USER MOD reduce.3.24.130724 H: found=0, std=0, add=1089, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1089 hydrogens (41 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 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 117 GLN : amide:sc= -0.0114 X(o=-0.011,f=-0.16) USER MOD Set 2.1: A 29 TYR OH : rot 164:sc= 0.885 USER MOD Set 2.2: A 97 THR OG1 : rot 43:sc= 0.264 USER MOD Set 3.1: A 86 TYR OH : rot -133:sc= 0.804 USER MOD Set 3.2: A 90 GLN : amide:sc= 0.719 K(o=1.5,f=-0.21) USER MOD Set 4.1: A 65 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Set 4.2: A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.373 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.338 K(o=-0.34,f=-4.3!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -2.72! C(o=-2.7!,f=-8.4!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.0279 X(o=-0.028,f=-0.028) USER MOD Single : A 53 THR OG1 : rot -15:sc= 1.04 USER MOD Single : A 54 SER OG : rot 180:sc=-0.00325 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.1 USER MOD Single : A 59 GLN : amide:sc=-0.00993 X(o=-0.0099,f=0) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 89:sc= 1.36 USER MOD Single : A 69 GLN : amide:sc= -0.0818 X(o=-0.082,f=-0.082) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot -72:sc= 0.101 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -1.58! C(o=-1.6!,f=-2.8!) USER MOD Single : A 81 THR OG1 : rot 80:sc= 0.238 USER MOD Single : A 87 CYS SG : rot 75:sc= -0.591 USER MOD Single : A 89 HIS : +bothHN:sc= -0.0827 K(o=-0.083,f=-5.3!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 LYS NZ :NH3+ -114:sc= -0.346 (180deg=-2.45!) USER MOD Single : A 108 GLN : amide:sc= -0.253 K(o=-0.25,f=-1.1) USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= -0.0363 X(o=-0.036,f=0) USER MOD Single : A 122 THR OG1 : rot 180:sc= -0.382 USER MOD Single : A 124 ASN : amide:sc= -0.0922 X(o=-0.092,f=-0.092) USER MOD Single : A 125 ASN : amide:sc= -0.0106 X(o=-0.011,f=-0.19) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 131 ASN :FLIP amide:sc= 1.13 F(o=-0.25,f=1.1) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD Single : A 300 8SP OXT : rot 167:sc= -0.0226 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -3.657 3.030 -8.603 1.00 13.00 N ATOM 2 CA GLY A 2 -3.051 1.713 -8.552 1.00 45.03 C ATOM 3 C GLY A 2 -1.948 1.621 -7.516 1.00 50.10 C ATOM 4 O GLY A 2 -2.076 2.157 -6.416 1.00 73.51 O ATOM 0 HA2 GLY A 2 -3.818 0.972 -8.328 1.00 45.03 H new ATOM 0 HA3 GLY A 2 -2.645 1.465 -9.533 1.00 45.03 H new ATOM 8 N ALA A 3 -0.863 0.939 -7.867 1.00 20.22 N ATOM 9 CA ALA A 3 0.266 0.779 -6.960 1.00 34.33 C ATOM 10 C ALA A 3 1.589 0.808 -7.719 1.00 62.11 C ATOM 11 O ALA A 3 2.539 1.471 -7.305 1.00 75.03 O ATOM 12 CB ALA A 3 0.134 -0.517 -6.174 1.00 24.13 C ATOM 0 H ALA A 3 -0.742 0.488 -8.774 1.00 20.22 H new ATOM 0 HA ALA A 3 0.260 1.616 -6.262 1.00 34.33 H new ATOM 0 HB1 ALA A 3 0.985 -0.623 -5.501 1.00 24.13 H new ATOM 0 HB2 ALA A 3 -0.788 -0.498 -5.593 1.00 24.13 H new ATOM 0 HB3 ALA A 3 0.111 -1.360 -6.864 1.00 24.13 H new ATOM 18 N ARG A 4 1.643 0.082 -8.832 1.00 12.35 N ATOM 19 CA ARG A 4 2.849 0.024 -9.648 1.00 53.52 C ATOM 20 C ARG A 4 4.007 -0.584 -8.862 1.00 43.21 C ATOM 21 O ARG A 4 5.115 -0.049 -8.855 1.00 72.14 O ATOM 22 CB ARG A 4 3.229 1.423 -10.135 1.00 63.32 C ATOM 23 CG ARG A 4 4.148 1.416 -11.347 1.00 13.24 C ATOM 24 CD ARG A 4 3.358 1.355 -12.644 1.00 22.25 C ATOM 25 NE ARG A 4 4.229 1.344 -13.816 1.00 34.54 N ATOM 26 CZ ARG A 4 4.951 0.293 -14.186 1.00 64.43 C ATOM 27 NH1 ARG A 4 4.905 -0.829 -13.481 1.00 14.33 N1+ ATOM 28 NH2 ARG A 4 5.721 0.362 -15.266 1.00 40.44 N ATOM 0 H ARG A 4 0.865 -0.474 -9.188 1.00 12.35 H new ATOM 0 HA ARG A 4 2.644 -0.610 -10.511 1.00 53.52 H new ATOM 0 HB2 ARG A 4 2.320 1.972 -10.381 1.00 63.32 H new ATOM 0 HB3 ARG A 4 3.717 1.962 -9.323 1.00 63.32 H new ATOM 0 HG2 ARG A 4 4.769 2.312 -11.340 1.00 13.24 H new ATOM 0 HG3 ARG A 4 4.822 0.561 -11.289 1.00 13.24 H new ATOM 0 HD2 ARG A 4 2.735 0.461 -12.647 1.00 22.25 H new ATOM 0 HD3 ARG A 4 2.686 2.212 -12.700 1.00 22.25 H new ATOM 0 HE ARG A 4 4.286 2.191 -14.382 1.00 34.54 H new ATOM 0 HH11 ARG A 4 4.314 -0.886 -12.652 1.00 14.33 H new ATOM 0 HH12 ARG A 4 5.461 -1.635 -13.768 1.00 14.33 H new ATOM 0 HH21 ARG A 4 5.758 1.223 -15.812 1.00 40.44 H new ATOM 0 HH22 ARG A 4 6.275 -0.446 -15.550 1.00 40.44 H new ATOM 42 N ALA A 5 3.742 -1.706 -8.200 1.00 4.22 N ATOM 43 CA ALA A 5 4.762 -2.388 -7.413 1.00 44.31 C ATOM 44 C ALA A 5 5.553 -3.370 -8.271 1.00 34.42 C ATOM 45 O ALA A 5 5.190 -4.541 -8.386 1.00 74.33 O ATOM 46 CB ALA A 5 4.124 -3.110 -6.235 1.00 2.45 C ATOM 0 H ALA A 5 2.829 -2.162 -8.193 1.00 4.22 H new ATOM 0 HA ALA A 5 5.455 -1.637 -7.034 1.00 44.31 H new ATOM 0 HB1 ALA A 5 4.897 -3.615 -5.656 1.00 2.45 H new ATOM 0 HB2 ALA A 5 3.609 -2.388 -5.601 1.00 2.45 H new ATOM 0 HB3 ALA A 5 3.408 -3.845 -6.603 1.00 2.45 H new ATOM 52 N SER A 6 6.635 -2.884 -8.872 1.00 4.22 N ATOM 53 CA SER A 6 7.474 -3.718 -9.723 1.00 30.41 C ATOM 54 C SER A 6 8.417 -4.576 -8.884 1.00 31.42 C ATOM 55 O SER A 6 9.131 -4.069 -8.018 1.00 5.14 O ATOM 56 CB SER A 6 8.282 -2.847 -10.688 1.00 42.10 C ATOM 57 OG SER A 6 8.183 -3.331 -12.017 1.00 51.23 O ATOM 0 H SER A 6 6.950 -1.918 -8.785 1.00 4.22 H new ATOM 0 HA SER A 6 6.824 -4.378 -10.297 1.00 30.41 H new ATOM 0 HB2 SER A 6 7.921 -1.819 -10.644 1.00 42.10 H new ATOM 0 HB3 SER A 6 9.328 -2.831 -10.380 1.00 42.10 H new ATOM 0 HG SER A 6 8.706 -2.757 -12.614 1.00 51.23 H new ATOM 63 N VAL A 7 8.414 -5.879 -9.148 1.00 34.13 N ATOM 64 CA VAL A 7 9.269 -6.807 -8.419 1.00 42.22 C ATOM 65 C VAL A 7 10.714 -6.714 -8.895 1.00 22.42 C ATOM 66 O VAL A 7 11.642 -6.647 -8.088 1.00 42.23 O ATOM 67 CB VAL A 7 8.781 -8.260 -8.576 1.00 14.24 C ATOM 68 CG1 VAL A 7 9.578 -9.192 -7.677 1.00 74.05 C ATOM 69 CG2 VAL A 7 7.293 -8.358 -8.274 1.00 32.21 C ATOM 0 H VAL A 7 7.829 -6.315 -9.861 1.00 34.13 H new ATOM 0 HA VAL A 7 9.218 -6.525 -7.367 1.00 42.22 H new ATOM 0 HB VAL A 7 8.940 -8.568 -9.609 1.00 14.24 H new ATOM 0 HG11 VAL A 7 9.219 -10.213 -7.802 1.00 74.05 H new ATOM 0 HG12 VAL A 7 10.633 -9.143 -7.946 1.00 74.05 H new ATOM 0 HG13 VAL A 7 9.454 -8.889 -6.637 1.00 74.05 H new ATOM 0 HG21 VAL A 7 6.965 -9.391 -8.390 1.00 32.21 H new ATOM 0 HG22 VAL A 7 7.107 -8.031 -7.251 1.00 32.21 H new ATOM 0 HG23 VAL A 7 6.739 -7.722 -8.965 1.00 32.21 H new ATOM 79 N LEU A 8 10.899 -6.710 -10.211 1.00 33.04 N ATOM 80 CA LEU A 8 12.232 -6.624 -10.796 1.00 23.10 C ATOM 81 C LEU A 8 12.460 -5.258 -11.434 1.00 34.35 C ATOM 82 O LEU A 8 11.567 -4.705 -12.077 1.00 22.00 O ATOM 83 CB LEU A 8 12.424 -7.725 -11.841 1.00 42.31 C ATOM 84 CG LEU A 8 12.611 -9.142 -11.296 1.00 71.20 C ATOM 85 CD1 LEU A 8 12.609 -10.154 -12.430 1.00 43.04 C ATOM 86 CD2 LEU A 8 13.901 -9.239 -10.494 1.00 31.41 C ATOM 0 H LEU A 8 10.142 -6.765 -10.893 1.00 33.04 H new ATOM 0 HA LEU A 8 12.961 -6.758 -9.997 1.00 23.10 H new ATOM 0 HB2 LEU A 8 11.559 -7.723 -12.504 1.00 42.31 H new ATOM 0 HB3 LEU A 8 13.293 -7.473 -12.449 1.00 42.31 H new ATOM 0 HG LEU A 8 11.776 -9.369 -10.633 1.00 71.20 H new ATOM 0 HD11 LEU A 8 12.743 -11.156 -12.023 1.00 43.04 H new ATOM 0 HD12 LEU A 8 11.659 -10.102 -12.962 1.00 43.04 H new ATOM 0 HD13 LEU A 8 13.423 -9.930 -13.119 1.00 43.04 H new ATOM 0 HD21 LEU A 8 14.018 -10.254 -10.114 1.00 31.41 H new ATOM 0 HD22 LEU A 8 14.747 -8.992 -11.135 1.00 31.41 H new ATOM 0 HD23 LEU A 8 13.863 -8.541 -9.658 1.00 31.41 H new ATOM 98 N SER A 9 13.661 -4.718 -11.253 1.00 20.54 N ATOM 99 CA SER A 9 14.005 -3.415 -11.809 1.00 60.42 C ATOM 100 C SER A 9 14.374 -3.535 -13.286 1.00 54.15 C ATOM 101 O SER A 9 14.243 -4.601 -13.885 1.00 53.11 O ATOM 102 CB SER A 9 15.168 -2.795 -11.030 1.00 25.10 C ATOM 103 OG SER A 9 16.415 -3.209 -11.561 1.00 52.23 O ATOM 0 H SER A 9 14.412 -5.163 -10.726 1.00 20.54 H new ATOM 0 HA SER A 9 13.132 -2.768 -11.721 1.00 60.42 H new ATOM 0 HB2 SER A 9 15.096 -1.708 -11.067 1.00 25.10 H new ATOM 0 HB3 SER A 9 15.102 -3.083 -9.981 1.00 25.10 H new ATOM 0 HG SER A 9 17.142 -2.798 -11.048 1.00 52.23 H new ATOM 109 N GLY A 10 14.837 -2.431 -13.864 1.00 65.24 N ATOM 110 CA GLY A 10 15.218 -2.432 -15.265 1.00 72.14 C ATOM 111 C GLY A 10 16.308 -3.442 -15.568 1.00 32.41 C ATOM 112 O GLY A 10 16.183 -4.241 -16.495 1.00 71.44 O ATOM 0 H GLY A 10 14.955 -1.537 -13.388 1.00 65.24 H new ATOM 0 HA2 GLY A 10 14.343 -2.652 -15.876 1.00 72.14 H new ATOM 0 HA3 GLY A 10 15.561 -1.436 -15.546 1.00 72.14 H new ATOM 116 N GLY A 11 17.383 -3.403 -14.786 1.00 4.21 N ATOM 117 CA GLY A 11 18.484 -4.325 -14.993 1.00 73.34 C ATOM 118 C GLY A 11 18.091 -5.766 -14.735 1.00 32.22 C ATOM 119 O GLY A 11 18.483 -6.665 -15.478 1.00 4.23 O ATOM 0 H GLY A 11 17.511 -2.750 -14.013 1.00 4.21 H new ATOM 0 HA2 GLY A 11 18.847 -4.228 -16.016 1.00 73.34 H new ATOM 0 HA3 GLY A 11 19.310 -4.054 -14.335 1.00 73.34 H new ATOM 123 N GLU A 12 17.316 -5.986 -13.678 1.00 51.31 N ATOM 124 CA GLU A 12 16.872 -7.329 -13.323 1.00 3.32 C ATOM 125 C GLU A 12 15.909 -7.878 -14.372 1.00 23.11 C ATOM 126 O GLU A 12 15.895 -9.079 -14.650 1.00 11.33 O ATOM 127 CB GLU A 12 16.197 -7.322 -11.950 1.00 21.35 C ATOM 128 CG GLU A 12 16.960 -6.529 -10.902 1.00 54.13 C ATOM 129 CD GLU A 12 16.357 -6.662 -9.517 1.00 12.10 C ATOM 130 OE1 GLU A 12 15.263 -6.102 -9.290 1.00 22.52 O ATOM 131 OE2 GLU A 12 16.977 -7.325 -8.659 1.00 21.43 O1- ATOM 0 H GLU A 12 16.983 -5.252 -13.053 1.00 51.31 H new ATOM 0 HA GLU A 12 17.749 -7.975 -13.285 1.00 3.32 H new ATOM 0 HB2 GLU A 12 15.194 -6.906 -12.049 1.00 21.35 H new ATOM 0 HB3 GLU A 12 16.083 -8.350 -11.605 1.00 21.35 H new ATOM 0 HG2 GLU A 12 17.996 -6.868 -10.878 1.00 54.13 H new ATOM 0 HG3 GLU A 12 16.976 -5.477 -11.188 1.00 54.13 H new ATOM 138 N LEU A 13 15.105 -6.993 -14.950 1.00 31.41 N ATOM 139 CA LEU A 13 14.138 -7.388 -15.968 1.00 5.11 C ATOM 140 C LEU A 13 14.839 -8.003 -17.176 1.00 0.25 C ATOM 141 O LEU A 13 14.426 -9.048 -17.680 1.00 32.41 O ATOM 142 CB LEU A 13 13.308 -6.180 -16.407 1.00 53.42 C ATOM 143 CG LEU A 13 12.051 -6.490 -17.222 1.00 34.01 C ATOM 144 CD1 LEU A 13 11.070 -7.310 -16.399 1.00 1.43 C ATOM 145 CD2 LEU A 13 11.399 -5.203 -17.706 1.00 42.43 C ATOM 0 H LEU A 13 15.103 -5.997 -14.731 1.00 31.41 H new ATOM 0 HA LEU A 13 13.477 -8.138 -15.534 1.00 5.11 H new ATOM 0 HB2 LEU A 13 13.012 -5.625 -15.517 1.00 53.42 H new ATOM 0 HB3 LEU A 13 13.946 -5.521 -16.996 1.00 53.42 H new ATOM 0 HG LEU A 13 12.341 -7.077 -18.093 1.00 34.01 H new ATOM 0 HD11 LEU A 13 10.182 -7.521 -16.995 1.00 1.43 H new ATOM 0 HD12 LEU A 13 11.539 -8.248 -16.102 1.00 1.43 H new ATOM 0 HD13 LEU A 13 10.785 -6.750 -15.509 1.00 1.43 H new ATOM 0 HD21 LEU A 13 10.506 -5.442 -18.284 1.00 42.43 H new ATOM 0 HD22 LEU A 13 11.122 -4.590 -16.848 1.00 42.43 H new ATOM 0 HD23 LEU A 13 12.101 -4.653 -18.333 1.00 42.43 H new ATOM 157 N ASP A 14 15.901 -7.349 -17.633 1.00 32.15 N ATOM 158 CA ASP A 14 16.662 -7.833 -18.780 1.00 0.41 C ATOM 159 C ASP A 14 17.106 -9.276 -18.566 1.00 73.41 C ATOM 160 O ASP A 14 16.862 -10.144 -19.405 1.00 74.43 O ATOM 161 CB ASP A 14 17.880 -6.941 -19.023 1.00 64.24 C ATOM 162 CG ASP A 14 17.900 -6.357 -20.422 1.00 3.14 C ATOM 163 OD1 ASP A 14 16.851 -5.843 -20.865 1.00 62.42 O1- ATOM 164 OD2 ASP A 14 18.963 -6.415 -21.075 1.00 61.21 O ATOM 0 H ASP A 14 16.255 -6.483 -17.227 1.00 32.15 H new ATOM 0 HA ASP A 14 16.015 -7.797 -19.657 1.00 0.41 H new ATOM 0 HB2 ASP A 14 17.884 -6.131 -18.294 1.00 64.24 H new ATOM 0 HB3 ASP A 14 18.789 -7.520 -18.861 1.00 64.24 H new ATOM 169 N LYS A 15 17.763 -9.527 -17.438 1.00 3.51 N ATOM 170 CA LYS A 15 18.243 -10.864 -17.113 1.00 45.50 C ATOM 171 C LYS A 15 17.077 -11.833 -16.935 1.00 11.20 C ATOM 172 O LYS A 15 17.124 -12.969 -17.407 1.00 60.43 O ATOM 173 CB LYS A 15 19.089 -10.830 -15.839 1.00 11.11 C ATOM 174 CG LYS A 15 20.292 -9.907 -15.933 1.00 61.31 C ATOM 175 CD LYS A 15 21.423 -10.545 -16.724 1.00 12.20 C ATOM 176 CE LYS A 15 21.735 -9.754 -17.984 1.00 70.45 C ATOM 177 NZ LYS A 15 22.329 -10.615 -19.045 1.00 21.54 N1+ ATOM 0 H LYS A 15 17.975 -8.821 -16.733 1.00 3.51 H new ATOM 0 HA LYS A 15 18.859 -11.212 -17.942 1.00 45.50 H new ATOM 0 HB2 LYS A 15 18.463 -10.513 -15.005 1.00 11.11 H new ATOM 0 HB3 LYS A 15 19.433 -11.840 -15.614 1.00 11.11 H new ATOM 0 HG2 LYS A 15 19.998 -8.971 -16.408 1.00 61.31 H new ATOM 0 HG3 LYS A 15 20.642 -9.660 -14.931 1.00 61.31 H new ATOM 0 HD2 LYS A 15 22.315 -10.606 -16.101 1.00 12.20 H new ATOM 0 HD3 LYS A 15 21.151 -11.566 -16.992 1.00 12.20 H new ATOM 0 HE2 LYS A 15 20.821 -9.293 -18.359 1.00 70.45 H new ATOM 0 HE3 LYS A 15 22.425 -8.945 -17.744 1.00 70.45 H new ATOM 0 HZ1 LYS A 15 22.528 -10.040 -19.888 1.00 21.54 H new ATOM 0 HZ2 LYS A 15 23.214 -11.035 -18.696 1.00 21.54 H new ATOM 0 HZ3 LYS A 15 21.660 -11.372 -19.292 1.00 21.54 H new ATOM 191 N TRP A 16 16.033 -11.375 -16.253 1.00 23.34 N ATOM 192 CA TRP A 16 14.854 -12.201 -16.015 1.00 21.40 C ATOM 193 C TRP A 16 14.312 -12.767 -17.324 1.00 73.53 C ATOM 194 O TRP A 16 14.104 -13.973 -17.448 1.00 23.00 O ATOM 195 CB TRP A 16 13.769 -11.386 -15.310 1.00 63.43 C ATOM 196 CG TRP A 16 12.474 -12.125 -15.161 1.00 33.01 C ATOM 197 CD1 TRP A 16 11.381 -12.036 -15.975 1.00 32.41 C ATOM 198 CD2 TRP A 16 12.136 -13.063 -14.134 1.00 65.40 C ATOM 199 NE1 TRP A 16 10.384 -12.863 -15.517 1.00 31.31 N ATOM 200 CE2 TRP A 16 10.822 -13.505 -14.389 1.00 74.33 C ATOM 201 CE3 TRP A 16 12.815 -13.575 -13.026 1.00 40.12 C ATOM 202 CZ2 TRP A 16 10.178 -14.432 -13.575 1.00 10.00 C ATOM 203 CZ3 TRP A 16 12.175 -14.496 -12.219 1.00 15.44 C ATOM 204 CH2 TRP A 16 10.867 -14.917 -12.496 1.00 12.23 C ATOM 0 H TRP A 16 15.979 -10.437 -15.855 1.00 23.34 H new ATOM 0 HA TRP A 16 15.147 -13.033 -15.375 1.00 21.40 H new ATOM 0 HB2 TRP A 16 14.128 -11.094 -14.323 1.00 63.43 H new ATOM 0 HB3 TRP A 16 13.593 -10.468 -15.870 1.00 63.43 H new ATOM 0 HD1 TRP A 16 11.311 -11.408 -16.851 1.00 32.41 H new ATOM 0 HE1 TRP A 16 9.467 -12.980 -15.947 1.00 31.31 H new ATOM 0 HE3 TRP A 16 13.823 -13.257 -12.804 1.00 40.12 H new ATOM 0 HZ2 TRP A 16 9.170 -14.757 -13.787 1.00 10.00 H new ATOM 0 HZ3 TRP A 16 12.691 -14.898 -11.360 1.00 15.44 H new ATOM 0 HH2 TRP A 16 10.394 -15.638 -11.846 1.00 12.23 H new ATOM 215 N GLU A 17 14.088 -11.888 -18.295 1.00 64.11 N ATOM 216 CA GLU A 17 13.571 -12.303 -19.595 1.00 13.41 C ATOM 217 C GLU A 17 14.517 -13.293 -20.267 1.00 54.13 C ATOM 218 O GLU A 17 14.098 -14.112 -21.086 1.00 34.31 O ATOM 219 CB GLU A 17 13.362 -11.086 -20.497 1.00 33.45 C ATOM 220 CG GLU A 17 12.129 -10.271 -20.145 1.00 70.20 C ATOM 221 CD GLU A 17 11.717 -9.326 -21.257 1.00 23.22 C ATOM 222 OE1 GLU A 17 11.124 -9.798 -22.249 1.00 41.31 O1- ATOM 223 OE2 GLU A 17 11.989 -8.113 -21.136 1.00 40.41 O ATOM 0 H GLU A 17 14.256 -10.886 -18.207 1.00 64.11 H new ATOM 0 HA GLU A 17 12.612 -12.796 -19.435 1.00 13.41 H new ATOM 0 HB2 GLU A 17 14.241 -10.444 -20.436 1.00 33.45 H new ATOM 0 HB3 GLU A 17 13.283 -11.420 -21.531 1.00 33.45 H new ATOM 0 HG2 GLU A 17 11.303 -10.947 -19.923 1.00 70.20 H new ATOM 0 HG3 GLU A 17 12.324 -9.697 -19.239 1.00 70.20 H new ATOM 230 N LYS A 18 15.796 -13.212 -19.916 1.00 33.35 N ATOM 231 CA LYS A 18 16.804 -14.099 -20.484 1.00 11.33 C ATOM 232 C LYS A 18 16.712 -15.491 -19.867 1.00 61.13 C ATOM 233 O LYS A 18 16.680 -16.494 -20.579 1.00 42.11 O ATOM 234 CB LYS A 18 18.204 -13.522 -20.263 1.00 54.41 C ATOM 235 CG LYS A 18 19.221 -13.979 -21.294 1.00 10.45 C ATOM 236 CD LYS A 18 20.620 -14.042 -20.707 1.00 64.32 C ATOM 237 CE LYS A 18 21.240 -15.420 -20.890 1.00 0.31 C ATOM 238 NZ LYS A 18 22.703 -15.339 -21.156 1.00 1.40 N1+ ATOM 0 H LYS A 18 16.159 -12.540 -19.240 1.00 33.35 H new ATOM 0 HA LYS A 18 16.618 -14.182 -21.555 1.00 11.33 H new ATOM 0 HB2 LYS A 18 18.146 -12.434 -20.280 1.00 54.41 H new ATOM 0 HB3 LYS A 18 18.553 -13.807 -19.270 1.00 54.41 H new ATOM 0 HG2 LYS A 18 18.940 -14.962 -21.673 1.00 10.45 H new ATOM 0 HG3 LYS A 18 19.212 -13.295 -22.143 1.00 10.45 H new ATOM 0 HD2 LYS A 18 21.250 -13.292 -21.185 1.00 64.32 H new ATOM 0 HD3 LYS A 18 20.582 -13.797 -19.646 1.00 64.32 H new ATOM 0 HE2 LYS A 18 21.066 -16.018 -19.996 1.00 0.31 H new ATOM 0 HE3 LYS A 18 20.748 -15.933 -21.717 1.00 0.31 H new ATOM 0 HZ1 LYS A 18 23.088 -16.298 -21.275 1.00 1.40 H new ATOM 0 HZ2 LYS A 18 22.868 -14.790 -22.024 1.00 1.40 H new ATOM 0 HZ3 LYS A 18 23.176 -14.873 -20.356 1.00 1.40 H new ATOM 252 N ILE A 19 16.670 -15.544 -18.540 1.00 75.22 N ATOM 253 CA ILE A 19 16.580 -16.812 -17.828 1.00 64.14 C ATOM 254 C ILE A 19 15.429 -17.660 -18.360 1.00 12.30 C ATOM 255 O ILE A 19 14.351 -17.145 -18.656 1.00 13.51 O ATOM 256 CB ILE A 19 16.389 -16.597 -16.316 1.00 12.43 C ATOM 257 CG1 ILE A 19 17.547 -15.776 -15.744 1.00 5.21 C ATOM 258 CG2 ILE A 19 16.277 -17.935 -15.600 1.00 2.01 C ATOM 259 CD1 ILE A 19 17.100 -14.661 -14.825 1.00 71.52 C ATOM 0 H ILE A 19 16.697 -14.722 -17.936 1.00 75.22 H new ATOM 0 HA ILE A 19 17.521 -17.335 -17.995 1.00 64.14 H new ATOM 0 HB ILE A 19 15.463 -16.044 -16.158 1.00 12.43 H new ATOM 0 HG12 ILE A 19 18.217 -16.440 -15.198 1.00 5.21 H new ATOM 0 HG13 ILE A 19 18.121 -15.350 -16.567 1.00 5.21 H new ATOM 0 HG21 ILE A 19 16.142 -17.766 -14.532 1.00 2.01 H new ATOM 0 HG22 ILE A 19 15.422 -18.486 -15.991 1.00 2.01 H new ATOM 0 HG23 ILE A 19 17.187 -18.513 -15.764 1.00 2.01 H new ATOM 0 HD11 ILE A 19 17.972 -14.121 -14.457 1.00 71.52 H new ATOM 0 HD12 ILE A 19 16.454 -13.975 -15.373 1.00 71.52 H new ATOM 0 HD13 ILE A 19 16.551 -15.082 -13.982 1.00 71.52 H new ATOM 271 N ARG A 20 15.665 -18.962 -18.476 1.00 63.52 N ATOM 272 CA ARG A 20 14.648 -19.882 -18.972 1.00 71.53 C ATOM 273 C ARG A 20 14.019 -20.667 -17.824 1.00 72.34 C ATOM 274 O ARG A 20 14.620 -20.818 -16.760 1.00 53.04 O ATOM 275 CB ARG A 20 15.256 -20.847 -19.991 1.00 32.33 C ATOM 276 CG ARG A 20 15.463 -20.230 -21.365 1.00 70.11 C ATOM 277 CD ARG A 20 15.925 -21.267 -22.377 1.00 44.04 C ATOM 278 NE ARG A 20 17.212 -20.917 -22.971 1.00 21.41 N ATOM 279 CZ ARG A 20 17.365 -19.970 -23.891 1.00 41.43 C ATOM 280 NH1 ARG A 20 16.314 -19.282 -24.318 1.00 71.21 N1+ ATOM 281 NH2 ARG A 20 18.568 -19.709 -24.383 1.00 22.43 N ATOM 0 H ARG A 20 16.552 -19.404 -18.233 1.00 63.52 H new ATOM 0 HA ARG A 20 13.869 -19.295 -19.458 1.00 71.53 H new ATOM 0 HB2 ARG A 20 16.214 -21.204 -19.614 1.00 32.33 H new ATOM 0 HB3 ARG A 20 14.607 -21.717 -20.087 1.00 32.33 H new ATOM 0 HG2 ARG A 20 14.532 -19.777 -21.706 1.00 70.11 H new ATOM 0 HG3 ARG A 20 16.201 -19.431 -21.299 1.00 70.11 H new ATOM 0 HD2 ARG A 20 16.003 -22.239 -21.890 1.00 44.04 H new ATOM 0 HD3 ARG A 20 15.177 -21.364 -23.164 1.00 44.04 H new ATOM 0 HE ARG A 20 18.040 -21.428 -22.663 1.00 21.41 H new ATOM 0 HH11 ARG A 20 15.387 -19.480 -23.940 1.00 71.21 H new ATOM 0 HH12 ARG A 20 16.433 -18.555 -25.024 1.00 71.21 H new ATOM 0 HH21 ARG A 20 19.378 -20.235 -24.056 1.00 22.43 H new ATOM 0 HH22 ARG A 20 18.684 -18.982 -25.089 1.00 22.43 H new ATOM 295 N LEU A 21 12.808 -21.163 -18.047 1.00 63.52 N ATOM 296 CA LEU A 21 12.097 -21.932 -17.032 1.00 60.13 C ATOM 297 C LEU A 21 12.701 -23.325 -16.882 1.00 64.52 C ATOM 298 O LEU A 21 12.667 -23.914 -15.801 1.00 24.31 O ATOM 299 CB LEU A 21 10.615 -22.043 -17.393 1.00 4.21 C ATOM 300 CG LEU A 21 9.902 -20.730 -17.714 1.00 33.13 C ATOM 301 CD1 LEU A 21 8.978 -20.901 -18.909 1.00 62.20 C ATOM 302 CD2 LEU A 21 9.124 -20.235 -16.503 1.00 34.12 C ATOM 0 H LEU A 21 12.297 -21.047 -18.922 1.00 63.52 H new ATOM 0 HA LEU A 21 12.195 -21.409 -16.081 1.00 60.13 H new ATOM 0 HB2 LEU A 21 10.520 -22.705 -18.254 1.00 4.21 H new ATOM 0 HB3 LEU A 21 10.095 -22.522 -16.564 1.00 4.21 H new ATOM 0 HG LEU A 21 10.655 -19.984 -17.967 1.00 33.13 H new ATOM 0 HD11 LEU A 21 8.480 -19.955 -19.122 1.00 62.20 H new ATOM 0 HD12 LEU A 21 9.560 -21.208 -19.778 1.00 62.20 H new ATOM 0 HD13 LEU A 21 8.231 -21.663 -18.685 1.00 62.20 H new ATOM 0 HD21 LEU A 21 8.623 -19.299 -16.750 1.00 34.12 H new ATOM 0 HD22 LEU A 21 8.381 -20.980 -16.218 1.00 34.12 H new ATOM 0 HD23 LEU A 21 9.810 -20.071 -15.672 1.00 34.12 H new ATOM 314 N ARG A 22 13.256 -23.845 -17.973 1.00 12.23 N ATOM 315 CA ARG A 22 13.868 -25.168 -17.962 1.00 52.40 C ATOM 316 C ARG A 22 15.200 -25.156 -18.707 1.00 11.14 C ATOM 317 O ARG A 22 15.473 -24.279 -19.527 1.00 0.12 O ATOM 318 CB ARG A 22 12.927 -26.195 -18.594 1.00 34.15 C ATOM 319 CG ARG A 22 12.079 -26.947 -17.583 1.00 51.21 C ATOM 320 CD ARG A 22 11.599 -28.279 -18.138 1.00 61.01 C ATOM 321 NE ARG A 22 10.894 -29.069 -17.133 1.00 2.15 N ATOM 322 CZ ARG A 22 10.496 -30.322 -17.329 1.00 71.33 C ATOM 323 NH1 ARG A 22 10.737 -30.923 -18.486 1.00 0.20 N1+ ATOM 324 NH2 ARG A 22 9.859 -30.976 -16.366 1.00 75.42 N ATOM 0 H ARG A 22 13.294 -23.370 -18.875 1.00 12.23 H new ATOM 0 HA ARG A 22 14.053 -25.447 -16.925 1.00 52.40 H new ATOM 0 HB2 ARG A 22 12.270 -25.687 -19.300 1.00 34.15 H new ATOM 0 HB3 ARG A 22 13.516 -26.912 -19.166 1.00 34.15 H new ATOM 0 HG2 ARG A 22 12.659 -27.117 -16.676 1.00 51.21 H new ATOM 0 HG3 ARG A 22 11.220 -26.338 -17.303 1.00 51.21 H new ATOM 0 HD2 ARG A 22 10.939 -28.101 -18.987 1.00 61.01 H new ATOM 0 HD3 ARG A 22 12.453 -28.845 -18.511 1.00 61.01 H new ATOM 0 HE ARG A 22 10.696 -28.636 -16.231 1.00 2.15 H new ATOM 0 HH11 ARG A 22 11.229 -30.424 -19.227 1.00 0.20 H new ATOM 0 HH12 ARG A 22 10.431 -31.885 -18.635 1.00 0.20 H new ATOM 0 HH21 ARG A 22 9.674 -30.517 -15.474 1.00 75.42 H new ATOM 0 HH22 ARG A 22 9.554 -31.937 -16.518 1.00 75.42 H new ATOM 338 N PRO A 23 16.050 -26.152 -18.416 1.00 14.24 N ATOM 339 CA PRO A 23 17.366 -26.278 -19.047 1.00 63.23 C ATOM 340 C PRO A 23 17.269 -26.661 -20.520 1.00 60.24 C ATOM 341 O PRO A 23 17.967 -26.101 -21.364 1.00 71.44 O ATOM 342 CB PRO A 23 18.037 -27.399 -18.247 1.00 35.02 C ATOM 343 CG PRO A 23 16.908 -28.204 -17.704 1.00 41.04 C ATOM 344 CD PRO A 23 15.790 -27.231 -17.448 1.00 63.43 C ATOM 0 HA PRO A 23 17.916 -25.337 -19.033 1.00 63.23 H new ATOM 0 HB2 PRO A 23 18.686 -28.004 -18.880 1.00 35.02 H new ATOM 0 HB3 PRO A 23 18.658 -26.997 -17.446 1.00 35.02 H new ATOM 0 HG2 PRO A 23 16.601 -28.973 -18.413 1.00 41.04 H new ATOM 0 HG3 PRO A 23 17.199 -28.714 -16.786 1.00 41.04 H new ATOM 0 HD2 PRO A 23 14.814 -27.689 -17.609 1.00 63.43 H new ATOM 0 HD3 PRO A 23 15.804 -26.863 -16.422 1.00 63.43 H new ATOM 352 N GLY A 24 16.397 -27.618 -20.822 1.00 62.02 N ATOM 353 CA GLY A 24 16.225 -28.059 -22.193 1.00 24.34 C ATOM 354 C GLY A 24 14.892 -27.630 -22.777 1.00 41.04 C ATOM 355 O GLY A 24 14.269 -28.375 -23.530 1.00 5.23 O ATOM 0 H GLY A 24 15.807 -28.096 -20.141 1.00 62.02 H new ATOM 0 HA2 GLY A 24 17.033 -27.657 -22.805 1.00 24.34 H new ATOM 0 HA3 GLY A 24 16.304 -29.145 -22.235 1.00 24.34 H new ATOM 359 N GLY A 25 14.455 -26.425 -22.426 1.00 13.21 N ATOM 360 CA GLY A 25 13.189 -25.920 -22.926 1.00 65.30 C ATOM 361 C GLY A 25 13.365 -24.997 -24.116 1.00 4.23 C ATOM 362 O GLY A 25 14.486 -24.740 -24.554 1.00 40.35 O ATOM 0 H GLY A 25 14.955 -25.789 -21.804 1.00 13.21 H new ATOM 0 HA2 GLY A 25 12.553 -26.758 -23.211 1.00 65.30 H new ATOM 0 HA3 GLY A 25 12.673 -25.386 -22.128 1.00 65.30 H new ATOM 366 N LYS A 26 12.252 -24.499 -24.645 1.00 51.30 N ATOM 367 CA LYS A 26 12.285 -23.600 -25.792 1.00 23.52 C ATOM 368 C LYS A 26 11.556 -22.296 -25.484 1.00 14.31 C ATOM 369 O LYS A 26 11.035 -21.635 -26.382 1.00 65.10 O ATOM 370 CB LYS A 26 11.652 -24.273 -27.012 1.00 73.50 C ATOM 371 CG LYS A 26 12.329 -23.913 -28.324 1.00 64.11 C ATOM 372 CD LYS A 26 11.607 -24.528 -29.511 1.00 1.34 C ATOM 373 CE LYS A 26 10.753 -23.499 -30.238 1.00 64.12 C ATOM 374 NZ LYS A 26 10.048 -24.092 -31.408 1.00 21.34 N1+ ATOM 0 H LYS A 26 11.315 -24.703 -24.297 1.00 51.30 H new ATOM 0 HA LYS A 26 13.328 -23.370 -26.011 1.00 23.52 H new ATOM 0 HB2 LYS A 26 11.687 -25.354 -26.879 1.00 73.50 H new ATOM 0 HB3 LYS A 26 10.600 -23.993 -27.066 1.00 73.50 H new ATOM 0 HG2 LYS A 26 12.356 -22.829 -28.435 1.00 64.11 H new ATOM 0 HG3 LYS A 26 13.363 -24.258 -28.308 1.00 64.11 H new ATOM 0 HD2 LYS A 26 12.336 -24.951 -30.202 1.00 1.34 H new ATOM 0 HD3 LYS A 26 10.977 -25.349 -29.169 1.00 1.34 H new ATOM 0 HE2 LYS A 26 10.021 -23.080 -29.547 1.00 64.12 H new ATOM 0 HE3 LYS A 26 11.383 -22.675 -30.573 1.00 64.12 H new ATOM 0 HZ1 LYS A 26 9.477 -23.360 -31.877 1.00 21.34 H new ATOM 0 HZ2 LYS A 26 10.747 -24.469 -32.080 1.00 21.34 H new ATOM 0 HZ3 LYS A 26 9.427 -24.862 -31.086 1.00 21.34 H new ATOM 388 N LYS A 27 11.524 -21.930 -24.207 1.00 55.50 N ATOM 389 CA LYS A 27 10.861 -20.703 -23.778 1.00 24.51 C ATOM 390 C LYS A 27 11.639 -20.028 -22.653 1.00 42.22 C ATOM 391 O LYS A 27 12.326 -20.693 -21.877 1.00 31.13 O ATOM 392 CB LYS A 27 9.433 -21.005 -23.316 1.00 61.23 C ATOM 393 CG LYS A 27 8.464 -19.859 -23.549 1.00 43.14 C ATOM 394 CD LYS A 27 7.520 -20.155 -24.702 1.00 11.11 C ATOM 395 CE LYS A 27 6.635 -18.958 -25.018 1.00 64.02 C ATOM 396 NZ LYS A 27 5.211 -19.356 -25.208 1.00 71.45 N1+ ATOM 0 H LYS A 27 11.950 -22.466 -23.450 1.00 55.50 H new ATOM 0 HA LYS A 27 10.825 -20.023 -24.629 1.00 24.51 H new ATOM 0 HB2 LYS A 27 9.070 -21.889 -23.840 1.00 61.23 H new ATOM 0 HB3 LYS A 27 9.447 -21.247 -22.253 1.00 61.23 H new ATOM 0 HG2 LYS A 27 7.887 -19.679 -22.642 1.00 43.14 H new ATOM 0 HG3 LYS A 27 9.022 -18.946 -23.759 1.00 43.14 H new ATOM 0 HD2 LYS A 27 8.097 -20.426 -25.586 1.00 11.11 H new ATOM 0 HD3 LYS A 27 6.897 -21.014 -24.453 1.00 11.11 H new ATOM 0 HE2 LYS A 27 6.704 -18.231 -24.209 1.00 64.02 H new ATOM 0 HE3 LYS A 27 6.998 -18.466 -25.920 1.00 64.02 H new ATOM 0 HZ1 LYS A 27 4.640 -18.513 -25.421 1.00 71.45 H new ATOM 0 HZ2 LYS A 27 5.141 -20.030 -25.997 1.00 71.45 H new ATOM 0 HZ3 LYS A 27 4.856 -19.803 -24.338 1.00 71.45 H new ATOM 410 N GLN A 28 11.526 -18.707 -22.571 1.00 11.34 N ATOM 411 CA GLN A 28 12.218 -17.944 -21.540 1.00 55.12 C ATOM 412 C GLN A 28 11.244 -17.463 -20.470 1.00 4.21 C ATOM 413 O GLN A 28 10.047 -17.747 -20.534 1.00 1.13 O ATOM 414 CB GLN A 28 12.944 -16.749 -22.161 1.00 14.34 C ATOM 415 CG GLN A 28 13.717 -17.095 -23.423 1.00 14.14 C ATOM 416 CD GLN A 28 12.852 -17.051 -24.667 1.00 0.42 C ATOM 417 OE1 GLN A 28 11.647 -16.804 -24.592 1.00 63.42 O ATOM 418 NE2 GLN A 28 13.462 -17.292 -25.822 1.00 53.01 N ATOM 0 H GLN A 28 10.962 -18.143 -23.206 1.00 11.34 H new ATOM 0 HA GLN A 28 12.950 -18.600 -21.069 1.00 55.12 H new ATOM 0 HB2 GLN A 28 12.215 -15.972 -22.393 1.00 14.34 H new ATOM 0 HB3 GLN A 28 13.632 -16.331 -21.426 1.00 14.34 H new ATOM 0 HG2 GLN A 28 14.548 -16.399 -23.538 1.00 14.14 H new ATOM 0 HG3 GLN A 28 14.148 -18.091 -23.319 1.00 14.14 H new ATOM 0 HE21 GLN A 28 14.462 -17.492 -25.839 1.00 53.01 H new ATOM 0 HE22 GLN A 28 12.930 -17.277 -26.692 1.00 53.01 H new ATOM 427 N TYR A 29 11.762 -16.734 -19.489 1.00 53.04 N ATOM 428 CA TYR A 29 10.938 -16.216 -18.404 1.00 12.32 C ATOM 429 C TYR A 29 10.250 -14.918 -18.815 1.00 11.43 C ATOM 430 O TYR A 29 10.774 -14.151 -19.624 1.00 50.42 O ATOM 431 CB TYR A 29 11.789 -15.981 -17.155 1.00 2.13 C ATOM 432 CG TYR A 29 11.695 -17.098 -16.140 1.00 74.10 C ATOM 433 CD1 TYR A 29 10.583 -17.225 -15.317 1.00 33.53 C ATOM 434 CD2 TYR A 29 12.720 -18.026 -16.003 1.00 60.12 C ATOM 435 CE1 TYR A 29 10.493 -18.242 -14.389 1.00 53.34 C ATOM 436 CE2 TYR A 29 12.638 -19.049 -15.077 1.00 30.20 C ATOM 437 CZ TYR A 29 11.523 -19.153 -14.272 1.00 34.02 C ATOM 438 OH TYR A 29 11.439 -20.168 -13.349 1.00 52.14 O ATOM 0 H TYR A 29 12.750 -16.488 -19.423 1.00 53.04 H new ATOM 0 HA TYR A 29 10.172 -16.958 -18.179 1.00 12.32 H new ATOM 0 HB2 TYR A 29 12.830 -15.858 -17.453 1.00 2.13 H new ATOM 0 HB3 TYR A 29 11.480 -15.047 -16.685 1.00 2.13 H new ATOM 0 HD1 TYR A 29 9.774 -16.515 -15.405 1.00 33.53 H new ATOM 0 HD2 TYR A 29 13.595 -17.947 -16.630 1.00 60.12 H new ATOM 0 HE1 TYR A 29 9.621 -18.325 -13.757 1.00 53.34 H new ATOM 0 HE2 TYR A 29 13.443 -19.763 -14.984 1.00 30.20 H new ATOM 0 HH TYR A 29 12.103 -20.857 -13.559 1.00 52.14 H new ATOM 448 N LYS A 30 9.070 -14.676 -18.252 1.00 53.24 N ATOM 449 CA LYS A 30 8.309 -13.471 -18.555 1.00 23.01 C ATOM 450 C LYS A 30 7.497 -13.020 -17.345 1.00 72.22 C ATOM 451 O LYS A 30 7.353 -13.760 -16.371 1.00 71.24 O ATOM 452 CB LYS A 30 7.377 -13.718 -19.744 1.00 73.20 C ATOM 453 CG LYS A 30 7.507 -12.679 -20.845 1.00 53.23 C ATOM 454 CD LYS A 30 6.940 -13.187 -22.160 1.00 12.24 C ATOM 455 CE LYS A 30 5.672 -12.439 -22.545 1.00 23.42 C ATOM 456 NZ LYS A 30 5.160 -12.865 -23.877 1.00 2.50 N1+ ATOM 0 H LYS A 30 8.620 -15.300 -17.582 1.00 53.24 H new ATOM 0 HA LYS A 30 9.015 -12.681 -18.811 1.00 23.01 H new ATOM 0 HB2 LYS A 30 7.586 -14.704 -20.160 1.00 73.20 H new ATOM 0 HB3 LYS A 30 6.346 -13.733 -19.390 1.00 73.20 H new ATOM 0 HG2 LYS A 30 6.986 -11.768 -20.551 1.00 53.23 H new ATOM 0 HG3 LYS A 30 8.557 -12.417 -20.977 1.00 53.23 H new ATOM 0 HD2 LYS A 30 7.685 -13.072 -22.947 1.00 12.24 H new ATOM 0 HD3 LYS A 30 6.725 -14.252 -22.078 1.00 12.24 H new ATOM 0 HE2 LYS A 30 4.905 -12.611 -21.789 1.00 23.42 H new ATOM 0 HE3 LYS A 30 5.872 -11.368 -22.558 1.00 23.42 H new ATOM 0 HZ1 LYS A 30 4.296 -12.333 -24.103 1.00 2.50 H new ATOM 0 HZ2 LYS A 30 5.882 -12.678 -24.602 1.00 2.50 H new ATOM 0 HZ3 LYS A 30 4.945 -13.882 -23.857 1.00 2.50 H new ATOM 470 N LEU A 31 6.966 -11.804 -17.414 1.00 62.33 N ATOM 471 CA LEU A 31 6.167 -11.256 -16.324 1.00 33.25 C ATOM 472 C LEU A 31 5.028 -12.200 -15.955 1.00 71.35 C ATOM 473 O LEU A 31 4.570 -12.222 -14.812 1.00 63.35 O ATOM 474 CB LEU A 31 5.604 -9.888 -16.717 1.00 54.55 C ATOM 475 CG LEU A 31 6.564 -8.705 -16.586 1.00 3.51 C ATOM 476 CD1 LEU A 31 6.219 -7.625 -17.598 1.00 33.42 C ATOM 477 CD2 LEU A 31 6.529 -8.144 -15.171 1.00 61.40 C ATOM 0 H LEU A 31 7.074 -11.179 -18.213 1.00 62.33 H new ATOM 0 HA LEU A 31 6.814 -11.141 -15.454 1.00 33.25 H new ATOM 0 HB2 LEU A 31 5.263 -9.941 -17.751 1.00 54.55 H new ATOM 0 HB3 LEU A 31 4.727 -9.688 -16.102 1.00 54.55 H new ATOM 0 HG LEU A 31 7.575 -9.057 -16.791 1.00 3.51 H new ATOM 0 HD11 LEU A 31 6.912 -6.791 -17.490 1.00 33.42 H new ATOM 0 HD12 LEU A 31 6.296 -8.033 -18.606 1.00 33.42 H new ATOM 0 HD13 LEU A 31 5.201 -7.276 -17.424 1.00 33.42 H new ATOM 0 HD21 LEU A 31 7.218 -7.303 -15.096 1.00 61.40 H new ATOM 0 HD22 LEU A 31 5.519 -7.807 -14.938 1.00 61.40 H new ATOM 0 HD23 LEU A 31 6.825 -8.920 -14.465 1.00 61.40 H new ATOM 489 N LYS A 32 4.576 -12.982 -16.929 1.00 12.40 N ATOM 490 CA LYS A 32 3.492 -13.932 -16.707 1.00 62.04 C ATOM 491 C LYS A 32 3.786 -14.820 -15.501 1.00 24.02 C ATOM 492 O LYS A 32 2.872 -15.236 -14.787 1.00 32.13 O ATOM 493 CB LYS A 32 3.283 -14.798 -17.952 1.00 20.31 C ATOM 494 CG LYS A 32 2.301 -14.205 -18.947 1.00 5.31 C ATOM 495 CD LYS A 32 2.250 -15.015 -20.231 1.00 41.13 C ATOM 496 CE LYS A 32 1.247 -16.155 -20.131 1.00 21.40 C ATOM 497 NZ LYS A 32 1.764 -17.406 -20.754 1.00 33.54 N1+ ATOM 0 H LYS A 32 4.944 -12.977 -17.880 1.00 12.40 H new ATOM 0 HA LYS A 32 2.582 -13.367 -16.507 1.00 62.04 H new ATOM 0 HB2 LYS A 32 4.243 -14.947 -18.446 1.00 20.31 H new ATOM 0 HB3 LYS A 32 2.927 -15.781 -17.645 1.00 20.31 H new ATOM 0 HG2 LYS A 32 1.307 -14.167 -18.500 1.00 5.31 H new ATOM 0 HG3 LYS A 32 2.588 -13.178 -19.175 1.00 5.31 H new ATOM 0 HD2 LYS A 32 1.981 -14.364 -21.063 1.00 41.13 H new ATOM 0 HD3 LYS A 32 3.239 -15.417 -20.448 1.00 41.13 H new ATOM 0 HE2 LYS A 32 1.013 -16.341 -19.083 1.00 21.40 H new ATOM 0 HE3 LYS A 32 0.317 -15.864 -20.619 1.00 21.40 H new ATOM 0 HZ1 LYS A 32 1.051 -18.158 -20.665 1.00 33.54 H new ATOM 0 HZ2 LYS A 32 1.964 -17.236 -21.760 1.00 33.54 H new ATOM 0 HZ3 LYS A 32 2.638 -17.698 -20.272 1.00 33.54 H new ATOM 511 N HIS A 33 5.064 -15.106 -15.280 1.00 51.23 N ATOM 512 CA HIS A 33 5.479 -15.943 -14.158 1.00 2.11 C ATOM 513 C HIS A 33 5.591 -15.118 -12.879 1.00 64.15 C ATOM 514 O HIS A 33 5.322 -15.682 -11.818 1.00 32.33 O ATOM 515 CB HIS A 33 6.816 -16.617 -14.463 1.00 30.43 C ATOM 516 CG HIS A 33 6.865 -17.269 -15.811 1.00 1.33 C ATOM 517 ND1 HIS A 33 7.734 -16.876 -16.806 1.00 61.25 N ATOM 518 CD2 HIS A 33 6.145 -18.292 -16.326 1.00 45.52 C ATOM 519 CE1 HIS A 33 7.547 -17.630 -17.875 1.00 14.30 C ATOM 520 NE2 HIS A 33 6.587 -18.499 -17.609 1.00 15.32 N ATOM 0 H HIS A 33 5.831 -14.771 -15.862 1.00 51.23 H new ATOM 0 HA HIS A 33 4.720 -16.711 -14.010 1.00 2.11 H new ATOM 0 HB2 HIS A 33 7.611 -15.874 -14.399 1.00 30.43 H new ATOM 0 HB3 HIS A 33 7.018 -17.367 -13.698 1.00 30.43 H new ATOM 0 HD2 HIS A 33 5.366 -18.844 -15.821 1.00 45.52 H new ATOM 0 HE1 HIS A 33 8.087 -17.550 -18.807 1.00 14.30 H new ATOM 0 HE2 HIS A 33 6.233 -19.207 -18.252 1.00 15.32 H new ATOM 528 N ILE A 34 5.968 -13.845 -12.948 1.00 43.15 N ATOM 529 CA ILE A 34 6.089 -13.019 -11.754 1.00 40.22 C ATOM 530 C ILE A 34 4.719 -12.684 -11.176 1.00 4.32 C ATOM 531 O ILE A 34 4.542 -12.630 -9.960 1.00 51.44 O ATOM 532 CB ILE A 34 6.844 -11.710 -12.049 1.00 14.11 C ATOM 533 CG1 ILE A 34 8.145 -12.003 -12.798 1.00 42.40 C ATOM 534 CG2 ILE A 34 7.128 -10.960 -10.756 1.00 31.14 C ATOM 535 CD1 ILE A 34 8.923 -10.759 -13.168 1.00 43.50 C ATOM 0 H ILE A 34 6.195 -13.364 -13.818 1.00 43.15 H new ATOM 0 HA ILE A 34 6.656 -13.599 -11.025 1.00 40.22 H new ATOM 0 HB ILE A 34 6.217 -11.081 -12.681 1.00 14.11 H new ATOM 0 HG12 ILE A 34 8.774 -12.645 -12.180 1.00 42.40 H new ATOM 0 HG13 ILE A 34 7.914 -12.561 -13.706 1.00 42.40 H new ATOM 0 HG21 ILE A 34 7.662 -10.037 -10.981 1.00 31.14 H new ATOM 0 HG22 ILE A 34 6.187 -10.723 -10.259 1.00 31.14 H new ATOM 0 HG23 ILE A 34 7.738 -11.582 -10.101 1.00 31.14 H new ATOM 0 HD11 ILE A 34 9.833 -11.043 -13.696 1.00 43.50 H new ATOM 0 HD12 ILE A 34 8.312 -10.126 -13.812 1.00 43.50 H new ATOM 0 HD13 ILE A 34 9.185 -10.211 -12.263 1.00 43.50 H new ATOM 547 N VAL A 35 3.749 -12.463 -12.058 1.00 32.03 N ATOM 548 CA VAL A 35 2.392 -12.135 -11.637 1.00 51.02 C ATOM 549 C VAL A 35 1.687 -13.357 -11.058 1.00 20.23 C ATOM 550 O VAL A 35 0.937 -13.252 -10.088 1.00 20.05 O ATOM 551 CB VAL A 35 1.558 -11.581 -12.807 1.00 63.45 C ATOM 552 CG1 VAL A 35 0.141 -11.270 -12.354 1.00 32.33 C ATOM 553 CG2 VAL A 35 2.223 -10.346 -13.396 1.00 14.51 C ATOM 0 H VAL A 35 3.878 -12.505 -13.069 1.00 32.03 H new ATOM 0 HA VAL A 35 2.476 -11.368 -10.867 1.00 51.02 H new ATOM 0 HB VAL A 35 1.504 -12.343 -13.585 1.00 63.45 H new ATOM 0 HG11 VAL A 35 -0.432 -10.880 -13.195 1.00 32.33 H new ATOM 0 HG12 VAL A 35 -0.331 -12.180 -11.984 1.00 32.33 H new ATOM 0 HG13 VAL A 35 0.169 -10.527 -11.557 1.00 32.33 H new ATOM 0 HG21 VAL A 35 1.621 -9.967 -14.222 1.00 14.51 H new ATOM 0 HG22 VAL A 35 2.309 -9.578 -12.628 1.00 14.51 H new ATOM 0 HG23 VAL A 35 3.216 -10.607 -13.761 1.00 14.51 H new ATOM 563 N TRP A 36 1.932 -14.515 -11.662 1.00 51.14 N ATOM 564 CA TRP A 36 1.320 -15.758 -11.206 1.00 60.35 C ATOM 565 C TRP A 36 1.742 -16.081 -9.777 1.00 53.14 C ATOM 566 O TRP A 36 0.901 -16.286 -8.903 1.00 52.23 O ATOM 567 CB TRP A 36 1.704 -16.910 -12.136 1.00 21.41 C ATOM 568 CG TRP A 36 1.212 -18.244 -11.663 1.00 5.50 C ATOM 569 CD1 TRP A 36 -0.038 -18.767 -11.841 1.00 53.33 C ATOM 570 CD2 TRP A 36 1.959 -19.224 -10.934 1.00 54.30 C ATOM 571 NE1 TRP A 36 -0.112 -20.012 -11.265 1.00 25.01 N ATOM 572 CE2 TRP A 36 1.100 -20.316 -10.703 1.00 2.42 C ATOM 573 CE3 TRP A 36 3.270 -19.287 -10.455 1.00 32.03 C ATOM 574 CZ2 TRP A 36 1.511 -21.454 -10.014 1.00 13.33 C ATOM 575 CZ3 TRP A 36 3.676 -20.416 -9.772 1.00 41.44 C ATOM 576 CH2 TRP A 36 2.800 -21.487 -9.557 1.00 41.13 C ATOM 0 H TRP A 36 2.549 -14.619 -12.467 1.00 51.14 H new ATOM 0 HA TRP A 36 0.238 -15.629 -11.225 1.00 60.35 H new ATOM 0 HB2 TRP A 36 1.302 -16.714 -13.130 1.00 21.41 H new ATOM 0 HB3 TRP A 36 2.789 -16.944 -12.232 1.00 21.41 H new ATOM 0 HD1 TRP A 36 -0.848 -18.274 -12.358 1.00 53.33 H new ATOM 0 HE1 TRP A 36 -0.936 -20.613 -11.257 1.00 25.01 H new ATOM 0 HE3 TRP A 36 3.954 -18.467 -10.616 1.00 32.03 H new ATOM 0 HZ2 TRP A 36 0.837 -22.281 -9.846 1.00 13.33 H new ATOM 0 HZ3 TRP A 36 4.687 -20.474 -9.397 1.00 41.44 H new ATOM 0 HH2 TRP A 36 3.149 -22.356 -9.020 1.00 41.13 H new ATOM 587 N ALA A 37 3.050 -16.123 -9.545 1.00 70.30 N ATOM 588 CA ALA A 37 3.584 -16.418 -8.221 1.00 5.34 C ATOM 589 C ALA A 37 2.958 -15.515 -7.164 1.00 32.53 C ATOM 590 O ALA A 37 2.576 -15.975 -6.087 1.00 24.33 O ATOM 591 CB ALA A 37 5.097 -16.270 -8.217 1.00 53.22 C ATOM 0 H ALA A 37 3.760 -15.956 -10.258 1.00 70.30 H new ATOM 0 HA ALA A 37 3.331 -17.450 -7.975 1.00 5.34 H new ATOM 0 HB1 ALA A 37 5.482 -16.493 -7.222 1.00 53.22 H new ATOM 0 HB2 ALA A 37 5.532 -16.962 -8.938 1.00 53.22 H new ATOM 0 HB3 ALA A 37 5.363 -15.248 -8.488 1.00 53.22 H new ATOM 597 N SER A 38 2.857 -14.227 -7.477 1.00 61.34 N ATOM 598 CA SER A 38 2.282 -13.258 -6.551 1.00 60.01 C ATOM 599 C SER A 38 0.914 -13.721 -6.061 1.00 5.22 C ATOM 600 O SER A 38 0.579 -13.568 -4.886 1.00 41.11 O ATOM 601 CB SER A 38 2.159 -11.889 -7.223 1.00 22.13 C ATOM 602 OG SER A 38 3.382 -11.177 -7.158 1.00 33.51 O ATOM 0 H SER A 38 3.166 -13.830 -8.365 1.00 61.34 H new ATOM 0 HA SER A 38 2.948 -13.174 -5.692 1.00 60.01 H new ATOM 0 HB2 SER A 38 1.864 -12.017 -8.265 1.00 22.13 H new ATOM 0 HB3 SER A 38 1.372 -11.312 -6.738 1.00 22.13 H new ATOM 0 HG SER A 38 3.277 -10.306 -7.596 1.00 33.51 H new ATOM 608 N ARG A 39 0.127 -14.287 -6.971 1.00 75.13 N ATOM 609 CA ARG A 39 -1.205 -14.771 -6.632 1.00 44.52 C ATOM 610 C ARG A 39 -1.126 -15.976 -5.699 1.00 55.13 C ATOM 611 O ARG A 39 -1.703 -15.971 -4.612 1.00 33.14 O ATOM 612 CB ARG A 39 -1.973 -15.147 -7.901 1.00 71.21 C ATOM 613 CG ARG A 39 -2.978 -14.094 -8.340 1.00 54.24 C ATOM 614 CD ARG A 39 -2.288 -12.894 -8.968 1.00 23.13 C ATOM 615 NE ARG A 39 -2.528 -11.666 -8.213 1.00 5.40 N ATOM 616 CZ ARG A 39 -3.638 -10.944 -8.321 1.00 32.41 C ATOM 617 NH1 ARG A 39 -4.603 -11.322 -9.147 1.00 73.44 N1+ ATOM 618 NH2 ARG A 39 -3.783 -9.838 -7.601 1.00 52.35 N ATOM 0 H ARG A 39 0.389 -14.421 -7.948 1.00 75.13 H new ATOM 0 HA ARG A 39 -1.734 -13.969 -6.118 1.00 44.52 H new ATOM 0 HB2 ARG A 39 -1.261 -15.317 -8.709 1.00 71.21 H new ATOM 0 HB3 ARG A 39 -2.496 -16.089 -7.733 1.00 71.21 H new ATOM 0 HG2 ARG A 39 -3.675 -14.530 -9.056 1.00 54.24 H new ATOM 0 HG3 ARG A 39 -3.565 -13.769 -7.481 1.00 54.24 H new ATOM 0 HD2 ARG A 39 -1.216 -13.081 -9.024 1.00 23.13 H new ATOM 0 HD3 ARG A 39 -2.643 -12.766 -9.991 1.00 23.13 H new ATOM 0 HE ARG A 39 -1.805 -11.346 -7.569 1.00 5.40 H new ATOM 0 HH11 ARG A 39 -4.495 -12.170 -9.703 1.00 73.44 H new ATOM 0 HH12 ARG A 39 -5.454 -10.765 -9.227 1.00 73.44 H new ATOM 0 HH21 ARG A 39 -3.042 -9.543 -6.965 1.00 52.35 H new ATOM 0 HH22 ARG A 39 -4.635 -9.284 -7.684 1.00 52.35 H new ATOM 632 N GLU A 40 -0.405 -17.007 -6.131 1.00 4.12 N ATOM 633 CA GLU A 40 -0.252 -18.219 -5.334 1.00 34.25 C ATOM 634 C GLU A 40 0.355 -17.899 -3.971 1.00 74.14 C ATOM 635 O GLU A 40 0.142 -18.624 -2.998 1.00 53.21 O ATOM 636 CB GLU A 40 0.626 -19.232 -6.070 1.00 24.14 C ATOM 637 CG GLU A 40 0.191 -20.674 -5.869 1.00 51.25 C ATOM 638 CD GLU A 40 -1.115 -20.994 -6.569 1.00 2.13 C ATOM 639 OE1 GLU A 40 -1.182 -20.822 -7.805 1.00 42.12 O ATOM 640 OE2 GLU A 40 -2.070 -21.415 -5.884 1.00 34.40 O1- ATOM 0 H GLU A 40 0.082 -17.027 -7.027 1.00 4.12 H new ATOM 0 HA GLU A 40 -1.241 -18.651 -5.181 1.00 34.25 H new ATOM 0 HB2 GLU A 40 0.615 -19.003 -7.136 1.00 24.14 H new ATOM 0 HB3 GLU A 40 1.656 -19.121 -5.731 1.00 24.14 H new ATOM 0 HG2 GLU A 40 0.970 -21.339 -6.241 1.00 51.25 H new ATOM 0 HG3 GLU A 40 0.085 -20.872 -4.802 1.00 51.25 H new ATOM 647 N LEU A 41 1.114 -16.811 -3.908 1.00 31.14 N ATOM 648 CA LEU A 41 1.754 -16.394 -2.665 1.00 45.15 C ATOM 649 C LEU A 41 0.716 -15.944 -1.642 1.00 3.21 C ATOM 650 O LEU A 41 0.608 -16.521 -0.560 1.00 2.34 O ATOM 651 CB LEU A 41 2.747 -15.261 -2.934 1.00 45.04 C ATOM 652 CG LEU A 41 4.180 -15.687 -3.256 1.00 55.12 C ATOM 653 CD1 LEU A 41 5.040 -14.472 -3.570 1.00 4.40 C ATOM 654 CD2 LEU A 41 4.773 -16.478 -2.099 1.00 52.14 C ATOM 0 H LEU A 41 1.302 -16.201 -4.704 1.00 31.14 H new ATOM 0 HA LEU A 41 2.291 -17.250 -2.257 1.00 45.15 H new ATOM 0 HB2 LEU A 41 2.371 -14.665 -3.765 1.00 45.04 H new ATOM 0 HB3 LEU A 41 2.770 -14.610 -2.060 1.00 45.04 H new ATOM 0 HG LEU A 41 4.159 -16.329 -4.137 1.00 55.12 H new ATOM 0 HD11 LEU A 41 6.056 -14.794 -3.797 1.00 4.40 H new ATOM 0 HD12 LEU A 41 4.626 -13.946 -4.430 1.00 4.40 H new ATOM 0 HD13 LEU A 41 5.055 -13.804 -2.709 1.00 4.40 H new ATOM 0 HD21 LEU A 41 5.793 -16.773 -2.345 1.00 52.14 H new ATOM 0 HD22 LEU A 41 4.781 -15.859 -1.202 1.00 52.14 H new ATOM 0 HD23 LEU A 41 4.171 -17.369 -1.921 1.00 52.14 H new ATOM 666 N GLU A 42 -0.045 -14.913 -1.994 1.00 51.32 N ATOM 667 CA GLU A 42 -1.076 -14.387 -1.106 1.00 73.25 C ATOM 668 C GLU A 42 -2.014 -15.499 -0.644 1.00 33.14 C ATOM 669 O GLU A 42 -2.582 -15.433 0.447 1.00 74.53 O ATOM 670 CB GLU A 42 -1.875 -13.289 -1.811 1.00 10.32 C ATOM 671 CG GLU A 42 -1.752 -11.927 -1.150 1.00 33.42 C ATOM 672 CD GLU A 42 -2.078 -10.788 -2.096 1.00 13.55 C ATOM 673 OE1 GLU A 42 -2.267 -11.052 -3.302 1.00 43.24 O1- ATOM 674 OE2 GLU A 42 -2.145 -9.631 -1.630 1.00 1.44 O ATOM 0 H GLU A 42 0.032 -14.426 -2.887 1.00 51.32 H new ATOM 0 HA GLU A 42 -0.585 -13.963 -0.230 1.00 73.25 H new ATOM 0 HB2 GLU A 42 -1.538 -13.213 -2.845 1.00 10.32 H new ATOM 0 HB3 GLU A 42 -2.926 -13.577 -1.838 1.00 10.32 H new ATOM 0 HG2 GLU A 42 -2.421 -11.883 -0.290 1.00 33.42 H new ATOM 0 HG3 GLU A 42 -0.738 -11.801 -0.772 1.00 33.42 H new ATOM 681 N ARG A 43 -2.173 -16.518 -1.482 1.00 34.10 N ATOM 682 CA ARG A 43 -3.044 -17.642 -1.161 1.00 22.10 C ATOM 683 C ARG A 43 -2.541 -18.384 0.073 1.00 61.12 C ATOM 684 O ARG A 43 -3.328 -18.924 0.851 1.00 15.15 O ATOM 685 CB ARG A 43 -3.129 -18.604 -2.348 1.00 33.02 C ATOM 686 CG ARG A 43 -4.301 -19.568 -2.268 1.00 71.21 C ATOM 687 CD ARG A 43 -5.051 -19.644 -3.587 1.00 22.24 C ATOM 688 NE ARG A 43 -6.049 -18.584 -3.712 1.00 15.53 N ATOM 689 CZ ARG A 43 -7.195 -18.572 -3.040 1.00 22.21 C ATOM 690 NH1 ARG A 43 -7.487 -19.557 -2.201 1.00 22.44 N1+ ATOM 691 NH2 ARG A 43 -8.052 -17.573 -3.206 1.00 33.21 N ATOM 0 H ARG A 43 -1.710 -16.588 -2.388 1.00 34.10 H new ATOM 0 HA ARG A 43 -4.038 -17.250 -0.948 1.00 22.10 H new ATOM 0 HB2 ARG A 43 -3.207 -18.026 -3.269 1.00 33.02 H new ATOM 0 HB3 ARG A 43 -2.203 -19.176 -2.409 1.00 33.02 H new ATOM 0 HG2 ARG A 43 -3.940 -20.560 -1.996 1.00 71.21 H new ATOM 0 HG3 ARG A 43 -4.982 -19.250 -1.479 1.00 71.21 H new ATOM 0 HD2 ARG A 43 -4.342 -19.573 -4.412 1.00 22.24 H new ATOM 0 HD3 ARG A 43 -5.541 -20.614 -3.670 1.00 22.24 H new ATOM 0 HE ARG A 43 -5.855 -17.812 -4.350 1.00 15.53 H new ATOM 0 HH11 ARG A 43 -6.831 -20.327 -2.070 1.00 22.44 H new ATOM 0 HH12 ARG A 43 -8.368 -19.545 -1.687 1.00 22.44 H new ATOM 0 HH21 ARG A 43 -7.831 -16.813 -3.850 1.00 33.21 H new ATOM 0 HH22 ARG A 43 -8.932 -17.565 -2.690 1.00 33.21 H new ATOM 705 N PHE A 44 -1.223 -18.409 0.247 1.00 33.13 N ATOM 706 CA PHE A 44 -0.615 -19.085 1.386 1.00 72.54 C ATOM 707 C PHE A 44 -0.328 -18.100 2.516 1.00 24.45 C ATOM 708 O PHE A 44 0.590 -18.301 3.310 1.00 13.23 O ATOM 709 CB PHE A 44 0.681 -19.780 0.960 1.00 61.21 C ATOM 710 CG PHE A 44 0.481 -20.819 -0.106 1.00 43.44 C ATOM 711 CD1 PHE A 44 -0.439 -21.841 0.067 1.00 32.32 C ATOM 712 CD2 PHE A 44 1.214 -20.774 -1.281 1.00 43.02 C ATOM 713 CE1 PHE A 44 -0.626 -22.798 -0.912 1.00 32.43 C ATOM 714 CE2 PHE A 44 1.031 -21.729 -2.264 1.00 61.24 C ATOM 715 CZ PHE A 44 0.111 -22.742 -2.079 1.00 24.20 C ATOM 0 H PHE A 44 -0.556 -17.969 -0.387 1.00 33.13 H new ATOM 0 HA PHE A 44 -1.319 -19.833 1.750 1.00 72.54 H new ATOM 0 HB2 PHE A 44 1.384 -19.030 0.598 1.00 61.21 H new ATOM 0 HB3 PHE A 44 1.136 -20.249 1.832 1.00 61.21 H new ATOM 0 HD1 PHE A 44 -1.017 -21.890 0.978 1.00 32.32 H new ATOM 0 HD2 PHE A 44 1.936 -19.985 -1.431 1.00 43.02 H new ATOM 0 HE1 PHE A 44 -1.347 -23.588 -0.765 1.00 32.43 H new ATOM 0 HE2 PHE A 44 1.607 -21.683 -3.176 1.00 61.24 H new ATOM 0 HZ PHE A 44 -0.032 -23.489 -2.845 1.00 24.20 H new ATOM 725 N ALA A 45 -1.121 -17.035 2.578 1.00 31.35 N ATOM 726 CA ALA A 45 -0.954 -16.019 3.609 1.00 14.20 C ATOM 727 C ALA A 45 0.391 -15.314 3.474 1.00 54.11 C ATOM 728 O ALA A 45 0.921 -14.775 4.445 1.00 61.22 O ATOM 729 CB ALA A 45 -1.089 -16.642 4.990 1.00 41.54 C ATOM 0 H ALA A 45 -1.885 -16.854 1.927 1.00 31.35 H new ATOM 0 HA ALA A 45 -1.739 -15.274 3.480 1.00 14.20 H new ATOM 0 HB1 ALA A 45 -0.962 -15.872 5.751 1.00 41.54 H new ATOM 0 HB2 ALA A 45 -2.076 -17.092 5.091 1.00 41.54 H new ATOM 0 HB3 ALA A 45 -0.325 -17.409 5.119 1.00 41.54 H new ATOM 735 N VAL A 46 0.939 -15.321 2.263 1.00 3.51 N ATOM 736 CA VAL A 46 2.223 -14.683 2.000 1.00 54.41 C ATOM 737 C VAL A 46 2.078 -13.556 0.983 1.00 12.34 C ATOM 738 O VAL A 46 1.747 -13.793 -0.178 1.00 52.22 O ATOM 739 CB VAL A 46 3.259 -15.697 1.482 1.00 22.20 C ATOM 740 CG1 VAL A 46 4.579 -15.005 1.178 1.00 11.41 C ATOM 741 CG2 VAL A 46 3.455 -16.820 2.489 1.00 73.02 C ATOM 0 H VAL A 46 0.513 -15.762 1.448 1.00 3.51 H new ATOM 0 HA VAL A 46 2.572 -14.272 2.947 1.00 54.41 H new ATOM 0 HB VAL A 46 2.884 -16.132 0.556 1.00 22.20 H new ATOM 0 HG11 VAL A 46 5.299 -15.738 0.813 1.00 11.41 H new ATOM 0 HG12 VAL A 46 4.422 -14.240 0.417 1.00 11.41 H new ATOM 0 HG13 VAL A 46 4.964 -14.540 2.086 1.00 11.41 H new ATOM 0 HG21 VAL A 46 4.191 -17.528 2.106 1.00 73.02 H new ATOM 0 HG22 VAL A 46 3.808 -16.405 3.433 1.00 73.02 H new ATOM 0 HG23 VAL A 46 2.507 -17.334 2.650 1.00 73.02 H new ATOM 751 N ASN A 47 2.329 -12.329 1.428 1.00 53.01 N ATOM 752 CA ASN A 47 2.227 -11.164 0.557 1.00 12.23 C ATOM 753 C ASN A 47 3.188 -11.281 -0.622 1.00 33.53 C ATOM 754 O ASN A 47 4.302 -11.788 -0.498 1.00 71.13 O ATOM 755 CB ASN A 47 2.520 -9.885 1.344 1.00 4.54 C ATOM 756 CG ASN A 47 1.284 -9.025 1.529 1.00 10.51 C ATOM 757 OD1 ASN A 47 1.284 -7.840 1.198 1.00 23.41 O ATOM 758 ND2 ASN A 47 0.224 -9.620 2.064 1.00 40.01 N ATOM 0 H ASN A 47 2.604 -12.116 2.387 1.00 53.01 H new ATOM 0 HA ASN A 47 1.209 -11.119 0.170 1.00 12.23 H new ATOM 0 HB2 ASN A 47 2.926 -10.148 2.321 1.00 4.54 H new ATOM 0 HB3 ASN A 47 3.286 -9.309 0.824 1.00 4.54 H new ATOM 0 HD21 ASN A 47 -0.635 -9.092 2.215 1.00 40.01 H new ATOM 0 HD22 ASN A 47 0.269 -10.605 2.324 1.00 40.01 H new ATOM 765 N PRO A 48 2.748 -10.798 -1.795 1.00 54.25 N ATOM 766 CA PRO A 48 3.554 -10.836 -3.018 1.00 11.12 C ATOM 767 C PRO A 48 4.742 -9.881 -2.959 1.00 0.13 C ATOM 768 O PRO A 48 5.680 -9.993 -3.747 1.00 12.11 O ATOM 769 CB PRO A 48 2.569 -10.398 -4.105 1.00 54.15 C ATOM 770 CG PRO A 48 1.553 -9.578 -3.388 1.00 74.15 C ATOM 771 CD PRO A 48 1.430 -10.179 -2.014 1.00 62.02 C ATOM 0 HA PRO A 48 3.989 -11.821 -3.189 1.00 11.12 H new ATOM 0 HB2 PRO A 48 3.068 -9.819 -4.882 1.00 54.15 H new ATOM 0 HB3 PRO A 48 2.111 -11.258 -4.594 1.00 54.15 H new ATOM 0 HG2 PRO A 48 1.863 -8.535 -3.331 1.00 74.15 H new ATOM 0 HG3 PRO A 48 0.596 -9.598 -3.910 1.00 74.15 H new ATOM 0 HD2 PRO A 48 1.212 -9.421 -1.262 1.00 62.02 H new ATOM 0 HD3 PRO A 48 0.627 -10.915 -1.967 1.00 62.02 H new ATOM 779 N GLY A 49 4.695 -8.941 -2.019 1.00 2.13 N ATOM 780 CA GLY A 49 5.772 -7.981 -1.876 1.00 54.11 C ATOM 781 C GLY A 49 7.086 -8.636 -1.496 1.00 14.31 C ATOM 782 O GLY A 49 8.159 -8.113 -1.798 1.00 62.30 O ATOM 0 H GLY A 49 3.930 -8.828 -1.354 1.00 2.13 H new ATOM 0 HA2 GLY A 49 5.898 -7.438 -2.813 1.00 54.11 H new ATOM 0 HA3 GLY A 49 5.502 -7.247 -1.116 1.00 54.11 H new ATOM 786 N LEU A 50 7.002 -9.783 -0.830 1.00 22.52 N ATOM 787 CA LEU A 50 8.194 -10.510 -0.407 1.00 24.03 C ATOM 788 C LEU A 50 9.091 -10.826 -1.599 1.00 72.01 C ATOM 789 O LEU A 50 10.304 -10.983 -1.452 1.00 72.13 O ATOM 790 CB LEU A 50 7.798 -11.805 0.305 1.00 5.20 C ATOM 791 CG LEU A 50 7.040 -11.642 1.623 1.00 42.22 C ATOM 792 CD1 LEU A 50 6.813 -12.995 2.279 1.00 51.13 C ATOM 793 CD2 LEU A 50 7.796 -10.712 2.561 1.00 14.44 C ATOM 0 H LEU A 50 6.122 -10.229 -0.572 1.00 22.52 H new ATOM 0 HA LEU A 50 8.750 -9.877 0.284 1.00 24.03 H new ATOM 0 HB2 LEU A 50 7.183 -12.396 -0.374 1.00 5.20 H new ATOM 0 HB3 LEU A 50 8.703 -12.381 0.498 1.00 5.20 H new ATOM 0 HG LEU A 50 6.068 -11.198 1.409 1.00 42.22 H new ATOM 0 HD11 LEU A 50 6.272 -12.859 3.216 1.00 51.13 H new ATOM 0 HD12 LEU A 50 6.229 -13.629 1.612 1.00 51.13 H new ATOM 0 HD13 LEU A 50 7.774 -13.468 2.480 1.00 51.13 H new ATOM 0 HD21 LEU A 50 7.242 -10.607 3.494 1.00 14.44 H new ATOM 0 HD22 LEU A 50 8.782 -11.128 2.769 1.00 14.44 H new ATOM 0 HD23 LEU A 50 7.906 -9.734 2.093 1.00 14.44 H new ATOM 805 N LEU A 51 8.489 -10.915 -2.780 1.00 11.32 N ATOM 806 CA LEU A 51 9.234 -11.210 -3.999 1.00 74.10 C ATOM 807 C LEU A 51 10.042 -9.997 -4.449 1.00 72.21 C ATOM 808 O LEU A 51 11.071 -10.136 -5.110 1.00 51.03 O ATOM 809 CB LEU A 51 8.279 -11.642 -5.113 1.00 14.53 C ATOM 810 CG LEU A 51 7.716 -13.059 -5.001 1.00 44.53 C ATOM 811 CD1 LEU A 51 6.660 -13.300 -6.068 1.00 64.33 C ATOM 812 CD2 LEU A 51 8.834 -14.087 -5.113 1.00 22.14 C ATOM 0 H LEU A 51 7.487 -10.787 -2.919 1.00 11.32 H new ATOM 0 HA LEU A 51 9.925 -12.026 -3.785 1.00 74.10 H new ATOM 0 HB2 LEU A 51 7.444 -10.942 -5.141 1.00 14.53 H new ATOM 0 HB3 LEU A 51 8.801 -11.554 -6.066 1.00 14.53 H new ATOM 0 HG LEU A 51 7.246 -13.166 -4.023 1.00 44.53 H new ATOM 0 HD11 LEU A 51 6.271 -14.314 -5.972 1.00 64.33 H new ATOM 0 HD12 LEU A 51 5.846 -12.586 -5.943 1.00 64.33 H new ATOM 0 HD13 LEU A 51 7.105 -13.174 -7.055 1.00 64.33 H new ATOM 0 HD21 LEU A 51 8.415 -15.090 -5.031 1.00 22.14 H new ATOM 0 HD22 LEU A 51 9.332 -13.979 -6.076 1.00 22.14 H new ATOM 0 HD23 LEU A 51 9.556 -13.928 -4.312 1.00 22.14 H new ATOM 824 N GLU A 52 9.570 -8.809 -4.085 1.00 1.22 N ATOM 825 CA GLU A 52 10.250 -7.572 -4.451 1.00 44.12 C ATOM 826 C GLU A 52 11.469 -7.339 -3.564 1.00 34.42 C ATOM 827 O GLU A 52 12.238 -6.401 -3.778 1.00 21.41 O ATOM 828 CB GLU A 52 9.291 -6.384 -4.342 1.00 3.21 C ATOM 829 CG GLU A 52 9.850 -5.095 -4.919 1.00 43.03 C ATOM 830 CD GLU A 52 8.772 -4.071 -5.212 1.00 31.45 C ATOM 831 OE1 GLU A 52 7.579 -4.399 -5.044 1.00 0.41 O1- ATOM 832 OE2 GLU A 52 9.121 -2.940 -5.609 1.00 31.45 O ATOM 0 H GLU A 52 8.720 -8.677 -3.537 1.00 1.22 H new ATOM 0 HA GLU A 52 10.586 -7.664 -5.484 1.00 44.12 H new ATOM 0 HB2 GLU A 52 8.362 -6.630 -4.857 1.00 3.21 H new ATOM 0 HB3 GLU A 52 9.042 -6.224 -3.293 1.00 3.21 H new ATOM 0 HG2 GLU A 52 10.569 -4.670 -4.219 1.00 43.03 H new ATOM 0 HG3 GLU A 52 10.393 -5.318 -5.837 1.00 43.03 H new ATOM 839 N THR A 53 11.639 -8.198 -2.563 1.00 31.43 N ATOM 840 CA THR A 53 12.763 -8.085 -1.642 1.00 1.50 C ATOM 841 C THR A 53 13.526 -9.401 -1.542 1.00 40.41 C ATOM 842 O THR A 53 12.933 -10.459 -1.328 1.00 15.33 O ATOM 843 CB THR A 53 12.295 -7.669 -0.235 1.00 34.23 C ATOM 844 OG1 THR A 53 11.638 -8.766 0.409 1.00 71.13 O ATOM 845 CG2 THR A 53 11.350 -6.478 -0.310 1.00 54.21 C ATOM 0 H THR A 53 11.012 -8.979 -2.370 1.00 31.43 H new ATOM 0 HA THR A 53 13.423 -7.315 -2.041 1.00 1.50 H new ATOM 0 HB THR A 53 13.172 -7.382 0.345 1.00 34.23 H new ATOM 0 HG1 THR A 53 11.412 -9.449 -0.257 1.00 71.13 H new ATOM 0 HG21 THR A 53 11.032 -6.202 0.695 1.00 54.21 H new ATOM 0 HG22 THR A 53 11.863 -5.635 -0.773 1.00 54.21 H new ATOM 0 HG23 THR A 53 10.477 -6.743 -0.906 1.00 54.21 H new ATOM 853 N SER A 54 14.843 -9.329 -1.699 1.00 50.12 N ATOM 854 CA SER A 54 15.688 -10.516 -1.629 1.00 42.25 C ATOM 855 C SER A 54 15.472 -11.260 -0.315 1.00 13.12 C ATOM 856 O SER A 54 15.673 -12.471 -0.235 1.00 61.51 O ATOM 857 CB SER A 54 17.160 -10.130 -1.773 1.00 75.41 C ATOM 858 OG SER A 54 17.896 -11.152 -2.421 1.00 25.20 O ATOM 0 H SER A 54 15.349 -8.461 -1.876 1.00 50.12 H new ATOM 0 HA SER A 54 15.411 -11.177 -2.451 1.00 42.25 H new ATOM 0 HB2 SER A 54 17.242 -9.203 -2.341 1.00 75.41 H new ATOM 0 HB3 SER A 54 17.587 -9.939 -0.788 1.00 75.41 H new ATOM 0 HG SER A 54 18.834 -10.879 -2.502 1.00 25.20 H new ATOM 864 N GLU A 55 15.059 -10.525 0.714 1.00 62.45 N ATOM 865 CA GLU A 55 14.817 -11.115 2.025 1.00 61.33 C ATOM 866 C GLU A 55 13.506 -11.896 2.036 1.00 65.24 C ATOM 867 O GLU A 55 13.450 -13.030 2.512 1.00 12.03 O ATOM 868 CB GLU A 55 14.783 -10.027 3.100 1.00 30.15 C ATOM 869 CG GLU A 55 16.152 -9.455 3.430 1.00 1.01 C ATOM 870 CD GLU A 55 16.368 -9.282 4.921 1.00 12.52 C ATOM 871 OE1 GLU A 55 15.495 -8.680 5.580 1.00 0.43 O ATOM 872 OE2 GLU A 55 17.409 -9.747 5.428 1.00 43.03 O1- ATOM 0 H GLU A 55 14.885 -9.521 0.664 1.00 62.45 H new ATOM 0 HA GLU A 55 15.633 -11.804 2.241 1.00 61.33 H new ATOM 0 HB2 GLU A 55 14.132 -9.219 2.767 1.00 30.15 H new ATOM 0 HB3 GLU A 55 14.342 -10.439 4.008 1.00 30.15 H new ATOM 0 HG2 GLU A 55 16.923 -10.113 3.029 1.00 1.01 H new ATOM 0 HG3 GLU A 55 16.267 -8.490 2.936 1.00 1.01 H new ATOM 879 N GLY A 56 12.452 -11.281 1.507 1.00 70.34 N ATOM 880 CA GLY A 56 11.156 -11.933 1.466 1.00 73.43 C ATOM 881 C GLY A 56 11.193 -13.249 0.716 1.00 60.34 C ATOM 882 O GLY A 56 10.507 -14.202 1.087 1.00 1.12 O ATOM 0 H GLY A 56 12.473 -10.343 1.106 1.00 70.34 H new ATOM 0 HA2 GLY A 56 10.808 -12.108 2.484 1.00 73.43 H new ATOM 0 HA3 GLY A 56 10.433 -11.269 0.992 1.00 73.43 H new ATOM 886 N CYS A 57 11.993 -13.302 -0.343 1.00 43.21 N ATOM 887 CA CYS A 57 12.115 -14.512 -1.150 1.00 12.34 C ATOM 888 C CYS A 57 12.645 -15.672 -0.314 1.00 64.32 C ATOM 889 O CYS A 57 12.122 -16.785 -0.376 1.00 64.44 O ATOM 890 CB CYS A 57 13.037 -14.263 -2.344 1.00 40.22 C ATOM 891 SG CYS A 57 12.172 -13.783 -3.858 1.00 75.22 S ATOM 0 H CYS A 57 12.567 -12.522 -0.663 1.00 43.21 H new ATOM 0 HA CYS A 57 11.123 -14.777 -1.516 1.00 12.34 H new ATOM 0 HB2 CYS A 57 13.750 -13.481 -2.082 1.00 40.22 H new ATOM 0 HB3 CYS A 57 13.613 -15.167 -2.539 1.00 40.22 H new ATOM 0 HG CYS A 57 13.037 -13.593 -4.810 1.00 75.22 H new ATOM 897 N ARG A 58 13.687 -15.404 0.466 1.00 31.22 N ATOM 898 CA ARG A 58 14.291 -16.426 1.312 1.00 43.23 C ATOM 899 C ARG A 58 13.235 -17.110 2.176 1.00 42.13 C ATOM 900 O ARG A 58 13.212 -18.335 2.291 1.00 74.13 O ATOM 901 CB ARG A 58 15.372 -15.809 2.202 1.00 11.21 C ATOM 902 CG ARG A 58 16.329 -16.830 2.793 1.00 74.12 C ATOM 903 CD ARG A 58 17.683 -16.789 2.102 1.00 41.15 C ATOM 904 NE ARG A 58 18.709 -17.496 2.865 1.00 43.11 N ATOM 905 CZ ARG A 58 19.330 -16.979 3.919 1.00 15.03 C ATOM 906 NH1 ARG A 58 19.029 -15.754 4.333 1.00 62.13 N1+ ATOM 907 NH2 ARG A 58 20.251 -17.685 4.561 1.00 35.45 N ATOM 0 H ARG A 58 14.130 -14.488 0.530 1.00 31.22 H new ATOM 0 HA ARG A 58 14.747 -17.175 0.665 1.00 43.23 H new ATOM 0 HB2 ARG A 58 15.941 -15.085 1.619 1.00 11.21 H new ATOM 0 HB3 ARG A 58 14.893 -15.260 3.013 1.00 11.21 H new ATOM 0 HG2 ARG A 58 16.457 -16.637 3.858 1.00 74.12 H new ATOM 0 HG3 ARG A 58 15.901 -17.828 2.699 1.00 74.12 H new ATOM 0 HD2 ARG A 58 17.598 -17.234 1.111 1.00 41.15 H new ATOM 0 HD3 ARG A 58 17.987 -15.752 1.961 1.00 41.15 H new ATOM 0 HE ARG A 58 18.963 -18.439 2.572 1.00 43.11 H new ATOM 0 HH11 ARG A 58 18.320 -15.209 3.842 1.00 62.13 H new ATOM 0 HH12 ARG A 58 19.506 -15.358 5.143 1.00 62.13 H new ATOM 0 HH21 ARG A 58 20.483 -18.627 4.245 1.00 35.45 H new ATOM 0 HH22 ARG A 58 20.727 -17.286 5.370 1.00 35.45 H new ATOM 921 N GLN A 59 12.363 -16.310 2.781 1.00 53.30 N ATOM 922 CA GLN A 59 11.307 -16.838 3.635 1.00 0.11 C ATOM 923 C GLN A 59 10.365 -17.740 2.843 1.00 71.41 C ATOM 924 O GLN A 59 9.814 -18.701 3.378 1.00 52.13 O ATOM 925 CB GLN A 59 10.518 -15.694 4.274 1.00 11.43 C ATOM 926 CG GLN A 59 10.341 -15.841 5.776 1.00 1.44 C ATOM 927 CD GLN A 59 10.266 -14.505 6.489 1.00 62.54 C ATOM 928 OE1 GLN A 59 9.216 -14.118 7.000 1.00 5.42 O ATOM 929 NE2 GLN A 59 11.386 -13.792 6.528 1.00 42.02 N ATOM 0 H GLN A 59 12.367 -15.294 2.695 1.00 53.30 H new ATOM 0 HA GLN A 59 11.774 -17.432 4.421 1.00 0.11 H new ATOM 0 HB2 GLN A 59 11.027 -14.753 4.067 1.00 11.43 H new ATOM 0 HB3 GLN A 59 9.536 -15.635 3.805 1.00 11.43 H new ATOM 0 HG2 GLN A 59 9.432 -16.407 5.977 1.00 1.44 H new ATOM 0 HG3 GLN A 59 11.172 -16.418 6.181 1.00 1.44 H new ATOM 0 HE21 GLN A 59 12.235 -14.151 6.091 1.00 42.02 H new ATOM 0 HE22 GLN A 59 11.397 -12.885 6.995 1.00 42.02 H new ATOM 938 N ILE A 60 10.187 -17.423 1.565 1.00 30.11 N ATOM 939 CA ILE A 60 9.313 -18.204 0.699 1.00 60.53 C ATOM 940 C ILE A 60 9.966 -19.526 0.308 1.00 60.24 C ATOM 941 O ILE A 60 9.317 -20.572 0.295 1.00 62.22 O ATOM 942 CB ILE A 60 8.947 -17.428 -0.580 1.00 24.12 C ATOM 943 CG1 ILE A 60 8.264 -16.107 -0.223 1.00 74.43 C ATOM 944 CG2 ILE A 60 8.048 -18.271 -1.472 1.00 1.44 C ATOM 945 CD1 ILE A 60 8.243 -15.111 -1.360 1.00 22.44 C ATOM 0 H ILE A 60 10.637 -16.631 1.106 1.00 30.11 H new ATOM 0 HA ILE A 60 8.404 -18.403 1.266 1.00 60.53 H new ATOM 0 HB ILE A 60 9.863 -17.206 -1.127 1.00 24.12 H new ATOM 0 HG12 ILE A 60 7.240 -16.310 0.090 1.00 74.43 H new ATOM 0 HG13 ILE A 60 8.776 -15.662 0.630 1.00 74.43 H new ATOM 0 HG21 ILE A 60 7.798 -17.709 -2.372 1.00 1.44 H new ATOM 0 HG22 ILE A 60 8.568 -19.188 -1.750 1.00 1.44 H new ATOM 0 HG23 ILE A 60 7.133 -18.521 -0.934 1.00 1.44 H new ATOM 0 HD11 ILE A 60 7.744 -14.198 -1.035 1.00 22.44 H new ATOM 0 HD12 ILE A 60 9.265 -14.879 -1.659 1.00 22.44 H new ATOM 0 HD13 ILE A 60 7.705 -15.537 -2.207 1.00 22.44 H new ATOM 957 N LEU A 61 11.256 -19.472 -0.008 1.00 14.24 N ATOM 958 CA LEU A 61 11.999 -20.665 -0.398 1.00 41.34 C ATOM 959 C LEU A 61 12.248 -21.568 0.806 1.00 73.20 C ATOM 960 O LEU A 61 12.285 -22.792 0.681 1.00 11.25 O ATOM 961 CB LEU A 61 13.331 -20.274 -1.041 1.00 54.03 C ATOM 962 CG LEU A 61 13.241 -19.554 -2.387 1.00 13.31 C ATOM 963 CD1 LEU A 61 14.446 -18.651 -2.591 1.00 73.33 C ATOM 964 CD2 LEU A 61 13.127 -20.561 -3.522 1.00 51.01 C ATOM 0 H LEU A 61 11.809 -18.615 -0.002 1.00 14.24 H new ATOM 0 HA LEU A 61 11.400 -21.215 -1.124 1.00 41.34 H new ATOM 0 HB2 LEU A 61 13.874 -19.634 -0.345 1.00 54.03 H new ATOM 0 HB3 LEU A 61 13.926 -21.177 -1.174 1.00 54.03 H new ATOM 0 HG LEU A 61 12.345 -18.933 -2.387 1.00 13.31 H new ATOM 0 HD11 LEU A 61 14.364 -18.147 -3.554 1.00 73.33 H new ATOM 0 HD12 LEU A 61 14.483 -17.908 -1.795 1.00 73.33 H new ATOM 0 HD13 LEU A 61 15.357 -19.250 -2.571 1.00 73.33 H new ATOM 0 HD21 LEU A 61 13.064 -20.032 -4.473 1.00 51.01 H new ATOM 0 HD22 LEU A 61 14.004 -21.208 -3.524 1.00 51.01 H new ATOM 0 HD23 LEU A 61 12.231 -21.166 -3.383 1.00 51.01 H new ATOM 976 N GLY A 62 12.418 -20.955 1.974 1.00 61.04 N ATOM 977 CA GLY A 62 12.660 -21.720 3.184 1.00 53.23 C ATOM 978 C GLY A 62 11.498 -22.626 3.540 1.00 35.15 C ATOM 979 O GLY A 62 11.696 -23.747 4.003 1.00 61.34 O ATOM 0 H GLY A 62 12.393 -19.944 2.104 1.00 61.04 H new ATOM 0 HA2 GLY A 62 13.560 -22.322 3.056 1.00 53.23 H new ATOM 0 HA3 GLY A 62 12.850 -21.036 4.011 1.00 53.23 H new ATOM 983 N GLN A 63 10.281 -22.135 3.324 1.00 55.33 N ATOM 984 CA GLN A 63 9.082 -22.908 3.629 1.00 72.21 C ATOM 985 C GLN A 63 8.787 -23.914 2.521 1.00 61.15 C ATOM 986 O GLN A 63 8.163 -24.949 2.757 1.00 10.45 O ATOM 987 CB GLN A 63 7.884 -21.976 3.819 1.00 0.31 C ATOM 988 CG GLN A 63 7.703 -21.503 5.253 1.00 35.54 C ATOM 989 CD GLN A 63 6.557 -20.522 5.403 1.00 44.54 C ATOM 990 OE1 GLN A 63 6.524 -19.482 4.745 1.00 64.02 O ATOM 991 NE2 GLN A 63 5.608 -20.850 6.273 1.00 72.50 N ATOM 0 H GLN A 63 10.100 -21.208 2.940 1.00 55.33 H new ATOM 0 HA GLN A 63 9.259 -23.455 4.555 1.00 72.21 H new ATOM 0 HB2 GLN A 63 8.003 -21.108 3.171 1.00 0.31 H new ATOM 0 HB3 GLN A 63 6.979 -22.491 3.498 1.00 0.31 H new ATOM 0 HG2 GLN A 63 7.525 -22.365 5.896 1.00 35.54 H new ATOM 0 HG3 GLN A 63 8.625 -21.034 5.596 1.00 35.54 H new ATOM 0 HE21 GLN A 63 5.676 -21.722 6.797 1.00 72.50 H new ATOM 0 HE22 GLN A 63 4.811 -20.229 6.417 1.00 72.50 H new ATOM 1000 N LEU A 64 9.242 -23.605 1.311 1.00 72.03 N ATOM 1001 CA LEU A 64 9.028 -24.483 0.166 1.00 14.33 C ATOM 1002 C LEU A 64 10.067 -25.597 0.132 1.00 60.13 C ATOM 1003 O LEU A 64 9.820 -26.672 -0.413 1.00 64.24 O ATOM 1004 CB LEU A 64 9.082 -23.679 -1.134 1.00 15.24 C ATOM 1005 CG LEU A 64 7.886 -22.765 -1.409 1.00 50.13 C ATOM 1006 CD1 LEU A 64 8.125 -21.935 -2.661 1.00 52.50 C ATOM 1007 CD2 LEU A 64 6.610 -23.583 -1.544 1.00 62.45 C ATOM 0 H LEU A 64 9.761 -22.753 1.098 1.00 72.03 H new ATOM 0 HA LEU A 64 8.041 -24.936 0.266 1.00 14.33 H new ATOM 0 HB2 LEU A 64 9.985 -23.069 -1.123 1.00 15.24 H new ATOM 0 HB3 LEU A 64 9.179 -24.377 -1.966 1.00 15.24 H new ATOM 0 HG LEU A 64 7.770 -22.085 -0.565 1.00 50.13 H new ATOM 0 HD11 LEU A 64 7.264 -21.291 -2.841 1.00 52.50 H new ATOM 0 HD12 LEU A 64 9.015 -21.321 -2.526 1.00 52.50 H new ATOM 0 HD13 LEU A 64 8.267 -22.597 -3.515 1.00 52.50 H new ATOM 0 HD21 LEU A 64 5.770 -22.917 -1.739 1.00 62.45 H new ATOM 0 HD22 LEU A 64 6.715 -24.287 -2.370 1.00 62.45 H new ATOM 0 HD23 LEU A 64 6.430 -24.132 -0.620 1.00 62.45 H new ATOM 1019 N GLN A 65 11.230 -25.333 0.719 1.00 61.34 N ATOM 1020 CA GLN A 65 12.308 -26.316 0.756 1.00 11.53 C ATOM 1021 C GLN A 65 11.807 -27.650 1.300 1.00 63.05 C ATOM 1022 O GLN A 65 11.837 -28.675 0.618 1.00 43.52 O ATOM 1023 CB GLN A 65 13.464 -25.803 1.615 1.00 54.03 C ATOM 1024 CG GLN A 65 14.703 -25.440 0.813 1.00 62.10 C ATOM 1025 CD GLN A 65 15.787 -26.495 0.905 1.00 73.35 C ATOM 1026 OE1 GLN A 65 16.336 -26.747 1.978 1.00 52.43 O ATOM 1027 NE2 GLN A 65 16.103 -27.119 -0.224 1.00 44.14 N ATOM 0 H GLN A 65 11.450 -24.448 1.175 1.00 61.34 H new ATOM 0 HA GLN A 65 12.663 -26.470 -0.263 1.00 11.53 H new ATOM 0 HB2 GLN A 65 13.131 -24.926 2.171 1.00 54.03 H new ATOM 0 HB3 GLN A 65 13.727 -26.565 2.349 1.00 54.03 H new ATOM 0 HG2 GLN A 65 14.426 -25.299 -0.232 1.00 62.10 H new ATOM 0 HG3 GLN A 65 15.096 -24.488 1.170 1.00 62.10 H new ATOM 0 HE21 GLN A 65 15.623 -26.879 -1.091 1.00 44.14 H new ATOM 0 HE22 GLN A 65 16.826 -27.838 -0.224 1.00 44.14 H new ATOM 1036 N PRO A 66 11.340 -27.640 2.557 1.00 4.35 N ATOM 1037 CA PRO A 66 10.824 -28.842 3.219 1.00 54.33 C ATOM 1038 C PRO A 66 9.500 -29.310 2.625 1.00 72.42 C ATOM 1039 O PRO A 66 9.082 -30.448 2.836 1.00 24.02 O ATOM 1040 CB PRO A 66 10.630 -28.393 4.669 1.00 54.11 C ATOM 1041 CG PRO A 66 10.436 -26.918 4.586 1.00 34.13 C ATOM 1042 CD PRO A 66 11.275 -26.455 3.427 1.00 11.00 C ATOM 0 HA PRO A 66 11.500 -29.690 3.107 1.00 54.33 H new ATOM 0 HB2 PRO A 66 9.767 -28.881 5.122 1.00 54.11 H new ATOM 0 HB3 PRO A 66 11.496 -28.645 5.281 1.00 54.11 H new ATOM 0 HG2 PRO A 66 9.386 -26.671 4.431 1.00 34.13 H new ATOM 0 HG3 PRO A 66 10.745 -26.431 5.511 1.00 34.13 H new ATOM 0 HD2 PRO A 66 10.821 -25.606 2.916 1.00 11.00 H new ATOM 0 HD3 PRO A 66 12.267 -26.139 3.750 1.00 11.00 H new ATOM 1050 N SER A 67 8.845 -28.424 1.881 1.00 14.42 N ATOM 1051 CA SER A 67 7.566 -28.745 1.258 1.00 54.24 C ATOM 1052 C SER A 67 7.773 -29.490 -0.057 1.00 52.44 C ATOM 1053 O SER A 67 6.915 -30.259 -0.490 1.00 20.11 O ATOM 1054 CB SER A 67 6.759 -27.469 1.014 1.00 21.20 C ATOM 1055 OG SER A 67 6.436 -26.827 2.235 1.00 44.33 O ATOM 0 H SER A 67 9.179 -27.478 1.695 1.00 14.42 H new ATOM 0 HA SER A 67 7.012 -29.392 1.938 1.00 54.24 H new ATOM 0 HB2 SER A 67 7.331 -26.789 0.382 1.00 21.20 H new ATOM 0 HB3 SER A 67 5.844 -27.712 0.474 1.00 21.20 H new ATOM 0 HG SER A 67 7.152 -26.203 2.476 1.00 44.33 H new ATOM 1061 N LEU A 68 8.920 -29.257 -0.687 1.00 12.31 N ATOM 1062 CA LEU A 68 9.242 -29.904 -1.953 1.00 70.23 C ATOM 1063 C LEU A 68 9.104 -31.420 -1.840 1.00 34.10 C ATOM 1064 O LEU A 68 8.803 -32.099 -2.821 1.00 54.21 O ATOM 1065 CB LEU A 68 10.663 -29.541 -2.388 1.00 13.50 C ATOM 1066 CG LEU A 68 10.833 -28.173 -3.049 1.00 62.41 C ATOM 1067 CD1 LEU A 68 12.272 -27.695 -2.923 1.00 24.45 C ATOM 1068 CD2 LEU A 68 10.414 -28.233 -4.511 1.00 35.22 C ATOM 0 H LEU A 68 9.642 -28.625 -0.341 1.00 12.31 H new ATOM 0 HA LEU A 68 8.537 -29.548 -2.704 1.00 70.23 H new ATOM 0 HB2 LEU A 68 11.311 -29.583 -1.513 1.00 13.50 H new ATOM 0 HB3 LEU A 68 11.015 -30.304 -3.082 1.00 13.50 H new ATOM 0 HG LEU A 68 10.189 -27.459 -2.536 1.00 62.41 H new ATOM 0 HD11 LEU A 68 12.374 -26.720 -3.399 1.00 24.45 H new ATOM 0 HD12 LEU A 68 12.537 -27.614 -1.869 1.00 24.45 H new ATOM 0 HD13 LEU A 68 12.936 -28.408 -3.411 1.00 24.45 H new ATOM 0 HD21 LEU A 68 10.541 -27.251 -4.967 1.00 35.22 H new ATOM 0 HD22 LEU A 68 11.033 -28.960 -5.037 1.00 35.22 H new ATOM 0 HD23 LEU A 68 9.368 -28.531 -4.578 1.00 35.22 H new ATOM 1080 N GLN A 69 9.326 -31.940 -0.637 1.00 65.33 N ATOM 1081 CA GLN A 69 9.226 -33.375 -0.397 1.00 3.24 C ATOM 1082 C GLN A 69 7.866 -33.908 -0.841 1.00 34.03 C ATOM 1083 O GLN A 69 7.776 -34.954 -1.482 1.00 65.14 O ATOM 1084 CB GLN A 69 9.448 -33.682 1.085 1.00 12.24 C ATOM 1085 CG GLN A 69 10.212 -34.972 1.331 1.00 43.23 C ATOM 1086 CD GLN A 69 11.658 -34.888 0.886 1.00 74.32 C ATOM 1087 OE1 GLN A 69 12.470 -34.196 1.502 1.00 72.41 O ATOM 1088 NE2 GLN A 69 11.990 -35.593 -0.190 1.00 55.11 N ATOM 0 H GLN A 69 9.576 -31.390 0.185 1.00 65.33 H new ATOM 0 HA GLN A 69 9.999 -33.871 -0.983 1.00 3.24 H new ATOM 0 HB2 GLN A 69 9.992 -32.855 1.541 1.00 12.24 H new ATOM 0 HB3 GLN A 69 8.481 -33.742 1.584 1.00 12.24 H new ATOM 0 HG2 GLN A 69 10.176 -35.214 2.393 1.00 43.23 H new ATOM 0 HG3 GLN A 69 9.720 -35.788 0.802 1.00 43.23 H new ATOM 0 HE21 GLN A 69 11.286 -36.153 -0.670 1.00 55.11 H new ATOM 0 HE22 GLN A 69 12.949 -35.574 -0.536 1.00 55.11 H new ATOM 1097 N THR A 70 6.809 -33.180 -0.494 1.00 34.41 N ATOM 1098 CA THR A 70 5.455 -33.579 -0.854 1.00 31.12 C ATOM 1099 C THR A 70 4.678 -32.411 -1.452 1.00 14.02 C ATOM 1100 O THR A 70 3.511 -32.198 -1.125 1.00 32.14 O ATOM 1101 CB THR A 70 4.685 -34.122 0.365 1.00 60.43 C ATOM 1102 OG1 THR A 70 4.577 -33.106 1.368 1.00 4.01 O ATOM 1103 CG2 THR A 70 5.385 -35.342 0.945 1.00 34.31 C ATOM 0 H THR A 70 6.865 -32.311 0.036 1.00 34.41 H new ATOM 0 HA THR A 70 5.547 -34.370 -1.598 1.00 31.12 H new ATOM 0 HB THR A 70 3.688 -34.415 0.037 1.00 60.43 H new ATOM 0 HG1 THR A 70 4.085 -33.458 2.139 1.00 4.01 H new ATOM 0 HG21 THR A 70 4.824 -35.709 1.805 1.00 34.31 H new ATOM 0 HG22 THR A 70 5.441 -36.124 0.188 1.00 34.31 H new ATOM 0 HG23 THR A 70 6.392 -35.069 1.259 1.00 34.31 H new ATOM 1111 N GLY A 71 5.334 -31.657 -2.329 1.00 14.54 N ATOM 1112 CA GLY A 71 4.687 -30.519 -2.958 1.00 64.21 C ATOM 1113 C GLY A 71 4.075 -30.869 -4.300 1.00 51.14 C ATOM 1114 O GLY A 71 4.669 -31.606 -5.088 1.00 32.02 O ATOM 0 H GLY A 71 6.301 -31.813 -2.615 1.00 14.54 H new ATOM 0 HA2 GLY A 71 3.910 -30.135 -2.297 1.00 64.21 H new ATOM 0 HA3 GLY A 71 5.415 -29.719 -3.092 1.00 64.21 H new ATOM 1118 N SER A 72 2.882 -30.342 -4.560 1.00 44.04 N ATOM 1119 CA SER A 72 2.186 -30.609 -5.813 1.00 21.51 C ATOM 1120 C SER A 72 2.753 -29.750 -6.941 1.00 43.52 C ATOM 1121 O SER A 72 3.681 -28.971 -6.735 1.00 34.23 O ATOM 1122 CB SER A 72 0.689 -30.341 -5.656 1.00 40.31 C ATOM 1123 OG SER A 72 0.415 -29.673 -4.437 1.00 35.20 O ATOM 0 H SER A 72 2.378 -29.728 -3.920 1.00 44.04 H new ATOM 0 HA SER A 72 2.335 -31.658 -6.068 1.00 21.51 H new ATOM 0 HB2 SER A 72 0.335 -29.738 -6.492 1.00 40.31 H new ATOM 0 HB3 SER A 72 0.142 -31.283 -5.689 1.00 40.31 H new ATOM 0 HG SER A 72 0.532 -30.296 -3.689 1.00 35.20 H new ATOM 1129 N GLU A 73 2.185 -29.902 -8.134 1.00 12.41 N ATOM 1130 CA GLU A 73 2.633 -29.142 -9.295 1.00 51.41 C ATOM 1131 C GLU A 73 2.606 -27.644 -9.007 1.00 31.30 C ATOM 1132 O GLU A 73 3.390 -26.880 -9.570 1.00 10.14 O ATOM 1133 CB GLU A 73 1.754 -29.456 -10.508 1.00 11.41 C ATOM 1134 CG GLU A 73 2.293 -28.892 -11.811 1.00 31.21 C ATOM 1135 CD GLU A 73 1.204 -28.660 -12.841 1.00 13.12 C ATOM 1136 OE1 GLU A 73 0.323 -29.534 -12.979 1.00 62.25 O ATOM 1137 OE2 GLU A 73 1.232 -27.605 -13.508 1.00 65.21 O1- ATOM 0 H GLU A 73 1.415 -30.544 -8.321 1.00 12.41 H new ATOM 0 HA GLU A 73 3.660 -29.434 -9.515 1.00 51.41 H new ATOM 0 HB2 GLU A 73 1.654 -30.537 -10.604 1.00 11.41 H new ATOM 0 HB3 GLU A 73 0.754 -29.057 -10.335 1.00 11.41 H new ATOM 0 HG2 GLU A 73 2.805 -27.951 -11.611 1.00 31.21 H new ATOM 0 HG3 GLU A 73 3.035 -29.578 -12.220 1.00 31.21 H new ATOM 1144 N GLU A 74 1.698 -27.232 -8.128 1.00 52.02 N ATOM 1145 CA GLU A 74 1.569 -25.825 -7.767 1.00 31.11 C ATOM 1146 C GLU A 74 2.777 -25.356 -6.961 1.00 50.43 C ATOM 1147 O GLU A 74 3.227 -24.219 -7.100 1.00 33.43 O ATOM 1148 CB GLU A 74 0.287 -25.597 -6.963 1.00 4.20 C ATOM 1149 CG GLU A 74 -0.822 -24.932 -7.762 1.00 14.13 C ATOM 1150 CD GLU A 74 -2.080 -24.714 -6.944 1.00 15.13 C ATOM 1151 OE1 GLU A 74 -2.008 -24.834 -5.703 1.00 71.41 O ATOM 1152 OE2 GLU A 74 -3.135 -24.422 -7.545 1.00 53.33 O1- ATOM 0 H GLU A 74 1.042 -27.852 -7.653 1.00 52.02 H new ATOM 0 HA GLU A 74 1.521 -25.244 -8.688 1.00 31.11 H new ATOM 0 HB2 GLU A 74 -0.072 -26.555 -6.587 1.00 4.20 H new ATOM 0 HB3 GLU A 74 0.518 -24.980 -6.094 1.00 4.20 H new ATOM 0 HG2 GLU A 74 -0.468 -23.973 -8.139 1.00 14.13 H new ATOM 0 HG3 GLU A 74 -1.059 -25.548 -8.629 1.00 14.13 H new ATOM 1159 N LEU A 75 3.296 -26.241 -6.117 1.00 10.42 N ATOM 1160 CA LEU A 75 4.452 -25.919 -5.286 1.00 23.14 C ATOM 1161 C LEU A 75 5.733 -25.915 -6.115 1.00 51.13 C ATOM 1162 O LEU A 75 6.659 -25.152 -5.841 1.00 41.43 O ATOM 1163 CB LEU A 75 4.575 -26.923 -4.139 1.00 72.45 C ATOM 1164 CG LEU A 75 4.893 -26.336 -2.764 1.00 73.10 C ATOM 1165 CD1 LEU A 75 3.674 -26.410 -1.858 1.00 41.14 C ATOM 1166 CD2 LEU A 75 6.074 -27.059 -2.134 1.00 75.31 C ATOM 0 H LEU A 75 2.935 -27.187 -5.990 1.00 10.42 H new ATOM 0 HA LEU A 75 4.306 -24.921 -4.872 1.00 23.14 H new ATOM 0 HB2 LEU A 75 3.640 -27.478 -4.067 1.00 72.45 H new ATOM 0 HB3 LEU A 75 5.354 -27.642 -4.394 1.00 72.45 H new ATOM 0 HG LEU A 75 5.163 -25.288 -2.891 1.00 73.10 H new ATOM 0 HD11 LEU A 75 3.919 -25.988 -0.883 1.00 41.14 H new ATOM 0 HD12 LEU A 75 2.855 -25.845 -2.303 1.00 41.14 H new ATOM 0 HD13 LEU A 75 3.373 -27.451 -1.737 1.00 41.14 H new ATOM 0 HD21 LEU A 75 6.285 -26.627 -1.156 1.00 75.31 H new ATOM 0 HD22 LEU A 75 5.835 -28.116 -2.020 1.00 75.31 H new ATOM 0 HD23 LEU A 75 6.950 -26.952 -2.774 1.00 75.31 H new ATOM 1178 N ARG A 76 5.777 -26.772 -7.130 1.00 30.22 N ATOM 1179 CA ARG A 76 6.944 -26.867 -7.999 1.00 35.10 C ATOM 1180 C ARG A 76 7.204 -25.540 -8.707 1.00 42.10 C ATOM 1181 O ARG A 76 8.282 -24.959 -8.582 1.00 55.12 O ATOM 1182 CB ARG A 76 6.749 -27.978 -9.032 1.00 31.05 C ATOM 1183 CG ARG A 76 7.680 -29.164 -8.835 1.00 14.32 C ATOM 1184 CD ARG A 76 6.906 -30.470 -8.744 1.00 53.24 C ATOM 1185 NE ARG A 76 7.767 -31.592 -8.381 1.00 11.12 N ATOM 1186 CZ ARG A 76 7.319 -32.826 -8.175 1.00 33.23 C ATOM 1187 NH1 ARG A 76 6.027 -33.093 -8.296 1.00 42.04 N1+ ATOM 1188 NH2 ARG A 76 8.165 -33.794 -7.847 1.00 34.52 N ATOM 0 H ARG A 76 5.019 -27.410 -7.371 1.00 30.22 H new ATOM 0 HA ARG A 76 7.808 -27.105 -7.379 1.00 35.10 H new ATOM 0 HB2 ARG A 76 5.717 -28.326 -8.988 1.00 31.05 H new ATOM 0 HB3 ARG A 76 6.905 -27.567 -10.029 1.00 31.05 H new ATOM 0 HG2 ARG A 76 8.386 -29.215 -9.664 1.00 14.32 H new ATOM 0 HG3 ARG A 76 8.265 -29.022 -7.926 1.00 14.32 H new ATOM 0 HD2 ARG A 76 6.111 -30.369 -8.005 1.00 53.24 H new ATOM 0 HD3 ARG A 76 6.427 -30.675 -9.702 1.00 53.24 H new ATOM 0 HE ARG A 76 8.767 -31.419 -8.280 1.00 11.12 H new ATOM 0 HH11 ARG A 76 5.374 -32.351 -8.548 1.00 42.04 H new ATOM 0 HH12 ARG A 76 5.685 -34.041 -8.137 1.00 42.04 H new ATOM 0 HH21 ARG A 76 9.160 -33.591 -7.753 1.00 34.52 H new ATOM 0 HH22 ARG A 76 7.820 -34.741 -7.689 1.00 34.52 H new ATOM 1202 N SER A 77 6.209 -25.067 -9.450 1.00 1.40 N ATOM 1203 CA SER A 77 6.331 -23.811 -10.181 1.00 10.11 C ATOM 1204 C SER A 77 6.790 -22.687 -9.258 1.00 11.51 C ATOM 1205 O SER A 77 7.517 -21.783 -9.673 1.00 42.51 O ATOM 1206 CB SER A 77 4.995 -23.441 -10.829 1.00 60.24 C ATOM 1207 OG SER A 77 4.842 -24.082 -12.083 1.00 45.11 O ATOM 0 H SER A 77 5.309 -25.534 -9.562 1.00 1.40 H new ATOM 0 HA SER A 77 7.080 -23.945 -10.961 1.00 10.11 H new ATOM 0 HB2 SER A 77 4.176 -23.726 -10.169 1.00 60.24 H new ATOM 0 HB3 SER A 77 4.938 -22.360 -10.960 1.00 60.24 H new ATOM 0 HG SER A 77 3.980 -23.831 -12.476 1.00 45.11 H new ATOM 1213 N LEU A 78 6.360 -22.750 -8.002 1.00 13.22 N ATOM 1214 CA LEU A 78 6.726 -21.737 -7.017 1.00 4.11 C ATOM 1215 C LEU A 78 8.223 -21.771 -6.732 1.00 50.03 C ATOM 1216 O LEU A 78 8.938 -20.803 -6.992 1.00 33.13 O ATOM 1217 CB LEU A 78 5.943 -21.952 -5.721 1.00 42.23 C ATOM 1218 CG LEU A 78 4.845 -20.931 -5.422 1.00 4.24 C ATOM 1219 CD1 LEU A 78 3.890 -20.814 -6.599 1.00 3.23 C ATOM 1220 CD2 LEU A 78 4.091 -21.314 -4.157 1.00 32.24 C ATOM 0 H LEU A 78 5.758 -23.491 -7.642 1.00 13.22 H new ATOM 0 HA LEU A 78 6.476 -20.759 -7.427 1.00 4.11 H new ATOM 0 HB2 LEU A 78 5.490 -22.943 -5.754 1.00 42.23 H new ATOM 0 HB3 LEU A 78 6.648 -21.951 -4.890 1.00 42.23 H new ATOM 0 HG LEU A 78 5.313 -19.959 -5.262 1.00 4.24 H new ATOM 0 HD11 LEU A 78 3.115 -20.083 -6.368 1.00 3.23 H new ATOM 0 HD12 LEU A 78 4.440 -20.492 -7.483 1.00 3.23 H new ATOM 0 HD13 LEU A 78 3.429 -21.783 -6.791 1.00 3.23 H new ATOM 0 HD21 LEU A 78 3.313 -20.576 -3.959 1.00 32.24 H new ATOM 0 HD22 LEU A 78 3.635 -22.295 -4.288 1.00 32.24 H new ATOM 0 HD23 LEU A 78 4.784 -21.345 -3.316 1.00 32.24 H new ATOM 1232 N TYR A 79 8.693 -22.893 -6.197 1.00 33.13 N ATOM 1233 CA TYR A 79 10.106 -23.053 -5.876 1.00 50.00 C ATOM 1234 C TYR A 79 10.976 -22.797 -7.102 1.00 70.44 C ATOM 1235 O TYR A 79 12.137 -22.409 -6.983 1.00 70.30 O ATOM 1236 CB TYR A 79 10.371 -24.458 -5.333 1.00 43.05 C ATOM 1237 CG TYR A 79 11.691 -24.589 -4.607 1.00 33.14 C ATOM 1238 CD1 TYR A 79 11.877 -24.013 -3.356 1.00 52.12 C ATOM 1239 CD2 TYR A 79 12.752 -25.285 -5.171 1.00 64.04 C ATOM 1240 CE1 TYR A 79 13.081 -24.128 -2.689 1.00 74.35 C ATOM 1241 CE2 TYR A 79 13.959 -25.407 -4.511 1.00 21.02 C ATOM 1242 CZ TYR A 79 14.119 -24.827 -3.271 1.00 14.32 C ATOM 1243 OH TYR A 79 15.321 -24.944 -2.610 1.00 41.10 O ATOM 0 H TYR A 79 8.116 -23.705 -5.977 1.00 33.13 H new ATOM 0 HA TYR A 79 10.364 -22.320 -5.111 1.00 50.00 H new ATOM 0 HB2 TYR A 79 9.564 -24.734 -4.654 1.00 43.05 H new ATOM 0 HB3 TYR A 79 10.349 -25.168 -6.160 1.00 43.05 H new ATOM 0 HD1 TYR A 79 11.066 -23.466 -2.898 1.00 52.12 H new ATOM 0 HD2 TYR A 79 12.631 -25.739 -6.143 1.00 64.04 H new ATOM 0 HE1 TYR A 79 13.209 -23.674 -1.718 1.00 74.35 H new ATOM 0 HE2 TYR A 79 14.773 -25.954 -4.964 1.00 21.02 H new ATOM 0 HH TYR A 79 15.945 -25.467 -3.156 1.00 41.10 H new ATOM 1253 N ASN A 80 10.404 -23.017 -8.282 1.00 10.22 N ATOM 1254 CA ASN A 80 11.126 -22.810 -9.532 1.00 5.42 C ATOM 1255 C ASN A 80 11.204 -21.327 -9.876 1.00 22.42 C ATOM 1256 O ASN A 80 12.290 -20.747 -9.935 1.00 12.10 O ATOM 1257 CB ASN A 80 10.446 -23.574 -10.670 1.00 4.44 C ATOM 1258 CG ASN A 80 11.036 -24.957 -10.873 1.00 32.41 C ATOM 1259 OD1 ASN A 80 11.668 -25.512 -9.974 1.00 51.30 O ATOM 1260 ND2 ASN A 80 10.832 -25.518 -12.059 1.00 40.41 N ATOM 0 H ASN A 80 9.443 -23.338 -8.398 1.00 10.22 H new ATOM 0 HA ASN A 80 12.140 -23.189 -9.404 1.00 5.42 H new ATOM 0 HB2 ASN A 80 9.381 -23.664 -10.457 1.00 4.44 H new ATOM 0 HB3 ASN A 80 10.540 -23.003 -11.594 1.00 4.44 H new ATOM 0 HD21 ASN A 80 11.205 -26.447 -12.255 1.00 40.41 H new ATOM 0 HD22 ASN A 80 10.302 -25.020 -12.774 1.00 40.41 H new ATOM 1267 N THR A 81 10.046 -20.715 -10.103 1.00 14.22 N ATOM 1268 CA THR A 81 9.983 -19.299 -10.442 1.00 53.11 C ATOM 1269 C THR A 81 10.630 -18.445 -9.357 1.00 31.55 C ATOM 1270 O THR A 81 11.522 -17.643 -9.637 1.00 55.13 O ATOM 1271 CB THR A 81 8.529 -18.835 -10.645 1.00 12.34 C ATOM 1272 OG1 THR A 81 7.914 -19.592 -11.693 1.00 71.21 O ATOM 1273 CG2 THR A 81 8.476 -17.352 -10.985 1.00 42.33 C ATOM 0 H THR A 81 9.138 -21.178 -10.058 1.00 14.22 H new ATOM 0 HA THR A 81 10.531 -19.172 -11.376 1.00 53.11 H new ATOM 0 HB THR A 81 7.986 -18.998 -9.714 1.00 12.34 H new ATOM 0 HG1 THR A 81 7.633 -20.464 -11.345 1.00 71.21 H new ATOM 0 HG21 THR A 81 7.439 -17.047 -11.124 1.00 42.33 H new ATOM 0 HG22 THR A 81 8.917 -16.776 -10.172 1.00 42.33 H new ATOM 0 HG23 THR A 81 9.034 -17.169 -11.903 1.00 42.33 H new ATOM 1281 N ILE A 82 10.177 -18.623 -8.121 1.00 33.13 N ATOM 1282 CA ILE A 82 10.714 -17.869 -6.995 1.00 22.44 C ATOM 1283 C ILE A 82 12.234 -17.969 -6.942 1.00 70.24 C ATOM 1284 O ILE A 82 12.921 -16.991 -6.649 1.00 34.33 O ATOM 1285 CB ILE A 82 10.131 -18.361 -5.658 1.00 64.14 C ATOM 1286 CG1 ILE A 82 8.605 -18.243 -5.667 1.00 72.13 C ATOM 1287 CG2 ILE A 82 10.723 -17.573 -4.499 1.00 3.51 C ATOM 1288 CD1 ILE A 82 7.929 -19.079 -4.603 1.00 50.13 C ATOM 0 H ILE A 82 9.439 -19.283 -7.874 1.00 33.13 H new ATOM 0 HA ILE A 82 10.426 -16.829 -7.146 1.00 22.44 H new ATOM 0 HB ILE A 82 10.394 -19.411 -5.529 1.00 64.14 H new ATOM 0 HG12 ILE A 82 8.328 -17.198 -5.527 1.00 72.13 H new ATOM 0 HG13 ILE A 82 8.231 -18.543 -6.646 1.00 72.13 H new ATOM 0 HG21 ILE A 82 10.301 -17.933 -3.561 1.00 3.51 H new ATOM 0 HG22 ILE A 82 11.805 -17.705 -4.484 1.00 3.51 H new ATOM 0 HG23 ILE A 82 10.488 -16.516 -4.620 1.00 3.51 H new ATOM 0 HD11 ILE A 82 6.849 -18.947 -4.668 1.00 50.13 H new ATOM 0 HD12 ILE A 82 8.176 -20.130 -4.755 1.00 50.13 H new ATOM 0 HD13 ILE A 82 8.275 -18.764 -3.618 1.00 50.13 H new ATOM 1300 N ALA A 83 12.754 -19.158 -7.230 1.00 74.00 N ATOM 1301 CA ALA A 83 14.194 -19.386 -7.218 1.00 22.12 C ATOM 1302 C ALA A 83 14.906 -18.442 -8.182 1.00 70.32 C ATOM 1303 O ALA A 83 15.800 -17.694 -7.787 1.00 62.45 O ATOM 1304 CB ALA A 83 14.502 -20.834 -7.570 1.00 35.23 C ATOM 0 H ALA A 83 12.199 -19.978 -7.475 1.00 74.00 H new ATOM 0 HA ALA A 83 14.562 -19.182 -6.212 1.00 22.12 H new ATOM 0 HB1 ALA A 83 15.581 -20.990 -7.557 1.00 35.23 H new ATOM 0 HB2 ALA A 83 14.031 -21.494 -6.841 1.00 35.23 H new ATOM 0 HB3 ALA A 83 14.115 -21.057 -8.564 1.00 35.23 H new ATOM 1310 N VAL A 84 14.504 -18.482 -9.448 1.00 44.53 N ATOM 1311 CA VAL A 84 15.103 -17.631 -10.469 1.00 72.44 C ATOM 1312 C VAL A 84 15.077 -16.166 -10.048 1.00 41.54 C ATOM 1313 O VAL A 84 16.018 -15.416 -10.308 1.00 62.11 O ATOM 1314 CB VAL A 84 14.379 -17.779 -11.820 1.00 31.22 C ATOM 1315 CG1 VAL A 84 15.001 -16.862 -12.862 1.00 72.04 C ATOM 1316 CG2 VAL A 84 14.410 -19.228 -12.284 1.00 31.45 C ATOM 0 H VAL A 84 13.765 -19.095 -9.791 1.00 44.53 H new ATOM 0 HA VAL A 84 16.137 -17.955 -10.583 1.00 72.44 H new ATOM 0 HB VAL A 84 13.337 -17.486 -11.690 1.00 31.22 H new ATOM 0 HG11 VAL A 84 14.477 -16.980 -13.810 1.00 72.04 H new ATOM 0 HG12 VAL A 84 14.921 -15.827 -12.530 1.00 72.04 H new ATOM 0 HG13 VAL A 84 16.052 -17.121 -12.994 1.00 72.04 H new ATOM 0 HG21 VAL A 84 13.894 -19.315 -13.240 1.00 31.45 H new ATOM 0 HG22 VAL A 84 15.445 -19.551 -12.399 1.00 31.45 H new ATOM 0 HG23 VAL A 84 13.914 -19.857 -11.545 1.00 31.45 H new ATOM 1326 N LEU A 85 13.992 -15.764 -9.394 1.00 62.15 N ATOM 1327 CA LEU A 85 13.841 -14.388 -8.935 1.00 54.10 C ATOM 1328 C LEU A 85 14.842 -14.070 -7.829 1.00 52.53 C ATOM 1329 O LEU A 85 15.594 -13.100 -7.917 1.00 31.00 O ATOM 1330 CB LEU A 85 12.416 -14.150 -8.433 1.00 64.55 C ATOM 1331 CG LEU A 85 11.832 -12.762 -8.702 1.00 74.24 C ATOM 1332 CD1 LEU A 85 10.501 -12.874 -9.427 1.00 72.41 C ATOM 1333 CD2 LEU A 85 11.670 -11.991 -7.400 1.00 71.00 C ATOM 0 H LEU A 85 13.204 -16.372 -9.170 1.00 62.15 H new ATOM 0 HA LEU A 85 14.037 -13.726 -9.779 1.00 54.10 H new ATOM 0 HB2 LEU A 85 11.762 -14.892 -8.891 1.00 64.55 H new ATOM 0 HB3 LEU A 85 12.396 -14.328 -7.358 1.00 64.55 H new ATOM 0 HG LEU A 85 12.525 -12.215 -9.341 1.00 74.24 H new ATOM 0 HD11 LEU A 85 10.101 -11.877 -9.610 1.00 72.41 H new ATOM 0 HD12 LEU A 85 10.647 -13.386 -10.378 1.00 72.41 H new ATOM 0 HD13 LEU A 85 9.799 -13.440 -8.814 1.00 72.41 H new ATOM 0 HD21 LEU A 85 11.253 -11.006 -7.610 1.00 71.00 H new ATOM 0 HD22 LEU A 85 10.998 -12.535 -6.736 1.00 71.00 H new ATOM 0 HD23 LEU A 85 12.642 -11.879 -6.920 1.00 71.00 H new ATOM 1345 N TYR A 86 14.848 -14.896 -6.788 1.00 5.41 N ATOM 1346 CA TYR A 86 15.756 -14.704 -5.664 1.00 34.02 C ATOM 1347 C TYR A 86 17.198 -14.579 -6.145 1.00 55.34 C ATOM 1348 O TYR A 86 17.921 -13.666 -5.743 1.00 32.42 O ATOM 1349 CB TYR A 86 15.634 -15.866 -4.678 1.00 43.31 C ATOM 1350 CG TYR A 86 16.677 -15.845 -3.583 1.00 21.53 C ATOM 1351 CD1 TYR A 86 16.523 -15.035 -2.465 1.00 21.50 C ATOM 1352 CD2 TYR A 86 17.817 -16.635 -3.668 1.00 22.34 C ATOM 1353 CE1 TYR A 86 17.474 -15.011 -1.464 1.00 73.14 C ATOM 1354 CE2 TYR A 86 18.773 -16.618 -2.671 1.00 45.41 C ATOM 1355 CZ TYR A 86 18.597 -15.805 -1.571 1.00 35.10 C ATOM 1356 OH TYR A 86 19.547 -15.785 -0.575 1.00 51.33 O ATOM 0 H TYR A 86 14.234 -15.705 -6.700 1.00 5.41 H new ATOM 0 HA TYR A 86 15.479 -13.779 -5.159 1.00 34.02 H new ATOM 0 HB2 TYR A 86 14.643 -15.844 -4.224 1.00 43.31 H new ATOM 0 HB3 TYR A 86 15.713 -16.805 -5.225 1.00 43.31 H new ATOM 0 HD1 TYR A 86 15.644 -14.413 -2.377 1.00 21.50 H new ATOM 0 HD2 TYR A 86 17.958 -17.273 -4.528 1.00 22.34 H new ATOM 0 HE1 TYR A 86 17.339 -14.374 -0.602 1.00 73.14 H new ATOM 0 HE2 TYR A 86 19.654 -17.238 -2.753 1.00 45.41 H new ATOM 0 HH TYR A 86 20.438 -15.700 -0.974 1.00 51.33 H new ATOM 1366 N CYS A 87 17.610 -15.503 -7.005 1.00 64.51 N ATOM 1367 CA CYS A 87 18.966 -15.498 -7.542 1.00 20.23 C ATOM 1368 C CYS A 87 19.305 -14.142 -8.152 1.00 11.23 C ATOM 1369 O CYS A 87 20.448 -13.689 -8.090 1.00 72.05 O ATOM 1370 CB CYS A 87 19.125 -16.598 -8.593 1.00 74.12 C ATOM 1371 SG CYS A 87 18.953 -18.275 -7.939 1.00 20.21 S ATOM 0 H CYS A 87 17.024 -16.266 -7.346 1.00 64.51 H new ATOM 0 HA CYS A 87 19.656 -15.689 -6.720 1.00 20.23 H new ATOM 0 HB2 CYS A 87 18.382 -16.447 -9.376 1.00 74.12 H new ATOM 0 HB3 CYS A 87 20.105 -16.500 -9.060 1.00 74.12 H new ATOM 0 HG CYS A 87 17.700 -18.520 -7.696 1.00 20.21 H new ATOM 1377 N VAL A 88 18.303 -13.497 -8.742 1.00 62.43 N ATOM 1378 CA VAL A 88 18.495 -12.193 -9.364 1.00 40.13 C ATOM 1379 C VAL A 88 18.734 -11.113 -8.314 1.00 63.31 C ATOM 1380 O VAL A 88 19.635 -10.285 -8.455 1.00 44.12 O ATOM 1381 CB VAL A 88 17.279 -11.797 -10.224 1.00 54.33 C ATOM 1382 CG1 VAL A 88 17.496 -10.432 -10.858 1.00 5.13 C ATOM 1383 CG2 VAL A 88 17.012 -12.852 -11.286 1.00 20.51 C ATOM 0 H VAL A 88 17.350 -13.857 -8.802 1.00 62.43 H new ATOM 0 HA VAL A 88 19.373 -12.274 -10.004 1.00 40.13 H new ATOM 0 HB VAL A 88 16.403 -11.735 -9.578 1.00 54.33 H new ATOM 0 HG11 VAL A 88 16.627 -10.169 -11.462 1.00 5.13 H new ATOM 0 HG12 VAL A 88 17.634 -9.685 -10.076 1.00 5.13 H new ATOM 0 HG13 VAL A 88 18.382 -10.462 -11.492 1.00 5.13 H new ATOM 0 HG21 VAL A 88 16.150 -12.556 -11.884 1.00 20.51 H new ATOM 0 HG22 VAL A 88 17.885 -12.948 -11.931 1.00 20.51 H new ATOM 0 HG23 VAL A 88 16.809 -13.809 -10.805 1.00 20.51 H new ATOM 1393 N HIS A 89 17.924 -11.129 -7.262 1.00 13.15 N ATOM 1394 CA HIS A 89 18.048 -10.151 -6.186 1.00 12.33 C ATOM 1395 C HIS A 89 19.358 -10.343 -5.427 1.00 24.44 C ATOM 1396 O HIS A 89 19.913 -9.333 -4.995 1.00 22.34 O ATOM 1397 CB HIS A 89 16.866 -10.269 -5.222 1.00 60.12 C ATOM 1398 CG HIS A 89 15.569 -9.800 -5.806 1.00 42.33 C ATOM 1399 ND1 HIS A 89 15.490 -8.845 -6.796 1.00 34.44 N ATOM 1400 CD2 HIS A 89 14.293 -10.163 -5.534 1.00 74.40 C ATOM 1401 CE1 HIS A 89 14.223 -8.638 -7.107 1.00 45.13 C ATOM 1402 NE2 HIS A 89 13.476 -9.427 -6.355 1.00 1.24 N ATOM 0 H HIS A 89 17.174 -11.808 -7.130 1.00 13.15 H new ATOM 0 HA HIS A 89 18.047 -9.156 -6.631 1.00 12.33 H new ATOM 0 HB2 HIS A 89 16.761 -11.309 -4.914 1.00 60.12 H new ATOM 0 HB3 HIS A 89 17.081 -9.690 -4.324 1.00 60.12 H new ATOM 0 HD1 HIS A 89 16.286 -8.371 -7.223 1.00 34.44 H new ATOM 0 HD2 HIS A 89 13.977 -10.896 -4.806 1.00 74.40 H new ATOM 0 HE1 HIS A 89 13.860 -7.943 -7.849 1.00 45.13 H new ATOM 0 HE2 HIS A 89 12.458 -9.480 -6.381 1.00 1.24 H new ATOM 1411 N GLN A 90 19.849 -11.567 -5.261 1.00 31.13 N ATOM 1412 CA GLN A 90 21.096 -11.798 -4.544 1.00 74.34 C ATOM 1413 C GLN A 90 22.298 -11.430 -5.409 1.00 52.35 C ATOM 1414 O GLN A 90 22.956 -10.416 -5.174 1.00 61.43 O ATOM 1415 CB GLN A 90 21.196 -13.261 -4.108 1.00 50.11 C ATOM 1416 CG GLN A 90 22.527 -13.615 -3.466 1.00 44.22 C ATOM 1417 CD GLN A 90 22.371 -14.523 -2.262 1.00 53.00 C ATOM 1418 OE1 GLN A 90 21.753 -15.584 -2.345 1.00 62.44 O ATOM 1419 NE2 GLN A 90 22.932 -14.109 -1.132 1.00 35.13 N ATOM 0 H GLN A 90 19.402 -12.413 -5.613 1.00 31.13 H new ATOM 0 HA GLN A 90 21.099 -11.162 -3.659 1.00 74.34 H new ATOM 0 HB2 GLN A 90 20.393 -13.477 -3.403 1.00 50.11 H new ATOM 0 HB3 GLN A 90 21.039 -13.902 -4.976 1.00 50.11 H new ATOM 0 HG2 GLN A 90 23.164 -14.103 -4.204 1.00 44.22 H new ATOM 0 HG3 GLN A 90 23.035 -12.699 -3.162 1.00 44.22 H new ATOM 0 HE21 GLN A 90 23.435 -13.222 -1.108 1.00 35.13 H new ATOM 0 HE22 GLN A 90 22.860 -14.678 -0.288 1.00 35.13 H new ATOM 1428 N ARG A 91 22.579 -12.261 -6.407 1.00 2.21 N ATOM 1429 CA ARG A 91 23.701 -12.024 -7.306 1.00 73.43 C ATOM 1430 C ARG A 91 23.786 -13.115 -8.370 1.00 15.10 C ATOM 1431 O ARG A 91 24.154 -12.851 -9.514 1.00 22.31 O ATOM 1432 CB ARG A 91 25.010 -11.965 -6.516 1.00 34.33 C ATOM 1433 CG ARG A 91 25.910 -10.804 -6.913 1.00 44.50 C ATOM 1434 CD ARG A 91 26.896 -11.210 -7.997 1.00 43.12 C ATOM 1435 NE ARG A 91 28.068 -11.884 -7.446 1.00 3.32 N ATOM 1436 CZ ARG A 91 29.153 -12.172 -8.157 1.00 11.02 C ATOM 1437 NH1 ARG A 91 29.213 -11.845 -9.441 1.00 55.23 N1+ ATOM 1438 NH2 ARG A 91 30.179 -12.787 -7.584 1.00 64.03 N ATOM 0 H ARG A 91 22.044 -13.105 -6.613 1.00 2.21 H new ATOM 0 HA ARG A 91 23.540 -11.068 -7.803 1.00 73.43 H new ATOM 0 HB2 ARG A 91 24.780 -11.888 -5.453 1.00 34.33 H new ATOM 0 HB3 ARG A 91 25.553 -12.900 -6.658 1.00 34.33 H new ATOM 0 HG2 ARG A 91 25.300 -9.973 -7.267 1.00 44.50 H new ATOM 0 HG3 ARG A 91 26.455 -10.449 -6.038 1.00 44.50 H new ATOM 0 HD2 ARG A 91 26.400 -11.869 -8.709 1.00 43.12 H new ATOM 0 HD3 ARG A 91 27.213 -10.325 -8.549 1.00 43.12 H new ATOM 0 HE ARG A 91 28.053 -12.148 -6.461 1.00 3.32 H new ATOM 0 HH11 ARG A 91 28.426 -11.372 -9.884 1.00 55.23 H new ATOM 0 HH12 ARG A 91 30.047 -12.067 -9.985 1.00 55.23 H new ATOM 0 HH21 ARG A 91 30.136 -13.039 -6.597 1.00 64.03 H new ATOM 0 HH22 ARG A 91 31.011 -13.008 -8.131 1.00 64.03 H new ATOM 1452 N ILE A 92 23.444 -14.339 -7.984 1.00 55.15 N ATOM 1453 CA ILE A 92 23.481 -15.468 -8.904 1.00 75.33 C ATOM 1454 C ILE A 92 22.712 -15.160 -10.184 1.00 33.43 C ATOM 1455 O ILE A 92 21.516 -14.871 -10.147 1.00 64.12 O ATOM 1456 CB ILE A 92 22.895 -16.739 -8.260 1.00 74.32 C ATOM 1457 CG1 ILE A 92 23.667 -17.094 -6.987 1.00 24.51 C ATOM 1458 CG2 ILE A 92 22.927 -17.896 -9.247 1.00 74.52 C ATOM 1459 CD1 ILE A 92 22.792 -17.191 -5.757 1.00 31.23 C ATOM 0 H ILE A 92 23.138 -14.574 -7.040 1.00 55.15 H new ATOM 0 HA ILE A 92 24.529 -15.643 -9.146 1.00 75.33 H new ATOM 0 HB ILE A 92 21.856 -16.547 -7.990 1.00 74.32 H new ATOM 0 HG12 ILE A 92 24.178 -18.045 -7.135 1.00 24.51 H new ATOM 0 HG13 ILE A 92 24.437 -16.341 -6.817 1.00 24.51 H new ATOM 0 HG21 ILE A 92 22.510 -18.787 -8.777 1.00 74.52 H new ATOM 0 HG22 ILE A 92 22.337 -17.640 -10.127 1.00 74.52 H new ATOM 0 HG23 ILE A 92 23.957 -18.092 -9.545 1.00 74.52 H new ATOM 0 HD11 ILE A 92 23.406 -17.446 -4.893 1.00 31.23 H new ATOM 0 HD12 ILE A 92 22.301 -16.234 -5.584 1.00 31.23 H new ATOM 0 HD13 ILE A 92 22.038 -17.964 -5.907 1.00 31.23 H new ATOM 1471 N ASP A 93 23.407 -15.223 -11.314 1.00 5.13 N ATOM 1472 CA ASP A 93 22.789 -14.954 -12.608 1.00 12.31 C ATOM 1473 C ASP A 93 22.668 -16.233 -13.429 1.00 43.32 C ATOM 1474 O ASP A 93 23.211 -16.330 -14.530 1.00 4.12 O ATOM 1475 CB ASP A 93 23.603 -13.913 -13.378 1.00 24.43 C ATOM 1476 CG ASP A 93 22.877 -13.404 -14.607 1.00 5.24 C ATOM 1477 OD1 ASP A 93 21.800 -12.791 -14.450 1.00 53.23 O1- ATOM 1478 OD2 ASP A 93 23.382 -13.621 -15.729 1.00 71.52 O ATOM 0 H ASP A 93 24.398 -15.458 -11.361 1.00 5.13 H new ATOM 0 HA ASP A 93 21.787 -14.562 -12.431 1.00 12.31 H new ATOM 0 HB2 ASP A 93 23.830 -13.074 -12.720 1.00 24.43 H new ATOM 0 HB3 ASP A 93 24.556 -14.350 -13.677 1.00 24.43 H new ATOM 1483 N VAL A 94 21.954 -17.214 -12.887 1.00 2.51 N ATOM 1484 CA VAL A 94 21.761 -18.488 -13.569 1.00 42.02 C ATOM 1485 C VAL A 94 21.174 -18.283 -14.961 1.00 12.32 C ATOM 1486 O VAL A 94 20.689 -17.199 -15.289 1.00 45.41 O ATOM 1487 CB VAL A 94 20.836 -19.421 -12.766 1.00 30.04 C ATOM 1488 CG1 VAL A 94 21.508 -19.854 -11.472 1.00 2.32 C ATOM 1489 CG2 VAL A 94 19.506 -18.738 -12.484 1.00 73.23 C ATOM 0 H VAL A 94 21.499 -17.151 -11.976 1.00 2.51 H new ATOM 0 HA VAL A 94 22.744 -18.951 -13.657 1.00 42.02 H new ATOM 0 HB VAL A 94 20.641 -20.313 -13.362 1.00 30.04 H new ATOM 0 HG11 VAL A 94 20.840 -20.513 -10.918 1.00 2.32 H new ATOM 0 HG12 VAL A 94 22.432 -20.384 -11.702 1.00 2.32 H new ATOM 0 HG13 VAL A 94 21.735 -18.975 -10.868 1.00 2.32 H new ATOM 0 HG21 VAL A 94 18.864 -19.411 -11.916 1.00 73.23 H new ATOM 0 HG22 VAL A 94 19.679 -17.829 -11.908 1.00 73.23 H new ATOM 0 HG23 VAL A 94 19.021 -18.484 -13.426 1.00 73.23 H new ATOM 1499 N LYS A 95 21.219 -19.330 -15.777 1.00 74.32 N ATOM 1500 CA LYS A 95 20.690 -19.267 -17.134 1.00 3.21 C ATOM 1501 C LYS A 95 19.297 -19.886 -17.204 1.00 71.25 C ATOM 1502 O LYS A 95 18.491 -19.526 -18.061 1.00 23.33 O ATOM 1503 CB LYS A 95 21.630 -19.988 -18.103 1.00 24.23 C ATOM 1504 CG LYS A 95 21.952 -19.181 -19.350 1.00 21.11 C ATOM 1505 CD LYS A 95 21.519 -19.908 -20.612 1.00 42.53 C ATOM 1506 CE LYS A 95 20.961 -18.943 -21.647 1.00 4.02 C ATOM 1507 NZ LYS A 95 19.556 -18.554 -21.341 1.00 14.03 N1+ ATOM 0 H LYS A 95 21.617 -20.234 -15.522 1.00 74.32 H new ATOM 0 HA LYS A 95 20.617 -18.218 -17.421 1.00 3.21 H new ATOM 0 HB2 LYS A 95 22.559 -20.227 -17.585 1.00 24.23 H new ATOM 0 HB3 LYS A 95 21.177 -20.934 -18.399 1.00 24.23 H new ATOM 0 HG2 LYS A 95 21.453 -18.213 -19.297 1.00 21.11 H new ATOM 0 HG3 LYS A 95 23.023 -18.985 -19.391 1.00 21.11 H new ATOM 0 HD2 LYS A 95 22.369 -20.444 -21.034 1.00 42.53 H new ATOM 0 HD3 LYS A 95 20.763 -20.653 -20.363 1.00 42.53 H new ATOM 0 HE2 LYS A 95 21.585 -18.050 -21.685 1.00 4.02 H new ATOM 0 HE3 LYS A 95 21.004 -19.404 -22.634 1.00 4.02 H new ATOM 0 HZ1 LYS A 95 19.212 -17.896 -22.069 1.00 14.03 H new ATOM 0 HZ2 LYS A 95 18.955 -19.403 -21.330 1.00 14.03 H new ATOM 0 HZ3 LYS A 95 19.519 -18.091 -20.410 1.00 14.03 H new ATOM 1521 N ASP A 96 19.022 -20.816 -16.297 1.00 64.12 N ATOM 1522 CA ASP A 96 17.726 -21.483 -16.255 1.00 12.30 C ATOM 1523 C ASP A 96 17.259 -21.673 -14.814 1.00 32.22 C ATOM 1524 O ASP A 96 17.913 -21.221 -13.873 1.00 21.02 O ATOM 1525 CB ASP A 96 17.802 -22.837 -16.963 1.00 12.41 C ATOM 1526 CG ASP A 96 18.999 -23.656 -16.519 1.00 2.45 C ATOM 1527 OD1 ASP A 96 18.869 -24.407 -15.529 1.00 30.51 O ATOM 1528 OD2 ASP A 96 20.063 -23.546 -17.162 1.00 14.44 O1- ATOM 0 H ASP A 96 19.679 -21.125 -15.581 1.00 64.12 H new ATOM 0 HA ASP A 96 17.003 -20.852 -16.772 1.00 12.30 H new ATOM 0 HB2 ASP A 96 16.888 -23.398 -16.767 1.00 12.41 H new ATOM 0 HB3 ASP A 96 17.853 -22.678 -18.040 1.00 12.41 H new ATOM 1533 N THR A 97 16.124 -22.344 -14.650 1.00 55.54 N ATOM 1534 CA THR A 97 15.569 -22.592 -13.325 1.00 12.21 C ATOM 1535 C THR A 97 16.340 -23.691 -12.602 1.00 4.04 C ATOM 1536 O THR A 97 16.605 -23.593 -11.404 1.00 71.51 O ATOM 1537 CB THR A 97 14.083 -22.991 -13.404 1.00 22.45 C ATOM 1538 OG1 THR A 97 13.347 -21.995 -14.125 1.00 30.31 O ATOM 1539 CG2 THR A 97 13.492 -23.158 -12.012 1.00 32.54 C ATOM 0 H THR A 97 15.571 -22.725 -15.418 1.00 55.54 H new ATOM 0 HA THR A 97 15.659 -21.661 -12.766 1.00 12.21 H new ATOM 0 HB THR A 97 14.012 -23.945 -13.927 1.00 22.45 H new ATOM 0 HG1 THR A 97 13.857 -21.720 -14.915 1.00 30.31 H new ATOM 0 HG21 THR A 97 12.442 -23.440 -12.094 1.00 32.54 H new ATOM 0 HG22 THR A 97 14.036 -23.936 -11.477 1.00 32.54 H new ATOM 0 HG23 THR A 97 13.574 -22.218 -11.467 1.00 32.54 H new ATOM 1547 N LYS A 98 16.697 -24.739 -13.338 1.00 23.42 N ATOM 1548 CA LYS A 98 17.440 -25.857 -12.769 1.00 12.54 C ATOM 1549 C LYS A 98 18.729 -25.375 -12.112 1.00 2.13 C ATOM 1550 O LYS A 98 19.029 -25.735 -10.974 1.00 0.41 O ATOM 1551 CB LYS A 98 17.761 -26.887 -13.853 1.00 62.15 C ATOM 1552 CG LYS A 98 17.364 -28.306 -13.482 1.00 33.01 C ATOM 1553 CD LYS A 98 18.387 -28.949 -12.561 1.00 34.24 C ATOM 1554 CE LYS A 98 19.204 -30.005 -13.287 1.00 62.04 C ATOM 1555 NZ LYS A 98 18.482 -31.307 -13.366 1.00 74.04 N1+ ATOM 0 H LYS A 98 16.483 -24.837 -14.331 1.00 23.42 H new ATOM 0 HA LYS A 98 16.817 -26.324 -12.006 1.00 12.54 H new ATOM 0 HB2 LYS A 98 17.250 -26.605 -14.773 1.00 62.15 H new ATOM 0 HB3 LYS A 98 18.831 -26.861 -14.062 1.00 62.15 H new ATOM 0 HG2 LYS A 98 16.389 -28.296 -12.994 1.00 33.01 H new ATOM 0 HG3 LYS A 98 17.261 -28.904 -14.387 1.00 33.01 H new ATOM 0 HD2 LYS A 98 19.052 -28.183 -12.163 1.00 34.24 H new ATOM 0 HD3 LYS A 98 17.878 -29.402 -11.710 1.00 34.24 H new ATOM 0 HE2 LYS A 98 19.436 -29.657 -14.293 1.00 62.04 H new ATOM 0 HE3 LYS A 98 20.154 -30.147 -12.772 1.00 62.04 H new ATOM 0 HZ1 LYS A 98 19.072 -32.001 -13.868 1.00 74.04 H new ATOM 0 HZ2 LYS A 98 18.283 -31.652 -12.405 1.00 74.04 H new ATOM 0 HZ3 LYS A 98 17.587 -31.177 -13.880 1.00 74.04 H new ATOM 1569 N GLU A 99 19.487 -24.557 -12.836 1.00 61.05 N ATOM 1570 CA GLU A 99 20.744 -24.027 -12.322 1.00 70.22 C ATOM 1571 C GLU A 99 20.512 -23.208 -11.055 1.00 23.03 C ATOM 1572 O GLU A 99 21.298 -23.269 -10.111 1.00 33.23 O ATOM 1573 CB GLU A 99 21.431 -23.163 -13.382 1.00 43.12 C ATOM 1574 CG GLU A 99 22.588 -23.859 -14.078 1.00 4.25 C ATOM 1575 CD GLU A 99 22.799 -23.364 -15.496 1.00 3.02 C ATOM 1576 OE1 GLU A 99 22.701 -22.139 -15.718 1.00 22.43 O1- ATOM 1577 OE2 GLU A 99 23.061 -24.203 -16.384 1.00 33.13 O ATOM 0 H GLU A 99 19.252 -24.247 -13.779 1.00 61.05 H new ATOM 0 HA GLU A 99 21.390 -24.870 -12.076 1.00 70.22 H new ATOM 0 HB2 GLU A 99 20.695 -22.865 -14.129 1.00 43.12 H new ATOM 0 HB3 GLU A 99 21.797 -22.250 -12.913 1.00 43.12 H new ATOM 0 HG2 GLU A 99 23.500 -23.702 -13.503 1.00 4.25 H new ATOM 0 HG3 GLU A 99 22.403 -24.933 -14.096 1.00 4.25 H new ATOM 1584 N ALA A 100 19.425 -22.442 -11.044 1.00 20.41 N ATOM 1585 CA ALA A 100 19.088 -21.611 -9.895 1.00 3.11 C ATOM 1586 C ALA A 100 18.800 -22.467 -8.666 1.00 61.20 C ATOM 1587 O ALA A 100 19.005 -22.031 -7.532 1.00 3.55 O ATOM 1588 CB ALA A 100 17.892 -20.727 -10.216 1.00 52.22 C ATOM 0 H ALA A 100 18.763 -22.380 -11.818 1.00 20.41 H new ATOM 0 HA ALA A 100 19.946 -20.976 -9.672 1.00 3.11 H new ATOM 0 HB1 ALA A 100 17.651 -20.112 -9.349 1.00 52.22 H new ATOM 0 HB2 ALA A 100 18.132 -20.083 -11.062 1.00 52.22 H new ATOM 0 HB3 ALA A 100 17.035 -21.352 -10.467 1.00 52.22 H new ATOM 1594 N LEU A 101 18.325 -23.686 -8.897 1.00 35.22 N ATOM 1595 CA LEU A 101 18.009 -24.603 -7.807 1.00 1.43 C ATOM 1596 C LEU A 101 19.279 -25.203 -7.215 1.00 63.14 C ATOM 1597 O LEU A 101 19.477 -25.191 -6.001 1.00 51.32 O ATOM 1598 CB LEU A 101 17.087 -25.718 -8.304 1.00 30.44 C ATOM 1599 CG LEU A 101 15.715 -25.276 -8.815 1.00 1.32 C ATOM 1600 CD1 LEU A 101 15.134 -26.322 -9.754 1.00 33.41 C ATOM 1601 CD2 LEU A 101 14.770 -25.018 -7.650 1.00 24.33 C ATOM 0 H LEU A 101 18.150 -24.062 -9.829 1.00 35.22 H new ATOM 0 HA LEU A 101 17.498 -24.039 -7.026 1.00 1.43 H new ATOM 0 HB2 LEU A 101 17.596 -26.253 -9.106 1.00 30.44 H new ATOM 0 HB3 LEU A 101 16.938 -26.429 -7.491 1.00 30.44 H new ATOM 0 HG LEU A 101 15.837 -24.346 -9.370 1.00 1.32 H new ATOM 0 HD11 LEU A 101 14.158 -25.991 -10.108 1.00 33.41 H new ATOM 0 HD12 LEU A 101 15.802 -26.458 -10.605 1.00 33.41 H new ATOM 0 HD13 LEU A 101 15.026 -27.268 -9.223 1.00 33.41 H new ATOM 0 HD21 LEU A 101 13.799 -24.704 -8.032 1.00 24.33 H new ATOM 0 HD22 LEU A 101 14.653 -25.932 -7.067 1.00 24.33 H new ATOM 0 HD23 LEU A 101 15.181 -24.233 -7.015 1.00 24.33 H new ATOM 1613 N ASP A 102 20.139 -25.728 -8.082 1.00 3.21 N ATOM 1614 CA ASP A 102 21.393 -26.330 -7.646 1.00 44.34 C ATOM 1615 C ASP A 102 22.215 -25.343 -6.825 1.00 34.55 C ATOM 1616 O ASP A 102 22.929 -25.729 -5.899 1.00 63.41 O ATOM 1617 CB ASP A 102 22.202 -26.808 -8.853 1.00 34.14 C ATOM 1618 CG ASP A 102 21.586 -28.022 -9.519 1.00 23.42 C ATOM 1619 OD1 ASP A 102 21.138 -28.934 -8.794 1.00 2.30 O ATOM 1620 OD2 ASP A 102 21.552 -28.060 -10.768 1.00 14.51 O1- ATOM 0 H ASP A 102 19.990 -25.748 -9.091 1.00 3.21 H new ATOM 0 HA ASP A 102 21.155 -27.187 -7.016 1.00 44.34 H new ATOM 0 HB2 ASP A 102 22.278 -25.999 -9.579 1.00 34.14 H new ATOM 0 HB3 ASP A 102 23.217 -27.048 -8.535 1.00 34.14 H new ATOM 1625 N LYS A 103 22.111 -24.064 -7.172 1.00 15.21 N ATOM 1626 CA LYS A 103 22.844 -23.017 -6.468 1.00 41.21 C ATOM 1627 C LYS A 103 22.312 -22.841 -5.050 1.00 54.02 C ATOM 1628 O LYS A 103 23.042 -23.030 -4.076 1.00 50.43 O ATOM 1629 CB LYS A 103 22.743 -21.695 -7.230 1.00 21.14 C ATOM 1630 CG LYS A 103 23.826 -21.514 -8.280 1.00 13.25 C ATOM 1631 CD LYS A 103 24.989 -20.693 -7.746 1.00 45.20 C ATOM 1632 CE LYS A 103 26.047 -21.578 -7.106 1.00 50.35 C ATOM 1633 NZ LYS A 103 25.773 -21.813 -5.661 1.00 63.55 N1+ ATOM 0 H LYS A 103 21.526 -23.727 -7.937 1.00 15.21 H new ATOM 0 HA LYS A 103 23.890 -23.316 -6.410 1.00 41.21 H new ATOM 0 HB2 LYS A 103 21.767 -21.637 -7.713 1.00 21.14 H new ATOM 0 HB3 LYS A 103 22.796 -20.870 -6.519 1.00 21.14 H new ATOM 0 HG2 LYS A 103 24.187 -22.490 -8.604 1.00 13.25 H new ATOM 0 HG3 LYS A 103 23.405 -21.023 -9.157 1.00 13.25 H new ATOM 0 HD2 LYS A 103 25.435 -20.120 -8.559 1.00 45.20 H new ATOM 0 HD3 LYS A 103 24.622 -19.974 -7.013 1.00 45.20 H new ATOM 0 HE2 LYS A 103 26.086 -22.534 -7.629 1.00 50.35 H new ATOM 0 HE3 LYS A 103 27.026 -21.113 -7.219 1.00 50.35 H new ATOM 0 HZ1 LYS A 103 26.518 -21.366 -5.089 1.00 63.55 H new ATOM 0 HZ2 LYS A 103 24.851 -21.401 -5.411 1.00 63.55 H new ATOM 0 HZ3 LYS A 103 25.758 -22.836 -5.472 1.00 63.55 H new ATOM 1647 N ILE A 104 21.039 -22.479 -4.940 1.00 61.13 N ATOM 1648 CA ILE A 104 20.410 -22.279 -3.640 1.00 63.11 C ATOM 1649 C ILE A 104 20.560 -23.517 -2.762 1.00 71.44 C ATOM 1650 O ILE A 104 20.800 -23.411 -1.560 1.00 12.34 O ATOM 1651 CB ILE A 104 18.914 -21.945 -3.784 1.00 11.23 C ATOM 1652 CG1 ILE A 104 18.730 -20.689 -4.639 1.00 64.05 C ATOM 1653 CG2 ILE A 104 18.279 -21.756 -2.414 1.00 71.45 C ATOM 1654 CD1 ILE A 104 17.297 -20.451 -5.062 1.00 70.43 C ATOM 0 H ILE A 104 20.422 -22.318 -5.736 1.00 61.13 H new ATOM 0 HA ILE A 104 20.918 -21.437 -3.169 1.00 63.11 H new ATOM 0 HB ILE A 104 18.417 -22.778 -4.282 1.00 11.23 H new ATOM 0 HG12 ILE A 104 19.084 -19.823 -4.079 1.00 64.05 H new ATOM 0 HG13 ILE A 104 19.354 -20.770 -5.529 1.00 64.05 H new ATOM 0 HG21 ILE A 104 17.221 -21.520 -2.533 1.00 71.45 H new ATOM 0 HG22 ILE A 104 18.384 -22.673 -1.835 1.00 71.45 H new ATOM 0 HG23 ILE A 104 18.776 -20.939 -1.892 1.00 71.45 H new ATOM 0 HD11 ILE A 104 17.241 -19.544 -5.665 1.00 70.43 H new ATOM 0 HD12 ILE A 104 16.945 -21.299 -5.649 1.00 70.43 H new ATOM 0 HD13 ILE A 104 16.671 -20.338 -4.177 1.00 70.43 H new ATOM 1666 N GLU A 105 20.421 -24.689 -3.372 1.00 40.21 N ATOM 1667 CA GLU A 105 20.542 -25.948 -2.644 1.00 12.21 C ATOM 1668 C GLU A 105 21.905 -26.055 -1.968 1.00 74.45 C ATOM 1669 O GLU A 105 22.034 -26.651 -0.898 1.00 1.15 O ATOM 1670 CB GLU A 105 20.335 -27.132 -3.590 1.00 71.42 C ATOM 1671 CG GLU A 105 20.437 -28.484 -2.905 1.00 13.54 C ATOM 1672 CD GLU A 105 19.115 -29.227 -2.883 1.00 53.45 C ATOM 1673 OE1 GLU A 105 18.400 -29.199 -3.906 1.00 72.41 O1- ATOM 1674 OE2 GLU A 105 18.797 -29.838 -1.841 1.00 45.31 O ATOM 0 H GLU A 105 20.225 -24.794 -4.367 1.00 40.21 H new ATOM 0 HA GLU A 105 19.771 -25.969 -1.874 1.00 12.21 H new ATOM 0 HB2 GLU A 105 19.355 -27.045 -4.058 1.00 71.42 H new ATOM 0 HB3 GLU A 105 21.075 -27.082 -4.388 1.00 71.42 H new ATOM 0 HG2 GLU A 105 21.183 -29.092 -3.418 1.00 13.54 H new ATOM 0 HG3 GLU A 105 20.788 -28.344 -1.883 1.00 13.54 H new ATOM 1681 N GLU A 106 22.920 -25.475 -2.600 1.00 72.24 N ATOM 1682 CA GLU A 106 24.275 -25.507 -2.059 1.00 24.30 C ATOM 1683 C GLU A 106 24.430 -24.505 -0.919 1.00 23.13 C ATOM 1684 O GLU A 106 24.998 -24.821 0.125 1.00 43.34 O ATOM 1685 CB GLU A 106 25.294 -25.205 -3.160 1.00 63.24 C ATOM 1686 CG GLU A 106 26.118 -26.413 -3.574 1.00 61.30 C ATOM 1687 CD GLU A 106 27.242 -26.714 -2.602 1.00 34.41 C ATOM 1688 OE1 GLU A 106 27.491 -25.881 -1.705 1.00 24.53 O1- ATOM 1689 OE2 GLU A 106 27.874 -27.783 -2.738 1.00 3.25 O ATOM 0 H GLU A 106 22.831 -24.978 -3.486 1.00 72.24 H new ATOM 0 HA GLU A 106 24.459 -26.507 -1.667 1.00 24.30 H new ATOM 0 HB2 GLU A 106 24.769 -24.817 -4.033 1.00 63.24 H new ATOM 0 HB3 GLU A 106 25.965 -24.418 -2.816 1.00 63.24 H new ATOM 0 HG2 GLU A 106 25.466 -27.283 -3.651 1.00 61.30 H new ATOM 0 HG3 GLU A 106 26.537 -26.240 -4.565 1.00 61.30 H new ATOM 1696 N GLU A 107 23.920 -23.295 -1.129 1.00 12.30 N ATOM 1697 CA GLU A 107 24.003 -22.246 -0.119 1.00 40.30 C ATOM 1698 C GLU A 107 23.343 -22.692 1.183 1.00 51.23 C ATOM 1699 O GLU A 107 23.861 -22.439 2.270 1.00 75.11 O ATOM 1700 CB GLU A 107 23.339 -20.965 -0.628 1.00 73.13 C ATOM 1701 CG GLU A 107 23.425 -19.806 0.352 1.00 61.20 C ATOM 1702 CD GLU A 107 23.701 -18.482 -0.334 1.00 4.41 C ATOM 1703 OE1 GLU A 107 24.877 -18.210 -0.650 1.00 53.21 O1- ATOM 1704 OE2 GLU A 107 22.738 -17.718 -0.556 1.00 5.24 O ATOM 0 H GLU A 107 23.446 -23.017 -1.988 1.00 12.30 H new ATOM 0 HA GLU A 107 25.057 -22.047 0.077 1.00 40.30 H new ATOM 0 HB2 GLU A 107 23.807 -20.671 -1.568 1.00 73.13 H new ATOM 0 HB3 GLU A 107 22.291 -21.170 -0.845 1.00 73.13 H new ATOM 0 HG2 GLU A 107 22.490 -19.735 0.908 1.00 61.20 H new ATOM 0 HG3 GLU A 107 24.213 -20.006 1.078 1.00 61.20 H new ATOM 1711 N GLN A 108 22.199 -23.356 1.063 1.00 30.14 N ATOM 1712 CA GLN A 108 21.467 -23.834 2.230 1.00 50.22 C ATOM 1713 C GLN A 108 22.250 -24.926 2.952 1.00 52.21 C ATOM 1714 O GLN A 108 22.256 -24.990 4.181 1.00 75.30 O ATOM 1715 CB GLN A 108 20.094 -24.365 1.816 1.00 61.23 C ATOM 1716 CG GLN A 108 19.086 -23.269 1.509 1.00 3.40 C ATOM 1717 CD GLN A 108 18.130 -23.016 2.658 1.00 45.13 C ATOM 1718 OE1 GLN A 108 16.921 -23.213 2.529 1.00 13.22 O ATOM 1719 NE2 GLN A 108 18.668 -22.580 3.791 1.00 63.02 N ATOM 0 H GLN A 108 21.758 -23.576 0.170 1.00 30.14 H new ATOM 0 HA GLN A 108 21.333 -22.995 2.912 1.00 50.22 H new ATOM 0 HB2 GLN A 108 20.209 -24.999 0.937 1.00 61.23 H new ATOM 0 HB3 GLN A 108 19.701 -24.995 2.614 1.00 61.23 H new ATOM 0 HG2 GLN A 108 19.618 -22.347 1.274 1.00 3.40 H new ATOM 0 HG3 GLN A 108 18.516 -23.543 0.621 1.00 3.40 H new ATOM 0 HE21 GLN A 108 19.675 -22.431 3.853 1.00 63.02 H new ATOM 0 HE22 GLN A 108 18.074 -22.394 4.599 1.00 63.02 H new ATOM 1728 N ASN A 109 22.909 -25.784 2.180 1.00 2.03 N ATOM 1729 CA ASN A 109 23.694 -26.874 2.747 1.00 51.13 C ATOM 1730 C ASN A 109 24.812 -26.335 3.635 1.00 62.54 C ATOM 1731 O ASN A 109 25.120 -26.908 4.680 1.00 14.43 O ATOM 1732 CB ASN A 109 24.287 -27.738 1.631 1.00 25.13 C ATOM 1733 CG ASN A 109 23.844 -29.186 1.724 1.00 72.13 C ATOM 1734 OD1 ASN A 109 22.732 -29.533 1.329 1.00 40.12 O ATOM 1735 ND2 ASN A 109 24.718 -30.038 2.249 1.00 1.41 N ATOM 0 H ASN A 109 22.915 -25.745 1.161 1.00 2.03 H new ATOM 0 HA ASN A 109 23.031 -27.486 3.358 1.00 51.13 H new ATOM 0 HB2 ASN A 109 23.991 -27.332 0.664 1.00 25.13 H new ATOM 0 HB3 ASN A 109 25.375 -27.690 1.677 1.00 25.13 H new ATOM 0 HD21 ASN A 109 24.478 -31.025 2.338 1.00 1.41 H new ATOM 0 HD22 ASN A 109 25.629 -29.705 2.563 1.00 1.41 H new ATOM 1742 N LYS A 110 25.416 -25.231 3.211 1.00 63.42 N ATOM 1743 CA LYS A 110 26.498 -24.612 3.967 1.00 71.02 C ATOM 1744 C LYS A 110 26.030 -24.218 5.364 1.00 52.32 C ATOM 1745 O LYS A 110 26.775 -24.342 6.336 1.00 33.02 O ATOM 1746 CB LYS A 110 27.024 -23.379 3.228 1.00 65.32 C ATOM 1747 CG LYS A 110 28.240 -22.748 3.886 1.00 23.22 C ATOM 1748 CD LYS A 110 28.983 -21.834 2.925 1.00 5.43 C ATOM 1749 CE LYS A 110 30.043 -22.592 2.141 1.00 43.33 C ATOM 1750 NZ LYS A 110 31.345 -21.870 2.129 1.00 65.01 N1+ ATOM 0 H LYS A 110 25.174 -24.746 2.347 1.00 63.42 H new ATOM 0 HA LYS A 110 27.302 -25.341 4.064 1.00 71.02 H new ATOM 0 HB2 LYS A 110 27.279 -23.660 2.206 1.00 65.32 H new ATOM 0 HB3 LYS A 110 26.229 -22.636 3.166 1.00 65.32 H new ATOM 0 HG2 LYS A 110 27.927 -22.179 4.762 1.00 23.22 H new ATOM 0 HG3 LYS A 110 28.912 -23.531 4.238 1.00 23.22 H new ATOM 0 HD2 LYS A 110 28.274 -21.378 2.234 1.00 5.43 H new ATOM 0 HD3 LYS A 110 29.452 -21.023 3.482 1.00 5.43 H new ATOM 0 HE2 LYS A 110 30.180 -23.581 2.578 1.00 43.33 H new ATOM 0 HE3 LYS A 110 29.701 -22.741 1.117 1.00 43.33 H new ATOM 0 HZ1 LYS A 110 32.041 -22.419 1.585 1.00 65.01 H new ATOM 0 HZ2 LYS A 110 31.220 -20.936 1.689 1.00 65.01 H new ATOM 0 HZ3 LYS A 110 31.685 -21.750 3.105 1.00 65.01 H new ATOM 1764 N SER A 111 24.792 -23.744 5.456 1.00 12.40 N ATOM 1765 CA SER A 111 24.225 -23.331 6.735 1.00 54.23 C ATOM 1766 C SER A 111 24.070 -24.524 7.672 1.00 41.01 C ATOM 1767 O SER A 111 24.152 -24.385 8.893 1.00 0.14 O ATOM 1768 CB SER A 111 22.868 -22.656 6.521 1.00 63.15 C ATOM 1769 OG SER A 111 22.393 -22.077 7.723 1.00 14.33 O ATOM 0 H SER A 111 24.162 -23.636 4.661 1.00 12.40 H new ATOM 0 HA SER A 111 24.910 -22.618 7.194 1.00 54.23 H new ATOM 0 HB2 SER A 111 22.957 -21.887 5.754 1.00 63.15 H new ATOM 0 HB3 SER A 111 22.147 -23.388 6.156 1.00 63.15 H new ATOM 0 HG SER A 111 21.526 -21.651 7.560 1.00 14.33 H new ATOM 1775 N LYS A 112 23.846 -25.699 7.093 1.00 10.14 N ATOM 1776 CA LYS A 112 23.680 -26.919 7.874 1.00 60.32 C ATOM 1777 C LYS A 112 25.033 -27.473 8.310 1.00 61.51 C ATOM 1778 O LYS A 112 25.153 -28.079 9.376 1.00 22.24 O ATOM 1779 CB LYS A 112 22.925 -27.971 7.059 1.00 44.33 C ATOM 1780 CG LYS A 112 21.541 -28.283 7.603 1.00 23.44 C ATOM 1781 CD LYS A 112 21.296 -29.780 7.679 1.00 53.23 C ATOM 1782 CE LYS A 112 21.153 -30.393 6.294 1.00 13.53 C ATOM 1783 NZ LYS A 112 21.052 -31.878 6.353 1.00 52.14 N1+ ATOM 0 H LYS A 112 23.775 -25.832 6.084 1.00 10.14 H new ATOM 0 HA LYS A 112 23.102 -26.675 8.766 1.00 60.32 H new ATOM 0 HB2 LYS A 112 22.832 -27.624 6.030 1.00 44.33 H new ATOM 0 HB3 LYS A 112 23.512 -28.889 7.034 1.00 44.33 H new ATOM 0 HG2 LYS A 112 21.432 -27.845 8.595 1.00 23.44 H new ATOM 0 HG3 LYS A 112 20.786 -27.822 6.966 1.00 23.44 H new ATOM 0 HD2 LYS A 112 22.121 -30.258 8.206 1.00 53.23 H new ATOM 0 HD3 LYS A 112 20.393 -29.973 8.258 1.00 53.23 H new ATOM 0 HE2 LYS A 112 20.266 -29.988 5.807 1.00 13.53 H new ATOM 0 HE3 LYS A 112 22.010 -30.111 5.682 1.00 13.53 H new ATOM 0 HZ1 LYS A 112 20.956 -32.258 5.390 1.00 52.14 H new ATOM 0 HZ2 LYS A 112 21.909 -32.267 6.795 1.00 52.14 H new ATOM 0 HZ3 LYS A 112 20.220 -32.147 6.916 1.00 52.14 H new ATOM 1797 N LYS A 113 26.050 -27.262 7.481 1.00 14.24 N ATOM 1798 CA LYS A 113 27.395 -27.737 7.781 1.00 42.42 C ATOM 1799 C LYS A 113 28.268 -26.603 8.306 1.00 15.23 C ATOM 1800 O LYS A 113 29.475 -26.571 8.064 1.00 63.11 O ATOM 1801 CB LYS A 113 28.032 -28.350 6.532 1.00 11.32 C ATOM 1802 CG LYS A 113 28.709 -29.686 6.788 1.00 32.44 C ATOM 1803 CD LYS A 113 30.214 -29.532 6.920 1.00 32.31 C ATOM 1804 CE LYS A 113 30.631 -29.350 8.372 1.00 33.31 C ATOM 1805 NZ LYS A 113 31.577 -30.411 8.815 1.00 42.10 N1+ ATOM 0 H LYS A 113 25.968 -26.764 6.595 1.00 14.24 H new ATOM 0 HA LYS A 113 27.319 -28.501 8.555 1.00 42.42 H new ATOM 0 HB2 LYS A 113 27.264 -28.481 5.770 1.00 11.32 H new ATOM 0 HB3 LYS A 113 28.765 -27.652 6.128 1.00 11.32 H new ATOM 0 HG2 LYS A 113 28.307 -30.130 7.698 1.00 32.44 H new ATOM 0 HG3 LYS A 113 28.483 -30.372 5.972 1.00 32.44 H new ATOM 0 HD2 LYS A 113 30.708 -30.411 6.506 1.00 32.31 H new ATOM 0 HD3 LYS A 113 30.546 -28.674 6.335 1.00 32.31 H new ATOM 0 HE2 LYS A 113 31.098 -28.373 8.496 1.00 33.31 H new ATOM 0 HE3 LYS A 113 29.746 -29.364 9.008 1.00 33.31 H new ATOM 0 HZ1 LYS A 113 31.837 -30.251 9.809 1.00 42.10 H new ATOM 0 HZ2 LYS A 113 31.123 -31.342 8.721 1.00 42.10 H new ATOM 0 HZ3 LYS A 113 32.433 -30.382 8.225 1.00 42.10 H new ATOM 1819 N LYS A 114 27.651 -25.673 9.028 1.00 74.05 N ATOM 1820 CA LYS A 114 28.373 -24.537 9.591 1.00 64.42 C ATOM 1821 C LYS A 114 27.479 -23.737 10.533 1.00 42.15 C ATOM 1822 O LYS A 114 27.540 -22.509 10.566 1.00 13.53 O ATOM 1823 CB LYS A 114 28.892 -23.631 8.472 1.00 24.40 C ATOM 1824 CG LYS A 114 30.022 -22.714 8.905 1.00 60.12 C ATOM 1825 CD LYS A 114 30.179 -21.535 7.960 1.00 4.53 C ATOM 1826 CE LYS A 114 29.414 -20.317 8.457 1.00 42.14 C ATOM 1827 NZ LYS A 114 29.800 -19.082 7.722 1.00 70.04 N1+ ATOM 0 H LYS A 114 26.653 -25.684 9.237 1.00 74.05 H new ATOM 0 HA LYS A 114 29.219 -24.922 10.160 1.00 64.42 H new ATOM 0 HB2 LYS A 114 29.236 -24.251 7.644 1.00 24.40 H new ATOM 0 HB3 LYS A 114 28.068 -23.025 8.095 1.00 24.40 H new ATOM 0 HG2 LYS A 114 29.829 -22.349 9.914 1.00 60.12 H new ATOM 0 HG3 LYS A 114 30.954 -23.277 8.943 1.00 60.12 H new ATOM 0 HD2 LYS A 114 31.235 -21.286 7.859 1.00 4.53 H new ATOM 0 HD3 LYS A 114 29.820 -21.812 6.969 1.00 4.53 H new ATOM 0 HE2 LYS A 114 28.344 -20.489 8.342 1.00 42.14 H new ATOM 0 HE3 LYS A 114 29.602 -20.180 9.522 1.00 42.14 H new ATOM 0 HZ1 LYS A 114 29.257 -18.275 8.090 1.00 70.04 H new ATOM 0 HZ2 LYS A 114 30.816 -18.904 7.852 1.00 70.04 H new ATOM 0 HZ3 LYS A 114 29.597 -19.203 6.709 1.00 70.04 H new ATOM 1841 N ALA A 115 26.652 -24.443 11.298 1.00 61.30 N ATOM 1842 CA ALA A 115 25.749 -23.799 12.243 1.00 11.24 C ATOM 1843 C ALA A 115 26.159 -24.092 13.682 1.00 32.51 C ATOM 1844 O ALA A 115 25.889 -23.303 14.586 1.00 12.43 O ATOM 1845 CB ALA A 115 24.317 -24.251 11.997 1.00 61.20 C ATOM 0 H ALA A 115 26.589 -25.461 11.281 1.00 61.30 H new ATOM 0 HA ALA A 115 25.810 -22.722 12.088 1.00 11.24 H new ATOM 0 HB1 ALA A 115 23.653 -23.762 12.710 1.00 61.20 H new ATOM 0 HB2 ALA A 115 24.020 -23.984 10.983 1.00 61.20 H new ATOM 0 HB3 ALA A 115 24.250 -25.332 12.121 1.00 61.20 H new ATOM 1851 N GLN A 116 26.813 -25.231 13.885 1.00 24.32 N ATOM 1852 CA GLN A 116 27.260 -25.629 15.215 1.00 2.05 C ATOM 1853 C GLN A 116 28.701 -26.125 15.179 1.00 54.32 C ATOM 1854 O GLN A 116 29.012 -27.192 15.709 1.00 51.11 O ATOM 1855 CB GLN A 116 26.345 -26.718 15.779 1.00 62.31 C ATOM 1856 CG GLN A 116 24.932 -26.237 16.069 1.00 63.43 C ATOM 1857 CD GLN A 116 23.939 -27.376 16.179 1.00 65.20 C ATOM 1858 OE1 GLN A 116 22.850 -27.323 15.608 1.00 25.23 O ATOM 1859 NE2 GLN A 116 24.310 -28.417 16.915 1.00 53.41 N ATOM 0 H GLN A 116 27.045 -25.894 13.146 1.00 24.32 H new ATOM 0 HA GLN A 116 27.213 -24.754 15.864 1.00 2.05 H new ATOM 0 HB2 GLN A 116 26.300 -27.545 15.071 1.00 62.31 H new ATOM 0 HB3 GLN A 116 26.783 -27.108 16.698 1.00 62.31 H new ATOM 0 HG2 GLN A 116 24.930 -25.667 16.998 1.00 63.43 H new ATOM 0 HG3 GLN A 116 24.614 -25.558 15.278 1.00 63.43 H new ATOM 0 HE21 GLN A 116 25.222 -28.420 17.371 1.00 53.41 H new ATOM 0 HE22 GLN A 116 23.683 -29.214 17.024 1.00 53.41 H new ATOM 1868 N GLN A 117 29.575 -25.345 14.553 1.00 60.13 N ATOM 1869 CA GLN A 117 30.983 -25.708 14.449 1.00 74.32 C ATOM 1870 C GLN A 117 31.877 -24.553 14.891 1.00 61.42 C ATOM 1871 O GLN A 117 32.706 -24.706 15.788 1.00 32.34 O ATOM 1872 CB GLN A 117 31.324 -26.110 13.013 1.00 11.35 C ATOM 1873 CG GLN A 117 30.408 -27.184 12.448 1.00 54.41 C ATOM 1874 CD GLN A 117 31.145 -28.469 12.124 1.00 33.13 C ATOM 1875 OE1 GLN A 117 32.188 -28.450 11.471 1.00 70.50 O ATOM 1876 NE2 GLN A 117 30.605 -29.592 12.581 1.00 45.10 N ATOM 0 H GLN A 117 29.334 -24.458 14.110 1.00 60.13 H new ATOM 0 HA GLN A 117 31.162 -26.557 15.109 1.00 74.32 H new ATOM 0 HB2 GLN A 117 31.272 -25.227 12.375 1.00 11.35 H new ATOM 0 HB3 GLN A 117 32.353 -26.467 12.979 1.00 11.35 H new ATOM 0 HG2 GLN A 117 29.616 -27.395 13.166 1.00 54.41 H new ATOM 0 HG3 GLN A 117 29.927 -26.808 11.545 1.00 54.41 H new ATOM 0 HE21 GLN A 117 29.739 -29.559 13.118 1.00 45.10 H new ATOM 0 HE22 GLN A 117 31.056 -30.488 12.395 1.00 45.10 H new ATOM 1885 N ALA A 118 31.703 -23.399 14.255 1.00 24.13 N ATOM 1886 CA ALA A 118 32.493 -22.219 14.584 1.00 4.52 C ATOM 1887 C ALA A 118 31.699 -21.253 15.458 1.00 44.24 C ATOM 1888 O ALA A 118 31.917 -20.043 15.418 1.00 2.34 O ATOM 1889 CB ALA A 118 32.956 -21.523 13.313 1.00 63.10 C ATOM 0 H ALA A 118 31.022 -23.256 13.509 1.00 24.13 H new ATOM 0 HA ALA A 118 33.368 -22.543 15.148 1.00 4.52 H new ATOM 0 HB1 ALA A 118 33.545 -20.644 13.574 1.00 63.10 H new ATOM 0 HB2 ALA A 118 33.567 -22.208 12.725 1.00 63.10 H new ATOM 0 HB3 ALA A 118 32.088 -21.218 12.728 1.00 63.10 H new ATOM 1895 N ALA A 119 30.777 -21.798 16.246 1.00 53.33 N ATOM 1896 CA ALA A 119 29.952 -20.985 17.131 1.00 11.33 C ATOM 1897 C ALA A 119 29.519 -21.777 18.360 1.00 4.12 C ATOM 1898 O ALA A 119 28.397 -21.628 18.842 1.00 2.10 O ATOM 1899 CB ALA A 119 28.735 -20.460 16.383 1.00 73.21 C ATOM 0 H ALA A 119 30.583 -22.798 16.289 1.00 53.33 H new ATOM 0 HA ALA A 119 30.550 -20.139 17.469 1.00 11.33 H new ATOM 0 HB1 ALA A 119 28.128 -19.855 17.056 1.00 73.21 H new ATOM 0 HB2 ALA A 119 29.061 -19.850 15.540 1.00 73.21 H new ATOM 0 HB3 ALA A 119 28.144 -21.299 16.016 1.00 73.21 H new ATOM 1905 N ALA A 120 30.416 -22.620 18.861 1.00 2.53 N ATOM 1906 CA ALA A 120 30.126 -23.436 20.034 1.00 32.03 C ATOM 1907 C ALA A 120 31.269 -23.371 21.043 1.00 2.12 C ATOM 1908 O ALA A 120 31.039 -23.280 22.248 1.00 53.02 O ATOM 1909 CB ALA A 120 29.862 -24.877 19.624 1.00 34.21 C ATOM 0 H ALA A 120 31.349 -22.756 18.473 1.00 2.53 H new ATOM 0 HA ALA A 120 29.231 -23.037 20.511 1.00 32.03 H new ATOM 0 HB1 ALA A 120 29.647 -25.474 20.510 1.00 34.21 H new ATOM 0 HB2 ALA A 120 29.008 -24.912 18.947 1.00 34.21 H new ATOM 0 HB3 ALA A 120 30.741 -25.279 19.120 1.00 34.21 H new ATOM 1915 N ASP A 121 32.498 -23.421 20.540 1.00 52.51 N ATOM 1916 CA ASP A 121 33.676 -23.369 21.399 1.00 5.32 C ATOM 1917 C ASP A 121 34.089 -21.925 21.666 1.00 71.12 C ATOM 1918 O ASP A 121 34.262 -21.520 22.816 1.00 21.21 O ATOM 1919 CB ASP A 121 34.834 -24.134 20.757 1.00 33.33 C ATOM 1920 CG ASP A 121 35.234 -25.357 21.557 1.00 71.13 C ATOM 1921 OD1 ASP A 121 35.216 -25.282 22.804 1.00 44.21 O1- ATOM 1922 OD2 ASP A 121 35.568 -26.389 20.938 1.00 61.54 O ATOM 0 H ASP A 121 32.704 -23.497 19.544 1.00 52.51 H new ATOM 0 HA ASP A 121 33.424 -23.838 22.350 1.00 5.32 H new ATOM 0 HB2 ASP A 121 34.550 -24.439 19.750 1.00 33.33 H new ATOM 0 HB3 ASP A 121 35.693 -23.471 20.659 1.00 33.33 H new ATOM 1927 N THR A 122 34.247 -21.152 20.596 1.00 63.24 N ATOM 1928 CA THR A 122 34.643 -19.754 20.714 1.00 53.22 C ATOM 1929 C THR A 122 36.027 -19.626 21.339 1.00 10.10 C ATOM 1930 O THR A 122 36.597 -20.606 21.816 1.00 72.22 O ATOM 1931 CB THR A 122 33.633 -18.955 21.560 1.00 71.34 C ATOM 1932 OG1 THR A 122 32.389 -19.659 21.633 1.00 52.12 O ATOM 1933 CG2 THR A 122 33.405 -17.573 20.966 1.00 33.33 C ATOM 0 H THR A 122 34.107 -21.471 19.637 1.00 63.24 H new ATOM 0 HA THR A 122 34.665 -19.344 19.704 1.00 53.22 H new ATOM 0 HB THR A 122 34.043 -18.840 22.563 1.00 71.34 H new ATOM 0 HG1 THR A 122 31.754 -19.145 22.174 1.00 52.12 H new ATOM 0 HG21 THR A 122 32.689 -17.027 21.580 1.00 33.33 H new ATOM 0 HG22 THR A 122 34.349 -17.028 20.939 1.00 33.33 H new ATOM 0 HG23 THR A 122 33.014 -17.672 19.953 1.00 33.33 H new ATOM 1941 N GLY A 123 36.563 -18.409 21.335 1.00 1.12 N ATOM 1942 CA GLY A 123 37.876 -18.174 21.905 1.00 63.42 C ATOM 1943 C GLY A 123 37.809 -17.487 23.254 1.00 4.13 C ATOM 1944 O GLY A 123 38.031 -18.113 24.289 1.00 45.04 O ATOM 0 H GLY A 123 36.110 -17.581 20.947 1.00 1.12 H new ATOM 0 HA2 GLY A 123 38.398 -19.125 22.011 1.00 63.42 H new ATOM 0 HA3 GLY A 123 38.462 -17.563 21.219 1.00 63.42 H new ATOM 1948 N ASN A 124 37.503 -16.194 23.243 1.00 55.50 N ATOM 1949 CA ASN A 124 37.408 -15.420 24.476 1.00 22.23 C ATOM 1950 C ASN A 124 36.373 -16.025 25.419 1.00 14.01 C ATOM 1951 O ASN A 124 35.649 -16.948 25.053 1.00 5.32 O ATOM 1952 CB ASN A 124 37.045 -13.967 24.164 1.00 5.55 C ATOM 1953 CG ASN A 124 37.981 -13.342 23.148 1.00 30.04 C ATOM 1954 OD1 ASN A 124 37.554 -12.911 22.077 1.00 54.14 O ATOM 1955 ND2 ASN A 124 39.265 -13.291 23.481 1.00 74.31 N ATOM 0 H ASN A 124 37.317 -15.660 22.394 1.00 55.50 H new ATOM 0 HA ASN A 124 38.380 -15.446 24.968 1.00 22.23 H new ATOM 0 HB2 ASN A 124 36.023 -13.924 23.787 1.00 5.55 H new ATOM 0 HB3 ASN A 124 37.070 -13.383 25.084 1.00 5.55 H new ATOM 0 HD21 ASN A 124 39.943 -12.882 22.838 1.00 74.31 H new ATOM 0 HD22 ASN A 124 39.574 -13.661 24.380 1.00 74.31 H new ATOM 1962 N ASN A 125 36.309 -15.494 26.637 1.00 31.44 N ATOM 1963 CA ASN A 125 35.362 -15.980 27.633 1.00 3.13 C ATOM 1964 C ASN A 125 33.927 -15.672 27.217 1.00 25.43 C ATOM 1965 O ASN A 125 33.076 -16.561 27.180 1.00 25.05 O ATOM 1966 CB ASN A 125 35.655 -15.351 28.996 1.00 55.25 C ATOM 1967 CG ASN A 125 36.428 -16.283 29.910 1.00 25.04 C ATOM 1968 OD1 ASN A 125 37.292 -17.035 29.460 1.00 22.01 O ATOM 1969 ND2 ASN A 125 36.118 -16.237 31.200 1.00 70.02 N ATOM 0 H ASN A 125 36.902 -14.728 26.957 1.00 31.44 H new ATOM 0 HA ASN A 125 35.476 -17.062 27.707 1.00 3.13 H new ATOM 0 HB2 ASN A 125 36.224 -14.432 28.854 1.00 55.25 H new ATOM 0 HB3 ASN A 125 34.716 -15.074 29.475 1.00 55.25 H new ATOM 0 HD21 ASN A 125 36.604 -16.841 31.863 1.00 70.02 H new ATOM 0 HD22 ASN A 125 35.394 -15.597 31.528 1.00 70.02 H new ATOM 1976 N SER A 126 33.666 -14.407 26.903 1.00 24.41 N ATOM 1977 CA SER A 126 32.334 -13.981 26.492 1.00 34.15 C ATOM 1978 C SER A 126 31.813 -14.850 25.351 1.00 11.32 C ATOM 1979 O SER A 126 32.359 -14.836 24.248 1.00 43.45 O ATOM 1980 CB SER A 126 32.357 -12.513 26.060 1.00 13.24 C ATOM 1981 OG SER A 126 31.313 -12.235 25.141 1.00 60.15 O ATOM 0 H SER A 126 34.360 -13.660 26.925 1.00 24.41 H new ATOM 0 HA SER A 126 31.664 -14.092 27.345 1.00 34.15 H new ATOM 0 HB2 SER A 126 32.256 -11.871 26.935 1.00 13.24 H new ATOM 0 HB3 SER A 126 33.319 -12.280 25.604 1.00 13.24 H new ATOM 0 HG SER A 126 31.348 -11.291 24.882 1.00 60.15 H new ATOM 1987 N GLN A 127 30.753 -15.602 25.627 1.00 44.33 N ATOM 1988 CA GLN A 127 30.158 -16.479 24.624 1.00 75.04 C ATOM 1989 C GLN A 127 29.435 -15.669 23.554 1.00 63.23 C ATOM 1990 O GLN A 127 28.407 -15.047 23.819 1.00 43.42 O ATOM 1991 CB GLN A 127 29.185 -17.457 25.285 1.00 4.00 C ATOM 1992 CG GLN A 127 29.743 -18.862 25.435 1.00 42.53 C ATOM 1993 CD GLN A 127 28.656 -19.911 25.569 1.00 63.41 C ATOM 1994 OE1 GLN A 127 27.511 -19.597 25.892 1.00 31.12 O ATOM 1995 NE2 GLN A 127 29.011 -21.166 25.317 1.00 51.50 N ATOM 0 H GLN A 127 30.289 -15.622 26.535 1.00 44.33 H new ATOM 0 HA GLN A 127 30.960 -17.042 24.147 1.00 75.04 H new ATOM 0 HB2 GLN A 127 28.913 -17.076 26.269 1.00 4.00 H new ATOM 0 HB3 GLN A 127 28.269 -17.500 24.695 1.00 4.00 H new ATOM 0 HG2 GLN A 127 30.364 -19.096 24.570 1.00 42.53 H new ATOM 0 HG3 GLN A 127 30.390 -18.900 26.312 1.00 42.53 H new ATOM 0 HE21 GLN A 127 29.972 -21.381 25.052 1.00 51.50 H new ATOM 0 HE22 GLN A 127 28.322 -21.915 25.388 1.00 51.50 H new ATOM 2004 N VAL A 128 29.981 -15.680 22.341 1.00 41.31 N ATOM 2005 CA VAL A 128 29.387 -14.947 21.229 1.00 3.00 C ATOM 2006 C VAL A 128 28.962 -15.893 20.112 1.00 64.13 C ATOM 2007 O VAL A 128 29.718 -16.780 19.713 1.00 70.01 O ATOM 2008 CB VAL A 128 30.366 -13.904 20.658 1.00 43.23 C ATOM 2009 CG1 VAL A 128 29.737 -13.166 19.487 1.00 65.05 C ATOM 2010 CG2 VAL A 128 30.797 -12.930 21.744 1.00 73.30 C ATOM 0 H VAL A 128 30.833 -16.188 22.104 1.00 41.31 H new ATOM 0 HA VAL A 128 28.509 -14.434 21.621 1.00 3.00 H new ATOM 0 HB VAL A 128 31.253 -14.423 20.294 1.00 43.23 H new ATOM 0 HG11 VAL A 128 30.443 -12.433 19.097 1.00 65.05 H new ATOM 0 HG12 VAL A 128 29.483 -13.878 18.702 1.00 65.05 H new ATOM 0 HG13 VAL A 128 28.833 -12.656 19.821 1.00 65.05 H new ATOM 0 HG21 VAL A 128 31.489 -12.200 21.324 1.00 73.30 H new ATOM 0 HG22 VAL A 128 29.921 -12.415 22.139 1.00 73.30 H new ATOM 0 HG23 VAL A 128 31.290 -13.476 22.548 1.00 73.30 H new ATOM 2020 N SER A 129 27.747 -15.699 19.609 1.00 43.34 N ATOM 2021 CA SER A 129 27.219 -16.538 18.540 1.00 30.23 C ATOM 2022 C SER A 129 26.845 -15.695 17.324 1.00 21.35 C ATOM 2023 O SER A 129 25.805 -15.036 17.309 1.00 61.03 O ATOM 2024 CB SER A 129 25.998 -17.317 19.030 1.00 2.13 C ATOM 2025 OG SER A 129 26.363 -18.276 20.007 1.00 51.53 O ATOM 0 H SER A 129 27.110 -14.968 19.925 1.00 43.34 H new ATOM 0 HA SER A 129 27.996 -17.243 18.247 1.00 30.23 H new ATOM 0 HB2 SER A 129 25.266 -16.626 19.449 1.00 2.13 H new ATOM 0 HB3 SER A 129 25.519 -17.816 18.188 1.00 2.13 H new ATOM 0 HG SER A 129 25.564 -18.759 20.305 1.00 51.53 H new ATOM 2031 N GLN A 130 27.700 -15.723 16.307 1.00 33.04 N ATOM 2032 CA GLN A 130 27.460 -14.961 15.087 1.00 33.20 C ATOM 2033 C GLN A 130 26.124 -15.344 14.460 1.00 53.20 C ATOM 2034 O GLN A 130 25.594 -16.425 14.717 1.00 22.40 O ATOM 2035 CB GLN A 130 28.592 -15.191 14.085 1.00 45.22 C ATOM 2036 CG GLN A 130 29.492 -13.981 13.894 1.00 3.30 C ATOM 2037 CD GLN A 130 30.628 -14.246 12.925 1.00 21.02 C ATOM 2038 OE1 GLN A 130 30.469 -14.981 11.949 1.00 52.22 O ATOM 2039 NE2 GLN A 130 31.783 -13.646 13.189 1.00 25.11 N ATOM 0 H GLN A 130 28.564 -16.265 16.303 1.00 33.04 H new ATOM 0 HA GLN A 130 27.427 -13.904 15.350 1.00 33.20 H new ATOM 0 HB2 GLN A 130 29.197 -16.034 14.420 1.00 45.22 H new ATOM 0 HB3 GLN A 130 28.163 -15.469 13.123 1.00 45.22 H new ATOM 0 HG2 GLN A 130 28.897 -13.144 13.530 1.00 3.30 H new ATOM 0 HG3 GLN A 130 29.904 -13.683 14.858 1.00 3.30 H new ATOM 0 HE21 GLN A 130 31.870 -13.045 14.009 1.00 25.11 H new ATOM 0 HE22 GLN A 130 32.583 -13.786 12.572 1.00 25.11 H new ATOM 2048 N ASN A 131 25.583 -14.452 13.636 1.00 75.33 N ATOM 2049 CA ASN A 131 24.308 -14.696 12.974 1.00 64.45 C ATOM 2050 C ASN A 131 24.134 -13.772 11.772 1.00 11.25 C ATOM 2051 O ASN A 131 23.337 -12.833 11.809 1.00 4.04 O ATOM 2052 CB ASN A 131 23.152 -14.499 13.956 1.00 31.31 C ATOM 2053 CG ASN A 131 23.351 -13.287 14.846 1.00 21.32 C ATOM 2054 OD1 ASN A 131 23.431 -13.517 16.151 1.00 54.12 O flip ATOM 2055 ND2 ASN A 131 23.431 -12.156 14.364 1.00 44.23 N flip ATOM 0 H ASN A 131 26.009 -13.553 13.411 1.00 75.33 H new ATOM 0 HA ASN A 131 24.302 -15.727 12.621 1.00 64.45 H new ATOM 0 HB2 ASN A 131 22.221 -14.389 13.400 1.00 31.31 H new ATOM 0 HB3 ASN A 131 23.050 -15.389 14.576 1.00 31.31 H new ATOM 0 HD21 ASN A 131 23.364 -12.026 13.355 1.00 44.23 H new ATOM 0 HD22 ASN A 131 23.564 -11.350 14.974 1.00 44.23 H new ATOM 2062 N TYR A 132 24.882 -14.044 10.710 1.00 24.23 N ATOM 2063 CA TYR A 132 24.811 -13.235 9.498 1.00 42.33 C ATOM 2064 C TYR A 132 23.392 -13.218 8.937 1.00 72.34 C ATOM 2065 O TYR A 132 22.638 -12.293 9.235 1.00 5.33 O ATOM 2066 CB TYR A 132 25.781 -13.773 8.445 1.00 25.43 C ATOM 2067 CG TYR A 132 26.668 -12.708 7.838 1.00 44.44 C ATOM 2068 CD1 TYR A 132 27.676 -12.109 8.583 1.00 60.02 C ATOM 2069 CD2 TYR A 132 26.497 -12.302 6.520 1.00 43.00 C ATOM 2070 CE1 TYR A 132 28.487 -11.135 8.033 1.00 1.51 C ATOM 2071 CE2 TYR A 132 27.304 -11.330 5.962 1.00 22.22 C ATOM 2072 CZ TYR A 132 28.297 -10.750 6.722 1.00 35.21 C ATOM 2073 OH TYR A 132 29.104 -9.781 6.170 1.00 53.42 O ATOM 0 H TYR A 132 25.545 -14.818 10.663 1.00 24.23 H new ATOM 0 HA TYR A 132 25.093 -12.214 9.755 1.00 42.33 H new ATOM 0 HB2 TYR A 132 26.408 -14.541 8.899 1.00 25.43 H new ATOM 0 HB3 TYR A 132 25.211 -14.255 7.651 1.00 25.43 H new ATOM 0 HD1 TYR A 132 27.828 -12.410 9.609 1.00 60.02 H new ATOM 0 HD2 TYR A 132 25.720 -12.754 5.922 1.00 43.00 H new ATOM 0 HE1 TYR A 132 29.265 -10.678 8.626 1.00 1.51 H new ATOM 0 HE2 TYR A 132 27.158 -11.026 4.936 1.00 22.22 H new ATOM 0 HH TYR A 132 28.840 -9.627 5.239 1.00 53.42 H new TER 2083 TYR A 132 HETATM 2084 N 8SP A 300 2.314 -29.410 8.972 1.00 10.51 N HETATM 2085 P 8SP A 300 -0.174 -25.963 8.357 1.00 72.34 P HETATM 2086 OG 8SP A 300 0.796 -27.202 8.080 1.00 0.41 O HETATM 2087 C1A 8SP A 300 -2.269 -21.755 5.183 1.00 62.42 C HETATM 2088 O1A 8SP A 300 -2.611 -21.700 3.976 1.00 51.01 O HETATM 2089 C1B 8SP A 300 0.826 -25.651 2.864 1.00 23.33 C HETATM 2090 O1B 8SP A 300 1.291 -26.770 3.188 1.00 13.12 O HETATM 2091 CB 8SP A 300 0.227 -28.527 7.986 1.00 52.35 C HETATM 2092 C1G 8SP A 300 -0.318 -23.255 4.730 1.00 20.41 C HETATM 2093 O1G 8SP A 300 -1.225 -22.540 5.576 1.00 12.42 O HETATM 2094 C2A 8SP A 300 -2.953 -20.967 6.229 1.00 2.42 C HETATM 2095 C2B 8SP A 300 1.528 -24.763 1.910 1.00 52.22 C HETATM 2096 CA 8SP A 300 1.299 -29.643 7.928 1.00 45.13 C HETATM 2097 C2G 8SP A 300 -0.682 -24.759 4.680 1.00 2.43 C HETATM 2098 O2G 8SP A 300 -0.375 -25.225 3.354 1.00 11.13 O HETATM 2099 O2P 8SP A 300 -1.567 -26.359 8.576 1.00 71.04 O HETATM 2100 C3A 8SP A 300 -4.374 -20.457 5.864 1.00 40.12 C HETATM 2101 C3B 8SP A 300 3.077 -24.908 1.878 1.00 42.50 C HETATM 2102 C 8SP A 300 1.978 -29.732 6.621 1.00 24.33 C HETATM 2103 O 8SP A 300 3.138 -30.191 6.520 1.00 12.13 O HETATM 2104 OXT 8SP A 300 1.336 -29.356 5.487 1.00 53.11 O HETATM 2105 C3G 8SP A 300 0.019 -25.591 5.789 1.00 11.02 C HETATM 2106 O3G 8SP A 300 -0.075 -24.975 7.099 1.00 64.32 O HETATM 2107 O3P 8SP A 300 0.366 -25.176 9.621 1.00 34.32 O HETATM 2108 C4A 8SP A 300 -4.624 -19.006 6.356 1.00 10.24 C HETATM 2109 C4B 8SP A 300 3.815 -23.589 2.236 1.00 51.23 C HETATM 2110 C5A 8SP A 300 -5.075 -18.943 7.840 1.00 13.22 C HETATM 2111 C5B 8SP A 300 3.956 -22.634 1.021 1.00 34.24 C HETATM 2112 C6A 8SP A 300 -4.554 -17.676 8.569 1.00 33.12 C HETATM 2113 C6B 8SP A 300 4.961 -21.476 1.273 1.00 51.42 C HETATM 2114 C7A 8SP A 300 -5.685 -16.902 9.301 1.00 75.55 C HETATM 2115 C7B 8SP A 300 4.646 -20.217 0.423 1.00 24.54 C HETATM 2116 C8A 8SP A 300 -5.241 -16.356 10.677 1.00 21.11 C HETATM 2117 C8B 8SP A 300 4.892 -20.431 -1.089 1.00 74.55 C HETATM 0 H38B 8SP A 300 5.938 -20.688 -1.255 1.00 74.55 H new HETATM 0 H38A 8SP A 300 -4.936 -17.185 11.316 1.00 21.11 H new HETATM 0 H28B 8SP A 300 4.258 -21.241 -1.450 1.00 74.55 H new HETATM 0 H28A 8SP A 300 -4.402 -15.673 10.544 1.00 21.11 H new HETATM 0 H27B 8SP A 300 3.606 -19.931 0.579 1.00 24.54 H new HETATM 0 H27A 8SP A 300 -6.016 -16.073 8.675 1.00 75.55 H new HETATM 0 H26B 8SP A 300 4.945 -21.210 2.330 1.00 51.42 H new HETATM 0 H26A 8SP A 300 -3.790 -17.965 9.291 1.00 33.12 H new HETATM 0 H25B 8SP A 300 4.280 -23.206 0.152 1.00 34.24 H new HETATM 0 H25A 8SP A 300 -6.164 -18.962 7.886 1.00 13.22 H new HETATM 0 H24B 8SP A 300 3.274 -23.079 3.033 1.00 51.23 H new HETATM 0 H24A 8SP A 300 -3.711 -18.423 6.234 1.00 10.24 H new HETATM 0 H23G 8SP A 300 -0.427 -26.585 5.827 1.00 11.02 H new HETATM 0 H23B 8SP A 300 3.378 -25.688 2.577 1.00 42.50 H new HETATM 0 H23A 8SP A 300 -4.506 -20.499 4.783 1.00 40.12 H new HETATM 0 H22B 8SP A 300 1.141 -24.955 0.909 1.00 52.22 H new HETATM 0 H22A 8SP A 300 -3.026 -21.577 7.129 1.00 2.42 H new HETATM 0 H21G 8SP A 300 -0.345 -22.836 3.724 1.00 20.41 H new HETATM 0 H18B 8SP A 300 4.654 -19.515 -1.630 1.00 74.55 H new HETATM 0 H18A 8SP A 300 -6.071 -15.825 11.143 1.00 21.11 H new HETATM 0 H17B 8SP A 300 5.261 -19.387 0.772 1.00 24.54 H new HETATM 0 H17A 8SP A 300 -6.542 -17.561 9.436 1.00 75.55 H new HETATM 0 H16B 8SP A 300 5.970 -21.820 1.046 1.00 51.42 H new HETATM 0 H16A 8SP A 300 -4.076 -17.016 7.846 1.00 33.12 H new HETATM 0 H15B 8SP A 300 2.979 -22.214 0.780 1.00 34.24 H new HETATM 0 H15A 8SP A 300 -4.718 -19.831 8.362 1.00 13.22 H new HETATM 0 H14B 8SP A 300 4.806 -23.825 2.624 1.00 51.23 H new HETATM 0 H14A 8SP A 300 -5.385 -18.541 5.730 1.00 10.24 H new HETATM 0 H13G 8SP A 300 1.069 -25.722 5.529 1.00 11.02 H new HETATM 0 H13B 8SP A 300 3.386 -25.233 0.885 1.00 42.50 H new HETATM 0 H13A 8SP A 300 -5.119 -21.120 6.303 1.00 40.12 H new HETATM 0 H12B 8SP A 300 1.282 -23.729 2.154 1.00 52.22 H new HETATM 0 H12A 8SP A 300 -2.330 -20.107 6.476 1.00 2.42 H new HETATM 0 H11G 8SP A 300 0.701 -23.135 5.098 1.00 20.41 H new HETATM 0 HXT 8SP A 300 1.983 -29.282 4.754 1.00 53.11 H new HETATM 0 HB3 8SP A 300 -0.399 -28.585 7.096 1.00 52.35 H new HETATM 0 HB2 8SP A 300 -0.423 -28.699 8.844 1.00 52.35 H new HETATM 0 HA 8SP A 300 0.774 -30.585 8.089 1.00 45.13 H new HETATM 0 H2G 8SP A 300 -1.744 -24.891 4.887 1.00 2.43 H new HETATM 0 H2 8SP A 300 3.097 -30.055 9.075 1.00 10.51 H new HETATM 0 H 8SP A 300 2.233 -28.604 9.591 1.00 10.51 H new