 GLY A 63 39.115 6.225 46.886 1.00 11.31 H new ATOM 1314 N LYS A 87 -0.867 -0.502 6.256 1.00 40.12 N ATOM 1315 CA LYS A 87 -1.068 -0.977 4.892 1.00 22.03 C ATOM 1316 C LYS A 87 -2.011 -2.182 4.804 1.00 14.42 C ATOM 1317 O LYS A 87 -2.601 -2.420 3.756 1.00 22.11 O ATOM 1318 CB LYS A 87 0.299 -1.279 4.269 1.00 11.31 C ATOM 1319 CG LYS A 87 0.182 -1.690 2.794 1.00 41.03 C ATOM 1320 CD LYS A 87 1.476 -1.443 2.008 1.00 14.53 C ATOM 1321 CE LYS A 87 1.595 0.030 1.594 1.00 22.42 C ATOM 1322 NZ LYS A 87 2.835 0.290 0.842 1.00 23.22 N ATOM 0 HA LYS A 87 -1.565 -0.189 4.327 1.00 22.03 H new ATOM 0 HB2 LYS A 87 0.937 -0.399 4.350 1.00 11.31 H new ATOM 0 HB3 LYS A 87 0.785 -2.077 4.830 1.00 11.31 H new ATOM 0 HG2 LYS A 87 -0.079 -2.747 2.735 1.00 41.03 H new ATOM 0 HG3 LYS A 87 -0.633 -1.134 2.329 1.00 41.03 H new ATOM 0 HD2 LYS A 87 2.335 -1.724 2.617 1.00 14.53 H new ATOM 0 HD3 LYS A 87 1.494 -2.076 1.121 1.00 14.53 H new ATOM 0 HE2 LYS A 87 0.735 0.306 0.984 1.00 22.42 H new ATOM 0 HE3 LYS A 87 1.570 0.660 2.483 1.00 22.42 H new ATOM 0 HZ1 LYS A 87 2.878 1.296 0.581 1.00 23.22 H new ATOM 0 HZ2 LYS A 87 3.656 0.050 1.433 1.00 23.22 H new ATOM 0 HZ3 LYS A 87 2.847 -0.292 -0.020 1.00 23.22 H new ATOM 1336 N VAL A 88 -2.189 -2.927 5.899 1.00 54.14 N ATOM 1337 CA VAL A 88 -3.173 -4.001 5.984 1.00 73.30 C ATOM 1338 C VAL A 88 -4.584 -3.494 5.624 1.00 33.54 C ATOM 1339 O VAL A 88 -5.366 -4.234 5.030 1.00 65.34 O ATOM 1340 CB VAL A 88 -3.106 -4.663 7.372 1.00 35.51 C ATOM 1341 CG1 VAL A 88 -4.065 -5.855 7.455 1.00 43.24 C ATOM 1342 CG2 VAL A 88 -1.694 -5.198 7.665 1.00 73.11 C ATOM 0 H VAL A 88 -1.649 -2.798 6.755 1.00 54.14 H new ATOM 0 HA VAL A 88 -2.935 -4.768 5.247 1.00 73.30 H new ATOM 0 HB VAL A 88 -3.380 -3.896 8.096 1.00 35.51 H new ATOM 0 HG11 VAL A 88 -4.000 -6.306 8.445 1.00 43.24 H new ATOM 0 HG12 VAL A 88 -5.085 -5.514 7.278 1.00 43.24 H new ATOM 0 HG13 VAL A 88 -3.793 -6.594 6.701 1.00 43.24 H new ATOM 0 HG21 VAL A 88 -1.678 -5.660 8.652 1.00 73.11 H new ATOM 0 HG22 VAL A 88 -1.422 -5.939 6.913 1.00 73.11 H new ATOM 0 HG23 VAL A 88 -0.980 -4.375 7.638 1.00 73.11 H new ATOM 1352 N VAL A 89 -4.900 -2.226 5.925 1.00 5.03 N ATOM 1353 CA VAL A 89 -6.134 -1.573 5.493 1.00 14.04 C ATOM 1354 C VAL A 89 -6.227 -1.552 3.962 1.00 33.23 C ATOM 1355 O VAL A 89 -7.288 -1.838 3.407 1.00 35.41 O ATOM 1356 CB VAL A 89 -6.211 -0.150 6.076 1.00 34.24 C ATOM 1357 CG1 VAL A 89 -7.479 0.577 5.612 1.00 21.12 C ATOM 1358 CG2 VAL A 89 -6.214 -0.182 7.611 1.00 32.41 C ATOM 0 H VAL A 89 -4.295 -1.622 6.482 1.00 5.03 H new ATOM 0 HA VAL A 89 -6.984 -2.142 5.868 1.00 14.04 H new ATOM 0 HB VAL A 89 -5.331 0.382 5.716 1.00 34.24 H new ATOM 0 HG11 VAL A 89 -7.502 1.578 6.042 1.00 21.12 H new ATOM 0 HG12 VAL A 89 -7.480 0.649 4.524 1.00 21.12 H new ATOM 0 HG13 VAL A 89 -8.358 0.021 5.940 1.00 21.12 H new ATOM 0 HG21 VAL A 89 -6.269 0.836 7.996 1.00 32.41 H new ATOM 0 HG22 VAL A 89 -7.076 -0.750 7.961 1.00 32.41 H new ATOM 0 HG23 VAL A 89 -5.299 -0.656 7.967 1.00 32.41 H new ATOM 1368 N GLU A 90 -5.124 -1.229 3.275 1.00 21.20 N ATOM 1369 CA GLU A 90 -5.069 -1.260 1.820 1.00 1.51 C ATOM 1370 C GLU A 90 -5.324 -2.686 1.323 1.00 52.55 C ATOM 1371 O GLU A 90 -6.045 -2.864 0.346 1.00 51.51 O ATOM 1372 CB GLU A 90 -3.732 -0.721 1.290 1.00 3.23 C ATOM 1373 CG GLU A 90 -3.449 0.709 1.769 1.00 72.32 C ATOM 1374 CD GLU A 90 -2.045 1.165 1.377 1.00 65.42 C ATOM 1375 OE1 GLU A 90 -1.734 1.086 0.168 1.00 32.44 O ATOM 1376 OE2 GLU A 90 -1.297 1.572 2.293 1.00 21.33 O ATOM 0 H GLU A 90 -4.251 -0.941 3.716 1.00 21.20 H new ATOM 0 HA GLU A 90 -5.850 -0.605 1.434 1.00 1.51 H new ATOM 0 HB2 GLU A 90 -2.924 -1.377 1.615 1.00 3.23 H new ATOM 0 HB3 GLU A 90 -3.741 -0.742 0.200 1.00 3.23 H new ATOM 0 HG2 GLU A 90 -4.186 1.389 1.342 1.00 72.32 H new ATOM 0 HG3 GLU A 90 -3.559 0.759 2.852 1.00 72.32 H new ATOM 1383 N LYS A 91 -4.768 -3.695 2.013 1.00 13.44 N ATOM 1384 CA LYS A 91 -4.962 -5.098 1.666 1.00 44.42 C ATOM 1385 C LYS A 91 -6.429 -5.528 1.782 1.00 54.23 C ATOM 1386 O LYS A 91 -6.884 -6.315 0.955 1.00 32.54 O ATOM 1387 CB LYS A 91 -4.059 -6.024 2.487 1.00 32.14 C ATOM 1388 CG LYS A 91 -2.572 -5.673 2.333 1.00 43.03 C ATOM 1389 CD LYS A 91 -1.657 -6.774 2.890 1.00 13.23 C ATOM 1390 CE LYS A 91 -1.202 -7.787 1.828 1.00 2.24 C ATOM 1391 NZ LYS A 91 -2.319 -8.538 1.228 1.00 3.00 N ATOM 0 H LYS A 91 -4.171 -3.552 2.828 1.00 13.44 H new ATOM 0 HA LYS A 91 -4.673 -5.193 0.619 1.00 44.42 H new ATOM 0 HB2 LYS A 91 -4.338 -5.961 3.539 1.00 32.14 H new ATOM 0 HB3 LYS A 91 -4.221 -7.056 2.175 1.00 32.14 H new ATOM 0 HG2 LYS A 91 -2.345 -5.513 1.279 1.00 43.03 H new ATOM 0 HG3 LYS A 91 -2.366 -4.735 2.849 1.00 43.03 H new ATOM 0 HD2 LYS A 91 -0.778 -6.312 3.340 1.00 13.23 H new ATOM 0 HD3 LYS A 91 -2.182 -7.304 3.685 1.00 13.23 H new ATOM 0 HE2 LYS A 91 -0.662 -7.261 1.041 1.00 2.24 H new ATOM 0 HE3 LYS A 91 -0.502 -8.489 2.281 1.00 2.24 H new ATOM 0 HZ1 LYS A 91 -1.943 -9.295 0.622 1.00 3.00 H new ATOM 0 HZ2 LYS A 91 -2.902 -8.955 1.982 1.00 3.00 H new ATOM 0 HZ3 LYS A 91 -2.902 -7.895 0.656 1.00 3.00 H new ATOM 1405 N ILE A 92 -7.184 -5.016 2.769 1.00 33.21 N ATOM 1406 CA ILE A 92 -8.621 -5.240 2.820 1.00 12.24 C ATOM 1407 C ILE A 92 -9.265 -4.667 1.555 1.00 3.45 C ATOM 1408 O ILE A 92 -10.092 -5.330 0.936 1.00 12.02 O ATOM 1409 CB ILE A 92 -9.219 -4.591 4.077 1.00 31.22 C ATOM 1410 CG1 ILE A 92 -8.693 -5.221 5.377 1.00 71.32 C ATOM 1411 CG2 ILE A 92 -10.749 -4.599 4.014 1.00 63.12 C ATOM 1412 CD1 ILE A 92 -9.383 -6.525 5.787 1.00 21.41 C ATOM 0 H ILE A 92 -6.817 -4.449 3.533 1.00 33.21 H new ATOM 0 HA ILE A 92 -8.821 -6.310 2.868 1.00 12.24 H new ATOM 0 HB ILE A 92 -8.887 -3.553 4.094 1.00 31.22 H new ATOM 0 HG12 ILE A 92 -7.626 -5.411 5.265 1.00 71.32 H new ATOM 0 HG13 ILE A 92 -8.805 -4.498 6.185 1.00 71.32 H new ATOM 0 HG21 ILE A 92 -11.153 -4.135 4.914 1.00 63.12 H new ATOM 0 HG22 ILE A 92 -11.080 -4.041 3.138 1.00 63.12 H new ATOM 0 HG23 ILE A 92 -11.105 -5.627 3.945 1.00 63.12 H new ATOM 0 HD11 ILE A 92 -8.944 -6.893 6.715 1.00 21.41 H new ATOM 0 HD12 ILE A 92 -10.447 -6.342 5.936 1.00 21.41 H new ATOM 0 HD13 ILE A 92 -9.249 -7.270 5.002 1.00 21.41 H new ATOM 1424 N GLY A 93 -8.879 -3.441 1.178 1.00 25.21 N ATOM 1425 CA GLY A 93 -9.339 -2.787 -0.038 1.00 32.24 C ATOM 1426 C GLY A 93 -9.095 -3.659 -1.269 1.00 52.01 C ATOM 1427 O GLY A 93 -10.013 -3.887 -2.055 1.00 63.53 O ATOM 0 H GLY A 93 -8.229 -2.874 1.722 1.00 25.21 H new ATOM 0 HA2 GLY A 93 -10.403 -2.565 0.047 1.00 32.24 H new ATOM 0 HA3 GLY A 93 -8.823 -1.834 -0.158 1.00 32.24 H new ATOM 1431 N ASP A 94 -7.867 -4.166 -1.424 1.00 73.20 N ATOM 1432 CA ASP A 94 -7.480 -5.040 -2.519 1.00 44.14 C ATOM 1433 C ASP A 94 -8.306 -6.315 -2.536 1.00 44.33 C ATOM 1434 O ASP A 94 -8.675 -6.791 -3.604 1.00 54.31 O ATOM 1435 CB ASP A 94 -5.999 -5.403 -2.421 1.00 71.15 C ATOM 1436 CG ASP A 94 -5.086 -4.188 -2.546 1.00 32.02 C ATOM 1437 OD1 ASP A 94 -5.393 -3.326 -3.398 1.00 34.14 O ATOM 1438 OD2 ASP A 94 -4.088 -4.149 -1.791 1.00 53.54 O ATOM 0 H ASP A 94 -7.105 -3.972 -0.775 1.00 73.20 H new ATOM 0 HA ASP A 94 -7.663 -4.494 -3.445 1.00 44.14 H new ATOM 0 HB2 ASP A 94 -5.812 -5.896 -1.467 1.00 71.15 H new ATOM 0 HB3 ASP A 94 -5.752 -6.120 -3.204 1.00 71.15 H new ATOM 1443 N TYR A 95 -8.579 -6.895 -1.366 1.00 14.32 N ATOM 1444 CA TYR A 95 -9.340 -8.125 -1.277 1.00 21.33 C ATOM 1445 C TYR A 95 -10.833 -7.867 -1.536 1.00 22.14 C ATOM 1446 O TYR A 95 -11.519 -8.749 -2.047 1.00 70.13 O ATOM 1447 CB TYR A 95 -9.026 -8.808 0.055 1.00 32.33 C ATOM 1448 CG TYR A 95 -7.616 -9.358 0.227 1.00 34.51 C ATOM 1449 CD1 TYR A 95 -6.608 -9.164 -0.741 1.00 24.51 C ATOM 1450 CD2 TYR A 95 -7.327 -10.126 1.369 1.00 73.14 C ATOM 1451 CE1 TYR A 95 -5.327 -9.700 -0.547 1.00 23.13 C ATOM 1452 CE2 TYR A 95 -6.077 -10.753 1.510 1.00 25.44 C ATOM 1453 CZ TYR A 95 -5.062 -10.512 0.565 1.00 73.33 C ATOM 1454 OH TYR A 95 -3.815 -11.044 0.713 1.00 31.33 O ATOM 0 H TYR A 95 -8.278 -6.523 -0.465 1.00 14.32 H new ATOM 0 HA TYR A 95 -9.045 -8.822 -2.061 1.00 21.33 H new ATOM 0 HB2 TYR A 95 -9.212 -8.093 0.856 1.00 32.33 H new ATOM 0 HB3 TYR A 95 -9.730 -9.629 0.191 1.00 32.33 H new ATOM 0 HD1 TYR A 95 -6.824 -8.600 -1.636 1.00 24.51 H new ATOM 0 HD2 TYR A 95 -8.071 -10.235 2.144 1.00 73.14 H new ATOM 0 HE1 TYR A 95 -4.541 -9.487 -1.257 1.00 23.13 H new ATOM 0 HE2 TYR A 95 -5.896 -11.418 2.341 1.00 25.44 H new ATOM 0 HH TYR A 95 -3.886 -12.012 0.851 1.00 31.33 H new ATOM 1464 N LYS A 96 -11.329 -6.648 -1.284 1.00 31.23 N ATOM 1465 CA LYS A 96 -12.577 -6.166 -1.854 1.00 55.41 C ATOM 1466 C LYS A 96 -12.508 -6.161 -3.384 1.00 33.12 C ATOM 1467 O LYS A 96 -13.421 -6.654 -4.038 1.00 61.00 O ATOM 1468 CB LYS A 96 -12.896 -4.760 -1.312 1.00 35.44 C ATOM 1469 CG LYS A 96 -14.343 -4.632 -0.825 1.00 53.13 C ATOM 1470 CD LYS A 96 -14.648 -5.510 0.396 1.00 42.14 C ATOM 1471 CE LYS A 96 -13.707 -5.300 1.590 1.00 1.12 C ATOM 1472 NZ LYS A 96 -13.597 -3.882 1.968 1.00 31.32 N ATOM 0 H LYS A 96 -10.868 -5.972 -0.675 1.00 31.23 H new ATOM 0 HA LYS A 96 -13.381 -6.841 -1.559 1.00 55.41 H new ATOM 0 HB2 LYS A 96 -12.218 -4.529 -0.490 1.00 35.44 H new ATOM 0 HB3 LYS A 96 -12.713 -4.023 -2.094 1.00 35.44 H new ATOM 0 HG2 LYS A 96 -14.545 -3.590 -0.575 1.00 53.13 H new ATOM 0 HG3 LYS A 96 -15.018 -4.902 -1.637 1.00 53.13 H new ATOM 0 HD2 LYS A 96 -15.671 -5.316 0.719 1.00 42.14 H new ATOM 0 HD3 LYS A 96 -14.602 -6.556 0.094 1.00 42.14 H new ATOM 0 HE2 LYS A 96 -14.070 -5.874 2.442 1.00 1.12 H new ATOM 0 HE3 LYS A 96 -12.718 -5.686 1.343 1.00 1.12 H new ATOM 0 HZ1 LYS A 96 -13.617 -3.796 3.004 1.00 31.32 H new ATOM 0 HZ2 LYS A 96 -12.702 -3.495 1.606 1.00 31.32 H new ATOM 0 HZ3 LYS A 96 -14.394 -3.352 1.561 1.00 31.32 H new ATOM 1486 N ARG A 97 -11.434 -5.608 -3.960 1.00 61.40 N ATOM 1487 CA ARG A 97 -11.269 -5.561 -5.407 1.00 23.31 C ATOM 1488 C ARG A 97 -11.234 -6.976 -6.006 1.00 40.11 C ATOM 1489 O ARG A 97 -11.851 -7.204 -7.044 1.00 75.24 O ATOM 1490 CB ARG A 97 -10.028 -4.744 -5.798 1.00 43.20 C ATOM 1491 CG ARG A 97 -10.193 -3.250 -5.481 1.00 25.11 C ATOM 1492 CD ARG A 97 -8.861 -2.495 -5.587 1.00 13.10 C ATOM 1493 NE ARG A 97 -8.206 -2.730 -6.883 1.00 43.24 N ATOM 1494 CZ ARG A 97 -7.009 -3.307 -7.099 1.00 44.20 C ATOM 1495 NH1 ARG A 97 -6.185 -3.654 -6.099 1.00 44.40 N ATOM 1496 NH2 ARG A 97 -6.627 -3.541 -8.362 1.00 32.34 N ATOM 0 H ARG A 97 -10.666 -5.186 -3.438 1.00 61.40 H new ATOM 0 HA ARG A 97 -12.136 -5.052 -5.829 1.00 23.31 H new ATOM 0 HB2 ARG A 97 -9.158 -5.132 -5.268 1.00 43.20 H new ATOM 0 HB3 ARG A 97 -9.834 -4.868 -6.863 1.00 43.20 H new ATOM 0 HG2 ARG A 97 -10.916 -2.810 -6.168 1.00 25.11 H new ATOM 0 HG3 ARG A 97 -10.598 -3.134 -4.476 1.00 25.11 H new ATOM 0 HD2 ARG A 97 -9.036 -1.427 -5.456 1.00 13.10 H new ATOM 0 HD3 ARG A 97 -8.198 -2.811 -4.781 1.00 13.10 H new ATOM 0 HE ARG A 97 -8.716 -2.421 -7.711 1.00 43.24 H new ATOM 0 HH11 ARG A 97 -6.457 -3.483 -5.131 1.00 44.40 H new ATOM 0 HH12 ARG A 97 -5.286 -4.089 -6.307 1.00 44.40 H new ATOM 0 HH21 ARG A 97 -7.239 -3.283 -9.136 1.00 32.34 H new ATOM 0 HH22 ARG A 97 -5.724 -3.977 -8.549 1.00 32.34 H new ATOM 1510 N GLN A 98 -10.541 -7.925 -5.357 1.00 44.40 N ATOM 1511 CA GLN A 98 -10.428 -9.294 -5.845 1.00 21.03 C ATOM 1512 C GLN A 98 -11.765 -10.035 -5.697 1.00 5.43 C ATOM 1513 O GLN A 98 -12.139 -10.805 -6.579 1.00 71.20 O ATOM 1514 CB GLN A 98 -9.235 -10.029 -5.196 1.00 30.21 C ATOM 1515 CG GLN A 98 -9.594 -10.906 -3.988 1.00 61.25 C ATOM 1516 CD GLN A 98 -8.372 -11.382 -3.204 1.00 22.33 C ATOM 1517 OE1 GLN A 98 -7.264 -11.450 -3.731 1.00 73.13 O ATOM 1518 NE2 GLN A 98 -8.571 -11.707 -1.925 1.00 64.31 N ATOM 0 H GLN A 98 -10.046 -7.757 -4.481 1.00 44.40 H new ATOM 0 HA GLN A 98 -10.208 -9.270 -6.912 1.00 21.03 H new ATOM 0 HB2 GLN A 98 -8.758 -10.654 -5.951 1.00 30.21 H new ATOM 0 HB3 GLN A 98 -8.498 -9.289 -4.883 1.00 30.21 H new ATOM 0 HG2 GLN A 98 -10.249 -10.344 -3.322 1.00 61.25 H new ATOM 0 HG3 GLN A 98 -10.157 -11.774 -4.332 1.00 61.25 H new ATOM 0 HE21 GLN A 98 -9.505 -11.638 -1.521 1.00 64.31 H new ATOM 0 HE22 GLN A 98 -7.789 -12.024 -1.352 1.00 64.31 H new ATOM 1527 N ASN A 99 -12.471 -9.805 -4.579 1.00 21.23 N ATOM 1528 CA ASN A 99 -13.714 -10.468 -4.217 1.00 5.30 C ATOM 1529 C ASN A 99 -14.659 -9.443 -3.572 1.00 31.12 C ATOM 1530 O ASN A 99 -14.637 -9.276 -2.353 1.00 23.42 O ATOM 1531 CB ASN A 99 -13.383 -11.629 -3.270 1.00 3.23 C ATOM 1532 CG ASN A 99 -14.599 -12.471 -2.901 1.00 3.43 C ATOM 1533 OD1 ASN A 99 -15.740 -12.022 -2.969 1.00 52.45 O ATOM 1534 ND2 ASN A 99 -14.346 -13.713 -2.496 1.00 42.44 N ATOM 0 H ASN A 99 -12.172 -9.124 -3.881 1.00 21.23 H new ATOM 0 HA ASN A 99 -14.220 -10.875 -5.093 1.00 5.30 H new ATOM 0 HB2 ASN A 99 -12.635 -12.269 -3.738 1.00 3.23 H new ATOM 0 HB3 ASN A 99 -12.936 -11.230 -2.359 1.00 3.23 H new ATOM 0 HD21 ASN A 99 -15.114 -14.329 -2.229 1.00 42.44 H new ATOM 0 HD22 ASN A 99 -13.384 -14.049 -2.453 1.00 42.44 H new ATOM 1541 N PRO A 100 -15.490 -8.747 -4.366 1.00 74.33 N ATOM 1542 CA PRO A 100 -16.366 -7.690 -3.875 1.00 62.44 C ATOM 1543 C PRO A 100 -17.596 -8.243 -3.150 1.00 71.43 C ATOM 1544 O PRO A 100 -18.121 -7.577 -2.259 1.00 23.43 O ATOM 1545 CB PRO A 100 -16.749 -6.878 -5.113 1.00 54.23 C ATOM 1546 CG PRO A 100 -16.695 -7.908 -6.241 1.00 34.00 C ATOM 1547 CD PRO A 100 -15.553 -8.831 -5.817 1.00 32.10 C ATOM 0 HA PRO A 100 -15.864 -7.074 -3.129 1.00 62.44 H new ATOM 0 HB2 PRO A 100 -17.743 -6.440 -5.015 1.00 54.23 H new ATOM 0 HB3 PRO A 100 -16.054 -6.056 -5.285 1.00 54.23 H new ATOM 0 HG2 PRO A 100 -17.636 -8.450 -6.337 1.00 34.00 H new ATOM 0 HG3 PRO A 100 -16.497 -7.439 -7.205 1.00 34.00 H new ATOM 0 HD2 PRO A 100 -15.738 -9.855 -6.141 1.00 32.10 H new ATOM 0 HD3 PRO A 100 -14.611 -8.519 -6.268 1.00 32.10 H new ATOM 1555 N THR A 101 -18.059 -9.443 -3.523 1.00 2.41 N ATOM 1556 CA THR A 101 -19.218 -10.078 -2.911 1.00 24.20 C ATOM 1557 C THR A 101 -18.972 -10.359 -1.426 1.00 41.02 C ATOM 1558 O THR A 101 -19.876 -10.161 -0.614 1.00 5.41 O ATOM 1559 CB THR A 101 -19.600 -11.351 -3.680 1.00 5.04 C ATOM 1560 OG1 THR A 101 -18.488 -12.215 -3.779 1.00 35.04 O ATOM 1561 CG2 THR A 101 -20.104 -11.013 -5.088 1.00 31.43 C ATOM 0 H THR A 101 -17.632 -9.999 -4.264 1.00 2.41 H new ATOM 0 HA THR A 101 -20.062 -9.391 -2.969 1.00 24.20 H new ATOM 0 HB THR A 101 -20.400 -11.845 -3.129 1.00 5.04 H new ATOM 0 HG1 THR A 101 -17.707 -11.792 -3.365 1.00 35.04 H new ATOM 0 HG21 THR A 101 -20.368 -11.933 -5.611 1.00 31.43 H new ATOM 0 HG22 THR A 101 -20.983 -10.372 -5.016 1.00 31.43 H new ATOM 0 HG23 THR A 101 -19.321 -10.494 -5.640 1.00 31.43 H new ATOM 1569 N MET A 102 -17.754 -10.784 -1.060 1.00 11.13 N ATOM 1570 CA MET A 102 -17.365 -10.905 0.337 1.00 62.40 C ATOM 1571 C MET A 102 -17.384 -9.536 1.017 1.00 53.23 C ATOM 1572 O MET A 102 -16.808 -8.567 0.524 1.00 0.02 O ATOM 1573 CB MET A 102 -15.988 -11.566 0.474 1.00 14.24 C ATOM 1574 CG MET A 102 -16.130 -13.083 0.597 1.00 11.02 C ATOM 1575 SD MET A 102 -14.579 -14.002 0.833 1.00 13.21 S ATOM 1576 CE MET A 102 -14.161 -13.523 2.532 1.00 12.34 C ATOM 0 H MET A 102 -17.024 -11.049 -1.722 1.00 11.13 H new ATOM 0 HA MET A 102 -18.090 -11.547 0.837 1.00 62.40 H new ATOM 0 HB2 MET A 102 -15.373 -11.322 -0.392 1.00 14.24 H new ATOM 0 HB3 MET A 102 -15.474 -11.171 1.351 1.00 14.24 H new ATOM 0 HG2 MET A 102 -16.791 -13.301 1.435 1.00 11.02 H new ATOM 0 HG3 MET A 102 -16.620 -13.458 -0.302 1.00 11.02 H new ATOM 0 HE1 MET A 102 -13.239 -14.020 2.834 1.00 12.34 H new ATOM 0 HE2 MET A 102 -14.024 -12.443 2.582 1.00 12.34 H new ATOM 0 HE3 MET A 102 -14.968 -13.818 3.202 1.00 12.34 H new ATOM 1586 N PHE A 103 -18.066 -9.487 2.164 1.00 73.33 N ATOM 1587 CA PHE A 103 -18.329 -8.284 2.941 1.00 0.10 C ATOM 1588 C PHE A 103 -17.109 -7.876 3.770 1.00 64.44 C ATOM 1589 O PHE A 103 -16.141 -8.622 3.869 1.00 24.54 O ATOM 1590 CB PHE A 103 -19.537 -8.541 3.846 1.00 34.14 C ATOM 1591 CG PHE A 103 -20.814 -8.845 3.088 1.00 22.23 C ATOM 1592 CD1 PHE A 103 -21.630 -7.790 2.641 1.00 0.21 C ATOM 1593 CD2 PHE A 103 -21.158 -10.174 2.775 1.00 71.31 C ATOM 1594 CE1 PHE A 103 -22.780 -8.061 1.878 1.00 30.12 C ATOM 1595 CE2 PHE A 103 -22.302 -10.444 2.004 1.00 72.24 C ATOM 1596 CZ PHE A 103 -23.109 -9.387 1.550 1.00 52.23 C ATOM 0 H PHE A 103 -18.465 -10.323 2.591 1.00 73.33 H new ATOM 0 HA PHE A 103 -18.543 -7.459 2.262 1.00 0.10 H new ATOM 0 HB2 PHE A 103 -19.311 -9.376 4.509 1.00 34.14 H new ATOM 0 HB3 PHE A 103 -19.699 -7.667 4.477 1.00 34.14 H new ATOM 0 HD1 PHE A 103 -21.373 -6.770 2.884 1.00 0.21 H new ATOM 0 HD2 PHE A 103 -20.542 -10.988 3.128 1.00 71.31 H new ATOM 0 HE1 PHE A 103 -23.410 -7.250 1.544 1.00 30.12 H new ATOM 0 HE2 PHE A 103 -22.561 -11.464 1.761 1.00 72.24 H new ATOM 0 HZ PHE A 103 -23.982 -9.594 0.949 1.00 52.23 H new ATOM 1606 N ALA A 104 -17.167 -6.687 4.382 1.00 24.42 N ATOM 1607 CA ALA A 104 -16.103 -6.115 5.203 1.00 20.23 C ATOM 1608 C ALA A 104 -15.569 -7.108 6.242 1.00 53.30 C ATOM 1609 O ALA A 104 -14.359 -7.308 6.350 1.00 3.22 O ATOM 1610 CB ALA A 104 -16.646 -4.852 5.881 1.00 30.01 C ATOM 0 H ALA A 104 -17.984 -6.080 4.315 1.00 24.42 H new ATOM 0 HA ALA A 104 -15.258 -5.867 4.561 1.00 20.23 H new ATOM 0 HB1 ALA A 104 -15.867 -4.408 6.500 1.00 30.01 H new ATOM 0 HB2 ALA A 104 -16.957 -4.136 5.120 1.00 30.01 H new ATOM 0 HB3 ALA A 104 -17.501 -5.113 6.505 1.00 30.01 H new ATOM 1616 N TRP A 105 -16.479 -7.735 6.991 1.00 62.41 N ATOM 1617 CA TRP A 105 -16.171 -8.674 8.057 1.00 33.32 C ATOM 1618 C TRP A 105 -15.725 -10.038 7.513 1.00 72.42 C ATOM 1619 O TRP A 105 -15.093 -10.801 8.241 1.00 65.00 O ATOM 1620 CB TRP A 105 -17.412 -8.797 8.948 1.00 2.13 C ATOM 1621 CG TRP A 105 -18.671 -9.147 8.216 1.00 75.14 C ATOM 1622 CD1 TRP A 105 -18.986 -10.387 7.794 1.00 51.22 C ATOM 1623 CD2 TRP A 105 -19.725 -8.277 7.698 1.00 12.11 C ATOM 1624 NE1 TRP A 105 -20.159 -10.363 7.076 1.00 70.13 N ATOM 1625 CE2 TRP A 105 -20.662 -9.083 6.987 1.00 63.24 C ATOM 1626 CE3 TRP A 105 -19.964 -6.885 7.719 1.00 31.44 C ATOM 1627 CZ2 TRP A 105 -21.786 -8.542 6.344 1.00 50.53 C ATOM 1628 CZ3 TRP A 105 -21.081 -6.330 7.065 1.00 34.15 C ATOM 1629 CH2 TRP A 105 -21.994 -7.154 6.384 1.00 31.44 C ATOM 0 H TRP A 105 -17.481 -7.594 6.863 1.00 62.41 H new ATOM 0 HA TRP A 105 -15.329 -8.302 8.640 1.00 33.32 H new ATOM 0 HB2 TRP A 105 -17.225 -9.557 9.707 1.00 2.13 H new ATOM 0 HB3 TRP A 105 -17.562 -7.853 9.472 1.00 2.13 H new ATOM 0 HD1 TRP A 105 -18.401 -11.273 7.991 1.00 51.22 H new ATOM 0 HE1 TRP A 105 -20.599 -11.185 6.663 1.00 70.13 H new ATOM 0 HE3 TRP A 105 -19.279 -6.236 8.245 1.00 31.44 H new ATOM 0 HZ2 TRP A 105 -22.482 -9.185 5.825 1.00 50.53 H new ATOM 0 HZ3 TRP A 105 -21.238 -5.262 7.087 1.00 34.15 H new ATOM 0 HH2 TRP A 105 -22.853 -6.721 5.893 1.00 31.44 H new ATOM 1640 N GLU A 106 -16.038 -10.348 6.249 1.00 63.15 N ATOM 1641 CA GLU A 106 -15.634 -11.562 5.568 1.00 74.55 C ATOM 1642 C GLU A 106 -14.173 -11.395 5.131 1.00 14.43 C ATOM 1643 O GLU A 106 -13.335 -12.253 5.401 1.00 3.23 O ATOM 1644 CB GLU A 106 -16.587 -11.789 4.377 1.00 24.12 C ATOM 1645 CG GLU A 106 -17.408 -13.080 4.492 1.00 41.23 C ATOM 1646 CD GLU A 106 -18.532 -12.959 5.515 1.00 71.10 C ATOM 1647 OE1 GLU A 106 -19.561 -12.345 5.157 1.00 65.05 O ATOM 1648 OE2 GLU A 106 -18.347 -13.484 6.634 1.00 3.54 O ATOM 0 H GLU A 106 -16.599 -9.732 5.661 1.00 63.15 H new ATOM 0 HA GLU A 106 -15.695 -12.439 6.212 1.00 74.55 H new ATOM 0 HB2 GLU A 106 -17.267 -10.941 4.298 1.00 24.12 H new ATOM 0 HB3 GLU A 106 -16.005 -11.818 3.456 1.00 24.12 H new ATOM 0 HG2 GLU A 106 -17.831 -13.328 3.518 1.00 41.23 H new ATOM 0 HG3 GLU A 106 -16.751 -13.903 4.773 1.00 41.23 H new ATOM 1655 N ILE A 107 -13.861 -10.271 4.473 1.00 71.33 N ATOM 1656 CA ILE A 107 -12.521 -9.926 4.021 1.00 33.03 C ATOM 1657 C ILE A 107 -11.552 -9.729 5.193 1.00 11.12 C ATOM 1658 O ILE A 107 -10.357 -9.983 5.048 1.00 22.22 O ATOM 1659 CB ILE A 107 -12.574 -8.691 3.106 1.00 12.03 C ATOM 1660 CG1 ILE A 107 -13.462 -8.906 1.868 1.00 2.34 C ATOM 1661 CG2 ILE A 107 -11.162 -8.311 2.648 1.00 54.12 C ATOM 1662 CD1 ILE A 107 -12.953 -9.947 0.875 1.00 14.41 C ATOM 0 H ILE A 107 -14.557 -9.563 4.238 1.00 71.33 H new ATOM 0 HA ILE A 107 -12.131 -10.764 3.442 1.00 33.03 H new ATOM 0 HB ILE A 107 -13.013 -7.886 3.695 1.00 12.03 H new ATOM 0 HG12 ILE A 107 -14.457 -9.201 2.201 1.00 2.34 H new ATOM 0 HG13 ILE A 107 -13.570 -7.954 1.348 1.00 2.34 H new ATOM 0 HG21 ILE A 107 -11.213 -7.435 2.001 1.00 54.12 H new ATOM 0 HG22 ILE A 107 -10.546 -8.084 3.518 1.00 54.12 H new ATOM 0 HG23 ILE A 107 -10.721 -9.143 2.099 1.00 54.12 H new ATOM 0 HD11 ILE A 107 -13.649 -10.024 0.039 1.00 14.41 H new ATOM 0 HD12 ILE A 107 -11.973 -9.648 0.505 1.00 14.41 H new ATOM 0 HD13 ILE A 107 -12.874 -10.914 1.371 1.00 14.41 H new ATOM 1674 N ARG A 108 -12.053 -9.313 6.362 1.00 2.52 N ATOM 1675 CA ARG A 108 -11.276 -9.323 7.594 1.00 72.50 C ATOM 1676 C ARG A 108 -10.653 -10.713 7.810 1.00 52.40 C ATOM 1677 O ARG A 108 -9.455 -10.814 8.076 1.00 33.40 O ATOM 1678 CB ARG A 108 -12.186 -8.905 8.755 1.00 50.35 C ATOM 1679 CG ARG A 108 -11.417 -8.718 10.070 1.00 13.10 C ATOM 1680 CD ARG A 108 -12.358 -8.489 11.263 1.00 22.22 C ATOM 1681 NE ARG A 108 -13.469 -9.451 11.316 1.00 61.43 N ATOM 1682 CZ ARG A 108 -13.357 -10.790 11.322 1.00 1.44 C ATOM 1683 NH1 ARG A 108 -12.179 -11.388 11.539 1.00 11.24 N ATOM 1684 NH2 ARG A 108 -14.444 -11.532 11.078 1.00 53.22 N ATOM 0 H ARG A 108 -13.004 -8.963 6.474 1.00 2.52 H new ATOM 0 HA ARG A 108 -10.453 -8.611 7.535 1.00 72.50 H new ATOM 0 HB2 ARG A 108 -12.691 -7.974 8.498 1.00 50.35 H new ATOM 0 HB3 ARG A 108 -12.960 -9.660 8.895 1.00 50.35 H new ATOM 0 HG2 ARG A 108 -10.802 -9.598 10.258 1.00 13.10 H new ATOM 0 HG3 ARG A 108 -10.739 -7.870 9.975 1.00 13.10 H new ATOM 0 HD2 ARG A 108 -11.785 -8.554 12.188 1.00 22.22 H new ATOM 0 HD3 ARG A 108 -12.763 -7.478 11.210 1.00 22.22 H new ATOM 0 HE ARG A 108 -14.413 -9.066 11.352 1.00 61.43 H new ATOM 0 HH11 ARG A 108 -11.344 -10.826 11.704 1.00 11.24 H new ATOM 0 HH12 ARG A 108 -12.116 -12.406 11.539 1.00 11.24 H new ATOM 0 HH21 ARG A 108 -15.339 -11.080 10.891 1.00 53.22 H new ATOM 0 HH22 ARG A 108 -14.377 -12.550 11.079 1.00 53.22 H new ATOM 1698 N ASP A 109 -11.451 -11.779 7.649 1.00 20.01 N ATOM 1699 CA ASP A 109 -10.993 -13.161 7.759 1.00 12.22 C ATOM 1700 C ASP A 109 -10.172 -13.616 6.546 1.00 71.43 C ATOM 1701 O ASP A 109 -9.317 -14.482 6.705 1.00 72.42 O ATOM 1702 CB ASP A 109 -12.166 -14.117 8.004 1.00 3.04 C ATOM 1703 CG ASP A 109 -12.869 -13.860 9.332 1.00 61.52 C ATOM 1704 OD1 ASP A 109 -12.169 -13.878 10.368 1.00 11.24 O ATOM 1705 OD2 ASP A 109 -14.100 -13.648 9.301 1.00 64.14 O ATOM 0 H ASP A 109 -12.445 -11.698 7.436 1.00 20.01 H new ATOM 0 HA ASP A 109 -10.329 -13.193 8.622 1.00 12.22 H new ATOM 0 HB2 ASP A 109 -12.886 -14.017 7.192 1.00 3.04 H new ATOM 0 HB3 ASP A 109 -11.802 -15.144 7.983 1.00 3.04 H new ATOM 1710 N ARG A 110 -10.408 -13.058 5.348 1.00 10.42 N ATOM 1711 CA ARG A 110 -9.646 -13.389 4.141 1.00 1.11 C ATOM 1712 C ARG A 110 -8.130 -13.255 4.366 1.00 63.14 C ATOM 1713 O ARG A 110 -7.363 -14.066 3.846 1.00 24.03 O ATOM 1714 CB ARG A 110 -10.144 -12.555 2.949 1.00 33.21 C ATOM 1715 CG ARG A 110 -9.415 -12.801 1.622 1.00 55.15 C ATOM 1716 CD ARG A 110 -9.590 -14.209 1.039 1.00 30.20 C ATOM 1717 NE ARG A 110 -8.763 -14.378 -0.166 1.00 1.10 N ATOM 1718 CZ ARG A 110 -7.423 -14.483 -0.158 1.00 12.04 C ATOM 1719 NH1 ARG A 110 -6.740 -14.461 0.991 1.00 63.12 N ATOM 1720 NH2 ARG A 110 -6.742 -14.606 -1.303 1.00 71.42 N ATOM 0 H ARG A 110 -11.137 -12.362 5.192 1.00 10.42 H new ATOM 0 HA ARG A 110 -9.820 -14.438 3.902 1.00 1.11 H new ATOM 0 HB2 ARG A 110 -11.205 -12.758 2.804 1.00 33.21 H new ATOM 0 HB3 ARG A 110 -10.053 -11.499 3.203 1.00 33.21 H new ATOM 0 HG2 ARG A 110 -9.768 -12.074 0.890 1.00 55.15 H new ATOM 0 HG3 ARG A 110 -8.351 -12.614 1.769 1.00 55.15 H new ATOM 0 HD2 ARG A 110 -9.312 -14.954 1.785 1.00 30.20 H new ATOM 0 HD3 ARG A 110 -10.638 -14.379 0.794 1.00 30.20 H new ATOM 0 HE ARG A 110 -9.238 -14.418 -1.068 1.00 1.10 H new ATOM 0 HH11 ARG A 110 -7.236 -14.364 1.877 1.00 63.12 H new ATOM 0 HH12 ARG A 110 -5.723 -14.542 0.982 1.00 63.12 H new ATOM 0 HH21 ARG A 110 -7.240 -14.621 -2.193 1.00 71.42 H new ATOM 0 HH22 ARG A 110 -5.725 -14.685 -1.286 1.00 71.42 H new ATOM 1734 N LEU A 111 -7.700 -12.262 5.157 1.00 62.25 N ATOM 1735 CA LEU A 111 -6.299 -12.079 5.529 1.00 44.11 C ATOM 1736 C LEU A 111 -5.815 -13.201 6.445 1.00 2.10 C ATOM 1737 O LEU A 111 -4.741 -13.756 6.227 1.00 30.35 O ATOM 1738 CB LEU A 111 -6.110 -10.743 6.251 1.00 12.10 C ATOM 1739 CG LEU A 111 -6.261 -9.539 5.318 1.00 63.23 C ATOM 1740 CD1 LEU A 111 -6.546 -8.306 6.177 1.00 44.13 C ATOM 1741 CD2 LEU A 111 -4.992 -9.277 4.499 1.00 62.41 C ATOM 0 H LEU A 111 -8.323 -11.561 5.557 1.00 62.25 H new ATOM 0 HA LEU A 111 -5.715 -12.094 4.609 1.00 44.11 H new ATOM 0 HB2 LEU A 111 -6.838 -10.665 7.058 1.00 12.10 H new ATOM 0 HB3 LEU A 111 -5.122 -10.720 6.710 1.00 12.10 H new ATOM 0 HG LEU A 111 -7.072 -9.748 4.620 1.00 63.23 H new ATOM 0 HD11 LEU A 111 -6.658 -7.433 5.534 1.00 44.13 H new ATOM 0 HD12 LEU A 111 -7.465 -8.461 6.742 1.00 44.13 H new ATOM 0 HD13 LEU A 111 -5.718 -8.144 6.868 1.00 44.13 H new ATOM 0 HD21 LEU A 111 -5.148 -8.413 3.852 1.00 62.41 H new ATOM 0 HD22 LEU A 111 -4.158 -9.080 5.173 1.00 62.41 H new ATOM 0 HD23 LEU A 111 -4.766 -10.151 3.888 1.00 62.41 H new ATOM 1753 N LEU A 112 -6.586 -13.496 7.497 1.00 31.54 N ATOM 1754 CA LEU A 112 -6.204 -14.436 8.543 1.00 0.12 C ATOM 1755 C LEU A 112 -6.115 -15.860 7.993 1.00 24.40 C ATOM 1756 O LEU A 112 -5.175 -16.585 8.311 1.00 42.00 O ATOM 1757 CB LEU A 112 -7.205 -14.365 9.706 1.00 62.12 C ATOM 1758 CG LEU A 112 -7.349 -12.965 10.331 1.00 15.24 C ATOM 1759 CD1 LEU A 112 -8.370 -13.027 11.471 1.00 2.12 C ATOM 1760 CD2 LEU A 112 -6.014 -12.440 10.871 1.00 34.02 C ATOM 0 H LEU A 112 -7.506 -13.079 7.643 1.00 31.54 H new ATOM 0 HA LEU A 112 -5.217 -14.159 8.913 1.00 0.12 H new ATOM 0 HB2 LEU A 112 -8.181 -14.694 9.351 1.00 62.12 H new ATOM 0 HB3 LEU A 112 -6.895 -15.066 10.481 1.00 62.12 H new ATOM 0 HG LEU A 112 -7.685 -12.280 9.552 1.00 15.24 H new ATOM 0 HD11 LEU A 112 -8.477 -12.039 11.918 1.00 2.12 H new ATOM 0 HD12 LEU A 112 -9.333 -13.354 11.079 1.00 2.12 H new ATOM 0 HD13 LEU A 112 -8.028 -13.733 12.228 1.00 2.12 H new ATOM 0 HD21 LEU A 112 -6.160 -11.450 11.303 1.00 34.02 H new ATOM 0 HD22 LEU A 112 -5.639 -13.119 11.637 1.00 34.02 H new ATOM 0 HD23 LEU A 112 -5.292 -12.377 10.057 1.00 34.02 H new ATOM 1772 N ALA A 113 -7.084 -16.247 7.156 1.00 33.34 N ATOM 1773 CA ALA A 113 -7.139 -17.550 6.509 1.00 51.14 C ATOM 1774 C ALA A 113 -5.881 -17.801 5.675 1.00 73.11 C ATOM 1775 O ALA A 113 -5.293 -18.878 5.753 1.00 11.10 O ATOM 1776 CB ALA A 113 -8.400 -17.638 5.646 1.00 50.21 C ATOM 0 H ALA A 113 -7.868 -15.643 6.908 1.00 33.34 H new ATOM 0 HA ALA A 113 -7.181 -18.325 7.274 1.00 51.14 H new ATOM 0 HB1 ALA A 113 -8.442 -18.613 5.161 1.00 50.21 H new ATOM 0 HB2 ALA A 113 -9.281 -17.507 6.274 1.00 50.21 H new ATOM 0 HB3 ALA A 113 -8.377 -16.856 4.887 1.00 50.21 H new ATOM 1782 N GLU A 114 -5.462 -16.800 4.892 1.00 41.22 N ATOM 1783 CA GLU A 114 -4.252 -16.860 4.084 1.00 10.01 C ATOM 1784 C GLU A 114 -2.998 -16.765 4.961 1.00 43.02 C ATOM 1785 O GLU A 114 -1.962 -17.330 4.617 1.00 33.11 O ATOM 1786 CB GLU A 114 -4.338 -15.745 3.039 1.00 52.01 C ATOM 1787 CG GLU A 114 -3.168 -15.725 2.048 1.00 51.13 C ATOM 1788 CD GLU A 114 -3.407 -14.674 0.968 1.00 51.23 C ATOM 1789 OE1 GLU A 114 -4.162 -14.987 0.022 1.00 52.00 O ATOM 1790 OE2 GLU A 114 -2.877 -13.555 1.132 1.00 62.12 O ATOM 0 H GLU A 114 -5.965 -15.917 4.805 1.00 41.22 H new ATOM 0 HA GLU A 114 -4.172 -17.819 3.572 1.00 10.01 H new ATOM 0 HB2 GLU A 114 -5.269 -15.854 2.483 1.00 52.01 H new ATOM 0 HB3 GLU A 114 -4.383 -14.784 3.551 1.00 52.01 H new ATOM 0 HG2 GLU A 114 -2.239 -15.509 2.576 1.00 51.13 H new ATOM 0 HG3 GLU A 114 -3.054 -16.707 1.590 1.00 51.13 H new ATOM 1797 N GLY A 115 -3.100 -16.072 6.102 1.00 51.22 N ATOM 1798 CA GLY A 115 -2.029 -15.925 7.074 1.00 12.42 C ATOM 1799 C GLY A 115 -1.165 -14.718 6.727 1.00 61.31 C ATOM 1800 O GLY A 115 0.054 -14.839 6.615 1.00 34.21 O ATOM 0 H GLY A 115 -3.956 -15.588 6.374 1.00 51.22 H new ATOM 0 HA2 GLY A 115 -2.449 -15.806 8.073 1.00 12.42 H new ATOM 0 HA3 GLY A 115 -1.417 -16.827 7.091 1.00 12.42 H new ATOM 1804 N VAL A 116 -1.807 -13.557 6.553 1.00 21.32 N ATOM 1805 CA VAL A 116 -1.161 -12.317 6.145 1.00 31.32 C ATOM 1806 C VAL A 116 -0.811 -11.469 7.367 1.00 75.31 C ATOM 1807 O VAL A 116 0.293 -10.932 7.442 1.00 13.31 O ATOM 1808 CB VAL A 116 -2.075 -11.552 5.177 1.00 31.40 C ATOM 1809 CG1 VAL A 116 -1.429 -10.231 4.741 1.00 54.31 C ATOM 1810 CG2 VAL A 116 -2.355 -12.395 3.929 1.00 5.40 C ATOM 0 H VAL A 116 -2.812 -13.458 6.697 1.00 21.32 H new ATOM 0 HA VAL A 116 -0.230 -12.549 5.628 1.00 31.32 H new ATOM 0 HB VAL A 116 -3.007 -11.343 5.701 1.00 31.40 H new ATOM 0 HG11 VAL A 116 -2.096 -9.708 4.056 1.00 54.31 H new ATOM 0 HG12 VAL A 116 -1.248 -9.608 5.617 1.00 54.31 H new ATOM 0 HG13 VAL A 116 -0.483 -10.437 4.240 1.00 54.31 H new ATOM 0 HG21 VAL A 116 -3.004 -11.839 3.253 1.00 5.40 H new ATOM 0 HG22 VAL A 116 -1.416 -12.622 3.425 1.00 5.40 H new ATOM 0 HG23 VAL A 116 -2.845 -13.324 4.220 1.00 5.40 H new ATOM 1820 N CYS A 117 -1.759 -11.332 8.300 1.00 70.31 N ATOM 1821 CA CYS A 117 -1.602 -10.531 9.507 1.00 71.35 C ATOM 1822 C CYS A 117 -2.094 -11.300 10.731 1.00 12.01 C ATOM 1823 O CYS A 117 -2.690 -12.370 10.608 1.00 53.03 O ATOM 1824 CB CYS A 117 -2.324 -9.187 9.341 1.00 42.23 C ATOM 1825 SG CYS A 117 -4.111 -9.433 9.169 1.00 33.13 S ATOM 0 H CYS A 117 -2.671 -11.785 8.231 1.00 70.31 H new ATOM 0 HA CYS A 117 -0.544 -10.322 9.666 1.00 71.35 H new ATOM 0 HB2 CYS A 117 -2.121 -8.551 10.203 1.00 42.23 H new ATOM 0 HB3 CYS A 117 -1.938 -8.668 8.464 1.00 42.23 H new ATOM 0 HG CYS A 117 -4.697 -8.280 9.033 1.00 33.13 H new ATOM 1831 N ASP A 118 -1.824 -10.739 11.914 1.00 41.34 N ATOM 1832 CA ASP A 118 -2.199 -11.313 13.197 1.00 4.21 C ATOM 1833 C ASP A 118 -3.625 -10.899 13.571 1.00 14.02 C ATOM 1834 O ASP A 118 -4.106 -9.846 13.156 1.00 41.04 O ATOM 1835 CB ASP A 118 -1.183 -10.889 14.265 1.00 30.32 C ATOM 1836 CG ASP A 118 -1.561 -11.389 15.655 1.00 14.51 C ATOM 1837 OD1 ASP A 118 -1.864 -12.599 15.769 1.00 41.13 O ATOM 1838 OD2 ASP A 118 -1.578 -10.548 16.576 1.00 74.25 O ATOM 0 H ASP A 118 -1.327 -9.853 12.001 1.00 41.34 H new ATOM 0 HA ASP A 118 -2.186 -12.401 13.129 1.00 4.21 H new ATOM 0 HB2 ASP A 118 -0.198 -11.273 13.999 1.00 30.32 H new ATOM 0 HB3 ASP A 118 -1.108 -9.802 14.280 1.00 30.32 H new ATOM 1843 N ASN A 119 -4.280 -11.744 14.376 1.00 54.51 N ATOM 1844 CA ASN A 119 -5.655 -11.595 14.835 1.00 74.21 C ATOM 1845 C ASN A 119 -5.912 -10.279 15.582 1.00 62.14 C ATOM 1846 O ASN A 119 -7.045 -9.805 15.600 1.00 14.52 O ATOM 1847 CB ASN A 119 -6.046 -12.805 15.697 1.00 15.55 C ATOM 1848 CG ASN A 119 -5.545 -12.704 17.140 1.00 15.32 C ATOM 1849 OD1 ASN A 119 -6.341 -12.515 18.057 1.00 3.11 O ATOM 1850 ND2 ASN A 119 -4.234 -12.825 17.358 1.00 52.20 N ATOM 0 H ASN A 119 -3.839 -12.589 14.739 1.00 54.51 H new ATOM 0 HA ASN A 119 -6.287 -11.556 13.948 1.00 74.21 H new ATOM 0 HB2 ASN A 119 -7.132 -12.904 15.702 1.00 15.55 H new ATOM 0 HB3 ASN A 119 -5.646 -13.711 15.243 1.00 15.55 H new ATOM 0 HD21 ASN A 119 -3.867 -12.761 18.307 1.00 52.20 H new ATOM 0 HD22 ASN A 119 -3.599 -12.981 16.575 1.00 52.20 H new ATOM 1857 N ASP A 120 -4.876 -9.700 16.203 1.00 52.33 N ATOM 1858 CA ASP A 120 -4.946 -8.408 16.870 1.00 31.22 C ATOM 1859 C ASP A 120 -4.816 -7.295 15.829 1.00 33.32 C ATOM 1860 O ASP A 120 -5.595 -6.344 15.819 1.00 13.44 O ATOM 1861 CB ASP A 120 -3.810 -8.329 17.894 1.00 24.12 C ATOM 1862 CG ASP A 120 -3.763 -6.988 18.617 1.00 13.02 C ATOM 1863 OD1 ASP A 120 -3.104 -6.075 18.072 1.00 44.42 O ATOM 1864 OD2 ASP A 120 -4.359 -6.908 19.712 1.00 22.25 O ATOM 0 H ASP A 120 -3.952 -10.130 16.253 1.00 52.33 H new ATOM 0 HA ASP A 120 -5.900 -8.290 17.383 1.00 31.22 H new ATOM 0 HB2 ASP A 120 -3.930 -9.128 18.626 1.00 24.12 H new ATOM 0 HB3 ASP A 120 -2.859 -8.499 17.389 1.00 24.12 H new ATOM 1869 N THR A 121 -3.797 -7.426 14.975 1.00 61.30 N ATOM 1870 CA THR A 121 -3.331 -6.388 14.067 1.00 70.35 C ATOM 1871 C THR A 121 -4.295 -6.139 12.901 1.00 3.21 C ATOM 1872 O THR A 121 -4.297 -5.043 12.340 1.00 2.13 O ATOM 1873 CB THR A 121 -1.920 -6.732 13.565 1.00 54.01 C ATOM 1874 OG1 THR A 121 -1.946 -7.888 12.752 1.00 62.34 O ATOM 1875 CG2 THR A 121 -0.935 -6.926 14.726 1.00 35.11 C ATOM 0 H THR A 121 -3.259 -8.289 14.898 1.00 61.30 H new ATOM 0 HA THR A 121 -3.294 -5.453 14.626 1.00 70.35 H new ATOM 0 HB THR A 121 -1.574 -5.887 12.969 1.00 54.01 H new ATOM 0 HG1 THR A 121 -2.732 -8.429 12.977 1.00 62.34 H new ATOM 0 HG21 THR A 121 0.051 -7.168 14.330 1.00 35.11 H new ATOM 0 HG22 THR A 121 -0.876 -6.008 15.310 1.00 35.11 H new ATOM 0 HG23 THR A 121 -1.280 -7.740 15.363 1.00 35.11 H new ATOM 1883 N VAL A 122 -5.104 -7.142 12.534 1.00 54.21 N ATOM 1884 CA VAL A 122 -6.131 -7.033 11.504 1.00 51.30 C ATOM 1885 C VAL A 122 -7.048 -5.831 11.807 1.00 3.54 C ATOM 1886 O VAL A 122 -7.485 -5.681 12.948 1.00 44.11 O ATOM 1887 CB VAL A 122 -6.888 -8.372 11.422 1.00 2.23 C ATOM 1888 CG1 VAL A 122 -7.807 -8.614 12.626 1.00 31.41 C ATOM 1889 CG2 VAL A 122 -7.695 -8.495 10.128 1.00 73.11 C ATOM 0 H VAL A 122 -5.057 -8.069 12.957 1.00 54.21 H new ATOM 0 HA VAL A 122 -5.691 -6.843 10.525 1.00 51.30 H new ATOM 0 HB VAL A 122 -6.115 -9.140 11.431 1.00 2.23 H new ATOM 0 HG11 VAL A 122 -8.313 -9.573 12.511 1.00 31.41 H new ATOM 0 HG12 VAL A 122 -7.214 -8.624 13.540 1.00 31.41 H new ATOM 0 HG13 VAL A 122 -8.549 -7.817 12.684 1.00 31.41 H new ATOM 0 HG21 VAL A 122 -8.213 -9.454 10.112 1.00 73.11 H new ATOM 0 HG22 VAL A 122 -8.425 -7.687 10.076 1.00 73.11 H new ATOM 0 HG23 VAL A 122 -7.023 -8.431 9.272 1.00 73.11 H new ATOM 1899 N PRO A 123 -7.304 -4.934 10.840 1.00 64.05 N ATOM 1900 CA PRO A 123 -7.937 -3.650 11.106 1.00 41.22 C ATOM 1901 C PRO A 123 -9.434 -3.784 11.395 1.00 22.33 C ATOM 1902 O PRO A 123 -10.086 -4.740 10.976 1.00 5.30 O ATOM 1903 CB PRO A 123 -7.682 -2.800 9.861 1.00 50.53 C ATOM 1904 CG PRO A 123 -7.588 -3.848 8.757 1.00 62.42 C ATOM 1905 CD PRO A 123 -6.859 -4.991 9.460 1.00 33.11 C ATOM 0 HA PRO A 123 -7.519 -3.191 12.002 1.00 41.22 H new ATOM 0 HB2 PRO A 123 -8.491 -2.092 9.680 1.00 50.53 H new ATOM 0 HB3 PRO A 123 -6.764 -2.219 9.948 1.00 50.53 H new ATOM 0 HG2 PRO A 123 -8.572 -4.152 8.399 1.00 62.42 H new ATOM 0 HG3 PRO A 123 -7.033 -3.481 7.893 1.00 62.42 H new ATOM 0 HD2 PRO A 123 -7.103 -5.952 9.007 1.00 33.11 H new ATOM 0 HD3 PRO A 123 -5.778 -4.871 9.390 1.00 33.11 H new ATOM 1913 N SER A 124 -9.959 -2.790 12.120 1.00 24.05 N ATOM 1914 CA SER A 124 -11.346 -2.683 12.548 1.00 24.24 C ATOM 1915 C SER A 124 -12.322 -2.695 11.374 1.00 61.23 C ATOM 1916 O SER A 124 -12.110 -1.988 10.389 1.00 3.24 O ATOM 1917 CB SER A 124 -11.513 -1.370 13.316 1.00 73.12 C ATOM 1918 OG SER A 124 -10.957 -1.487 14.607 1.00 31.20 O ATOM 0 H SER A 124 -9.394 -2.002 12.437 1.00 24.05 H new ATOM 0 HA SER A 124 -11.574 -3.547 13.172 1.00 24.24 H new ATOM 0 HB2 SER A 124 -11.026 -0.559 12.774 1.00 73.12 H new ATOM 0 HB3 SER A 124 -12.570 -1.115 13.389 1.00 73.12 H new ATOM 0 HG SER A 124 -11.068 -0.641 15.089 1.00 31.20 H new ATOM 1924 N VAL A 125 -13.420 -3.451 11.526 1.00 52.41 N ATOM 1925 CA VAL A 125 -14.519 -3.530 10.570 1.00 41.22 C ATOM 1926 C VAL A 125 -15.104 -2.144 10.266 1.00 14.10 C ATOM 1927 O VAL A 125 -15.414 -1.836 9.115 1.00 5.21 O ATOM 1928 CB VAL A 125 -15.575 -4.537 11.065 1.00 74.43 C ATOM 1929 CG1 VAL A 125 -16.313 -4.078 12.330 1.00 32.44 C ATOM 1930 CG2 VAL A 125 -16.595 -4.847 9.961 1.00 33.54 C ATOM 0 H VAL A 125 -13.566 -4.040 12.346 1.00 52.41 H new ATOM 0 HA VAL A 125 -14.137 -3.901 9.619 1.00 41.22 H new ATOM 0 HB VAL A 125 -15.022 -5.439 11.325 1.00 74.43 H new ATOM 0 HG11 VAL A 125 -17.041 -4.835 12.621 1.00 32.44 H new ATOM 0 HG12 VAL A 125 -15.596 -3.934 13.138 1.00 32.44 H new ATOM 0 HG13 VAL A 125 -16.827 -3.138 12.130 1.00 32.44 H new ATOM 0 HG21 VAL A 125 -17.330 -5.560 10.334 1.00 33.54 H new ATOM 0 HG22 VAL A 125 -17.100 -3.928 9.663 1.00 33.54 H new ATOM 0 HG23 VAL A 125 -16.081 -5.274 9.100 1.00 33.54 H new ATOM 1940 N SER A 126 -15.228 -1.299 11.296 1.00 42.51 N ATOM 1941 CA SER A 126 -15.732 0.062 11.182 1.00 12.02 C ATOM 1942 C SER A 126 -14.784 0.962 10.385 1.00 51.22 C ATOM 1943 O SER A 126 -15.239 1.914 9.754 1.00 53.03 O ATOM 1944 CB SER A 126 -15.970 0.625 12.586 1.00 52.13 C ATOM 1945 OG SER A 126 -14.788 0.552 13.359 1.00 72.13 O ATOM 0 H SER A 126 -14.973 -1.554 12.250 1.00 42.51 H new ATOM 0 HA SER A 126 -16.672 0.038 10.631 1.00 12.02 H new ATOM 0 HB2 SER A 126 -16.302 1.661 12.517 1.00 52.13 H new ATOM 0 HB3 SER A 126 -16.767 0.067 13.077 1.00 52.13 H new ATOM 0 HG SER A 126 -14.958 0.918 14.252 1.00 72.13 H new ATOM 1951 N SER A 127 -13.473 0.686 10.422 1.00 11.34 N ATOM 1952 CA SER A 127 -12.482 1.508 9.746 1.00 60.55 C ATOM 1953 C SER A 127 -12.468 1.187 8.256 1.00 63.43 C ATOM 1954 O SER A 127 -12.593 2.097 7.442 1.00 41.22 O ATOM 1955 CB SER A 127 -11.101 1.321 10.379 1.00 62.53 C ATOM 1956 OG SER A 127 -11.138 1.731 11.730 1.00 63.45 O ATOM 0 H SER A 127 -13.079 -0.112 10.921 1.00 11.34 H new ATOM 0 HA SER A 127 -12.751 2.558 9.862 1.00 60.55 H new ATOM 0 HB2 SER A 127 -10.799 0.276 10.314 1.00 62.53 H new ATOM 0 HB3 SER A 127 -10.358 1.902 9.833 1.00 62.53 H new ATOM 0 HG SER A 127 -10.253 1.609 12.133 1.00 63.45 H new ATOM 1962 N ILE A 128 -12.335 -0.097 7.898 1.00 34.54 N ATOM 1963 CA ILE A 128 -12.284 -0.539 6.505 1.00 3.13 C ATOM 1964 C ILE A 128 -13.503 -0.073 5.700 1.00 52.02 C ATOM 1965 O ILE A 128 -13.378 0.235 4.516 1.00 34.22 O ATOM 1966 CB ILE A 128 -12.060 -2.057 6.397 1.00 45.13 C ATOM 1967 CG1 ILE A 128 -13.118 -2.853 7.180 1.00 40.23 C ATOM 1968 CG2 ILE A 128 -10.623 -2.372 6.846 1.00 11.41 C ATOM 1969 CD1 ILE A 128 -13.064 -4.372 6.987 1.00 73.03 C ATOM 0 H ILE A 128 -12.260 -0.859 8.572 1.00 34.54 H new ATOM 0 HA ILE A 128 -11.417 -0.057 6.052 1.00 3.13 H new ATOM 0 HB ILE A 128 -12.180 -2.372 5.360 1.00 45.13 H new ATOM 0 HG12 ILE A 128 -13.003 -2.633 8.241 1.00 40.23 H new ATOM 0 HG13 ILE A 128 -14.107 -2.500 6.886 1.00 40.23 H new ATOM 0 HG21 ILE A 128 -10.447 -3.445 6.776 1.00 11.41 H new ATOM 0 HG22 ILE A 128 -9.917 -1.846 6.203 1.00 11.41 H new ATOM 0 HG23 ILE A 128 -10.485 -2.049 7.878 1.00 11.41 H new ATOM 0 HD11 ILE A 128 -13.849 -4.842 7.580 1.00 73.03 H new ATOM 0 HD12 ILE A 128 -13.212 -4.610 5.934 1.00 73.03 H new ATOM 0 HD13 ILE A 128 -12.092 -4.746 7.310 1.00 73.03 H new ATOM 1981 N ASN A 129 -14.666 0.017 6.354 1.00 21.14 N ATOM 1982 CA ASN A 129 -15.901 0.539 5.784 1.00 11.34 C ATOM 1983 C ASN A 129 -15.711 1.897 5.100 1.00 1.13 C ATOM 1984 O ASN A 129 -16.255 2.120 4.018 1.00 13.51 O ATOM 1985 CB ASN A 129 -16.951 0.658 6.893 1.00 72.43 C ATOM 1986 CG ASN A 129 -18.277 1.188 6.353 1.00 73.45 C ATOM 1987 OD1 ASN A 129 -18.659 2.319 6.644 1.00 72.23 O ATOM 1988 ND2 ASN A 129 -18.972 0.382 5.551 1.00 62.31 N ATOM 0 H ASN A 129 -14.771 -0.282 7.324 1.00 21.14 H new ATOM 0 HA ASN A 129 -16.231 -0.158 5.014 1.00 11.34 H new ATOM 0 HB2 ASN A 129 -17.108 -0.318 7.353 1.00 72.43 H new ATOM 0 HB3 ASN A 129 -16.583 1.323 7.674 1.00 72.43 H new ATOM 0 HD21 ASN A 129 -19.857 0.697 5.154 1.00 62.31 H new ATOM 0 HD22 ASN A 129 -18.619 -0.550 5.335 1.00 62.31 H new ATOM 1995 N ARG A 130 -14.959 2.807 5.733 1.00 53.53 N ATOM 1996 CA ARG A 130 -14.800 4.178 5.255 1.00 43.23 C ATOM 1997 C ARG A 130 -14.140 4.250 3.872 1.00 71.40 C ATOM 1998 O ARG A 130 -14.339 5.226 3.150 1.00 50.35 O ATOM 1999 CB ARG A 130 -14.071 5.039 6.301 1.00 65.43 C ATOM 2000 CG ARG A 130 -12.542 5.035 6.145 1.00 61.41 C ATOM 2001 CD ARG A 130 -11.847 5.566 7.402 1.00 15.15 C ATOM 2002 NE ARG A 130 -12.192 6.970 7.658 1.00 44.51 N ATOM 2003 CZ ARG A 130 -11.853 7.661 8.760 1.00 65.21 C ATOM 2004 NH1 ARG A 130 -11.158 7.083 9.749 1.00 45.12 N ATOM 2005 NH2 ARG A 130 -12.215 8.947 8.867 1.00 20.04 N ATOM 0 H ARG A 130 -14.445 2.609 6.591 1.00 53.53 H new ATOM 0 HA ARG A 130 -15.798 4.595 5.122 1.00 43.23 H new ATOM 0 HB2 ARG A 130 -14.432 6.065 6.230 1.00 65.43 H new ATOM 0 HB3 ARG A 130 -14.327 4.679 7.298 1.00 65.43 H new ATOM 0 HG2 ARG A 130 -12.199 4.021 5.940 1.00 61.41 H new ATOM 0 HG3 ARG A 130 -12.261 5.646 5.287 1.00 61.41 H new ATOM 0 HD2 ARG A 130 -12.133 4.958 8.261 1.00 15.15 H new ATOM 0 HD3 ARG A 130 -10.767 5.471 7.289 1.00 15.15 H new ATOM 0 HE ARG A 130 -12.731 7.459 6.944 1.00 44.51 H new ATOM 0 HH11 ARG A 130 -10.878 6.105 9.672 1.00 45.12 H new ATOM 0 HH12 ARG A 130 -10.908 7.621 10.579 1.00 45.12 H new ATOM 0 HH21 ARG A 130 -12.743 9.392 8.116 1.00 20.04 H new ATOM 0 HH22 ARG A 130 -11.963 9.480 9.699 1.00 20.04 H new ATOM 2019 N ILE A 131 -13.360 3.225 3.504 1.00 41.32 N ATOM 2020 CA ILE A 131 -12.751 3.099 2.193 1.00 13.24 C ATOM 2021 C ILE A 131 -13.811 2.676 1.168 1.00 73.03 C ATOM 2022 O ILE A 131 -13.911 3.303 0.118 1.00 1.34 O ATOM 2023 CB ILE A 131 -11.563 2.122 2.276 1.00 3.23 C ATOM 2024 CG1 ILE A 131 -10.486 2.670 3.234 1.00 34.14 C ATOM 2025 CG2 ILE A 131 -10.948 1.888 0.890 1.00 12.21 C ATOM 2026 CD1 ILE A 131 -10.496 1.972 4.596 1.00 54.34 C ATOM 0 H ILE A 131 -13.136 2.450 4.129 1.00 41.32 H new ATOM 0 HA ILE A 131 -12.356 4.057 1.856 1.00 13.24 H new ATOM 0 HB ILE A 131 -11.936 1.171 2.658 1.00 3.23 H new ATOM 0 HG12 ILE A 131 -9.504 2.551 2.776 1.00 34.14 H new ATOM 0 HG13 ILE A 131 -10.643 3.739 3.377 1.00 34.14 H new ATOM 0 HG21 ILE A 131 -10.111 1.195 0.976 1.00 12.21 H new ATOM 0 HG22 ILE A 131 -11.701 1.467 0.224 1.00 12.21 H new ATOM 0 HG23 ILE A 131 -10.594 2.836 0.484 1.00 12.21 H new ATOM 0 HD11 ILE A 131 -9.718 2.398 5.229 1.00 54.34 H new ATOM 0 HD12 ILE A 131 -11.467 2.113 5.070 1.00 54.34 H new ATOM 0 HD13 ILE A 131 -10.310 0.907 4.460 1.00 54.34 H new ATOM 2038 N ILE A 132 -14.595 1.632 1.469 1.00 64.12 N ATOM 2039 CA ILE A 132 -15.610 1.054 0.584 1.00 41.12 C ATOM 2040 C ILE A 132 -16.492 2.142 -0.036 1.00 12.43 C ATOM 2041 O ILE A 132 -16.644 2.189 -1.257 1.00 44.33 O ATOM 2042 CB ILE A 132 -16.476 0.009 1.326 1.00 35.44 C ATOM 2043 CG1 ILE A 132 -15.618 -1.098 1.965 1.00 64.14 C ATOM 2044 CG2 ILE A 132 -17.491 -0.620 0.356 1.00 71.25 C ATOM 2045 CD1 ILE A 132 -16.454 -2.117 2.750 1.00 30.12 C ATOM 0 H ILE A 132 -14.536 1.152 2.367 1.00 64.12 H new ATOM 0 HA ILE A 132 -15.083 0.544 -0.223 1.00 41.12 H new ATOM 0 HB ILE A 132 -17.002 0.530 2.126 1.00 35.44 H new ATOM 0 HG12 ILE A 132 -15.061 -1.616 1.185 1.00 64.14 H new ATOM 0 HG13 ILE A 132 -14.885 -0.644 2.632 1.00 64.14 H new ATOM 0 HG21 ILE A 132 -18.096 -1.354 0.888 1.00 71.25 H new ATOM 0 HG22 ILE A 132 -18.138 0.158 -0.049 1.00 71.25 H new ATOM 0 HG23 ILE A 132 -16.959 -1.110 -0.460 1.00 71.25 H new ATOM 0 HD11 ILE A 132 -15.797 -2.874 3.178 1.00 30.12 H new ATOM 0 HD12 ILE A 132 -16.991 -1.608 3.550 1.00 30.12 H new ATOM 0 HD13 ILE A 132 -17.169 -2.594 2.080 1.00 30.12 H new ATOM 2057 N ARG A 133 -17.076 3.007 0.805 1.00 4.41 N ATOM 2058 CA ARG A 133 -18.014 4.036 0.383 1.00 71.41 C ATOM 2059 C ARG A 133 -17.480 4.919 -0.752 1.00 62.23 C ATOM 2060 O ARG A 133 -18.246 5.276 -1.643 1.00 42.42 O ATOM 2061 CB ARG A 133 -18.497 4.861 1.584 1.00 30.21 C ATOM 2062 CG ARG A 133 -17.356 5.468 2.404 1.00 21.30 C ATOM 2063 CD ARG A 133 -17.906 6.437 3.456 1.00 40.12 C ATOM 2064 NE ARG A 133 -16.823 7.081 4.212 1.00 44.42 N ATOM 2065 CZ ARG A 133 -16.024 8.057 3.747 1.00 74.43 C ATOM 2066 NH1 ARG A 133 -16.186 8.553 2.512 1.00 34.22 N ATOM 2067 NH2 ARG A 133 -15.052 8.543 4.531 1.00 53.33 N ATOM 0 H ARG A 133 -16.902 3.005 1.810 1.00 4.41 H new ATOM 0 HA ARG A 133 -18.876 3.520 -0.040 1.00 71.41 H new ATOM 0 HB2 ARG A 133 -19.145 5.662 1.228 1.00 30.21 H new ATOM 0 HB3 ARG A 133 -19.102 4.226 2.231 1.00 30.21 H new ATOM 0 HG2 ARG A 133 -16.790 4.675 2.893 1.00 21.30 H new ATOM 0 HG3 ARG A 133 -16.665 5.993 1.744 1.00 21.30 H new ATOM 0 HD2 ARG A 133 -18.514 7.199 2.968 1.00 40.12 H new ATOM 0 HD3 ARG A 133 -18.560 5.899 4.142 1.00 40.12 H new ATOM 0 HE ARG A 133 -16.665 6.761 5.168 1.00 44.42 H new ATOM 0 HH11 ARG A 133 -16.924 8.190 1.909 1.00 34.22 H new ATOM 0 HH12 ARG A 133 -15.571 9.294 2.175 1.00 34.22 H new ATOM 0 HH21 ARG A 133 -14.923 8.172 5.472 1.00 53.33 H new ATOM 0 HH22 ARG A 133 -14.441 9.284 4.186 1.00 53.33 H new ATOM 2081 N THR A 134 -16.182 5.260 -0.760 1.00 41.44 N ATOM 2082 CA THR A 134 -15.627 6.120 -1.805 1.00 71.31 C ATOM 2083 C THR A 134 -15.752 5.488 -3.198 1.00 40.43 C ATOM 2084 O THR A 134 -15.786 6.213 -4.191 1.00 53.12 O ATOM 2085 CB THR A 134 -14.176 6.530 -1.500 1.00 45.12 C ATOM 2086 OG1 THR A 134 -13.300 5.427 -1.589 1.00 3.42 O ATOM 2087 CG2 THR A 134 -14.040 7.180 -0.120 1.00 2.31 C ATOM 0 H THR A 134 -15.506 4.954 -0.060 1.00 41.44 H new ATOM 0 HA THR A 134 -16.226 7.031 -1.811 1.00 71.31 H new ATOM 0 HB THR A 134 -13.900 7.266 -2.255 1.00 45.12 H new ATOM 0 HG1 THR A 134 -13.584 4.732 -0.959 1.00 3.42 H new ATOM 0 HG21 THR A 134 -12.999 7.453 0.053 1.00 2.31 H new ATOM 0 HG22 THR A 134 -14.662 8.074 -0.076 1.00 2.31 H new ATOM 0 HG23 THR A 134 -14.362 6.476 0.647 1.00 2.31 H new