USER MOD reduce.3.24.130724 H: found=0, std=0, add=1075, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1075 hydrogens (27 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 129 SER OG : rot 180:sc= 0.00301 USER MOD Set 1.2: A 131 ASN : amide:sc= -0.0285 X(o=-0.025,f=0.39) USER MOD Set 2.1: A 65 GLN : amide:sc= -2.34 K(o=-3.9,f=-8!) USER MOD Set 2.2: A 79 TYR OH : rot 180:sc= -1.59 USER MOD Set 3.1: A 29 TYR OH : rot 30:sc= -0.0558! USER MOD Set 3.2: A 97 THR OG1 : rot -109:sc= -0.352 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= -0.643 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+ -179:sc= 0 (180deg=-0.000442) USER MOD Single : A 28 GLN :FLIP amide:sc= 0.357 F(o=-0.16,f=0.36) 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= -0.112 K(o=-0.11,f=-6.7!) USER MOD Single : A 38 SER OG : rot 80:sc= 0.309 USER MOD Single : A 47 ASN : amide:sc= -0.052 K(o=-0.052,f=-1.6!) USER MOD Single : A 53 THR OG1 : rot -57:sc= 0.207 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot -130:sc= -0.218 USER MOD Single : A 59 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=-0.073) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.0355 USER MOD Single : A 72 SER OG : rot 180:sc= 0.145 USER MOD Single : A 77 SER OG : rot 80:sc= 0.0303 USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 81 THR OG1 : rot 74:sc= 0.825 USER MOD Single : A 86 TYR OH : rot 178:sc= 0.121 USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 HIS : +bothHN:sc= -2.81! C(o=-2.8!,f=-13!) USER MOD Single : A 90 GLN : amide:sc= -0.0378 K(o=-0.038,f=-1.3!) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 GLN : amide:sc= -0.185 K(o=-0.18,f=-0.69) USER MOD Single : A 109 ASN : amide:sc= -0.0131 K(o=-0.013,f=-1) 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 113 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 K(o=0,f=-0.55) USER MOD Single : A 117 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 122 THR OG1 : rot 38:sc= 0.306 USER MOD Single : A 124 ASN : amide:sc=-0.00733 K(o=-0.0073,f=-1) USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 GLN : amide:sc= -0.109 K(o=-0.11,f=-2.2!) USER MOD Single : A 130 GLN : amide:sc= -0.187 X(o=-0.19,f=-0.013) USER MOD Single : A 132 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 2 -1.196 13.425 7.524 1.00 12.42 N ATOM 2 CA GLY A 2 -1.658 14.776 7.781 1.00 42.51 C ATOM 3 C GLY A 2 -3.152 14.841 8.028 1.00 2.14 C ATOM 4 O GLY A 2 -3.874 15.550 7.327 1.00 13.33 O ATOM 0 HA2 GLY A 2 -1.132 15.178 8.647 1.00 42.51 H new ATOM 0 HA3 GLY A 2 -1.405 15.411 6.932 1.00 42.51 H new ATOM 8 N ALA A 3 -3.619 14.098 9.026 1.00 20.44 N ATOM 9 CA ALA A 3 -5.037 14.074 9.363 1.00 1.24 C ATOM 10 C ALA A 3 -5.874 13.590 8.182 1.00 53.52 C ATOM 11 O ALA A 3 -6.932 14.146 7.891 1.00 4.42 O ATOM 12 CB ALA A 3 -5.497 15.455 9.808 1.00 33.44 C ATOM 0 H ALA A 3 -3.036 13.504 9.616 1.00 20.44 H new ATOM 0 HA ALA A 3 -5.178 13.373 10.186 1.00 1.24 H new ATOM 0 HB1 ALA A 3 -6.558 15.423 10.057 1.00 33.44 H new ATOM 0 HB2 ALA A 3 -4.928 15.763 10.685 1.00 33.44 H new ATOM 0 HB3 ALA A 3 -5.335 16.170 9.001 1.00 33.44 H new ATOM 18 N ARG A 4 -5.391 12.552 7.507 1.00 51.53 N ATOM 19 CA ARG A 4 -6.094 11.995 6.359 1.00 21.55 C ATOM 20 C ARG A 4 -5.971 10.474 6.330 1.00 35.14 C ATOM 21 O ARG A 4 -5.893 9.868 5.262 1.00 40.31 O ATOM 22 CB ARG A 4 -5.542 12.587 5.060 1.00 70.41 C ATOM 23 CG ARG A 4 -6.529 12.548 3.905 1.00 61.31 C ATOM 24 CD ARG A 4 -5.829 12.738 2.568 1.00 70.20 C ATOM 25 NE ARG A 4 -6.737 13.247 1.543 1.00 52.20 N ATOM 26 CZ ARG A 4 -6.329 13.725 0.372 1.00 63.33 C ATOM 27 NH1 ARG A 4 -5.037 13.759 0.080 1.00 0.05 N ATOM 28 NH2 ARG A 4 -7.216 14.171 -0.509 1.00 62.52 N ATOM 0 H ARG A 4 -4.516 12.080 7.736 1.00 51.53 H new ATOM 0 HA ARG A 4 -7.149 12.255 6.450 1.00 21.55 H new ATOM 0 HB2 ARG A 4 -5.246 13.621 5.239 1.00 70.41 H new ATOM 0 HB3 ARG A 4 -4.642 12.042 4.776 1.00 70.41 H new ATOM 0 HG2 ARG A 4 -7.057 11.595 3.908 1.00 61.31 H new ATOM 0 HG3 ARG A 4 -7.278 13.328 4.039 1.00 61.31 H new ATOM 0 HD2 ARG A 4 -4.996 13.430 2.690 1.00 70.20 H new ATOM 0 HD3 ARG A 4 -5.409 11.787 2.240 1.00 70.20 H new ATOM 0 HE ARG A 4 -7.738 13.235 1.737 1.00 52.20 H new ATOM 0 HH11 ARG A 4 -4.352 13.418 0.755 1.00 0.05 H new ATOM 0 HH12 ARG A 4 -4.727 14.126 -0.820 1.00 0.05 H new ATOM 0 HH21 ARG A 4 -8.211 14.147 -0.287 1.00 62.52 H new ATOM 0 HH22 ARG A 4 -6.902 14.538 -1.408 1.00 62.52 H new ATOM 42 N ALA A 5 -5.951 9.865 7.510 1.00 63.04 N ATOM 43 CA ALA A 5 -5.839 8.416 7.622 1.00 14.24 C ATOM 44 C ALA A 5 -7.027 7.721 6.967 1.00 44.14 C ATOM 45 O ALA A 5 -7.824 8.354 6.274 1.00 15.32 O ATOM 46 CB ALA A 5 -5.723 8.006 9.082 1.00 72.53 C ATOM 0 H ALA A 5 -6.011 10.353 8.404 1.00 63.04 H new ATOM 0 HA ALA A 5 -4.936 8.105 7.097 1.00 14.24 H new ATOM 0 HB1 ALA A 5 -5.640 6.921 9.150 1.00 72.53 H new ATOM 0 HB2 ALA A 5 -4.837 8.466 9.520 1.00 72.53 H new ATOM 0 HB3 ALA A 5 -6.609 8.337 9.624 1.00 72.53 H new ATOM 52 N SER A 6 -7.142 6.416 7.192 1.00 71.15 N ATOM 53 CA SER A 6 -8.232 5.634 6.620 1.00 42.30 C ATOM 54 C SER A 6 -8.225 5.725 5.097 1.00 41.34 C ATOM 55 O SER A 6 -9.175 6.214 4.488 1.00 4.33 O ATOM 56 CB SER A 6 -9.577 6.120 7.165 1.00 11.44 C ATOM 57 OG SER A 6 -9.799 5.639 8.479 1.00 43.11 O ATOM 0 H SER A 6 -6.493 5.878 7.767 1.00 71.15 H new ATOM 0 HA SER A 6 -8.087 4.592 6.905 1.00 42.30 H new ATOM 0 HB2 SER A 6 -9.601 7.210 7.165 1.00 11.44 H new ATOM 0 HB3 SER A 6 -10.381 5.783 6.511 1.00 11.44 H new ATOM 0 HG SER A 6 -10.664 5.965 8.805 1.00 43.11 H new ATOM 63 N VAL A 7 -7.144 5.248 4.488 1.00 75.13 N ATOM 64 CA VAL A 7 -7.011 5.274 3.037 1.00 23.44 C ATOM 65 C VAL A 7 -7.317 3.907 2.432 1.00 74.15 C ATOM 66 O VAL A 7 -8.099 3.794 1.487 1.00 53.23 O ATOM 67 CB VAL A 7 -5.596 5.707 2.609 1.00 23.32 C ATOM 68 CG1 VAL A 7 -5.575 6.084 1.136 1.00 34.34 C ATOM 69 CG2 VAL A 7 -5.110 6.862 3.470 1.00 45.22 C ATOM 0 H VAL A 7 -6.348 4.839 4.977 1.00 75.13 H new ATOM 0 HA VAL A 7 -7.733 6.002 2.667 1.00 23.44 H new ATOM 0 HB VAL A 7 -4.918 4.866 2.753 1.00 23.32 H new ATOM 0 HG11 VAL A 7 -4.567 6.387 0.852 1.00 34.34 H new ATOM 0 HG12 VAL A 7 -5.878 5.226 0.536 1.00 34.34 H new ATOM 0 HG13 VAL A 7 -6.265 6.910 0.962 1.00 34.34 H new ATOM 0 HG21 VAL A 7 -4.109 7.155 3.154 1.00 45.22 H new ATOM 0 HG22 VAL A 7 -5.788 7.708 3.360 1.00 45.22 H new ATOM 0 HG23 VAL A 7 -5.084 6.552 4.515 1.00 45.22 H new ATOM 79 N LEU A 8 -6.695 2.871 2.985 1.00 32.03 N ATOM 80 CA LEU A 8 -6.900 1.510 2.501 1.00 51.11 C ATOM 81 C LEU A 8 -8.248 0.965 2.963 1.00 4.14 C ATOM 82 O LEU A 8 -8.731 1.307 4.042 1.00 42.31 O ATOM 83 CB LEU A 8 -5.774 0.598 2.993 1.00 51.30 C ATOM 84 CG LEU A 8 -5.195 0.929 4.369 1.00 34.21 C ATOM 85 CD1 LEU A 8 -4.916 -0.345 5.151 1.00 52.11 C ATOM 86 CD2 LEU A 8 -3.928 1.760 4.229 1.00 34.45 C ATOM 0 H LEU A 8 -6.045 2.947 3.768 1.00 32.03 H new ATOM 0 HA LEU A 8 -6.892 1.533 1.411 1.00 51.11 H new ATOM 0 HB2 LEU A 8 -6.146 -0.426 3.014 1.00 51.30 H new ATOM 0 HB3 LEU A 8 -4.965 0.628 2.264 1.00 51.30 H new ATOM 0 HG LEU A 8 -5.930 1.515 4.920 1.00 34.21 H new ATOM 0 HD11 LEU A 8 -4.504 -0.090 6.127 1.00 52.11 H new ATOM 0 HD12 LEU A 8 -5.844 -0.902 5.283 1.00 52.11 H new ATOM 0 HD13 LEU A 8 -4.199 -0.958 4.604 1.00 52.11 H new ATOM 0 HD21 LEU A 8 -3.530 1.986 5.218 1.00 34.45 H new ATOM 0 HD22 LEU A 8 -3.187 1.200 3.659 1.00 34.45 H new ATOM 0 HD23 LEU A 8 -4.158 2.690 3.709 1.00 34.45 H new ATOM 98 N SER A 9 -8.851 0.115 2.138 1.00 51.41 N ATOM 99 CA SER A 9 -10.144 -0.476 2.459 1.00 43.45 C ATOM 100 C SER A 9 -9.975 -1.704 3.349 1.00 1.51 C ATOM 101 O SER A 9 -8.907 -1.930 3.916 1.00 31.45 O ATOM 102 CB SER A 9 -10.887 -0.859 1.179 1.00 21.25 C ATOM 103 OG SER A 9 -10.421 -2.096 0.669 1.00 73.32 O ATOM 0 H SER A 9 -8.464 -0.180 1.241 1.00 51.41 H new ATOM 0 HA SER A 9 -10.729 0.267 3.001 1.00 43.45 H new ATOM 0 HB2 SER A 9 -11.956 -0.925 1.381 1.00 21.25 H new ATOM 0 HB3 SER A 9 -10.752 -0.079 0.429 1.00 21.25 H new ATOM 0 HG SER A 9 -10.913 -2.319 -0.149 1.00 73.32 H new ATOM 109 N GLY A 10 -11.039 -2.493 3.467 1.00 52.44 N ATOM 110 CA GLY A 10 -10.988 -3.687 4.289 1.00 62.51 C ATOM 111 C GLY A 10 -10.613 -4.923 3.494 1.00 51.13 C ATOM 112 O GLY A 10 -9.761 -5.705 3.914 1.00 40.22 O ATOM 0 H GLY A 10 -11.935 -2.326 3.008 1.00 52.44 H new ATOM 0 HA2 GLY A 10 -10.265 -3.541 5.091 1.00 62.51 H new ATOM 0 HA3 GLY A 10 -11.959 -3.842 4.760 1.00 62.51 H new ATOM 116 N GLY A 11 -11.252 -5.099 2.342 1.00 70.51 N ATOM 117 CA GLY A 11 -10.969 -6.251 1.506 1.00 32.45 C ATOM 118 C GLY A 11 -9.585 -6.193 0.888 1.00 65.34 C ATOM 119 O GLY A 11 -8.983 -7.227 0.603 1.00 31.21 O ATOM 0 H GLY A 11 -11.960 -4.465 1.973 1.00 70.51 H new ATOM 0 HA2 GLY A 11 -11.060 -7.159 2.102 1.00 32.45 H new ATOM 0 HA3 GLY A 11 -11.715 -6.313 0.714 1.00 32.45 H new ATOM 123 N GLU A 12 -9.082 -4.980 0.681 1.00 64.33 N ATOM 124 CA GLU A 12 -7.762 -4.793 0.091 1.00 54.34 C ATOM 125 C GLU A 12 -6.667 -4.973 1.139 1.00 10.31 C ATOM 126 O GLU A 12 -5.648 -5.615 0.884 1.00 61.44 O ATOM 127 CB GLU A 12 -7.654 -3.404 -0.542 1.00 44.34 C ATOM 128 CG GLU A 12 -7.226 -3.431 -1.999 1.00 61.20 C ATOM 129 CD GLU A 12 -8.370 -3.760 -2.938 1.00 62.12 C ATOM 130 OE1 GLU A 12 -9.157 -4.675 -2.616 1.00 73.41 O ATOM 131 OE2 GLU A 12 -8.480 -3.103 -3.994 1.00 2.20 O ATOM 0 H GLU A 12 -9.568 -4.114 0.913 1.00 64.33 H new ATOM 0 HA GLU A 12 -7.628 -5.549 -0.683 1.00 54.34 H new ATOM 0 HB2 GLU A 12 -8.619 -2.903 -0.465 1.00 44.34 H new ATOM 0 HB3 GLU A 12 -6.939 -2.809 0.027 1.00 44.34 H new ATOM 0 HG2 GLU A 12 -6.807 -2.461 -2.269 1.00 61.20 H new ATOM 0 HG3 GLU A 12 -6.433 -4.168 -2.127 1.00 61.20 H new ATOM 138 N LEU A 13 -6.885 -4.400 2.318 1.00 13.24 N ATOM 139 CA LEU A 13 -5.917 -4.495 3.405 1.00 21.20 C ATOM 140 C LEU A 13 -5.476 -5.940 3.615 1.00 55.15 C ATOM 141 O LEU A 13 -4.287 -6.219 3.777 1.00 42.11 O ATOM 142 CB LEU A 13 -6.517 -3.939 4.698 1.00 61.45 C ATOM 143 CG LEU A 13 -5.517 -3.516 5.774 1.00 61.41 C ATOM 144 CD1 LEU A 13 -6.205 -2.681 6.843 1.00 71.34 C ATOM 145 CD2 LEU A 13 -4.853 -4.736 6.394 1.00 75.41 C ATOM 0 H LEU A 13 -7.723 -3.865 2.545 1.00 13.24 H new ATOM 0 HA LEU A 13 -5.043 -3.903 3.134 1.00 21.20 H new ATOM 0 HB2 LEU A 13 -7.136 -3.078 4.447 1.00 61.45 H new ATOM 0 HB3 LEU A 13 -7.179 -4.694 5.122 1.00 61.45 H new ATOM 0 HG LEU A 13 -4.745 -2.906 5.306 1.00 61.41 H new ATOM 0 HD11 LEU A 13 -5.478 -2.389 7.601 1.00 71.34 H new ATOM 0 HD12 LEU A 13 -6.633 -1.788 6.388 1.00 71.34 H new ATOM 0 HD13 LEU A 13 -6.998 -3.267 7.308 1.00 71.34 H new ATOM 0 HD21 LEU A 13 -4.144 -4.416 7.158 1.00 75.41 H new ATOM 0 HD22 LEU A 13 -5.613 -5.372 6.848 1.00 75.41 H new ATOM 0 HD23 LEU A 13 -4.326 -5.295 5.621 1.00 75.41 H new ATOM 157 N ASP A 14 -6.439 -6.854 3.611 1.00 70.41 N ATOM 158 CA ASP A 14 -6.149 -8.271 3.798 1.00 25.43 C ATOM 159 C ASP A 14 -5.234 -8.789 2.693 1.00 61.12 C ATOM 160 O ASP A 14 -4.304 -9.555 2.949 1.00 42.52 O ATOM 161 CB ASP A 14 -7.447 -9.080 3.823 1.00 3.52 C ATOM 162 CG ASP A 14 -7.780 -9.597 5.209 1.00 41.32 C ATOM 163 OD1 ASP A 14 -8.195 -8.785 6.062 1.00 14.45 O ATOM 164 OD2 ASP A 14 -7.626 -10.814 5.441 1.00 64.51 O ATOM 0 H ASP A 14 -7.428 -6.640 3.480 1.00 70.41 H new ATOM 0 HA ASP A 14 -5.638 -8.389 4.753 1.00 25.43 H new ATOM 0 HB2 ASP A 14 -8.267 -8.458 3.464 1.00 3.52 H new ATOM 0 HB3 ASP A 14 -7.361 -9.921 3.135 1.00 3.52 H new ATOM 169 N LYS A 15 -5.505 -8.368 1.462 1.00 32.14 N ATOM 170 CA LYS A 15 -4.706 -8.788 0.317 1.00 34.25 C ATOM 171 C LYS A 15 -3.319 -8.155 0.358 1.00 44.23 C ATOM 172 O LYS A 15 -2.338 -8.759 -0.075 1.00 32.24 O ATOM 173 CB LYS A 15 -5.412 -8.412 -0.988 1.00 34.10 C ATOM 174 CG LYS A 15 -5.897 -9.610 -1.786 1.00 42.34 C ATOM 175 CD LYS A 15 -7.377 -9.869 -1.557 1.00 53.20 C ATOM 176 CE LYS A 15 -7.954 -10.782 -2.628 1.00 23.23 C ATOM 177 NZ LYS A 15 -9.371 -10.445 -2.939 1.00 53.40 N ATOM 0 H LYS A 15 -6.272 -7.736 1.232 1.00 32.14 H new ATOM 0 HA LYS A 15 -4.592 -9.871 0.363 1.00 34.25 H new ATOM 0 HB2 LYS A 15 -6.263 -7.771 -0.759 1.00 34.10 H new ATOM 0 HB3 LYS A 15 -4.729 -7.828 -1.605 1.00 34.10 H new ATOM 0 HG2 LYS A 15 -5.716 -9.439 -2.847 1.00 42.34 H new ATOM 0 HG3 LYS A 15 -5.324 -10.493 -1.503 1.00 42.34 H new ATOM 0 HD2 LYS A 15 -7.521 -10.321 -0.576 1.00 53.20 H new ATOM 0 HD3 LYS A 15 -7.917 -8.922 -1.554 1.00 53.20 H new ATOM 0 HE2 LYS A 15 -7.354 -10.703 -3.535 1.00 23.23 H new ATOM 0 HE3 LYS A 15 -7.892 -11.818 -2.294 1.00 23.23 H new ATOM 0 HZ1 LYS A 15 -9.728 -11.089 -3.673 1.00 53.40 H new ATOM 0 HZ2 LYS A 15 -9.948 -10.545 -2.080 1.00 53.40 H new ATOM 0 HZ3 LYS A 15 -9.428 -9.465 -3.282 1.00 53.40 H new ATOM 191 N TRP A 16 -3.246 -6.937 0.883 1.00 32.22 N ATOM 192 CA TRP A 16 -1.977 -6.224 0.982 1.00 44.33 C ATOM 193 C TRP A 16 -0.991 -6.985 1.862 1.00 5.51 C ATOM 194 O TRP A 16 0.159 -7.195 1.480 1.00 31.42 O ATOM 195 CB TRP A 16 -2.202 -4.819 1.545 1.00 65.12 C ATOM 196 CG TRP A 16 -0.932 -4.127 1.939 1.00 44.01 C ATOM 197 CD1 TRP A 16 -0.479 -3.908 3.209 1.00 73.04 C ATOM 198 CD2 TRP A 16 0.045 -3.563 1.059 1.00 50.51 C ATOM 199 NE1 TRP A 16 0.722 -3.241 3.170 1.00 4.01 N ATOM 200 CE2 TRP A 16 1.066 -3.019 1.863 1.00 42.42 C ATOM 201 CE3 TRP A 16 0.159 -3.466 -0.330 1.00 5.32 C ATOM 202 CZ2 TRP A 16 2.182 -2.387 1.323 1.00 3.24 C ATOM 203 CZ3 TRP A 16 1.268 -2.838 -0.866 1.00 62.52 C ATOM 204 CH2 TRP A 16 2.268 -2.306 -0.041 1.00 41.32 C ATOM 0 H TRP A 16 -4.049 -6.423 1.246 1.00 32.22 H new ATOM 0 HA TRP A 16 -1.554 -6.145 -0.020 1.00 44.33 H new ATOM 0 HB2 TRP A 16 -2.720 -4.215 0.800 1.00 65.12 H new ATOM 0 HB3 TRP A 16 -2.857 -4.884 2.414 1.00 65.12 H new ATOM 0 HD1 TRP A 16 -0.989 -4.214 4.110 1.00 73.04 H new ATOM 0 HE1 TRP A 16 1.269 -2.957 3.983 1.00 4.01 H new ATOM 0 HE3 TRP A 16 -0.606 -3.874 -0.974 1.00 5.32 H new ATOM 0 HZ2 TRP A 16 2.953 -1.975 1.957 1.00 3.24 H new ATOM 0 HZ3 TRP A 16 1.365 -2.756 -1.938 1.00 62.52 H new ATOM 0 HH2 TRP A 16 3.123 -1.823 -0.490 1.00 41.32 H new ATOM 215 N GLU A 17 -1.451 -7.395 3.040 1.00 12.23 N ATOM 216 CA GLU A 17 -0.607 -8.133 3.973 1.00 71.11 C ATOM 217 C GLU A 17 -0.461 -9.589 3.540 1.00 3.31 C ATOM 218 O GLU A 17 0.395 -10.316 4.044 1.00 74.02 O ATOM 219 CB GLU A 17 -1.189 -8.065 5.386 1.00 24.35 C ATOM 220 CG GLU A 17 -1.103 -6.685 6.015 1.00 11.25 C ATOM 221 CD GLU A 17 -1.432 -6.697 7.495 1.00 44.50 C ATOM 222 OE1 GLU A 17 -0.661 -7.302 8.269 1.00 21.42 O ATOM 223 OE2 GLU A 17 -2.459 -6.100 7.880 1.00 1.33 O ATOM 0 H GLU A 17 -2.402 -7.229 3.371 1.00 12.23 H new ATOM 0 HA GLU A 17 0.380 -7.671 3.973 1.00 71.11 H new ATOM 0 HB2 GLU A 17 -2.233 -8.376 5.355 1.00 24.35 H new ATOM 0 HB3 GLU A 17 -0.663 -8.778 6.021 1.00 24.35 H new ATOM 0 HG2 GLU A 17 -0.098 -6.287 5.873 1.00 11.25 H new ATOM 0 HG3 GLU A 17 -1.788 -6.012 5.500 1.00 11.25 H new ATOM 230 N LYS A 18 -1.305 -10.008 2.602 1.00 74.15 N ATOM 231 CA LYS A 18 -1.271 -11.377 2.100 1.00 10.05 C ATOM 232 C LYS A 18 0.049 -11.664 1.391 1.00 0.14 C ATOM 233 O LYS A 18 0.885 -12.412 1.897 1.00 54.35 O ATOM 234 CB LYS A 18 -2.440 -11.619 1.142 1.00 44.44 C ATOM 235 CG LYS A 18 -2.603 -13.072 0.736 1.00 70.53 C ATOM 236 CD LYS A 18 -3.447 -13.841 1.738 1.00 70.13 C ATOM 237 CE LYS A 18 -4.213 -14.973 1.071 1.00 34.23 C ATOM 238 NZ LYS A 18 -5.684 -14.742 1.103 1.00 64.14 N ATOM 0 H LYS A 18 -2.020 -9.420 2.175 1.00 74.15 H new ATOM 0 HA LYS A 18 -1.360 -12.052 2.951 1.00 10.05 H new ATOM 0 HB2 LYS A 18 -3.361 -11.277 1.613 1.00 44.44 H new ATOM 0 HB3 LYS A 18 -2.296 -11.014 0.247 1.00 44.44 H new ATOM 0 HG2 LYS A 18 -3.067 -13.125 -0.249 1.00 70.53 H new ATOM 0 HG3 LYS A 18 -1.622 -13.539 0.651 1.00 70.53 H new ATOM 0 HD2 LYS A 18 -2.805 -14.246 2.520 1.00 70.13 H new ATOM 0 HD3 LYS A 18 -4.149 -13.161 2.222 1.00 70.13 H new ATOM 0 HE2 LYS A 18 -3.884 -15.074 0.037 1.00 34.23 H new ATOM 0 HE3 LYS A 18 -3.982 -15.913 1.573 1.00 34.23 H new ATOM 0 HZ1 LYS A 18 -6.170 -15.535 0.639 1.00 64.14 H new ATOM 0 HZ2 LYS A 18 -6.003 -14.671 2.090 1.00 64.14 H new ATOM 0 HZ3 LYS A 18 -5.908 -13.858 0.602 1.00 64.14 H new ATOM 252 N ILE A 19 0.228 -11.065 0.219 1.00 42.50 N ATOM 253 CA ILE A 19 1.448 -11.255 -0.557 1.00 3.41 C ATOM 254 C ILE A 19 2.676 -11.269 0.345 1.00 60.15 C ATOM 255 O ILE A 19 2.736 -10.549 1.342 1.00 73.34 O ATOM 256 CB ILE A 19 1.617 -10.151 -1.618 1.00 64.53 C ATOM 257 CG1 ILE A 19 0.429 -10.154 -2.583 1.00 73.04 C ATOM 258 CG2 ILE A 19 2.922 -10.342 -2.376 1.00 12.30 C ATOM 259 CD1 ILE A 19 0.089 -8.784 -3.127 1.00 63.52 C ATOM 0 H ILE A 19 -0.456 -10.444 -0.214 1.00 42.50 H new ATOM 0 HA ILE A 19 1.357 -12.219 -1.058 1.00 3.41 H new ATOM 0 HB ILE A 19 1.649 -9.185 -1.114 1.00 64.53 H new ATOM 0 HG12 ILE A 19 0.649 -10.822 -3.416 1.00 73.04 H new ATOM 0 HG13 ILE A 19 -0.444 -10.560 -2.071 1.00 73.04 H new ATOM 0 HG21 ILE A 19 3.028 -9.555 -3.122 1.00 12.30 H new ATOM 0 HG22 ILE A 19 3.758 -10.295 -1.678 1.00 12.30 H new ATOM 0 HG23 ILE A 19 2.916 -11.313 -2.871 1.00 12.30 H new ATOM 0 HD11 ILE A 19 -0.762 -8.862 -3.804 1.00 63.52 H new ATOM 0 HD12 ILE A 19 -0.163 -8.117 -2.302 1.00 63.52 H new ATOM 0 HD13 ILE A 19 0.947 -8.384 -3.668 1.00 63.52 H new ATOM 271 N ARG A 20 3.656 -12.093 -0.012 1.00 15.11 N ATOM 272 CA ARG A 20 4.885 -12.202 0.765 1.00 14.11 C ATOM 273 C ARG A 20 5.882 -11.119 0.360 1.00 45.55 C ATOM 274 O ARG A 20 5.549 -10.205 -0.395 1.00 31.15 O ATOM 275 CB ARG A 20 5.513 -13.583 0.576 1.00 63.14 C ATOM 276 CG ARG A 20 4.583 -14.730 0.939 1.00 60.12 C ATOM 277 CD ARG A 20 4.373 -15.671 -0.236 1.00 73.55 C ATOM 278 NE ARG A 20 3.837 -16.963 0.186 1.00 53.43 N ATOM 279 CZ ARG A 20 2.556 -17.168 0.475 1.00 14.41 C ATOM 280 NH1 ARG A 20 1.686 -16.172 0.386 1.00 73.12 N ATOM 281 NH2 ARG A 20 2.144 -18.372 0.852 1.00 14.55 N ATOM 0 H ARG A 20 3.623 -12.695 -0.835 1.00 15.11 H new ATOM 0 HA ARG A 20 4.633 -12.066 1.817 1.00 14.11 H new ATOM 0 HB2 ARG A 20 5.823 -13.693 -0.463 1.00 63.14 H new ATOM 0 HB3 ARG A 20 6.414 -13.650 1.186 1.00 63.14 H new ATOM 0 HG2 ARG A 20 4.999 -15.284 1.780 1.00 60.12 H new ATOM 0 HG3 ARG A 20 3.622 -14.331 1.264 1.00 60.12 H new ATOM 0 HD2 ARG A 20 3.690 -15.211 -0.951 1.00 73.55 H new ATOM 0 HD3 ARG A 20 5.321 -15.823 -0.753 1.00 73.55 H new ATOM 0 HE ARG A 20 4.481 -17.750 0.263 1.00 53.43 H new ATOM 0 HH11 ARG A 20 1.999 -15.246 0.095 1.00 73.12 H new ATOM 0 HH12 ARG A 20 0.703 -16.332 0.608 1.00 73.12 H new ATOM 0 HH21 ARG A 20 2.811 -19.141 0.920 1.00 14.55 H new ATOM 0 HH22 ARG A 20 1.161 -18.528 1.074 1.00 14.55 H new ATOM 295 N LEU A 21 7.104 -11.227 0.868 1.00 64.43 N ATOM 296 CA LEU A 21 8.149 -10.257 0.561 1.00 73.43 C ATOM 297 C LEU A 21 9.212 -10.872 -0.345 1.00 60.21 C ATOM 298 O LEU A 21 9.577 -10.296 -1.370 1.00 52.23 O ATOM 299 CB LEU A 21 8.795 -9.748 1.850 1.00 44.42 C ATOM 300 CG LEU A 21 7.838 -9.193 2.906 1.00 42.04 C ATOM 301 CD1 LEU A 21 8.614 -8.593 4.068 1.00 51.23 C ATOM 302 CD2 LEU A 21 6.908 -8.157 2.292 1.00 42.10 C ATOM 0 H LEU A 21 7.396 -11.977 1.495 1.00 64.43 H new ATOM 0 HA LEU A 21 7.690 -9.419 0.037 1.00 73.43 H new ATOM 0 HB2 LEU A 21 9.362 -10.565 2.296 1.00 44.42 H new ATOM 0 HB3 LEU A 21 9.510 -8.968 1.591 1.00 44.42 H new ATOM 0 HG LEU A 21 7.232 -10.015 3.287 1.00 42.04 H new ATOM 0 HD11 LEU A 21 7.916 -8.203 4.809 1.00 51.23 H new ATOM 0 HD12 LEU A 21 9.237 -9.362 4.525 1.00 51.23 H new ATOM 0 HD13 LEU A 21 9.246 -7.783 3.704 1.00 51.23 H new ATOM 0 HD21 LEU A 21 6.234 -7.773 3.058 1.00 42.10 H new ATOM 0 HD22 LEU A 21 7.497 -7.336 1.883 1.00 42.10 H new ATOM 0 HD23 LEU A 21 6.325 -8.618 1.495 1.00 42.10 H new ATOM 314 N ARG A 22 9.703 -12.045 0.039 1.00 72.11 N ATOM 315 CA ARG A 22 10.723 -12.738 -0.739 1.00 61.13 C ATOM 316 C ARG A 22 10.130 -13.943 -1.461 1.00 73.42 C ATOM 317 O ARG A 22 9.011 -14.375 -1.185 1.00 62.25 O ATOM 318 CB ARG A 22 11.870 -13.188 0.169 1.00 42.24 C ATOM 319 CG ARG A 22 13.095 -12.292 0.092 1.00 31.42 C ATOM 320 CD ARG A 22 13.842 -12.254 1.415 1.00 74.33 C ATOM 321 NE ARG A 22 14.639 -11.039 1.559 1.00 45.12 N ATOM 322 CZ ARG A 22 15.780 -10.827 0.915 1.00 14.04 C ATOM 323 NH1 ARG A 22 16.257 -11.745 0.085 1.00 72.14 N ATOM 324 NH2 ARG A 22 16.448 -9.695 1.099 1.00 24.43 N ATOM 0 H ARG A 22 9.411 -12.536 0.884 1.00 72.11 H new ATOM 0 HA ARG A 22 11.110 -12.043 -1.484 1.00 61.13 H new ATOM 0 HB2 ARG A 22 11.516 -13.218 1.200 1.00 42.24 H new ATOM 0 HB3 ARG A 22 12.157 -14.205 -0.099 1.00 42.24 H new ATOM 0 HG2 ARG A 22 13.761 -12.651 -0.693 1.00 31.42 H new ATOM 0 HG3 ARG A 22 12.792 -11.282 -0.185 1.00 31.42 H new ATOM 0 HD2 ARG A 22 13.128 -12.319 2.236 1.00 74.33 H new ATOM 0 HD3 ARG A 22 14.493 -13.125 1.489 1.00 74.33 H new ATOM 0 HE ARG A 22 14.300 -10.313 2.190 1.00 45.12 H new ATOM 0 HH11 ARG A 22 15.747 -12.616 -0.060 1.00 72.14 H new ATOM 0 HH12 ARG A 22 17.134 -11.580 -0.409 1.00 72.14 H new ATOM 0 HH21 ARG A 22 16.085 -8.986 1.736 1.00 24.43 H new ATOM 0 HH22 ARG A 22 17.325 -9.534 0.603 1.00 24.43 H new ATOM 338 N PRO A 23 10.897 -14.501 -2.411 1.00 25.11 N ATOM 339 CA PRO A 23 10.468 -15.664 -3.194 1.00 45.24 C ATOM 340 C PRO A 23 10.409 -16.937 -2.356 1.00 53.45 C ATOM 341 O PRO A 23 9.388 -17.621 -2.319 1.00 31.14 O ATOM 342 CB PRO A 23 11.546 -15.783 -4.273 1.00 11.41 C ATOM 343 CG PRO A 23 12.752 -15.144 -3.675 1.00 54.33 C ATOM 344 CD PRO A 23 12.241 -14.038 -2.793 1.00 62.10 C ATOM 0 HA PRO A 23 9.461 -15.539 -3.591 1.00 45.24 H new ATOM 0 HB2 PRO A 23 11.736 -16.825 -4.530 1.00 11.41 H new ATOM 0 HB3 PRO A 23 11.245 -15.279 -5.191 1.00 11.41 H new ATOM 0 HG2 PRO A 23 13.331 -15.866 -3.099 1.00 54.33 H new ATOM 0 HG3 PRO A 23 13.411 -14.752 -4.450 1.00 54.33 H new ATOM 0 HD2 PRO A 23 12.879 -13.892 -1.921 1.00 62.10 H new ATOM 0 HD3 PRO A 23 12.203 -13.086 -3.323 1.00 62.10 H new ATOM 352 N GLY A 24 11.513 -17.248 -1.683 1.00 53.42 N ATOM 353 CA GLY A 24 11.567 -18.438 -0.853 1.00 22.33 C ATOM 354 C GLY A 24 11.246 -18.148 0.599 1.00 12.21 C ATOM 355 O GLY A 24 10.847 -19.041 1.345 1.00 23.32 O ATOM 0 H GLY A 24 12.371 -16.697 -1.698 1.00 53.42 H new ATOM 0 HA2 GLY A 24 10.863 -19.177 -1.237 1.00 22.33 H new ATOM 0 HA3 GLY A 24 12.561 -18.879 -0.921 1.00 22.33 H new ATOM 359 N GLY A 25 11.423 -16.893 1.003 1.00 60.12 N ATOM 360 CA GLY A 25 11.147 -16.511 2.376 1.00 43.23 C ATOM 361 C GLY A 25 9.709 -16.778 2.774 1.00 72.21 C ATOM 362 O GLY A 25 8.956 -17.404 2.028 1.00 44.25 O ATOM 0 H GLY A 25 11.752 -16.135 0.405 1.00 60.12 H new ATOM 0 HA2 GLY A 25 11.813 -17.058 3.043 1.00 43.23 H new ATOM 0 HA3 GLY A 25 11.366 -15.451 2.506 1.00 43.23 H new ATOM 366 N LYS A 26 9.326 -16.305 3.956 1.00 32.14 N ATOM 367 CA LYS A 26 7.969 -16.497 4.454 1.00 12.30 C ATOM 368 C LYS A 26 7.429 -15.209 5.069 1.00 33.32 C ATOM 369 O LYS A 26 6.470 -15.233 5.841 1.00 41.41 O ATOM 370 CB LYS A 26 7.939 -17.622 5.491 1.00 32.01 C ATOM 371 CG LYS A 26 6.566 -18.247 5.669 1.00 41.20 C ATOM 372 CD LYS A 26 6.256 -19.239 4.560 1.00 70.45 C ATOM 373 CE LYS A 26 4.765 -19.302 4.270 1.00 41.41 C ATOM 374 NZ LYS A 26 4.449 -20.286 3.197 1.00 54.24 N ATOM 0 H LYS A 26 9.937 -15.786 4.587 1.00 32.14 H new ATOM 0 HA LYS A 26 7.334 -16.771 3.612 1.00 12.30 H new ATOM 0 HB2 LYS A 26 8.646 -18.397 5.195 1.00 32.01 H new ATOM 0 HB3 LYS A 26 8.278 -17.230 6.450 1.00 32.01 H new ATOM 0 HG2 LYS A 26 6.518 -18.752 6.634 1.00 41.20 H new ATOM 0 HG3 LYS A 26 5.808 -17.464 5.680 1.00 41.20 H new ATOM 0 HD2 LYS A 26 6.792 -18.954 3.655 1.00 70.45 H new ATOM 0 HD3 LYS A 26 6.615 -20.228 4.844 1.00 70.45 H new ATOM 0 HE2 LYS A 26 4.229 -19.573 5.180 1.00 41.41 H new ATOM 0 HE3 LYS A 26 4.411 -18.315 3.973 1.00 41.41 H new ATOM 0 HZ1 LYS A 26 3.423 -20.299 3.029 1.00 54.24 H new ATOM 0 HZ2 LYS A 26 4.940 -20.014 2.321 1.00 54.24 H new ATOM 0 HZ3 LYS A 26 4.764 -21.233 3.491 1.00 54.24 H new ATOM 388 N LYS A 27 8.050 -14.088 4.722 1.00 13.52 N ATOM 389 CA LYS A 27 7.630 -12.790 5.237 1.00 40.25 C ATOM 390 C LYS A 27 6.515 -12.198 4.380 1.00 71.45 C ATOM 391 O LYS A 27 6.443 -12.453 3.179 1.00 61.33 O ATOM 392 CB LYS A 27 8.819 -11.827 5.282 1.00 3.21 C ATOM 393 CG LYS A 27 9.941 -12.288 6.195 1.00 14.14 C ATOM 394 CD LYS A 27 10.984 -13.091 5.435 1.00 65.15 C ATOM 395 CE LYS A 27 12.394 -12.740 5.884 1.00 22.45 C ATOM 396 NZ LYS A 27 12.835 -11.424 5.343 1.00 72.04 N ATOM 0 H LYS A 27 8.847 -14.051 4.086 1.00 13.52 H new ATOM 0 HA LYS A 27 7.249 -12.935 6.248 1.00 40.25 H new ATOM 0 HB2 LYS A 27 9.212 -11.701 4.273 1.00 3.21 H new ATOM 0 HB3 LYS A 27 8.471 -10.849 5.613 1.00 3.21 H new ATOM 0 HG2 LYS A 27 10.414 -11.422 6.658 1.00 14.14 H new ATOM 0 HG3 LYS A 27 9.529 -12.895 7.001 1.00 14.14 H new ATOM 0 HD2 LYS A 27 10.807 -14.156 5.587 1.00 65.15 H new ATOM 0 HD3 LYS A 27 10.883 -12.901 4.366 1.00 65.15 H new ATOM 0 HE2 LYS A 27 12.434 -12.717 6.973 1.00 22.45 H new ATOM 0 HE3 LYS A 27 13.084 -13.518 5.556 1.00 22.45 H new ATOM 0 HZ1 LYS A 27 13.807 -11.228 5.657 1.00 72.04 H new ATOM 0 HZ2 LYS A 27 12.805 -11.448 4.304 1.00 72.04 H new ATOM 0 HZ3 LYS A 27 12.201 -10.676 5.690 1.00 72.04 H new ATOM 410 N GLN A 28 5.649 -11.408 5.007 1.00 14.11 N ATOM 411 CA GLN A 28 4.539 -10.780 4.300 1.00 63.42 C ATOM 412 C GLN A 28 4.621 -9.261 4.397 1.00 15.11 C ATOM 413 O GLN A 28 5.545 -8.717 5.003 1.00 43.34 O ATOM 414 CB GLN A 28 3.205 -11.268 4.869 1.00 53.23 C ATOM 415 CG GLN A 28 3.244 -12.704 5.365 1.00 43.53 C ATOM 416 CD GLN A 28 3.586 -12.803 6.839 1.00 3.22 C ATOM 417 OE1 GLN A 28 2.715 -12.267 7.687 1.00 40.20 O flip ATOM 418 NE2 GLN A 28 4.621 -13.355 7.212 1.00 41.10 N flip ATOM 0 H GLN A 28 5.695 -11.188 6.002 1.00 14.11 H new ATOM 0 HA GLN A 28 4.604 -11.062 3.249 1.00 63.42 H new ATOM 0 HB2 GLN A 28 2.910 -10.616 5.691 1.00 53.23 H new ATOM 0 HB3 GLN A 28 2.437 -11.179 4.100 1.00 53.23 H new ATOM 0 HG2 GLN A 28 2.275 -13.172 5.188 1.00 43.53 H new ATOM 0 HG3 GLN A 28 3.979 -13.264 4.787 1.00 43.53 H new ATOM 0 HE21 GLN A 28 5.262 -13.753 6.526 1.00 41.10 H new ATOM 0 HE22 GLN A 28 4.837 -13.414 8.207 1.00 41.10 H new ATOM 427 N TYR A 29 3.652 -8.581 3.794 1.00 63.02 N ATOM 428 CA TYR A 29 3.616 -7.124 3.810 1.00 75.24 C ATOM 429 C TYR A 29 2.797 -6.611 4.990 1.00 31.12 C ATOM 430 O TYR A 29 1.921 -7.309 5.503 1.00 51.15 O ATOM 431 CB TYR A 29 3.032 -6.594 2.499 1.00 41.45 C ATOM 432 CG TYR A 29 4.062 -6.413 1.406 1.00 65.34 C ATOM 433 CD1 TYR A 29 4.903 -5.309 1.393 1.00 52.11 C ATOM 434 CD2 TYR A 29 4.191 -7.348 0.387 1.00 12.14 C ATOM 435 CE1 TYR A 29 5.845 -5.140 0.397 1.00 13.11 C ATOM 436 CE2 TYR A 29 5.131 -7.188 -0.613 1.00 5.03 C ATOM 437 CZ TYR A 29 5.955 -6.082 -0.604 1.00 31.14 C ATOM 438 OH TYR A 29 6.891 -5.919 -1.600 1.00 22.01 O ATOM 0 H TYR A 29 2.881 -9.016 3.288 1.00 63.02 H new ATOM 0 HA TYR A 29 4.638 -6.762 3.918 1.00 75.24 H new ATOM 0 HB2 TYR A 29 2.261 -7.282 2.150 1.00 41.45 H new ATOM 0 HB3 TYR A 29 2.544 -5.638 2.689 1.00 41.45 H new ATOM 0 HD1 TYR A 29 4.819 -4.569 2.175 1.00 52.11 H new ATOM 0 HD2 TYR A 29 3.546 -8.214 0.376 1.00 12.14 H new ATOM 0 HE1 TYR A 29 6.492 -4.275 0.402 1.00 13.11 H new ATOM 0 HE2 TYR A 29 5.220 -7.925 -1.397 1.00 5.03 H new ATOM 0 HH TYR A 29 7.662 -5.427 -1.247 1.00 22.01 H new ATOM 448 N LYS A 30 3.086 -5.386 5.415 1.00 41.23 N ATOM 449 CA LYS A 30 2.376 -4.776 6.533 1.00 73.44 C ATOM 450 C LYS A 30 2.399 -3.254 6.427 1.00 74.20 C ATOM 451 O LYS A 30 3.026 -2.695 5.528 1.00 15.32 O ATOM 452 CB LYS A 30 3.000 -5.215 7.860 1.00 63.02 C ATOM 453 CG LYS A 30 2.318 -6.420 8.483 1.00 33.40 C ATOM 454 CD LYS A 30 3.001 -6.842 9.773 1.00 71.14 C ATOM 455 CE LYS A 30 2.760 -8.314 10.076 1.00 15.11 C ATOM 456 NZ LYS A 30 2.783 -8.590 11.539 1.00 32.11 N ATOM 0 H LYS A 30 3.808 -4.795 5.002 1.00 41.23 H new ATOM 0 HA LYS A 30 1.339 -5.109 6.498 1.00 73.44 H new ATOM 0 HB2 LYS A 30 4.053 -5.447 7.698 1.00 63.02 H new ATOM 0 HB3 LYS A 30 2.962 -4.383 8.563 1.00 63.02 H new ATOM 0 HG2 LYS A 30 1.273 -6.184 8.684 1.00 33.40 H new ATOM 0 HG3 LYS A 30 2.328 -7.250 7.777 1.00 33.40 H new ATOM 0 HD2 LYS A 30 4.072 -6.656 9.696 1.00 71.14 H new ATOM 0 HD3 LYS A 30 2.630 -6.234 10.598 1.00 71.14 H new ATOM 0 HE2 LYS A 30 1.797 -8.617 9.664 1.00 15.11 H new ATOM 0 HE3 LYS A 30 3.522 -8.916 9.581 1.00 15.11 H new ATOM 0 HZ1 LYS A 30 2.615 -9.603 11.704 1.00 32.11 H new ATOM 0 HZ2 LYS A 30 3.711 -8.325 11.928 1.00 32.11 H new ATOM 0 HZ3 LYS A 30 2.039 -8.035 12.009 1.00 32.11 H new ATOM 470 N LEU A 31 1.713 -2.591 7.351 1.00 22.13 N ATOM 471 CA LEU A 31 1.656 -1.134 7.363 1.00 14.04 C ATOM 472 C LEU A 31 3.044 -0.533 7.163 1.00 10.11 C ATOM 473 O LEU A 31 3.243 0.324 6.302 1.00 2.23 O ATOM 474 CB LEU A 31 1.058 -0.637 8.680 1.00 63.34 C ATOM 475 CG LEU A 31 -0.376 -1.081 8.975 1.00 42.23 C ATOM 476 CD1 LEU A 31 -0.724 -0.826 10.433 1.00 55.24 C ATOM 477 CD2 LEU A 31 -1.356 -0.363 8.059 1.00 35.55 C ATOM 0 H LEU A 31 1.188 -3.040 8.102 1.00 22.13 H new ATOM 0 HA LEU A 31 1.019 -0.814 6.539 1.00 14.04 H new ATOM 0 HB2 LEU A 31 1.697 -0.974 9.496 1.00 63.34 H new ATOM 0 HB3 LEU A 31 1.087 0.453 8.681 1.00 63.34 H new ATOM 0 HG LEU A 31 -0.450 -2.152 8.786 1.00 42.23 H new ATOM 0 HD11 LEU A 31 -1.748 -1.148 10.624 1.00 55.24 H new ATOM 0 HD12 LEU A 31 -0.042 -1.386 11.073 1.00 55.24 H new ATOM 0 HD13 LEU A 31 -0.632 0.239 10.648 1.00 55.24 H new ATOM 0 HD21 LEU A 31 -2.371 -0.691 8.283 1.00 35.55 H new ATOM 0 HD22 LEU A 31 -1.280 0.713 8.216 1.00 35.55 H new ATOM 0 HD23 LEU A 31 -1.121 -0.596 7.020 1.00 35.55 H new ATOM 489 N LYS A 32 4.001 -0.989 7.963 1.00 31.33 N ATOM 490 CA LYS A 32 5.372 -0.500 7.873 1.00 72.33 C ATOM 491 C LYS A 32 5.724 -0.130 6.436 1.00 61.11 C ATOM 492 O LYS A 32 6.219 0.966 6.171 1.00 22.33 O ATOM 493 CB LYS A 32 6.348 -1.559 8.392 1.00 21.32 C ATOM 494 CG LYS A 32 7.666 -0.984 8.882 1.00 25.43 C ATOM 495 CD LYS A 32 7.587 -0.575 10.343 1.00 71.42 C ATOM 496 CE LYS A 32 8.913 -0.020 10.838 1.00 11.00 C ATOM 497 NZ LYS A 32 9.148 -0.342 12.273 1.00 43.51 N ATOM 0 H LYS A 32 3.853 -1.697 8.682 1.00 31.33 H new ATOM 0 HA LYS A 32 5.454 0.395 8.490 1.00 72.33 H new ATOM 0 HB2 LYS A 32 5.876 -2.108 9.207 1.00 21.32 H new ATOM 0 HB3 LYS A 32 6.548 -2.277 7.597 1.00 21.32 H new ATOM 0 HG2 LYS A 32 8.457 -1.723 8.752 1.00 25.43 H new ATOM 0 HG3 LYS A 32 7.935 -0.119 8.275 1.00 25.43 H new ATOM 0 HD2 LYS A 32 6.807 0.176 10.470 1.00 71.42 H new ATOM 0 HD3 LYS A 32 7.303 -1.436 10.948 1.00 71.42 H new ATOM 0 HE2 LYS A 32 9.725 -0.429 10.236 1.00 11.00 H new ATOM 0 HE3 LYS A 32 8.928 1.061 10.701 1.00 11.00 H new ATOM 0 HZ1 LYS A 32 10.062 0.054 12.572 1.00 43.51 H new ATOM 0 HZ2 LYS A 32 8.387 0.069 12.850 1.00 43.51 H new ATOM 0 HZ3 LYS A 32 9.159 -1.374 12.400 1.00 43.51 H new ATOM 511 N HIS A 33 5.464 -1.049 5.512 1.00 73.30 N ATOM 512 CA HIS A 33 5.752 -0.818 4.100 1.00 71.13 C ATOM 513 C HIS A 33 4.854 0.279 3.536 1.00 72.55 C ATOM 514 O HIS A 33 5.391 1.155 2.858 1.00 2.52 O ATOM 515 CB HIS A 33 5.564 -2.108 3.301 1.00 62.22 C ATOM 516 CG HIS A 33 6.258 -3.292 3.902 1.00 4.40 C ATOM 517 ND1 HIS A 33 5.584 -4.349 4.476 1.00 13.51 N ATOM 518 CD2 HIS A 33 7.575 -3.582 4.015 1.00 22.35 C ATOM 519 CE1 HIS A 33 6.457 -5.237 4.917 1.00 23.55 C ATOM 520 NE2 HIS A 33 7.672 -4.796 4.649 1.00 35.25 N ATOM 0 H HIS A 33 5.054 -1.961 5.715 1.00 73.30 H new ATOM 0 HA HIS A 33 6.789 -0.495 4.014 1.00 71.13 H new ATOM 0 HB2 HIS A 33 4.499 -2.324 3.221 1.00 62.22 H new ATOM 0 HB3 HIS A 33 5.935 -1.955 2.288 1.00 62.22 H new ATOM 0 HD2 HIS A 33 8.397 -2.972 3.671 1.00 22.35 H new ATOM 0 HE1 HIS A 33 6.217 -6.166 5.413 1.00 23.55 H new ATOM 0 HE2 HIS A 33 8.541 -5.279 4.876 1.00 35.25 H new ATOM 528 N ILE A 34 3.550 0.255 3.788 1.00 62.53 N ATOM 529 CA ILE A 34 2.653 1.282 3.272 1.00 40.12 C ATOM 530 C ILE A 34 3.179 2.679 3.586 1.00 31.43 C ATOM 531 O ILE A 34 3.031 3.604 2.787 1.00 24.23 O ATOM 532 CB ILE A 34 1.235 1.136 3.854 1.00 42.42 C ATOM 533 CG1 ILE A 34 0.695 -0.271 3.594 1.00 52.10 C ATOM 534 CG2 ILE A 34 0.308 2.185 3.259 1.00 24.12 C ATOM 535 CD1 ILE A 34 -0.720 -0.476 4.088 1.00 25.22 C ATOM 0 H ILE A 34 3.091 -0.464 4.346 1.00 62.53 H new ATOM 0 HA ILE A 34 2.608 1.148 2.191 1.00 40.12 H new ATOM 0 HB ILE A 34 1.283 1.292 4.932 1.00 42.42 H new ATOM 0 HG12 ILE A 34 0.730 -0.473 2.523 1.00 52.10 H new ATOM 0 HG13 ILE A 34 1.349 -0.997 4.077 1.00 52.10 H new ATOM 0 HG21 ILE A 34 -0.691 2.069 3.680 1.00 24.12 H new ATOM 0 HG22 ILE A 34 0.687 3.180 3.493 1.00 24.12 H new ATOM 0 HG23 ILE A 34 0.262 2.059 2.177 1.00 24.12 H new ATOM 0 HD11 ILE A 34 -1.037 -1.496 3.870 1.00 25.22 H new ATOM 0 HD12 ILE A 34 -0.758 -0.306 5.164 1.00 25.22 H new ATOM 0 HD13 ILE A 34 -1.386 0.226 3.586 1.00 25.22 H new ATOM 547 N VAL A 35 3.796 2.825 4.753 1.00 75.53 N ATOM 548 CA VAL A 35 4.347 4.107 5.172 1.00 43.20 C ATOM 549 C VAL A 35 5.682 4.382 4.488 1.00 41.05 C ATOM 550 O VAL A 35 5.901 5.466 3.947 1.00 33.12 O ATOM 551 CB VAL A 35 4.544 4.162 6.699 1.00 54.23 C ATOM 552 CG1 VAL A 35 5.210 5.468 7.105 1.00 0.32 C ATOM 553 CG2 VAL A 35 3.214 3.987 7.414 1.00 5.50 C ATOM 0 H VAL A 35 3.927 2.070 5.426 1.00 75.53 H new ATOM 0 HA VAL A 35 3.627 4.871 4.878 1.00 43.20 H new ATOM 0 HB VAL A 35 5.199 3.342 6.993 1.00 54.23 H new ATOM 0 HG11 VAL A 35 5.341 5.489 8.187 1.00 0.32 H new ATOM 0 HG12 VAL A 35 6.183 5.546 6.620 1.00 0.32 H new ATOM 0 HG13 VAL A 35 4.584 6.306 6.799 1.00 0.32 H new ATOM 0 HG21 VAL A 35 3.372 4.028 8.492 1.00 5.50 H new ATOM 0 HG22 VAL A 35 2.533 4.784 7.116 1.00 5.50 H new ATOM 0 HG23 VAL A 35 2.782 3.022 7.148 1.00 5.50 H new ATOM 563 N TRP A 36 6.569 3.394 4.516 1.00 25.13 N ATOM 564 CA TRP A 36 7.882 3.529 3.897 1.00 55.31 C ATOM 565 C TRP A 36 7.756 3.938 2.434 1.00 21.34 C ATOM 566 O TRP A 36 8.674 4.523 1.861 1.00 54.25 O ATOM 567 CB TRP A 36 8.658 2.215 4.007 1.00 10.41 C ATOM 568 CG TRP A 36 10.034 2.287 3.416 1.00 24.41 C ATOM 569 CD1 TRP A 36 11.202 2.513 4.086 1.00 44.40 C ATOM 570 CD2 TRP A 36 10.383 2.132 2.037 1.00 21.33 C ATOM 571 NE1 TRP A 36 12.257 2.509 3.205 1.00 64.24 N ATOM 572 CE2 TRP A 36 11.781 2.276 1.943 1.00 0.32 C ATOM 573 CE3 TRP A 36 9.651 1.883 0.872 1.00 55.24 C ATOM 574 CZ2 TRP A 36 12.459 2.181 0.730 1.00 12.30 C ATOM 575 CZ3 TRP A 36 10.326 1.789 -0.330 1.00 11.21 C ATOM 576 CH2 TRP A 36 11.718 1.937 -0.395 1.00 51.43 C ATOM 0 H TRP A 36 6.403 2.491 4.961 1.00 25.13 H new ATOM 0 HA TRP A 36 8.427 4.310 4.427 1.00 55.31 H new ATOM 0 HB2 TRP A 36 8.736 1.934 5.057 1.00 10.41 H new ATOM 0 HB3 TRP A 36 8.096 1.426 3.507 1.00 10.41 H new ATOM 0 HD1 TRP A 36 11.285 2.672 5.151 1.00 44.40 H new ATOM 0 HE1 TRP A 36 13.236 2.656 3.452 1.00 64.24 H new ATOM 0 HE3 TRP A 36 8.578 1.766 0.911 1.00 55.24 H new ATOM 0 HZ2 TRP A 36 13.532 2.296 0.679 1.00 12.30 H new ATOM 0 HZ3 TRP A 36 9.770 1.598 -1.236 1.00 11.21 H new ATOM 0 HH2 TRP A 36 12.215 1.857 -1.350 1.00 51.43 H new ATOM 587 N ALA A 37 6.611 3.627 1.834 1.00 0.35 N ATOM 588 CA ALA A 37 6.365 3.965 0.438 1.00 1.04 C ATOM 589 C ALA A 37 5.600 5.279 0.318 1.00 15.22 C ATOM 590 O ALA A 37 6.009 6.182 -0.413 1.00 12.21 O ATOM 591 CB ALA A 37 5.600 2.844 -0.250 1.00 31.33 C ATOM 0 H ALA A 37 5.840 3.142 2.293 1.00 0.35 H new ATOM 0 HA ALA A 37 7.329 4.089 -0.055 1.00 1.04 H new ATOM 0 HB1 ALA A 37 5.423 3.110 -1.292 1.00 31.33 H new ATOM 0 HB2 ALA A 37 6.183 1.924 -0.204 1.00 31.33 H new ATOM 0 HB3 ALA A 37 4.645 2.693 0.253 1.00 31.33 H new ATOM 597 N SER A 38 4.488 5.380 1.039 1.00 32.23 N ATOM 598 CA SER A 38 3.665 6.583 1.010 1.00 3.34 C ATOM 599 C SER A 38 4.490 7.816 1.364 1.00 13.05 C ATOM 600 O SER A 38 4.238 8.911 0.861 1.00 1.03 O ATOM 601 CB SER A 38 2.491 6.446 1.981 1.00 25.13 C ATOM 602 OG SER A 38 1.579 5.454 1.542 1.00 5.23 O ATOM 0 H SER A 38 4.136 4.643 1.650 1.00 32.23 H new ATOM 0 HA SER A 38 3.279 6.704 -0.002 1.00 3.34 H new ATOM 0 HB2 SER A 38 2.863 6.189 2.973 1.00 25.13 H new ATOM 0 HB3 SER A 38 1.977 7.403 2.072 1.00 25.13 H new ATOM 0 HG SER A 38 1.925 4.567 1.772 1.00 5.23 H new ATOM 608 N ARG A 39 5.478 7.630 2.233 1.00 32.34 N ATOM 609 CA ARG A 39 6.341 8.726 2.655 1.00 34.33 C ATOM 610 C ARG A 39 7.328 9.097 1.552 1.00 71.43 C ATOM 611 O ARG A 39 7.958 10.154 1.600 1.00 24.23 O ATOM 612 CB ARG A 39 7.101 8.344 3.927 1.00 61.32 C ATOM 613 CG ARG A 39 6.343 8.657 5.206 1.00 42.25 C ATOM 614 CD ARG A 39 7.227 9.370 6.218 1.00 14.33 C ATOM 615 NE ARG A 39 6.445 10.043 7.250 1.00 13.55 N ATOM 616 CZ ARG A 39 6.976 10.838 8.173 1.00 64.42 C ATOM 617 NH1 ARG A 39 8.283 11.055 8.193 1.00 15.53 N ATOM 618 NH2 ARG A 39 6.198 11.415 9.080 1.00 50.35 N ATOM 0 H ARG A 39 5.701 6.730 2.659 1.00 32.34 H new ATOM 0 HA ARG A 39 5.712 9.592 2.862 1.00 34.33 H new ATOM 0 HB2 ARG A 39 7.326 7.278 3.899 1.00 61.32 H new ATOM 0 HB3 ARG A 39 8.055 8.871 3.942 1.00 61.32 H new ATOM 0 HG2 ARG A 39 5.478 9.279 4.975 1.00 42.25 H new ATOM 0 HG3 ARG A 39 5.963 7.732 5.641 1.00 42.25 H new ATOM 0 HD2 ARG A 39 7.898 8.649 6.684 1.00 14.33 H new ATOM 0 HD3 ARG A 39 7.852 10.100 5.703 1.00 14.33 H new ATOM 0 HE ARG A 39 5.436 9.895 7.264 1.00 13.55 H new ATOM 0 HH11 ARG A 39 8.884 10.611 7.499 1.00 15.53 H new ATOM 0 HH12 ARG A 39 8.688 11.666 8.903 1.00 15.53 H new ATOM 0 HH21 ARG A 39 5.192 11.248 9.069 1.00 50.35 H new ATOM 0 HH22 ARG A 39 6.606 12.025 9.788 1.00 50.35 H new ATOM 632 N GLU A 40 7.458 8.220 0.561 1.00 52.13 N ATOM 633 CA GLU A 40 8.370 8.456 -0.552 1.00 42.12 C ATOM 634 C GLU A 40 7.691 9.273 -1.648 1.00 63.53 C ATOM 635 O GLU A 40 8.289 10.186 -2.218 1.00 42.22 O ATOM 636 CB GLU A 40 8.866 7.126 -1.124 1.00 3.25 C ATOM 637 CG GLU A 40 10.195 7.235 -1.852 1.00 32.24 C ATOM 638 CD GLU A 40 11.379 6.931 -0.955 1.00 44.23 C ATOM 639 OE1 GLU A 40 11.165 6.730 0.260 1.00 22.12 O ATOM 640 OE2 GLU A 40 12.517 6.894 -1.465 1.00 31.55 O ATOM 0 H GLU A 40 6.944 7.341 0.506 1.00 52.13 H new ATOM 0 HA GLU A 40 9.222 9.022 -0.177 1.00 42.12 H new ATOM 0 HB2 GLU A 40 8.964 6.405 -0.312 1.00 3.25 H new ATOM 0 HB3 GLU A 40 8.116 6.733 -1.811 1.00 3.25 H new ATOM 0 HG2 GLU A 40 10.199 6.547 -2.698 1.00 32.24 H new ATOM 0 HG3 GLU A 40 10.301 8.241 -2.258 1.00 32.24 H new ATOM 647 N LEU A 41 6.439 8.938 -1.937 1.00 44.03 N ATOM 648 CA LEU A 41 5.677 9.639 -2.963 1.00 24.44 C ATOM 649 C LEU A 41 5.750 11.149 -2.761 1.00 34.42 C ATOM 650 O LEU A 41 5.999 11.900 -3.704 1.00 74.24 O ATOM 651 CB LEU A 41 4.217 9.181 -2.946 1.00 63.04 C ATOM 652 CG LEU A 41 3.966 7.722 -3.329 1.00 12.41 C ATOM 653 CD1 LEU A 41 2.474 7.447 -3.436 1.00 54.40 C ATOM 654 CD2 LEU A 41 4.667 7.387 -4.637 1.00 21.45 C ATOM 0 H LEU A 41 5.930 8.185 -1.475 1.00 44.03 H new ATOM 0 HA LEU A 41 6.115 9.399 -3.932 1.00 24.44 H new ATOM 0 HB2 LEU A 41 3.817 9.347 -1.946 1.00 63.04 H new ATOM 0 HB3 LEU A 41 3.650 9.817 -3.626 1.00 63.04 H new ATOM 0 HG LEU A 41 4.376 7.085 -2.546 1.00 12.41 H new ATOM 0 HD11 LEU A 41 2.315 6.404 -3.709 1.00 54.40 H new ATOM 0 HD12 LEU A 41 1.997 7.647 -2.476 1.00 54.40 H new ATOM 0 HD13 LEU A 41 2.039 8.092 -4.199 1.00 54.40 H new ATOM 0 HD21 LEU A 41 4.478 6.345 -4.895 1.00 21.45 H new ATOM 0 HD22 LEU A 41 4.286 8.032 -5.429 1.00 21.45 H new ATOM 0 HD23 LEU A 41 5.740 7.544 -4.525 1.00 21.45 H new ATOM 666 N GLU A 42 5.534 11.586 -1.524 1.00 31.20 N ATOM 667 CA GLU A 42 5.577 13.006 -1.198 1.00 14.43 C ATOM 668 C GLU A 42 6.873 13.640 -1.698 1.00 0.23 C ATOM 669 O GLU A 42 6.883 14.787 -2.146 1.00 52.31 O ATOM 670 CB GLU A 42 5.447 13.211 0.312 1.00 31.12 C ATOM 671 CG GLU A 42 4.127 13.836 0.730 1.00 50.44 C ATOM 672 CD GLU A 42 4.060 14.118 2.218 1.00 44.10 C ATOM 673 OE1 GLU A 42 5.008 14.734 2.749 1.00 34.41 O ATOM 674 OE2 GLU A 42 3.060 13.723 2.853 1.00 33.32 O ATOM 0 H GLU A 42 5.328 10.977 -0.732 1.00 31.20 H new ATOM 0 HA GLU A 42 4.738 13.492 -1.696 1.00 14.43 H new ATOM 0 HB2 GLU A 42 5.558 12.249 0.812 1.00 31.12 H new ATOM 0 HB3 GLU A 42 6.264 13.845 0.656 1.00 31.12 H new ATOM 0 HG2 GLU A 42 3.980 14.766 0.181 1.00 50.44 H new ATOM 0 HG3 GLU A 42 3.310 13.170 0.453 1.00 50.44 H new ATOM 681 N ARG A 43 7.964 12.885 -1.618 1.00 62.11 N ATOM 682 CA ARG A 43 9.265 13.371 -2.060 1.00 43.43 C ATOM 683 C ARG A 43 9.425 13.203 -3.567 1.00 31.03 C ATOM 684 O ARG A 43 10.230 13.890 -4.197 1.00 3.12 O ATOM 685 CB ARG A 43 10.386 12.628 -1.331 1.00 42.24 C ATOM 686 CG ARG A 43 11.671 13.431 -1.211 1.00 71.34 C ATOM 687 CD ARG A 43 12.778 12.615 -0.562 1.00 73.04 C ATOM 688 NE ARG A 43 12.462 12.267 0.822 1.00 22.11 N ATOM 689 CZ ARG A 43 12.498 13.137 1.825 1.00 31.04 C ATOM 690 NH1 ARG A 43 12.836 14.399 1.601 1.00 3.52 N ATOM 691 NH2 ARG A 43 12.198 12.744 3.056 1.00 64.01 N ATOM 0 H ARG A 43 7.972 11.933 -1.251 1.00 62.11 H new ATOM 0 HA ARG A 43 9.328 14.433 -1.822 1.00 43.43 H new ATOM 0 HB2 ARG A 43 10.042 12.358 -0.333 1.00 42.24 H new ATOM 0 HB3 ARG A 43 10.597 11.698 -1.858 1.00 42.24 H new ATOM 0 HG2 ARG A 43 11.991 13.758 -2.200 1.00 71.34 H new ATOM 0 HG3 ARG A 43 11.486 14.329 -0.622 1.00 71.34 H new ATOM 0 HD2 ARG A 43 12.941 11.703 -1.137 1.00 73.04 H new ATOM 0 HD3 ARG A 43 13.709 13.181 -0.590 1.00 73.04 H new ATOM 0 HE ARG A 43 12.199 11.303 1.029 1.00 22.11 H new ATOM 0 HH11 ARG A 43 13.069 14.704 0.656 1.00 3.52 H new ATOM 0 HH12 ARG A 43 12.863 15.065 2.373 1.00 3.52 H new ATOM 0 HH21 ARG A 43 11.940 11.773 3.233 1.00 64.01 H new ATOM 0 HH22 ARG A 43 12.226 13.413 3.826 1.00 64.01 H new ATOM 705 N PHE A 44 8.654 12.286 -4.141 1.00 21.50 N ATOM 706 CA PHE A 44 8.711 12.025 -5.575 1.00 45.13 C ATOM 707 C PHE A 44 7.704 12.892 -6.324 1.00 1.33 C ATOM 708 O PHE A 44 7.275 12.552 -7.427 1.00 64.40 O ATOM 709 CB PHE A 44 8.438 10.547 -5.857 1.00 33.33 C ATOM 710 CG PHE A 44 9.683 9.709 -5.922 1.00 54.41 C ATOM 711 CD1 PHE A 44 10.418 9.627 -7.094 1.00 40.42 C ATOM 712 CD2 PHE A 44 10.117 9.004 -4.812 1.00 75.23 C ATOM 713 CE1 PHE A 44 11.565 8.857 -7.157 1.00 1.41 C ATOM 714 CE2 PHE A 44 11.264 8.233 -4.869 1.00 11.10 C ATOM 715 CZ PHE A 44 11.988 8.159 -6.043 1.00 4.13 C ATOM 0 H PHE A 44 7.981 11.710 -3.635 1.00 21.50 H new ATOM 0 HA PHE A 44 9.712 12.275 -5.926 1.00 45.13 H new ATOM 0 HB2 PHE A 44 7.784 10.152 -5.080 1.00 33.33 H new ATOM 0 HB3 PHE A 44 7.901 10.459 -6.801 1.00 33.33 H new ATOM 0 HD1 PHE A 44 10.091 10.171 -7.968 1.00 40.42 H new ATOM 0 HD2 PHE A 44 9.554 9.057 -3.892 1.00 75.23 H new ATOM 0 HE1 PHE A 44 12.129 8.802 -8.076 1.00 1.41 H new ATOM 0 HE2 PHE A 44 11.593 7.689 -3.996 1.00 11.10 H new ATOM 0 HZ PHE A 44 12.883 7.556 -6.090 1.00 4.13 H new ATOM 725 N ALA A 45 7.331 14.015 -5.719 1.00 43.12 N ATOM 726 CA ALA A 45 6.376 14.932 -6.329 1.00 11.20 C ATOM 727 C ALA A 45 5.067 14.223 -6.658 1.00 15.02 C ATOM 728 O ALA A 45 4.284 14.695 -7.483 1.00 74.03 O ATOM 729 CB ALA A 45 6.971 15.556 -7.583 1.00 22.24 C ATOM 0 H ALA A 45 7.676 14.312 -4.806 1.00 43.12 H new ATOM 0 HA ALA A 45 6.159 15.723 -5.611 1.00 11.20 H new ATOM 0 HB1 ALA A 45 6.247 16.239 -8.028 1.00 22.24 H new ATOM 0 HB2 ALA A 45 7.875 16.106 -7.322 1.00 22.24 H new ATOM 0 HB3 ALA A 45 7.217 14.771 -8.298 1.00 22.24 H new ATOM 735 N VAL A 46 4.837 13.085 -6.009 1.00 5.34 N ATOM 736 CA VAL A 46 3.622 12.311 -6.233 1.00 61.21 C ATOM 737 C VAL A 46 2.747 12.287 -4.984 1.00 52.01 C ATOM 738 O VAL A 46 3.233 12.055 -3.879 1.00 35.40 O ATOM 739 CB VAL A 46 3.947 10.864 -6.647 1.00 64.20 C ATOM 740 CG1 VAL A 46 2.681 10.022 -6.687 1.00 21.30 C ATOM 741 CG2 VAL A 46 4.654 10.841 -7.993 1.00 12.43 C ATOM 0 H VAL A 46 5.476 12.680 -5.325 1.00 5.34 H new ATOM 0 HA VAL A 46 3.080 12.800 -7.043 1.00 61.21 H new ATOM 0 HB VAL A 46 4.617 10.434 -5.903 1.00 64.20 H new ATOM 0 HG11 VAL A 46 2.931 9.003 -6.982 1.00 21.30 H new ATOM 0 HG12 VAL A 46 2.220 10.012 -5.700 1.00 21.30 H new ATOM 0 HG13 VAL A 46 1.984 10.447 -7.409 1.00 21.30 H new ATOM 0 HG21 VAL A 46 4.876 9.810 -8.270 1.00 12.43 H new ATOM 0 HG22 VAL A 46 4.010 11.289 -8.750 1.00 12.43 H new ATOM 0 HG23 VAL A 46 5.583 11.407 -7.926 1.00 12.43 H new ATOM 751 N ASN A 47 1.453 12.529 -5.170 1.00 72.53 N ATOM 752 CA ASN A 47 0.511 12.535 -4.057 1.00 23.53 C ATOM 753 C ASN A 47 0.311 11.126 -3.506 1.00 64.24 C ATOM 754 O ASN A 47 0.167 10.155 -4.250 1.00 44.32 O ATOM 755 CB ASN A 47 -0.833 13.115 -4.503 1.00 33.21 C ATOM 756 CG ASN A 47 -0.801 14.627 -4.618 1.00 74.44 C ATOM 757 OD1 ASN A 47 0.018 15.291 -3.981 1.00 62.25 O ATOM 758 ND2 ASN A 47 -1.693 15.178 -5.432 1.00 61.35 N ATOM 0 H ASN A 47 1.034 12.723 -6.079 1.00 72.53 H new ATOM 0 HA ASN A 47 0.925 13.160 -3.266 1.00 23.53 H new ATOM 0 HB2 ASN A 47 -1.109 12.686 -5.466 1.00 33.21 H new ATOM 0 HB3 ASN A 47 -1.605 12.824 -3.791 1.00 33.21 H new ATOM 0 HD21 ASN A 47 -1.719 16.191 -5.550 1.00 61.35 H new ATOM 0 HD22 ASN A 47 -2.353 14.589 -5.940 1.00 61.35 H new ATOM 765 N PRO A 48 0.302 11.009 -2.170 1.00 51.20 N ATOM 766 CA PRO A 48 0.120 9.724 -1.488 1.00 24.33 C ATOM 767 C PRO A 48 -1.298 9.181 -1.643 1.00 14.25 C ATOM 768 O PRO A 48 -1.603 8.078 -1.194 1.00 40.42 O ATOM 769 CB PRO A 48 0.407 10.056 -0.022 1.00 30.10 C ATOM 770 CG PRO A 48 0.107 11.509 0.103 1.00 44.52 C ATOM 771 CD PRO A 48 0.468 12.123 -1.221 1.00 54.14 C ATOM 0 HA PRO A 48 0.768 8.950 -1.899 1.00 24.33 H new ATOM 0 HB2 PRO A 48 -0.217 9.464 0.647 1.00 30.10 H new ATOM 0 HB3 PRO A 48 1.444 9.842 0.237 1.00 30.10 H new ATOM 0 HG2 PRO A 48 -0.946 11.671 0.334 1.00 44.52 H new ATOM 0 HG3 PRO A 48 0.684 11.958 0.911 1.00 44.52 H new ATOM 0 HD2 PRO A 48 -0.184 12.961 -1.467 1.00 54.14 H new ATOM 0 HD3 PRO A 48 1.489 12.503 -1.222 1.00 54.14 H new ATOM 779 N GLY A 49 -2.159 9.965 -2.284 1.00 44.13 N ATOM 780 CA GLY A 49 -3.534 9.546 -2.487 1.00 51.00 C ATOM 781 C GLY A 49 -3.694 8.650 -3.699 1.00 73.21 C ATOM 782 O GLY A 49 -4.789 8.161 -3.980 1.00 41.42 O ATOM 0 H GLY A 49 -1.929 10.882 -2.666 1.00 44.13 H new ATOM 0 HA2 GLY A 49 -3.884 9.018 -1.600 1.00 51.00 H new ATOM 0 HA3 GLY A 49 -4.165 10.427 -2.604 1.00 51.00 H new ATOM 786 N LEU A 50 -2.600 8.433 -4.421 1.00 53.23 N ATOM 787 CA LEU A 50 -2.622 7.592 -5.612 1.00 65.44 C ATOM 788 C LEU A 50 -2.265 6.150 -5.266 1.00 73.25 C ATOM 789 O LEU A 50 -1.817 5.387 -6.124 1.00 70.45 O ATOM 790 CB LEU A 50 -1.651 8.133 -6.662 1.00 25.53 C ATOM 791 CG LEU A 50 -1.717 9.637 -6.926 1.00 22.42 C ATOM 792 CD1 LEU A 50 -0.509 10.091 -7.730 1.00 12.12 C ATOM 793 CD2 LEU A 50 -3.008 9.995 -7.649 1.00 12.22 C ATOM 0 H LEU A 50 -1.686 8.829 -4.202 1.00 53.23 H new ATOM 0 HA LEU A 50 -3.633 7.609 -6.020 1.00 65.44 H new ATOM 0 HB2 LEU A 50 -0.636 7.883 -6.352 1.00 25.53 H new ATOM 0 HB3 LEU A 50 -1.835 7.611 -7.601 1.00 25.53 H new ATOM 0 HG LEU A 50 -1.705 10.156 -5.968 1.00 22.42 H new ATOM 0 HD11 LEU A 50 -0.573 11.164 -7.908 1.00 12.12 H new ATOM 0 HD12 LEU A 50 0.402 9.869 -7.174 1.00 12.12 H new ATOM 0 HD13 LEU A 50 -0.489 9.565 -8.685 1.00 12.12 H new ATOM 0 HD21 LEU A 50 -3.038 11.070 -7.829 1.00 12.22 H new ATOM 0 HD22 LEU A 50 -3.050 9.466 -8.601 1.00 12.22 H new ATOM 0 HD23 LEU A 50 -3.861 9.706 -7.035 1.00 12.22 H new ATOM 805 N LEU A 51 -2.467 5.781 -4.005 1.00 33.13 N ATOM 806 CA LEU A 51 -2.166 4.430 -3.546 1.00 22.22 C ATOM 807 C LEU A 51 -3.447 3.676 -3.202 1.00 25.54 C ATOM 808 O LEU A 51 -3.438 2.453 -3.057 1.00 10.14 O ATOM 809 CB LEU A 51 -1.246 4.477 -2.326 1.00 41.01 C ATOM 810 CG LEU A 51 0.084 5.207 -2.516 1.00 71.10 C ATOM 811 CD1 LEU A 51 0.906 5.162 -1.237 1.00 20.13 C ATOM 812 CD2 LEU A 51 0.863 4.602 -3.674 1.00 20.14 C ATOM 0 H LEU A 51 -2.838 6.399 -3.283 1.00 33.13 H new ATOM 0 HA LEU A 51 -1.660 3.902 -4.354 1.00 22.22 H new ATOM 0 HB2 LEU A 51 -1.785 4.954 -1.507 1.00 41.01 H new ATOM 0 HB3 LEU A 51 -1.035 3.454 -2.016 1.00 41.01 H new ATOM 0 HG LEU A 51 -0.127 6.250 -2.751 1.00 71.10 H new ATOM 0 HD11 LEU A 51 1.849 5.687 -1.392 1.00 20.13 H new ATOM 0 HD12 LEU A 51 0.351 5.643 -0.431 1.00 20.13 H new ATOM 0 HD13 LEU A 51 1.108 4.125 -0.970 1.00 20.13 H new ATOM 0 HD21 LEU A 51 1.807 5.134 -3.795 1.00 20.14 H new ATOM 0 HD22 LEU A 51 1.063 3.550 -3.468 1.00 20.14 H new ATOM 0 HD23 LEU A 51 0.278 4.688 -4.590 1.00 20.14 H new ATOM 824 N GLU A 52 -4.546 4.412 -3.074 1.00 12.34 N ATOM 825 CA GLU A 52 -5.834 3.811 -2.750 1.00 44.34 C ATOM 826 C GLU A 52 -6.535 3.310 -4.009 1.00 74.20 C ATOM 827 O GLU A 52 -7.319 2.361 -3.962 1.00 41.41 O ATOM 828 CB GLU A 52 -6.726 4.824 -2.026 1.00 71.42 C ATOM 829 CG GLU A 52 -6.857 6.150 -2.755 1.00 33.34 C ATOM 830 CD GLU A 52 -8.256 6.727 -2.669 1.00 42.11 C ATOM 831 OE1 GLU A 52 -9.227 5.954 -2.800 1.00 21.21 O ATOM 832 OE2 GLU A 52 -8.380 7.954 -2.470 1.00 53.03 O ATOM 0 H GLU A 52 -4.570 5.425 -3.190 1.00 12.34 H new ATOM 0 HA GLU A 52 -5.653 2.960 -2.094 1.00 44.34 H new ATOM 0 HB2 GLU A 52 -7.718 4.392 -1.894 1.00 71.42 H new ATOM 0 HB3 GLU A 52 -6.322 5.005 -1.030 1.00 71.42 H new ATOM 0 HG2 GLU A 52 -6.148 6.863 -2.335 1.00 33.34 H new ATOM 0 HG3 GLU A 52 -6.588 6.013 -3.802 1.00 33.34 H new ATOM 839 N THR A 53 -6.244 3.952 -5.136 1.00 4.53 N ATOM 840 CA THR A 53 -6.846 3.574 -6.409 1.00 71.23 C ATOM 841 C THR A 53 -5.829 2.894 -7.318 1.00 74.54 C ATOM 842 O THR A 53 -4.729 3.407 -7.526 1.00 24.22 O ATOM 843 CB THR A 53 -7.434 4.796 -7.139 1.00 53.23 C ATOM 844 OG1 THR A 53 -6.474 5.322 -8.062 1.00 3.31 O ATOM 845 CG2 THR A 53 -7.835 5.877 -6.146 1.00 21.43 C ATOM 0 H THR A 53 -5.595 4.737 -5.193 1.00 4.53 H new ATOM 0 HA THR A 53 -7.651 2.875 -6.182 1.00 71.23 H new ATOM 0 HB THR A 53 -8.323 4.476 -7.682 1.00 53.23 H new ATOM 0 HG1 THR A 53 -5.650 5.551 -7.583 1.00 3.31 H new ATOM 0 HG21 THR A 53 -8.248 6.730 -6.684 1.00 21.43 H new ATOM 0 HG22 THR A 53 -8.586 5.482 -5.462 1.00 21.43 H new ATOM 0 HG23 THR A 53 -6.959 6.194 -5.580 1.00 21.43 H new ATOM 853 N SER A 54 -6.202 1.737 -7.856 1.00 42.32 N ATOM 854 CA SER A 54 -5.319 0.986 -8.740 1.00 22.14 C ATOM 855 C SER A 54 -4.818 1.865 -9.882 1.00 12.12 C ATOM 856 O SER A 54 -3.718 1.664 -10.396 1.00 54.23 O ATOM 857 CB SER A 54 -6.048 -0.236 -9.304 1.00 11.33 C ATOM 858 OG SER A 54 -6.401 -0.037 -10.662 1.00 24.04 O ATOM 0 H SER A 54 -7.109 1.300 -7.695 1.00 42.32 H new ATOM 0 HA SER A 54 -4.460 0.652 -8.158 1.00 22.14 H new ATOM 0 HB2 SER A 54 -5.411 -1.116 -9.216 1.00 11.33 H new ATOM 0 HB3 SER A 54 -6.945 -0.431 -8.717 1.00 11.33 H new ATOM 0 HG SER A 54 -6.864 -0.832 -11.000 1.00 24.04 H new ATOM 864 N GLU A 55 -5.634 2.839 -10.274 1.00 4.12 N ATOM 865 CA GLU A 55 -5.274 3.748 -11.355 1.00 73.22 C ATOM 866 C GLU A 55 -4.075 4.608 -10.966 1.00 4.43 C ATOM 867 O GLU A 55 -3.250 4.960 -11.808 1.00 21.25 O ATOM 868 CB GLU A 55 -6.461 4.642 -11.717 1.00 44.31 C ATOM 869 CG GLU A 55 -7.722 3.868 -12.067 1.00 51.43 C ATOM 870 CD GLU A 55 -8.515 4.519 -13.184 1.00 13.32 C ATOM 871 OE1 GLU A 55 -8.418 5.754 -13.340 1.00 71.24 O ATOM 872 OE2 GLU A 55 -9.231 3.792 -13.903 1.00 61.44 O ATOM 0 H GLU A 55 -6.548 3.018 -9.859 1.00 4.12 H new ATOM 0 HA GLU A 55 -5.003 3.148 -12.224 1.00 73.22 H new ATOM 0 HB2 GLU A 55 -6.673 5.306 -10.879 1.00 44.31 H new ATOM 0 HB3 GLU A 55 -6.186 5.273 -12.562 1.00 44.31 H new ATOM 0 HG2 GLU A 55 -7.451 2.854 -12.362 1.00 51.43 H new ATOM 0 HG3 GLU A 55 -8.351 3.785 -11.181 1.00 51.43 H new ATOM 879 N GLY A 56 -3.987 4.945 -9.682 1.00 32.45 N ATOM 880 CA GLY A 56 -2.888 5.761 -9.203 1.00 34.13 C ATOM 881 C GLY A 56 -1.539 5.103 -9.421 1.00 52.41 C ATOM 882 O GLY A 56 -0.621 5.719 -9.966 1.00 20.12 O ATOM 0 H GLY A 56 -4.658 4.667 -8.966 1.00 32.45 H new ATOM 0 HA2 GLY A 56 -2.906 6.724 -9.713 1.00 34.13 H new ATOM 0 HA3 GLY A 56 -3.024 5.960 -8.140 1.00 34.13 H new ATOM 886 N CYS A 57 -1.417 3.852 -8.993 1.00 11.41 N ATOM 887 CA CYS A 57 -0.170 3.112 -9.142 1.00 71.44 C ATOM 888 C CYS A 57 0.248 3.037 -10.607 1.00 51.34 C ATOM 889 O CYS A 57 1.407 3.277 -10.945 1.00 43.34 O ATOM 890 CB CYS A 57 -0.319 1.701 -8.570 1.00 11.01 C ATOM 891 SG CYS A 57 -0.930 1.654 -6.868 1.00 11.34 S ATOM 0 H CYS A 57 -2.166 3.329 -8.540 1.00 11.41 H new ATOM 0 HA CYS A 57 0.605 3.642 -8.589 1.00 71.44 H new ATOM 0 HB2 CYS A 57 -1.000 1.133 -9.205 1.00 11.01 H new ATOM 0 HB3 CYS A 57 0.648 1.200 -8.611 1.00 11.01 H new ATOM 0 HG CYS A 57 -0.160 0.890 -6.152 1.00 11.34 H new ATOM 897 N ARG A 58 -0.704 2.703 -11.472 1.00 10.11 N ATOM 898 CA ARG A 58 -0.434 2.595 -12.900 1.00 12.12 C ATOM 899 C ARG A 58 0.414 3.767 -13.384 1.00 52.41 C ATOM 900 O ARG A 58 1.242 3.617 -14.282 1.00 1.33 O ATOM 901 CB ARG A 58 -1.746 2.542 -13.686 1.00 10.13 C ATOM 902 CG ARG A 58 -1.907 1.282 -14.518 1.00 33.44 C ATOM 903 CD ARG A 58 -1.906 1.592 -16.007 1.00 1.25 C ATOM 904 NE ARG A 58 -3.167 2.187 -16.443 1.00 54.23 N ATOM 905 CZ ARG A 58 -4.304 1.509 -16.541 1.00 24.14 C ATOM 906 NH1 ARG A 58 -4.340 0.219 -16.237 1.00 12.13 N ATOM 907 NH2 ARG A 58 -5.411 2.121 -16.945 1.00 10.11 N ATOM 0 H ARG A 58 -1.669 2.503 -11.209 1.00 10.11 H new ATOM 0 HA ARG A 58 0.122 1.673 -13.070 1.00 12.12 H new ATOM 0 HB2 ARG A 58 -2.581 2.616 -12.989 1.00 10.13 H new ATOM 0 HB3 ARG A 58 -1.802 3.410 -14.343 1.00 10.13 H new ATOM 0 HG2 ARG A 58 -1.098 0.588 -14.289 1.00 33.44 H new ATOM 0 HG3 ARG A 58 -2.839 0.784 -14.250 1.00 33.44 H new ATOM 0 HD2 ARG A 58 -1.086 2.273 -16.235 1.00 1.25 H new ATOM 0 HD3 ARG A 58 -1.725 0.675 -16.568 1.00 1.25 H new ATOM 0 HE ARG A 58 -3.174 3.178 -16.685 1.00 54.23 H new ATOM 0 HH11 ARG A 58 -3.492 -0.256 -15.927 1.00 12.13 H new ATOM 0 HH12 ARG A 58 -5.215 -0.299 -16.313 1.00 12.13 H new ATOM 0 HH21 ARG A 58 -5.388 3.113 -17.180 1.00 10.11 H new ATOM 0 HH22 ARG A 58 -6.284 1.599 -17.020 1.00 10.11 H new ATOM 921 N GLN A 59 0.201 4.933 -12.782 1.00 12.20 N ATOM 922 CA GLN A 59 0.946 6.131 -13.153 1.00 30.31 C ATOM 923 C GLN A 59 2.209 6.269 -12.310 1.00 52.03 C ATOM 924 O GLN A 59 3.252 6.699 -12.803 1.00 4.51 O ATOM 925 CB GLN A 59 0.070 7.373 -12.987 1.00 4.24 C ATOM 926 CG GLN A 59 -0.627 7.803 -14.268 1.00 12.30 C ATOM 927 CD GLN A 59 0.222 8.738 -15.108 1.00 40.50 C ATOM 928 OE1 GLN A 59 1.449 8.642 -15.117 1.00 75.32 O ATOM 929 NE2 GLN A 59 -0.430 9.651 -15.819 1.00 21.21 N ATOM 0 H GLN A 59 -0.480 5.074 -12.036 1.00 12.20 H new ATOM 0 HA GLN A 59 1.238 6.038 -14.199 1.00 30.31 H new ATOM 0 HB2 GLN A 59 -0.682 7.177 -12.222 1.00 4.24 H new ATOM 0 HB3 GLN A 59 0.686 8.196 -12.625 1.00 4.24 H new ATOM 0 HG2 GLN A 59 -0.878 6.920 -14.855 1.00 12.30 H new ATOM 0 HG3 GLN A 59 -1.566 8.297 -14.018 1.00 12.30 H new ATOM 0 HE21 GLN A 59 -1.448 9.695 -15.782 1.00 21.21 H new ATOM 0 HE22 GLN A 59 0.088 10.308 -16.402 1.00 21.21 H new ATOM 938 N ILE A 60 2.109 5.901 -11.038 1.00 65.44 N ATOM 939 CA ILE A 60 3.243 5.983 -10.127 1.00 75.02 C ATOM 940 C ILE A 60 4.369 5.053 -10.565 1.00 62.50 C ATOM 941 O ILE A 60 5.542 5.306 -10.291 1.00 52.02 O ATOM 942 CB ILE A 60 2.835 5.632 -8.684 1.00 25.42 C ATOM 943 CG1 ILE A 60 1.740 6.582 -8.195 1.00 23.13 C ATOM 944 CG2 ILE A 60 4.044 5.689 -7.762 1.00 62.12 C ATOM 945 CD1 ILE A 60 0.829 5.970 -7.154 1.00 23.23 C ATOM 0 H ILE A 60 1.253 5.543 -10.614 1.00 65.44 H new ATOM 0 HA ILE A 60 3.595 7.014 -10.155 1.00 75.02 H new ATOM 0 HB ILE A 60 2.441 4.616 -8.671 1.00 25.42 H new ATOM 0 HG12 ILE A 60 2.205 7.476 -7.779 1.00 23.13 H new ATOM 0 HG13 ILE A 60 1.141 6.902 -9.047 1.00 23.13 H new ATOM 0 HG21 ILE A 60 3.739 5.438 -6.746 1.00 62.12 H new ATOM 0 HG22 ILE A 60 4.795 4.975 -8.102 1.00 62.12 H new ATOM 0 HG23 ILE A 60 4.466 6.694 -7.777 1.00 62.12 H new ATOM 0 HD11 ILE A 60 0.077 6.700 -6.854 1.00 23.23 H new ATOM 0 HD12 ILE A 60 0.336 5.093 -7.573 1.00 23.23 H new ATOM 0 HD13 ILE A 60 1.416 5.675 -6.284 1.00 23.23 H new ATOM 957 N LEU A 61 4.004 3.975 -11.251 1.00 73.43 N ATOM 958 CA LEU A 61 4.983 3.006 -11.730 1.00 33.44 C ATOM 959 C LEU A 61 5.551 3.428 -13.082 1.00 65.35 C ATOM 960 O LEU A 61 6.666 3.053 -13.443 1.00 24.11 O ATOM 961 CB LEU A 61 4.345 1.619 -11.842 1.00 33.12 C ATOM 962 CG LEU A 61 3.933 0.962 -10.525 1.00 2.20 C ATOM 963 CD1 LEU A 61 2.736 0.047 -10.737 1.00 74.10 C ATOM 964 CD2 LEU A 61 5.098 0.189 -9.926 1.00 32.35 C ATOM 0 H LEU A 61 3.038 3.750 -11.488 1.00 73.43 H new ATOM 0 HA LEU A 61 5.800 2.966 -11.010 1.00 33.44 H new ATOM 0 HB2 LEU A 61 3.463 1.697 -12.478 1.00 33.12 H new ATOM 0 HB3 LEU A 61 5.047 0.958 -12.351 1.00 33.12 H new ATOM 0 HG LEU A 61 3.646 1.746 -9.824 1.00 2.20 H new ATOM 0 HD11 LEU A 61 2.457 -0.412 -9.789 1.00 74.10 H new ATOM 0 HD12 LEU A 61 1.897 0.628 -11.120 1.00 74.10 H new ATOM 0 HD13 LEU A 61 2.996 -0.731 -11.454 1.00 74.10 H new ATOM 0 HD21 LEU A 61 4.786 -0.272 -8.989 1.00 32.35 H new ATOM 0 HD22 LEU A 61 5.417 -0.586 -10.623 1.00 32.35 H new ATOM 0 HD23 LEU A 61 5.928 0.870 -9.736 1.00 32.35 H new ATOM 976 N GLY A 62 4.775 4.211 -13.824 1.00 5.33 N ATOM 977 CA GLY A 62 5.217 4.673 -15.127 1.00 14.41 C ATOM 978 C GLY A 62 6.341 5.688 -15.032 1.00 63.43 C ATOM 979 O GLY A 62 7.194 5.762 -15.915 1.00 0.44 O ATOM 0 H GLY A 62 3.848 4.534 -13.547 1.00 5.33 H new ATOM 0 HA2 GLY A 62 5.551 3.820 -15.718 1.00 14.41 H new ATOM 0 HA3 GLY A 62 4.374 5.117 -15.657 1.00 14.41 H new ATOM 983 N GLN A 63 6.339 6.471 -13.958 1.00 61.25 N ATOM 984 CA GLN A 63 7.363 7.487 -13.752 1.00 32.22 C ATOM 985 C GLN A 63 8.682 6.851 -13.320 1.00 5.20 C ATOM 986 O GLN A 63 9.737 7.145 -13.882 1.00 53.51 O ATOM 987 CB GLN A 63 6.904 8.500 -12.702 1.00 23.13 C ATOM 988 CG GLN A 63 6.519 9.850 -13.287 1.00 71.41 C ATOM 989 CD GLN A 63 7.644 10.862 -13.206 1.00 15.54 C ATOM 990 OE1 GLN A 63 8.146 11.166 -12.124 1.00 62.23 O ATOM 991 NE2 GLN A 63 8.047 11.392 -14.355 1.00 11.05 N ATOM 0 H GLN A 63 5.639 6.421 -13.217 1.00 61.25 H new ATOM 0 HA GLN A 63 7.522 8.003 -14.699 1.00 32.22 H new ATOM 0 HB2 GLN A 63 6.050 8.090 -12.163 1.00 23.13 H new ATOM 0 HB3 GLN A 63 7.702 8.643 -11.974 1.00 23.13 H new ATOM 0 HG2 GLN A 63 6.226 9.720 -14.329 1.00 71.41 H new ATOM 0 HG3 GLN A 63 5.648 10.237 -12.757 1.00 71.41 H new ATOM 0 HE21 GLN A 63 7.603 11.112 -15.229 1.00 11.05 H new ATOM 0 HE22 GLN A 63 8.800 12.080 -14.363 1.00 11.05 H new ATOM 1000 N LEU A 64 8.612 5.980 -12.320 1.00 42.21 N ATOM 1001 CA LEU A 64 9.800 5.303 -11.812 1.00 72.11 C ATOM 1002 C LEU A 64 10.274 4.231 -12.787 1.00 63.15 C ATOM 1003 O LEU A 64 11.445 3.850 -12.784 1.00 3.33 O ATOM 1004 CB LEU A 64 9.509 4.676 -10.447 1.00 10.13 C ATOM 1005 CG LEU A 64 8.705 5.535 -9.471 1.00 65.13 C ATOM 1006 CD1 LEU A 64 8.388 4.752 -8.207 1.00 22.42 C ATOM 1007 CD2 LEU A 64 9.462 6.811 -9.134 1.00 35.21 C ATOM 0 H LEU A 64 7.746 5.726 -11.845 1.00 42.21 H new ATOM 0 HA LEU A 64 10.592 6.044 -11.703 1.00 72.11 H new ATOM 0 HB2 LEU A 64 8.970 3.742 -10.606 1.00 10.13 H new ATOM 0 HB3 LEU A 64 10.459 4.420 -9.977 1.00 10.13 H new ATOM 0 HG LEU A 64 7.765 5.810 -9.949 1.00 65.13 H new ATOM 0 HD11 LEU A 64 7.815 5.380 -7.524 1.00 22.42 H new ATOM 0 HD12 LEU A 64 7.804 3.868 -8.463 1.00 22.42 H new ATOM 0 HD13 LEU A 64 9.317 4.446 -7.726 1.00 22.42 H new ATOM 0 HD21 LEU A 64 8.874 7.410 -8.438 1.00 35.21 H new ATOM 0 HD22 LEU A 64 10.418 6.557 -8.676 1.00 35.21 H new ATOM 0 HD23 LEU A 64 9.637 7.382 -10.046 1.00 35.21 H new ATOM 1019 N GLN A 65 9.358 3.749 -13.620 1.00 22.22 N ATOM 1020 CA GLN A 65 9.683 2.721 -14.601 1.00 23.25 C ATOM 1021 C GLN A 65 10.950 3.083 -15.370 1.00 41.52 C ATOM 1022 O GLN A 65 11.961 2.384 -15.314 1.00 71.54 O ATOM 1023 CB GLN A 65 8.519 2.529 -15.575 1.00 34.42 C ATOM 1024 CG GLN A 65 7.768 1.223 -15.375 1.00 23.12 C ATOM 1025 CD GLN A 65 8.521 0.026 -15.922 1.00 13.24 C ATOM 1026 OE1 GLN A 65 9.699 -0.171 -15.620 1.00 12.32 O ATOM 1027 NE2 GLN A 65 7.845 -0.781 -16.730 1.00 24.25 N ATOM 0 H GLN A 65 8.385 4.054 -13.635 1.00 22.22 H new ATOM 0 HA GLN A 65 9.858 1.787 -14.067 1.00 23.25 H new ATOM 0 HB2 GLN A 65 7.822 3.360 -15.464 1.00 34.42 H new ATOM 0 HB3 GLN A 65 8.900 2.567 -16.596 1.00 34.42 H new ATOM 0 HG2 GLN A 65 7.582 1.075 -14.311 1.00 23.12 H new ATOM 0 HG3 GLN A 65 6.795 1.289 -15.863 1.00 23.12 H new ATOM 0 HE21 GLN A 65 6.870 -0.580 -16.953 1.00 24.25 H new ATOM 0 HE22 GLN A 65 8.300 -1.603 -17.128 1.00 24.25 H new ATOM 1036 N PRO A 66 10.896 4.204 -16.106 1.00 70.44 N ATOM 1037 CA PRO A 66 12.031 4.685 -16.899 1.00 72.15 C ATOM 1038 C PRO A 66 13.173 5.196 -16.027 1.00 72.54 C ATOM 1039 O PRO A 66 14.208 5.629 -16.533 1.00 30.44 O ATOM 1040 CB PRO A 66 11.430 5.830 -17.718 1.00 53.42 C ATOM 1041 CG PRO A 66 10.270 6.304 -16.913 1.00 74.02 C ATOM 1042 CD PRO A 66 9.724 5.087 -16.218 1.00 2.51 C ATOM 0 HA PRO A 66 12.470 3.893 -17.505 1.00 72.15 H new ATOM 0 HB2 PRO A 66 12.156 6.628 -17.874 1.00 53.42 H new ATOM 0 HB3 PRO A 66 11.114 5.488 -18.704 1.00 53.42 H new ATOM 0 HG2 PRO A 66 10.579 7.060 -16.191 1.00 74.02 H new ATOM 0 HG3 PRO A 66 9.514 6.762 -17.550 1.00 74.02 H new ATOM 0 HD2 PRO A 66 9.312 5.334 -15.240 1.00 2.51 H new ATOM 0 HD3 PRO A 66 8.923 4.621 -16.793 1.00 2.51 H new ATOM 1050 N SER A 67 12.979 5.141 -14.713 1.00 23.44 N ATOM 1051 CA SER A 67 13.992 5.601 -13.771 1.00 64.14 C ATOM 1052 C SER A 67 14.652 4.421 -13.064 1.00 34.21 C ATOM 1053 O SER A 67 15.685 4.573 -12.409 1.00 40.30 O ATOM 1054 CB SER A 67 13.368 6.543 -12.739 1.00 31.03 C ATOM 1055 OG SER A 67 13.042 7.793 -13.322 1.00 62.21 O ATOM 0 H SER A 67 12.129 4.782 -14.277 1.00 23.44 H new ATOM 0 HA SER A 67 14.756 6.140 -14.331 1.00 64.14 H new ATOM 0 HB2 SER A 67 12.470 6.087 -12.322 1.00 31.03 H new ATOM 0 HB3 SER A 67 14.062 6.694 -11.912 1.00 31.03 H new ATOM 0 HG SER A 67 12.643 8.377 -12.643 1.00 62.21 H new ATOM 1061 N LEU A 68 14.051 3.245 -13.202 1.00 33.32 N ATOM 1062 CA LEU A 68 14.580 2.037 -12.578 1.00 33.41 C ATOM 1063 C LEU A 68 16.038 1.815 -12.969 1.00 1.12 C ATOM 1064 O LEU A 68 16.760 1.069 -12.309 1.00 2.34 O ATOM 1065 CB LEU A 68 13.742 0.822 -12.981 1.00 12.21 C ATOM 1066 CG LEU A 68 12.399 0.666 -12.267 1.00 0.42 C ATOM 1067 CD1 LEU A 68 11.488 -0.275 -13.040 1.00 13.12 C ATOM 1068 CD2 LEU A 68 12.606 0.163 -10.846 1.00 2.33 C ATOM 0 H LEU A 68 13.197 3.102 -13.741 1.00 33.32 H new ATOM 0 HA LEU A 68 14.528 2.164 -11.497 1.00 33.41 H new ATOM 0 HB2 LEU A 68 13.557 0.873 -14.054 1.00 12.21 H new ATOM 0 HB3 LEU A 68 14.332 -0.077 -12.802 1.00 12.21 H new ATOM 0 HG LEU A 68 11.920 1.644 -12.219 1.00 0.42 H new ATOM 0 HD11 LEU A 68 10.537 -0.373 -12.516 1.00 13.12 H new ATOM 0 HD12 LEU A 68 11.313 0.127 -14.038 1.00 13.12 H new ATOM 0 HD13 LEU A 68 11.960 -1.254 -13.121 1.00 13.12 H new ATOM 0 HD21 LEU A 68 11.640 0.058 -10.353 1.00 2.33 H new ATOM 0 HD22 LEU A 68 13.107 -0.805 -10.872 1.00 2.33 H new ATOM 0 HD23 LEU A 68 13.220 0.875 -10.294 1.00 2.33 H new ATOM 1080 N GLN A 69 16.462 2.470 -14.045 1.00 34.02 N ATOM 1081 CA GLN A 69 17.835 2.345 -14.522 1.00 42.30 C ATOM 1082 C GLN A 69 18.660 3.566 -14.130 1.00 0.44 C ATOM 1083 O GLN A 69 19.811 3.442 -13.710 1.00 13.31 O ATOM 1084 CB GLN A 69 17.855 2.168 -16.042 1.00 44.15 C ATOM 1085 CG GLN A 69 19.116 1.497 -16.559 1.00 32.14 C ATOM 1086 CD GLN A 69 19.199 1.498 -18.073 1.00 1.14 C ATOM 1087 OE1 GLN A 69 18.955 0.478 -18.720 1.00 54.31 O ATOM 1088 NE2 GLN A 69 19.542 2.645 -18.647 1.00 35.01 N ATOM 0 H GLN A 69 15.876 3.092 -14.602 1.00 34.02 H new ATOM 0 HA GLN A 69 18.277 1.465 -14.055 1.00 42.30 H new ATOM 0 HB2 GLN A 69 16.990 1.577 -16.342 1.00 44.15 H new ATOM 0 HB3 GLN A 69 17.753 3.145 -16.515 1.00 44.15 H new ATOM 0 HG2 GLN A 69 19.988 2.008 -16.151 1.00 32.14 H new ATOM 0 HG3 GLN A 69 19.150 0.469 -16.198 1.00 32.14 H new ATOM 0 HE21 GLN A 69 19.735 3.465 -18.072 1.00 35.01 H new ATOM 0 HE22 GLN A 69 19.612 2.706 -19.663 1.00 35.01 H new ATOM 1097 N THR A 70 18.065 4.747 -14.271 1.00 13.02 N ATOM 1098 CA THR A 70 18.746 5.991 -13.934 1.00 34.21 C ATOM 1099 C THR A 70 18.833 6.178 -12.424 1.00 70.03 C ATOM 1100 O THR A 70 19.586 7.019 -11.934 1.00 5.15 O ATOM 1101 CB THR A 70 18.030 7.208 -14.550 1.00 12.11 C ATOM 1102 OG1 THR A 70 17.270 6.802 -15.694 1.00 70.23 O ATOM 1103 CG2 THR A 70 19.034 8.277 -14.955 1.00 4.44 C ATOM 0 H THR A 70 17.113 4.868 -14.616 1.00 13.02 H new ATOM 0 HA THR A 70 19.752 5.923 -14.348 1.00 34.21 H new ATOM 0 HB THR A 70 17.360 7.627 -13.799 1.00 12.11 H new ATOM 0 HG1 THR A 70 16.817 7.581 -16.079 1.00 70.23 H new ATOM 0 HG21 THR A 70 18.506 9.127 -15.388 1.00 4.44 H new ATOM 0 HG22 THR A 70 19.591 8.604 -14.077 1.00 4.44 H new ATOM 0 HG23 THR A 70 19.725 7.867 -15.691 1.00 4.44 H new ATOM 1111 N GLY A 71 18.058 5.385 -11.688 1.00 12.14 N ATOM 1112 CA GLY A 71 18.064 5.480 -10.240 1.00 32.54 C ATOM 1113 C GLY A 71 18.856 4.363 -9.590 1.00 75.05 C ATOM 1114 O GLY A 71 19.208 3.380 -10.243 1.00 54.44 O ATOM 0 H GLY A 71 17.427 4.680 -12.069 1.00 12.14 H new ATOM 0 HA2 GLY A 71 18.486 6.440 -9.944 1.00 32.54 H new ATOM 0 HA3 GLY A 71 17.038 5.455 -9.873 1.00 32.54 H new ATOM 1118 N SER A 72 19.139 4.514 -8.299 1.00 14.23 N ATOM 1119 CA SER A 72 19.901 3.513 -7.562 1.00 0.02 C ATOM 1120 C SER A 72 18.970 2.488 -6.919 1.00 31.00 C ATOM 1121 O SER A 72 17.822 2.331 -7.333 1.00 54.10 O ATOM 1122 CB SER A 72 20.759 4.184 -6.488 1.00 34.34 C ATOM 1123 OG SER A 72 19.983 4.521 -5.352 1.00 55.23 O ATOM 0 H SER A 72 18.852 5.319 -7.743 1.00 14.23 H new ATOM 0 HA SER A 72 20.553 2.996 -8.266 1.00 0.02 H new ATOM 0 HB2 SER A 72 21.568 3.515 -6.194 1.00 34.34 H new ATOM 0 HB3 SER A 72 21.221 5.083 -6.896 1.00 34.34 H new ATOM 0 HG SER A 72 20.555 4.947 -4.680 1.00 55.23 H new ATOM 1129 N GLU A 73 19.476 1.794 -5.904 1.00 74.11 N ATOM 1130 CA GLU A 73 18.691 0.784 -5.204 1.00 13.50 C ATOM 1131 C GLU A 73 17.490 1.416 -4.507 1.00 4.30 C ATOM 1132 O GLU A 73 16.533 0.728 -4.153 1.00 2.34 O ATOM 1133 CB GLU A 73 19.560 0.049 -4.181 1.00 51.42 C ATOM 1134 CG GLU A 73 20.817 -0.559 -4.777 1.00 74.55 C ATOM 1135 CD GLU A 73 21.012 -2.008 -4.374 1.00 73.42 C ATOM 1136 OE1 GLU A 73 20.053 -2.796 -4.514 1.00 74.11 O ATOM 1137 OE2 GLU A 73 22.123 -2.353 -3.918 1.00 65.34 O ATOM 0 H GLU A 73 20.425 1.913 -5.549 1.00 74.11 H new ATOM 0 HA GLU A 73 18.327 0.068 -5.941 1.00 13.50 H new ATOM 0 HB2 GLU A 73 19.842 0.744 -3.390 1.00 51.42 H new ATOM 0 HB3 GLU A 73 18.970 -0.741 -3.716 1.00 51.42 H new ATOM 0 HG2 GLU A 73 20.769 -0.491 -5.864 1.00 74.55 H new ATOM 0 HG3 GLU A 73 21.683 0.022 -4.460 1.00 74.55 H new ATOM 1144 N GLU A 74 17.549 2.729 -4.312 1.00 2.21 N ATOM 1145 CA GLU A 74 16.467 3.454 -3.656 1.00 25.43 C ATOM 1146 C GLU A 74 15.221 3.487 -4.537 1.00 2.42 C ATOM 1147 O GLU A 74 14.096 3.377 -4.047 1.00 0.51 O ATOM 1148 CB GLU A 74 16.906 4.881 -3.321 1.00 35.50 C ATOM 1149 CG GLU A 74 17.943 4.953 -2.213 1.00 3.23 C ATOM 1150 CD GLU A 74 18.190 6.372 -1.738 1.00 34.04 C ATOM 1151 OE1 GLU A 74 18.848 7.138 -2.474 1.00 23.25 O ATOM 1152 OE2 GLU A 74 17.727 6.718 -0.631 1.00 74.44 O ATOM 0 H GLU A 74 18.335 3.313 -4.599 1.00 2.21 H new ATOM 0 HA GLU A 74 16.224 2.931 -2.731 1.00 25.43 H new ATOM 0 HB2 GLU A 74 17.312 5.348 -4.218 1.00 35.50 H new ATOM 0 HB3 GLU A 74 16.032 5.462 -3.028 1.00 35.50 H new ATOM 0 HG2 GLU A 74 17.613 4.344 -1.371 1.00 3.23 H new ATOM 0 HG3 GLU A 74 18.880 4.524 -2.569 1.00 3.23 H new ATOM 1159 N LEU A 75 15.431 3.639 -5.840 1.00 2.53 N ATOM 1160 CA LEU A 75 14.325 3.688 -6.792 1.00 54.51 C ATOM 1161 C LEU A 75 13.813 2.286 -7.104 1.00 44.14 C ATOM 1162 O LEU A 75 12.675 2.113 -7.541 1.00 14.02 O ATOM 1163 CB LEU A 75 14.768 4.381 -8.082 1.00 21.45 C ATOM 1164 CG LEU A 75 13.654 4.999 -8.929 1.00 73.53 C ATOM 1165 CD1 LEU A 75 13.979 6.446 -9.263 1.00 41.12 C ATOM 1166 CD2 LEU A 75 13.442 4.191 -10.201 1.00 4.14 C ATOM 0 H LEU A 75 16.355 3.730 -6.262 1.00 2.53 H new ATOM 0 HA LEU A 75 13.513 4.259 -6.340 1.00 54.51 H new ATOM 0 HB2 LEU A 75 15.479 5.166 -7.823 1.00 21.45 H new ATOM 0 HB3 LEU A 75 15.303 3.656 -8.695 1.00 21.45 H new ATOM 0 HG LEU A 75 12.730 4.980 -8.351 1.00 73.53 H new ATOM 0 HD11 LEU A 75 13.176 6.870 -9.866 1.00 41.12 H new ATOM 0 HD12 LEU A 75 14.081 7.018 -8.341 1.00 41.12 H new ATOM 0 HD13 LEU A 75 14.914 6.489 -9.822 1.00 41.12 H new ATOM 0 HD21 LEU A 75 12.646 4.645 -10.792 1.00 4.14 H new ATOM 0 HD22 LEU A 75 14.364 4.179 -10.782 1.00 4.14 H new ATOM 0 HD23 LEU A 75 13.164 3.170 -9.941 1.00 4.14 H new ATOM 1178 N ARG A 76 14.658 1.287 -6.872 1.00 55.23 N ATOM 1179 CA ARG A 76 14.290 -0.100 -7.127 1.00 34.01 C ATOM 1180 C ARG A 76 13.471 -0.666 -5.971 1.00 33.00 C ATOM 1181 O ARG A 76 12.636 -1.550 -6.163 1.00 75.21 O ATOM 1182 CB ARG A 76 15.544 -0.951 -7.343 1.00 13.24 C ATOM 1183 CG ARG A 76 15.708 -1.441 -8.773 1.00 0.10 C ATOM 1184 CD ARG A 76 17.160 -1.764 -9.087 1.00 31.34 C ATOM 1185 NE ARG A 76 17.300 -3.053 -9.759 1.00 1.13 N ATOM 1186 CZ ARG A 76 17.276 -4.220 -9.125 1.00 53.14 C ATOM 1187 NH1 ARG A 76 17.118 -4.259 -7.809 1.00 61.04 N ATOM 1188 NH2 ARG A 76 17.410 -5.350 -9.806 1.00 22.13 N ATOM 0 H ARG A 76 15.602 1.413 -6.508 1.00 55.23 H new ATOM 0 HA ARG A 76 13.680 -0.128 -8.030 1.00 34.01 H new ATOM 0 HB2 ARG A 76 16.421 -0.367 -7.065 1.00 13.24 H new ATOM 0 HB3 ARG A 76 15.509 -1.811 -6.675 1.00 13.24 H new ATOM 0 HG2 ARG A 76 15.095 -2.329 -8.927 1.00 0.10 H new ATOM 0 HG3 ARG A 76 15.346 -0.680 -9.464 1.00 0.10 H new ATOM 0 HD2 ARG A 76 17.578 -0.979 -9.717 1.00 31.34 H new ATOM 0 HD3 ARG A 76 17.738 -1.772 -8.163 1.00 31.34 H new ATOM 0 HE ARG A 76 17.423 -3.057 -10.772 1.00 1.13 H new ATOM 0 HH11 ARG A 76 17.015 -3.392 -7.282 1.00 61.04 H new ATOM 0 HH12 ARG A 76 17.100 -5.156 -7.324 1.00 61.04 H new ATOM 0 HH21 ARG A 76 17.532 -5.324 -10.818 1.00 22.13 H new ATOM 0 HH22 ARG A 76 17.391 -6.245 -9.317 1.00 22.13 H new ATOM 1202 N SER A 77 13.718 -0.152 -4.770 1.00 24.23 N ATOM 1203 CA SER A 77 13.007 -0.609 -3.582 1.00 3.14 C ATOM 1204 C SER A 77 11.539 -0.193 -3.633 1.00 13.32 C ATOM 1205 O SER A 77 10.659 -0.918 -3.170 1.00 73.40 O ATOM 1206 CB SER A 77 13.665 -0.048 -2.321 1.00 43.11 C ATOM 1207 OG SER A 77 14.796 -0.815 -1.951 1.00 75.14 O ATOM 0 H SER A 77 14.405 0.581 -4.594 1.00 24.23 H new ATOM 0 HA SER A 77 13.057 -1.698 -3.555 1.00 3.14 H new ATOM 0 HB2 SER A 77 13.964 0.986 -2.492 1.00 43.11 H new ATOM 0 HB3 SER A 77 12.944 -0.040 -1.504 1.00 43.11 H new ATOM 0 HG SER A 77 15.564 -0.552 -2.500 1.00 75.14 H new ATOM 1213 N LEU A 78 11.284 0.981 -4.199 1.00 13.32 N ATOM 1214 CA LEU A 78 9.924 1.497 -4.312 1.00 13.44 C ATOM 1215 C LEU A 78 9.116 0.685 -5.319 1.00 65.40 C ATOM 1216 O LEU A 78 8.046 0.166 -4.997 1.00 13.44 O ATOM 1217 CB LEU A 78 9.948 2.968 -4.729 1.00 1.12 C ATOM 1218 CG LEU A 78 9.634 3.984 -3.630 1.00 64.54 C ATOM 1219 CD1 LEU A 78 8.301 3.662 -2.973 1.00 42.32 C ATOM 1220 CD2 LEU A 78 10.749 4.010 -2.594 1.00 4.02 C ATOM 0 H LEU A 78 12.001 1.594 -4.587 1.00 13.32 H new ATOM 0 HA LEU A 78 9.447 1.410 -3.336 1.00 13.44 H new ATOM 0 HB2 LEU A 78 10.935 3.194 -5.133 1.00 1.12 H new ATOM 0 HB3 LEU A 78 9.232 3.107 -5.539 1.00 1.12 H new ATOM 0 HG LEU A 78 9.564 4.973 -4.083 1.00 64.54 H new ATOM 0 HD11 LEU A 78 8.093 4.395 -2.193 1.00 42.32 H new ATOM 0 HD12 LEU A 78 7.509 3.694 -3.722 1.00 42.32 H new ATOM 0 HD13 LEU A 78 8.344 2.666 -2.533 1.00 42.32 H new ATOM 0 HD21 LEU A 78 10.509 4.738 -1.819 1.00 4.02 H new ATOM 0 HD22 LEU A 78 10.851 3.022 -2.144 1.00 4.02 H new ATOM 0 HD23 LEU A 78 11.687 4.288 -3.075 1.00 4.02 H new ATOM 1232 N TYR A 79 9.635 0.576 -6.537 1.00 41.41 N ATOM 1233 CA TYR A 79 8.961 -0.173 -7.591 1.00 51.15 C ATOM 1234 C TYR A 79 8.519 -1.544 -7.087 1.00 73.31 C ATOM 1235 O TYR A 79 7.417 -2.001 -7.386 1.00 73.43 O ATOM 1236 CB TYR A 79 9.883 -0.335 -8.799 1.00 32.25 C ATOM 1237 CG TYR A 79 9.143 -0.525 -10.105 1.00 54.32 C ATOM 1238 CD1 TYR A 79 8.381 0.502 -10.648 1.00 44.12 C ATOM 1239 CD2 TYR A 79 9.207 -1.729 -10.794 1.00 41.33 C ATOM 1240 CE1 TYR A 79 7.702 0.333 -11.840 1.00 50.45 C ATOM 1241 CE2 TYR A 79 8.533 -1.906 -11.987 1.00 42.04 C ATOM 1242 CZ TYR A 79 7.782 -0.872 -12.505 1.00 23.04 C ATOM 1243 OH TYR A 79 7.108 -1.045 -13.693 1.00 11.11 O ATOM 0 H TYR A 79 10.520 0.997 -6.819 1.00 41.41 H new ATOM 0 HA TYR A 79 8.075 0.387 -7.891 1.00 51.15 H new ATOM 0 HB2 TYR A 79 10.522 0.544 -8.878 1.00 32.25 H new ATOM 0 HB3 TYR A 79 10.537 -1.191 -8.634 1.00 32.25 H new ATOM 0 HD1 TYR A 79 8.318 1.448 -10.130 1.00 44.12 H new ATOM 0 HD2 TYR A 79 9.794 -2.541 -10.390 1.00 41.33 H new ATOM 0 HE1 TYR A 79 7.112 1.140 -12.248 1.00 50.45 H new ATOM 0 HE2 TYR A 79 8.594 -2.849 -12.511 1.00 42.04 H new ATOM 0 HH TYR A 79 7.270 -1.950 -14.032 1.00 11.11 H new ATOM 1253 N ASN A 80 9.388 -2.193 -6.319 1.00 31.25 N ATOM 1254 CA ASN A 80 9.089 -3.512 -5.773 1.00 73.41 C ATOM 1255 C ASN A 80 7.926 -3.443 -4.789 1.00 44.41 C ATOM 1256 O ASN A 80 7.193 -4.415 -4.605 1.00 22.50 O ATOM 1257 CB ASN A 80 10.323 -4.092 -5.079 1.00 31.44 C ATOM 1258 CG ASN A 80 11.248 -4.806 -6.047 1.00 63.21 C ATOM 1259 OD1 ASN A 80 11.591 -4.273 -7.103 1.00 51.14 O ATOM 1260 ND2 ASN A 80 11.656 -6.019 -5.690 1.00 4.44 N ATOM 0 H ASN A 80 10.304 -1.827 -6.061 1.00 31.25 H new ATOM 0 HA ASN A 80 8.805 -4.163 -6.600 1.00 73.41 H new ATOM 0 HB2 ASN A 80 10.869 -3.289 -4.584 1.00 31.44 H new ATOM 0 HB3 ASN A 80 10.006 -4.788 -4.302 1.00 31.44 H new ATOM 0 HD21 ASN A 80 12.279 -6.548 -6.301 1.00 4.44 H new ATOM 0 HD22 ASN A 80 11.346 -6.421 -4.805 1.00 4.44 H new ATOM 1267 N THR A 81 7.760 -2.284 -4.158 1.00 23.33 N ATOM 1268 CA THR A 81 6.686 -2.086 -3.192 1.00 34.44 C ATOM 1269 C THR A 81 5.409 -1.617 -3.880 1.00 41.41 C ATOM 1270 O THR A 81 4.397 -2.320 -3.876 1.00 53.22 O ATOM 1271 CB THR A 81 7.082 -1.060 -2.114 1.00 12.20 C ATOM 1272 OG1 THR A 81 8.349 -1.410 -1.546 1.00 63.22 O ATOM 1273 CG2 THR A 81 6.030 -0.993 -1.018 1.00 45.33 C ATOM 0 H THR A 81 8.356 -1.468 -4.299 1.00 23.33 H new ATOM 0 HA THR A 81 6.506 -3.050 -2.716 1.00 34.44 H new ATOM 0 HB THR A 81 7.155 -0.080 -2.586 1.00 12.20 H new ATOM 0 HG1 THR A 81 9.063 -1.202 -2.185 1.00 63.22 H new ATOM 0 HG21 THR A 81 6.332 -0.262 -0.268 1.00 45.33 H new ATOM 0 HG22 THR A 81 5.074 -0.697 -1.449 1.00 45.33 H new ATOM 0 HG23 THR A 81 5.929 -1.972 -0.550 1.00 45.33 H new ATOM 1281 N ILE A 82 5.461 -0.427 -4.469 1.00 73.14 N ATOM 1282 CA ILE A 82 4.308 0.134 -5.162 1.00 43.23 C ATOM 1283 C ILE A 82 3.655 -0.902 -6.070 1.00 1.31 C ATOM 1284 O ILE A 82 2.432 -0.945 -6.201 1.00 52.11 O ATOM 1285 CB ILE A 82 4.700 1.364 -6.002 1.00 24.00 C ATOM 1286 CG1 ILE A 82 5.314 2.444 -5.110 1.00 72.03 C ATOM 1287 CG2 ILE A 82 3.487 1.907 -6.741 1.00 1.15 C ATOM 1288 CD1 ILE A 82 6.520 3.121 -5.723 1.00 65.42 C ATOM 0 H ILE A 82 6.290 0.167 -4.480 1.00 73.14 H new ATOM 0 HA ILE A 82 3.597 0.440 -4.395 1.00 43.23 H new ATOM 0 HB ILE A 82 5.445 1.061 -6.738 1.00 24.00 H new ATOM 0 HG12 ILE A 82 4.557 3.197 -4.892 1.00 72.03 H new ATOM 0 HG13 ILE A 82 5.603 1.997 -4.159 1.00 72.03 H new ATOM 0 HG21 ILE A 82 3.779 2.776 -7.330 1.00 1.15 H new ATOM 0 HG22 ILE A 82 3.089 1.137 -7.402 1.00 1.15 H new ATOM 0 HG23 ILE A 82 2.722 2.198 -6.021 1.00 1.15 H new ATOM 0 HD11 ILE A 82 6.903 3.875 -5.035 1.00 65.42 H new ATOM 0 HD12 ILE A 82 7.295 2.379 -5.916 1.00 65.42 H new ATOM 0 HD13 ILE A 82 6.232 3.598 -6.660 1.00 65.42 H new ATOM 1300 N ALA A 83 4.480 -1.737 -6.694 1.00 61.50 N ATOM 1301 CA ALA A 83 3.982 -2.776 -7.588 1.00 53.02 C ATOM 1302 C ALA A 83 3.036 -3.722 -6.857 1.00 43.03 C ATOM 1303 O ALA A 83 1.968 -4.063 -7.365 1.00 40.15 O ATOM 1304 CB ALA A 83 5.143 -3.551 -8.194 1.00 42.10 C ATOM 0 H ALA A 83 5.495 -1.714 -6.597 1.00 61.50 H new ATOM 0 HA ALA A 83 3.423 -2.294 -8.390 1.00 53.02 H new ATOM 0 HB1 ALA A 83 4.757 -4.323 -8.859 1.00 42.10 H new ATOM 0 HB2 ALA A 83 5.779 -2.870 -8.759 1.00 42.10 H new ATOM 0 HB3 ALA A 83 5.725 -4.015 -7.398 1.00 42.10 H new ATOM 1310 N VAL A 84 3.436 -4.145 -5.662 1.00 42.31 N ATOM 1311 CA VAL A 84 2.623 -5.051 -4.860 1.00 62.23 C ATOM 1312 C VAL A 84 1.217 -4.498 -4.660 1.00 21.51 C ATOM 1313 O VAL A 84 0.234 -5.241 -4.699 1.00 54.24 O ATOM 1314 CB VAL A 84 3.262 -5.309 -3.482 1.00 31.14 C ATOM 1315 CG1 VAL A 84 2.343 -6.160 -2.619 1.00 55.44 C ATOM 1316 CG2 VAL A 84 4.622 -5.972 -3.642 1.00 45.20 C ATOM 0 H VAL A 84 4.319 -3.874 -5.228 1.00 42.31 H new ATOM 0 HA VAL A 84 2.566 -5.992 -5.408 1.00 62.23 H new ATOM 0 HB VAL A 84 3.407 -4.351 -2.982 1.00 31.14 H new ATOM 0 HG11 VAL A 84 2.811 -6.332 -1.650 1.00 55.44 H new ATOM 0 HG12 VAL A 84 1.394 -5.642 -2.478 1.00 55.44 H new ATOM 0 HG13 VAL A 84 2.165 -7.116 -3.111 1.00 55.44 H new ATOM 0 HG21 VAL A 84 5.059 -6.147 -2.659 1.00 45.20 H new ATOM 0 HG22 VAL A 84 4.504 -6.923 -4.161 1.00 45.20 H new ATOM 0 HG23 VAL A 84 5.278 -5.322 -4.220 1.00 45.20 H new ATOM 1326 N LEU A 85 1.126 -3.190 -4.447 1.00 33.30 N ATOM 1327 CA LEU A 85 -0.161 -2.535 -4.242 1.00 53.02 C ATOM 1328 C LEU A 85 -1.009 -2.592 -5.509 1.00 72.13 C ATOM 1329 O LEU A 85 -2.166 -3.012 -5.475 1.00 24.13 O ATOM 1330 CB LEU A 85 0.047 -1.080 -3.818 1.00 64.44 C ATOM 1331 CG LEU A 85 -1.207 -0.205 -3.787 1.00 61.44 C ATOM 1332 CD1 LEU A 85 -2.275 -0.833 -2.905 1.00 63.33 C ATOM 1333 CD2 LEU A 85 -0.867 1.196 -3.300 1.00 42.43 C ATOM 0 H LEU A 85 1.929 -2.562 -4.412 1.00 33.30 H new ATOM 0 HA LEU A 85 -0.689 -3.066 -3.450 1.00 53.02 H new ATOM 0 HB2 LEU A 85 0.496 -1.072 -2.825 1.00 64.44 H new ATOM 0 HB3 LEU A 85 0.768 -0.624 -4.497 1.00 64.44 H new ATOM 0 HG LEU A 85 -1.600 -0.131 -4.801 1.00 61.44 H new ATOM 0 HD11 LEU A 85 -3.160 -0.196 -2.895 1.00 63.33 H new ATOM 0 HD12 LEU A 85 -2.539 -1.815 -3.297 1.00 63.33 H new ATOM 0 HD13 LEU A 85 -1.893 -0.938 -1.890 1.00 63.33 H new ATOM 0 HD21 LEU A 85 -1.771 1.805 -3.284 1.00 42.43 H new ATOM 0 HD22 LEU A 85 -0.449 1.140 -2.295 1.00 42.43 H new ATOM 0 HD23 LEU A 85 -0.137 1.648 -3.972 1.00 42.43 H new ATOM 1345 N TYR A 86 -0.425 -2.169 -6.624 1.00 3.30 N ATOM 1346 CA TYR A 86 -1.127 -2.171 -7.902 1.00 4.25 C ATOM 1347 C TYR A 86 -1.854 -3.494 -8.123 1.00 72.02 C ATOM 1348 O TYR A 86 -3.051 -3.518 -8.412 1.00 10.33 O ATOM 1349 CB TYR A 86 -0.145 -1.919 -9.048 1.00 0.30 C ATOM 1350 CG TYR A 86 -0.740 -2.154 -10.418 1.00 23.11 C ATOM 1351 CD1 TYR A 86 -1.798 -1.380 -10.879 1.00 24.14 C ATOM 1352 CD2 TYR A 86 -0.243 -3.148 -11.252 1.00 62.24 C ATOM 1353 CE1 TYR A 86 -2.345 -1.592 -12.130 1.00 5.24 C ATOM 1354 CE2 TYR A 86 -0.783 -3.365 -12.505 1.00 61.33 C ATOM 1355 CZ TYR A 86 -1.834 -2.586 -12.939 1.00 52.41 C ATOM 1356 OH TYR A 86 -2.375 -2.799 -14.186 1.00 54.53 O ATOM 0 H TYR A 86 0.533 -1.820 -6.669 1.00 3.30 H new ATOM 0 HA TYR A 86 -1.866 -1.370 -7.882 1.00 4.25 H new ATOM 0 HB2 TYR A 86 0.214 -0.892 -8.988 1.00 0.30 H new ATOM 0 HB3 TYR A 86 0.722 -2.567 -8.922 1.00 0.30 H new ATOM 0 HD1 TYR A 86 -2.199 -0.600 -10.249 1.00 24.14 H new ATOM 0 HD2 TYR A 86 0.579 -3.761 -10.915 1.00 62.24 H new ATOM 0 HE1 TYR A 86 -3.168 -0.983 -12.473 1.00 5.24 H new ATOM 0 HE2 TYR A 86 -0.384 -4.141 -13.141 1.00 61.33 H new ATOM 0 HH TYR A 86 -1.880 -3.513 -14.640 1.00 54.53 H new ATOM 1366 N CYS A 87 -1.122 -4.594 -7.982 1.00 71.00 N ATOM 1367 CA CYS A 87 -1.695 -5.923 -8.165 1.00 12.15 C ATOM 1368 C CYS A 87 -2.767 -6.202 -7.117 1.00 53.31 C ATOM 1369 O CYS A 87 -3.771 -6.854 -7.398 1.00 22.22 O ATOM 1370 CB CYS A 87 -0.601 -6.988 -8.091 1.00 55.33 C ATOM 1371 SG CYS A 87 0.269 -7.264 -9.652 1.00 21.43 S ATOM 0 H CYS A 87 -0.131 -4.592 -7.742 1.00 71.00 H new ATOM 0 HA CYS A 87 -2.159 -5.959 -9.151 1.00 12.15 H new ATOM 0 HB2 CYS A 87 0.123 -6.697 -7.330 1.00 55.33 H new ATOM 0 HB3 CYS A 87 -1.046 -7.928 -7.764 1.00 55.33 H new ATOM 0 HG CYS A 87 1.176 -8.180 -9.487 1.00 21.43 H new ATOM 1377 N VAL A 88 -2.543 -5.705 -5.904 1.00 61.14 N ATOM 1378 CA VAL A 88 -3.489 -5.902 -4.811 1.00 30.34 C ATOM 1379 C VAL A 88 -4.840 -5.273 -5.134 1.00 53.41 C ATOM 1380 O VAL A 88 -5.886 -5.780 -4.729 1.00 71.34 O ATOM 1381 CB VAL A 88 -2.957 -5.304 -3.495 1.00 3.23 C ATOM 1382 CG1 VAL A 88 -4.081 -5.171 -2.478 1.00 54.24 C ATOM 1383 CG2 VAL A 88 -1.824 -6.156 -2.943 1.00 24.02 C ATOM 0 H VAL A 88 -1.716 -5.164 -5.654 1.00 61.14 H new ATOM 0 HA VAL A 88 -3.613 -6.978 -4.688 1.00 30.34 H new ATOM 0 HB VAL A 88 -2.564 -4.308 -3.700 1.00 3.23 H new ATOM 0 HG11 VAL A 88 -3.688 -4.747 -1.554 1.00 54.24 H new ATOM 0 HG12 VAL A 88 -4.856 -4.517 -2.876 1.00 54.24 H new ATOM 0 HG13 VAL A 88 -4.505 -6.154 -2.274 1.00 54.24 H new ATOM 0 HG21 VAL A 88 -1.460 -5.719 -2.013 1.00 24.02 H new ATOM 0 HG22 VAL A 88 -2.188 -7.165 -2.752 1.00 24.02 H new ATOM 0 HG23 VAL A 88 -1.011 -6.195 -3.668 1.00 24.02 H new ATOM 1393 N HIS A 89 -4.810 -4.164 -5.866 1.00 43.41 N ATOM 1394 CA HIS A 89 -6.033 -3.463 -6.245 1.00 60.32 C ATOM 1395 C HIS A 89 -6.694 -4.137 -7.444 1.00 30.21 C ATOM 1396 O HIS A 89 -7.923 -4.108 -7.502 1.00 0.13 O ATOM 1397 CB HIS A 89 -5.729 -2.001 -6.572 1.00 74.22 C ATOM 1398 CG HIS A 89 -5.610 -1.129 -5.359 1.00 24.22 C ATOM 1399 ND1 HIS A 89 -6.541 -1.125 -4.342 1.00 51.50 N ATOM 1400 CD2 HIS A 89 -4.663 -0.231 -5.003 1.00 32.35 C ATOM 1401 CE1 HIS A 89 -6.171 -0.260 -3.414 1.00 4.20 C ATOM 1402 NE2 HIS A 89 -5.033 0.296 -3.791 1.00 25.52 N ATOM 0 H HIS A 89 -3.953 -3.731 -6.209 1.00 43.41 H new ATOM 0 HA HIS A 89 -6.721 -3.502 -5.401 1.00 60.32 H new ATOM 0 HB2 HIS A 89 -4.800 -1.950 -7.139 1.00 74.22 H new ATOM 0 HB3 HIS A 89 -6.517 -1.609 -7.215 1.00 74.22 H new ATOM 0 HD1 HIS A 89 -7.383 -1.700 -4.311 1.00 51.50 H new ATOM 0 HD2 HIS A 89 -3.779 0.024 -5.568 1.00 32.35 H new ATOM 0 HE1 HIS A 89 -6.708 -0.044 -2.502 1.00 4.20 H new ATOM 0 HE2 HIS A 89 -4.515 1.001 -3.267 1.00 25.52 H new ATOM 1411 N GLN A 90 -5.939 -4.723 -8.369 1.00 54.12 N ATOM 1412 CA GLN A 90 -6.527 -5.377 -9.532 1.00 74.44 C ATOM 1413 C GLN A 90 -6.911 -6.817 -9.208 1.00 74.52 C ATOM 1414 O GLN A 90 -7.096 -7.637 -10.108 1.00 31.31 O ATOM 1415 CB GLN A 90 -5.548 -5.350 -10.707 1.00 11.55 C ATOM 1416 CG GLN A 90 -6.018 -4.489 -11.869 1.00 21.43 C ATOM 1417 CD GLN A 90 -7.039 -5.195 -12.741 1.00 11.25 C ATOM 1418 OE1 GLN A 90 -7.023 -6.419 -12.869 1.00 70.21 O ATOM 1419 NE2 GLN A 90 -7.934 -4.423 -13.347 1.00 11.12 N ATOM 0 H GLN A 90 -4.920 -4.758 -8.335 1.00 54.12 H new ATOM 0 HA GLN A 90 -7.430 -4.832 -9.808 1.00 74.44 H new ATOM 0 HB2 GLN A 90 -4.584 -4.980 -10.358 1.00 11.55 H new ATOM 0 HB3 GLN A 90 -5.389 -6.369 -11.061 1.00 11.55 H new ATOM 0 HG2 GLN A 90 -6.452 -3.567 -11.481 1.00 21.43 H new ATOM 0 HG3 GLN A 90 -5.159 -4.206 -12.478 1.00 21.43 H new ATOM 0 HE21 GLN A 90 -7.910 -3.412 -13.212 1.00 11.12 H new ATOM 0 HE22 GLN A 90 -8.645 -4.841 -13.947 1.00 11.12 H new ATOM 1428 N ARG A 91 -7.028 -7.119 -7.920 1.00 54.35 N ATOM 1429 CA ARG A 91 -7.388 -8.460 -7.478 1.00 62.51 C ATOM 1430 C ARG A 91 -6.377 -9.488 -7.979 1.00 71.33 C ATOM 1431 O ARG A 91 -6.737 -10.619 -8.305 1.00 72.35 O ATOM 1432 CB ARG A 91 -8.789 -8.825 -7.974 1.00 43.22 C ATOM 1433 CG ARG A 91 -9.852 -7.804 -7.599 1.00 21.05 C ATOM 1434 CD ARG A 91 -10.447 -7.142 -8.832 1.00 44.31 C ATOM 1435 NE ARG A 91 -11.748 -7.706 -9.182 1.00 23.31 N ATOM 1436 CZ ARG A 91 -12.357 -7.486 -10.342 1.00 52.52 C ATOM 1437 NH1 ARG A 91 -11.785 -6.718 -11.259 1.00 13.20 N ATOM 1438 NH2 ARG A 91 -13.540 -8.034 -10.586 1.00 11.22 N ATOM 0 H ARG A 91 -6.878 -6.452 -7.163 1.00 54.35 H new ATOM 0 HA ARG A 91 -7.381 -8.469 -6.388 1.00 62.51 H new ATOM 0 HB2 ARG A 91 -8.765 -8.931 -9.059 1.00 43.22 H new ATOM 0 HB3 ARG A 91 -9.069 -9.796 -7.565 1.00 43.22 H new ATOM 0 HG2 ARG A 91 -10.643 -8.293 -7.030 1.00 21.05 H new ATOM 0 HG3 ARG A 91 -9.416 -7.044 -6.951 1.00 21.05 H new ATOM 0 HD2 ARG A 91 -10.552 -6.072 -8.654 1.00 44.31 H new ATOM 0 HD3 ARG A 91 -9.763 -7.260 -9.672 1.00 44.31 H new ATOM 0 HE ARG A 91 -12.215 -8.302 -8.498 1.00 23.31 H new ATOM 0 HH11 ARG A 91 -10.875 -6.295 -11.075 1.00 13.20 H new ATOM 0 HH12 ARG A 91 -12.254 -6.551 -12.149 1.00 13.20 H new ATOM 0 HH21 ARG A 91 -13.983 -8.625 -9.883 1.00 11.22 H new ATOM 0 HH22 ARG A 91 -14.007 -7.864 -11.477 1.00 11.22 H new ATOM 1452 N ILE A 92 -5.112 -9.085 -8.038 1.00 20.54 N ATOM 1453 CA ILE A 92 -4.050 -9.970 -8.499 1.00 74.52 C ATOM 1454 C ILE A 92 -3.272 -10.554 -7.324 1.00 43.44 C ATOM 1455 O ILE A 92 -2.636 -9.823 -6.565 1.00 72.05 O ATOM 1456 CB ILE A 92 -3.071 -9.236 -9.434 1.00 63.41 C ATOM 1457 CG1 ILE A 92 -3.815 -8.681 -10.651 1.00 54.20 C ATOM 1458 CG2 ILE A 92 -1.954 -10.172 -9.871 1.00 40.12 C ATOM 1459 CD1 ILE A 92 -2.926 -7.909 -11.601 1.00 21.14 C ATOM 0 H ILE A 92 -4.798 -8.152 -7.772 1.00 20.54 H new ATOM 0 HA ILE A 92 -4.530 -10.778 -9.051 1.00 74.52 H new ATOM 0 HB ILE A 92 -2.628 -8.402 -8.890 1.00 63.41 H new ATOM 0 HG12 ILE A 92 -4.280 -9.506 -11.190 1.00 54.20 H new ATOM 0 HG13 ILE A 92 -4.620 -8.030 -10.309 1.00 54.20 H new ATOM 0 HG21 ILE A 92 -1.270 -9.639 -10.531 1.00 40.12 H new ATOM 0 HG22 ILE A 92 -1.411 -10.525 -8.994 1.00 40.12 H new ATOM 0 HG23 ILE A 92 -2.380 -11.024 -10.401 1.00 40.12 H new ATOM 0 HD11 ILE A 92 -3.519 -7.545 -12.440 1.00 21.14 H new ATOM 0 HD12 ILE A 92 -2.481 -7.063 -11.077 1.00 21.14 H new ATOM 0 HD13 ILE A 92 -2.136 -8.562 -11.972 1.00 21.14 H new ATOM 1471 N ASP A 93 -3.326 -11.872 -7.182 1.00 64.33 N ATOM 1472 CA ASP A 93 -2.625 -12.555 -6.101 1.00 70.15 C ATOM 1473 C ASP A 93 -1.313 -13.154 -6.598 1.00 11.13 C ATOM 1474 O ASP A 93 -1.307 -14.043 -7.450 1.00 4.44 O ATOM 1475 CB ASP A 93 -3.507 -13.652 -5.504 1.00 31.33 C ATOM 1476 CG ASP A 93 -4.914 -13.170 -5.212 1.00 1.44 C ATOM 1477 OD1 ASP A 93 -5.076 -12.331 -4.301 1.00 23.23 O ATOM 1478 OD2 ASP A 93 -5.853 -13.630 -5.895 1.00 21.33 O ATOM 0 H ASP A 93 -3.848 -12.491 -7.802 1.00 64.33 H new ATOM 0 HA ASP A 93 -2.399 -11.821 -5.327 1.00 70.15 H new ATOM 0 HB2 ASP A 93 -3.551 -14.494 -6.194 1.00 31.33 H new ATOM 0 HB3 ASP A 93 -3.053 -14.018 -4.583 1.00 31.33 H new ATOM 1483 N VAL A 94 -0.201 -12.661 -6.060 1.00 61.10 N ATOM 1484 CA VAL A 94 1.117 -13.147 -6.449 1.00 63.45 C ATOM 1485 C VAL A 94 1.681 -14.102 -5.403 1.00 70.11 C ATOM 1486 O VAL A 94 1.098 -14.285 -4.334 1.00 41.54 O ATOM 1487 CB VAL A 94 2.106 -11.985 -6.653 1.00 42.31 C ATOM 1488 CG1 VAL A 94 1.654 -11.094 -7.800 1.00 71.40 C ATOM 1489 CG2 VAL A 94 2.255 -11.182 -5.370 1.00 54.32 C ATOM 0 H VAL A 94 -0.188 -11.925 -5.354 1.00 61.10 H new ATOM 0 HA VAL A 94 0.993 -13.678 -7.393 1.00 63.45 H new ATOM 0 HB VAL A 94 3.080 -12.401 -6.910 1.00 42.31 H new ATOM 0 HG11 VAL A 94 2.365 -10.278 -7.929 1.00 71.40 H new ATOM 0 HG12 VAL A 94 1.603 -11.680 -8.718 1.00 71.40 H new ATOM 0 HG13 VAL A 94 0.669 -10.684 -7.576 1.00 71.40 H new ATOM 0 HG21 VAL A 94 2.958 -10.365 -5.532 1.00 54.32 H new ATOM 0 HG22 VAL A 94 1.286 -10.776 -5.081 1.00 54.32 H new ATOM 0 HG23 VAL A 94 2.628 -11.830 -4.577 1.00 54.32 H new ATOM 1499 N LYS A 95 2.819 -14.711 -5.717 1.00 34.34 N ATOM 1500 CA LYS A 95 3.464 -15.647 -4.805 1.00 54.10 C ATOM 1501 C LYS A 95 4.555 -14.953 -3.996 1.00 42.44 C ATOM 1502 O LYS A 95 5.084 -15.516 -3.036 1.00 4.23 O ATOM 1503 CB LYS A 95 4.063 -16.821 -5.585 1.00 43.54 C ATOM 1504 CG LYS A 95 3.060 -17.918 -5.895 1.00 2.25 C ATOM 1505 CD LYS A 95 2.276 -17.614 -7.161 1.00 64.11 C ATOM 1506 CE LYS A 95 0.865 -18.178 -7.092 1.00 12.42 C ATOM 1507 NZ LYS A 95 -0.084 -17.402 -7.938 1.00 61.23 N ATOM 0 H LYS A 95 3.314 -14.573 -6.598 1.00 34.34 H new ATOM 0 HA LYS A 95 2.708 -16.024 -4.116 1.00 54.10 H new ATOM 0 HB2 LYS A 95 4.483 -16.449 -6.520 1.00 43.54 H new ATOM 0 HB3 LYS A 95 4.887 -17.245 -5.011 1.00 43.54 H new ATOM 0 HG2 LYS A 95 3.582 -18.868 -6.008 1.00 2.25 H new ATOM 0 HG3 LYS A 95 2.371 -18.030 -5.057 1.00 2.25 H new ATOM 0 HD2 LYS A 95 2.231 -16.535 -7.312 1.00 64.11 H new ATOM 0 HD3 LYS A 95 2.796 -18.035 -8.022 1.00 64.11 H new ATOM 0 HE2 LYS A 95 0.873 -19.219 -7.416 1.00 12.42 H new ATOM 0 HE3 LYS A 95 0.520 -18.169 -6.058 1.00 12.42 H new ATOM 0 HZ1 LYS A 95 -1.035 -17.817 -7.864 1.00 61.23 H new ATOM 0 HZ2 LYS A 95 -0.111 -16.415 -7.613 1.00 61.23 H new ATOM 0 HZ3 LYS A 95 0.230 -17.431 -8.929 1.00 61.23 H new ATOM 1521 N ASP A 96 4.886 -13.727 -4.386 1.00 54.21 N ATOM 1522 CA ASP A 96 5.912 -12.955 -3.695 1.00 70.14 C ATOM 1523 C ASP A 96 6.132 -11.609 -4.379 1.00 73.23 C ATOM 1524 O ASP A 96 5.490 -11.297 -5.382 1.00 5.10 O ATOM 1525 CB ASP A 96 7.225 -13.738 -3.647 1.00 23.42 C ATOM 1526 CG ASP A 96 7.442 -14.580 -4.889 1.00 42.12 C ATOM 1527 OD1 ASP A 96 7.527 -14.001 -5.993 1.00 51.45 O ATOM 1528 OD2 ASP A 96 7.528 -15.819 -4.758 1.00 4.11 O ATOM 0 H ASP A 96 4.458 -13.246 -5.177 1.00 54.21 H new ATOM 0 HA ASP A 96 5.570 -12.773 -2.676 1.00 70.14 H new ATOM 0 HB2 ASP A 96 8.056 -13.042 -3.534 1.00 23.42 H new ATOM 0 HB3 ASP A 96 7.228 -14.384 -2.769 1.00 23.42 H new ATOM 1533 N THR A 97 7.045 -10.814 -3.828 1.00 25.32 N ATOM 1534 CA THR A 97 7.348 -9.501 -4.384 1.00 55.45 C ATOM 1535 C THR A 97 8.002 -9.621 -5.755 1.00 34.42 C ATOM 1536 O THR A 97 8.191 -8.626 -6.455 1.00 23.10 O ATOM 1537 CB THR A 97 8.278 -8.699 -3.453 1.00 61.30 C ATOM 1538 OG1 THR A 97 7.729 -8.655 -2.131 1.00 1.11 O ATOM 1539 CG2 THR A 97 8.474 -7.283 -3.974 1.00 55.03 C ATOM 0 H THR A 97 7.587 -11.057 -2.998 1.00 25.32 H new ATOM 0 HA THR A 97 6.399 -8.973 -4.483 1.00 55.45 H new ATOM 0 HB THR A 97 9.247 -9.197 -3.426 1.00 61.30 H new ATOM 0 HG1 THR A 97 7.411 -7.748 -1.939 1.00 1.11 H new ATOM 0 HG21 THR A 97 9.134 -6.736 -3.301 1.00 55.03 H new ATOM 0 HG22 THR A 97 8.919 -7.320 -4.968 1.00 55.03 H new ATOM 0 HG23 THR A 97 7.510 -6.778 -4.027 1.00 55.03 H new ATOM 1547 N LYS A 98 8.346 -10.847 -6.135 1.00 33.41 N ATOM 1548 CA LYS A 98 8.979 -11.100 -7.425 1.00 4.54 C ATOM 1549 C LYS A 98 7.931 -11.267 -8.520 1.00 4.14 C ATOM 1550 O LYS A 98 7.929 -10.532 -9.508 1.00 61.14 O ATOM 1551 CB LYS A 98 9.857 -12.350 -7.350 1.00 72.20 C ATOM 1552 CG LYS A 98 10.818 -12.489 -8.518 1.00 75.11 C ATOM 1553 CD LYS A 98 11.912 -11.436 -8.468 1.00 32.02 C ATOM 1554 CE LYS A 98 13.286 -12.048 -8.696 1.00 23.05 C ATOM 1555 NZ LYS A 98 14.354 -11.294 -7.983 1.00 11.55 N ATOM 0 H LYS A 98 8.197 -11.682 -5.568 1.00 33.41 H new ATOM 0 HA LYS A 98 9.603 -10.241 -7.670 1.00 4.54 H new ATOM 0 HB2 LYS A 98 10.428 -12.328 -6.422 1.00 72.20 H new ATOM 0 HB3 LYS A 98 9.217 -13.231 -7.310 1.00 72.20 H new ATOM 0 HG2 LYS A 98 11.267 -13.482 -8.505 1.00 75.11 H new ATOM 0 HG3 LYS A 98 10.268 -12.400 -9.455 1.00 75.11 H new ATOM 0 HD2 LYS A 98 11.721 -10.675 -9.225 1.00 32.02 H new ATOM 0 HD3 LYS A 98 11.892 -10.935 -7.500 1.00 32.02 H new ATOM 0 HE2 LYS A 98 13.283 -13.083 -8.356 1.00 23.05 H new ATOM 0 HE3 LYS A 98 13.504 -12.064 -9.764 1.00 23.05 H new ATOM 0 HZ1 LYS A 98 15.275 -11.742 -8.163 1.00 11.55 H new ATOM 0 HZ2 LYS A 98 14.374 -10.312 -8.326 1.00 11.55 H new ATOM 0 HZ3 LYS A 98 14.160 -11.300 -6.961 1.00 11.55 H new ATOM 1569 N GLU A 99 7.040 -12.237 -8.339 1.00 62.31 N ATOM 1570 CA GLU A 99 5.986 -12.499 -9.313 1.00 52.35 C ATOM 1571 C GLU A 99 5.063 -11.292 -9.452 1.00 63.53 C ATOM 1572 O GLU A 99 4.303 -11.187 -10.415 1.00 3.20 O ATOM 1573 CB GLU A 99 5.176 -13.731 -8.902 1.00 54.14 C ATOM 1574 CG GLU A 99 5.751 -15.038 -9.421 1.00 54.12 C ATOM 1575 CD GLU A 99 5.116 -15.478 -10.726 1.00 0.21 C ATOM 1576 OE1 GLU A 99 4.676 -14.600 -11.497 1.00 23.13 O ATOM 1577 OE2 GLU A 99 5.061 -16.699 -10.975 1.00 25.40 O ATOM 0 H GLU A 99 7.027 -12.854 -7.527 1.00 62.31 H new ATOM 0 HA GLU A 99 6.456 -12.688 -10.278 1.00 52.35 H new ATOM 0 HB2 GLU A 99 5.122 -13.774 -7.814 1.00 54.14 H new ATOM 0 HB3 GLU A 99 4.155 -13.623 -9.267 1.00 54.14 H new ATOM 0 HG2 GLU A 99 6.826 -14.926 -9.564 1.00 54.12 H new ATOM 0 HG3 GLU A 99 5.608 -15.816 -8.671 1.00 54.12 H new ATOM 1584 N ALA A 100 5.132 -10.385 -8.483 1.00 34.24 N ATOM 1585 CA ALA A 100 4.305 -9.186 -8.498 1.00 32.03 C ATOM 1586 C ALA A 100 4.916 -8.108 -9.386 1.00 10.42 C ATOM 1587 O ALA A 100 4.232 -7.514 -10.221 1.00 33.31 O ATOM 1588 CB ALA A 100 4.111 -8.661 -7.083 1.00 12.35 C ATOM 0 H ALA A 100 5.753 -10.459 -7.677 1.00 34.24 H new ATOM 0 HA ALA A 100 3.332 -9.451 -8.912 1.00 32.03 H new ATOM 0 HB1 ALA A 100 3.491 -7.765 -7.109 1.00 12.35 H new ATOM 0 HB2 ALA A 100 3.622 -9.423 -6.476 1.00 12.35 H new ATOM 0 HB3 ALA A 100 5.081 -8.419 -6.649 1.00 12.35 H new ATOM 1594 N LEU A 101 6.208 -7.857 -9.200 1.00 25.01 N ATOM 1595 CA LEU A 101 6.912 -6.848 -9.984 1.00 42.40 C ATOM 1596 C LEU A 101 6.902 -7.206 -11.467 1.00 41.02 C ATOM 1597 O LEU A 101 6.636 -6.358 -12.319 1.00 74.01 O ATOM 1598 CB LEU A 101 8.353 -6.705 -9.492 1.00 23.22 C ATOM 1599 CG LEU A 101 9.019 -5.354 -9.749 1.00 13.31 C ATOM 1600 CD1 LEU A 101 9.175 -5.111 -11.242 1.00 32.34 C ATOM 1601 CD2 LEU A 101 8.217 -4.232 -9.106 1.00 71.22 C ATOM 0 H LEU A 101 6.789 -8.338 -8.513 1.00 25.01 H new ATOM 0 HA LEU A 101 6.395 -5.897 -9.855 1.00 42.40 H new ATOM 0 HB2 LEU A 101 8.370 -6.898 -8.419 1.00 23.22 H new ATOM 0 HB3 LEU A 101 8.956 -7.480 -9.965 1.00 23.22 H new ATOM 0 HG LEU A 101 10.011 -5.369 -9.298 1.00 13.31 H new ATOM 0 HD11 LEU A 101 9.651 -4.144 -11.405 1.00 32.34 H new ATOM 0 HD12 LEU A 101 9.792 -5.897 -11.676 1.00 32.34 H new ATOM 0 HD13 LEU A 101 8.194 -5.117 -11.716 1.00 32.34 H new ATOM 0 HD21 LEU A 101 8.707 -3.278 -9.300 1.00 71.22 H new ATOM 0 HD22 LEU A 101 7.212 -4.216 -9.527 1.00 71.22 H new ATOM 0 HD23 LEU A 101 8.157 -4.398 -8.030 1.00 71.22 H new ATOM 1613 N ASP A 102 7.190 -8.468 -11.767 1.00 71.02 N ATOM 1614 CA ASP A 102 7.212 -8.940 -13.147 1.00 10.41 C ATOM 1615 C ASP A 102 5.862 -8.712 -13.820 1.00 3.11 C ATOM 1616 O ASP A 102 5.795 -8.288 -14.973 1.00 20.25 O ATOM 1617 CB ASP A 102 7.575 -10.425 -13.195 1.00 54.42 C ATOM 1618 CG ASP A 102 7.610 -10.967 -14.610 1.00 50.13 C ATOM 1619 OD1 ASP A 102 8.068 -10.237 -15.515 1.00 51.42 O ATOM 1620 OD2 ASP A 102 7.180 -12.121 -14.813 1.00 10.30 O ATOM 0 H ASP A 102 7.411 -9.182 -11.073 1.00 71.02 H new ATOM 0 HA ASP A 102 7.969 -8.371 -13.688 1.00 10.41 H new ATOM 0 HB2 ASP A 102 8.549 -10.573 -12.728 1.00 54.42 H new ATOM 0 HB3 ASP A 102 6.851 -10.992 -12.610 1.00 54.42 H new ATOM 1625 N LYS A 103 4.787 -8.997 -13.091 1.00 75.41 N ATOM 1626 CA LYS A 103 3.438 -8.824 -13.617 1.00 71.25 C ATOM 1627 C LYS A 103 3.252 -7.421 -14.185 1.00 4.22 C ATOM 1628 O LYS A 103 2.443 -7.210 -15.089 1.00 42.02 O ATOM 1629 CB LYS A 103 2.405 -9.083 -12.518 1.00 42.53 C ATOM 1630 CG LYS A 103 1.391 -10.155 -12.877 1.00 43.22 C ATOM 1631 CD LYS A 103 1.965 -11.549 -12.691 1.00 24.43 C ATOM 1632 CE LYS A 103 1.292 -12.557 -13.612 1.00 44.43 C ATOM 1633 NZ LYS A 103 2.285 -13.381 -14.353 1.00 33.01 N ATOM 0 H LYS A 103 4.824 -9.349 -12.134 1.00 75.41 H new ATOM 0 HA LYS A 103 3.292 -9.544 -14.422 1.00 71.25 H new ATOM 0 HB2 LYS A 103 2.924 -9.376 -11.605 1.00 42.53 H new ATOM 0 HB3 LYS A 103 1.878 -8.154 -12.300 1.00 42.53 H new ATOM 0 HG2 LYS A 103 0.503 -10.040 -12.255 1.00 43.22 H new ATOM 0 HG3 LYS A 103 1.074 -10.026 -13.912 1.00 43.22 H new ATOM 0 HD2 LYS A 103 3.037 -11.532 -12.890 1.00 24.43 H new ATOM 0 HD3 LYS A 103 1.838 -11.861 -11.654 1.00 24.43 H new ATOM 0 HE2 LYS A 103 0.645 -13.209 -13.025 1.00 44.43 H new ATOM 0 HE3 LYS A 103 0.655 -12.031 -14.322 1.00 44.43 H new ATOM 0 HZ1 LYS A 103 1.787 -14.055 -14.969 1.00 33.01 H new ATOM 0 HZ2 LYS A 103 2.887 -12.762 -14.933 1.00 33.01 H new ATOM 0 HZ3 LYS A 103 2.877 -13.903 -13.676 1.00 33.01 H new ATOM 1647 N ILE A 104 4.006 -6.466 -13.651 1.00 11.14 N ATOM 1648 CA ILE A 104 3.925 -5.084 -14.108 1.00 53.13 C ATOM 1649 C ILE A 104 4.983 -4.791 -15.166 1.00 74.33 C ATOM 1650 O ILE A 104 4.741 -4.039 -16.108 1.00 11.31 O ATOM 1651 CB ILE A 104 4.095 -4.094 -12.940 1.00 64.32 C ATOM 1652 CG1 ILE A 104 2.937 -4.238 -11.949 1.00 75.23 C ATOM 1653 CG2 ILE A 104 4.177 -2.668 -13.462 1.00 14.03 C ATOM 1654 CD1 ILE A 104 3.137 -3.456 -10.670 1.00 3.40 C ATOM 0 H ILE A 104 4.680 -6.624 -12.902 1.00 11.14 H new ATOM 0 HA ILE A 104 2.934 -4.954 -14.543 1.00 53.13 H new ATOM 0 HB ILE A 104 5.025 -4.324 -12.420 1.00 64.32 H new ATOM 0 HG12 ILE A 104 2.016 -3.906 -12.428 1.00 75.23 H new ATOM 0 HG13 ILE A 104 2.807 -5.292 -11.704 1.00 75.23 H new ATOM 0 HG21 ILE A 104 4.297 -1.980 -12.625 1.00 14.03 H new ATOM 0 HG22 ILE A 104 5.031 -2.575 -14.133 1.00 14.03 H new ATOM 0 HG23 ILE A 104 3.262 -2.425 -14.003 1.00 14.03 H new ATOM 0 HD11 ILE A 104 2.279 -3.604 -10.015 1.00 3.40 H new ATOM 0 HD12 ILE A 104 4.040 -3.803 -10.169 1.00 3.40 H new ATOM 0 HD13 ILE A 104 3.236 -2.396 -10.903 1.00 3.40 H new ATOM 1666 N GLU A 105 6.157 -5.394 -15.002 1.00 34.44 N ATOM 1667 CA GLU A 105 7.253 -5.199 -15.945 1.00 52.34 C ATOM 1668 C GLU A 105 6.918 -5.807 -17.302 1.00 13.25 C ATOM 1669 O GLU A 105 7.382 -5.331 -18.338 1.00 24.33 O ATOM 1670 CB GLU A 105 8.541 -5.819 -15.399 1.00 61.41 C ATOM 1671 CG GLU A 105 9.795 -5.045 -15.771 1.00 71.12 C ATOM 1672 CD GLU A 105 11.017 -5.936 -15.885 1.00 11.53 C ATOM 1673 OE1 GLU A 105 10.932 -6.976 -16.570 1.00 51.12 O ATOM 1674 OE2 GLU A 105 12.060 -5.590 -15.289 1.00 4.41 O ATOM 0 H GLU A 105 6.373 -6.020 -14.227 1.00 34.44 H new ATOM 0 HA GLU A 105 7.401 -4.127 -16.074 1.00 52.34 H new ATOM 0 HB2 GLU A 105 8.472 -5.882 -14.313 1.00 61.41 H new ATOM 0 HB3 GLU A 105 8.630 -6.839 -15.772 1.00 61.41 H new ATOM 0 HG2 GLU A 105 9.634 -4.533 -16.719 1.00 71.12 H new ATOM 0 HG3 GLU A 105 9.979 -4.276 -15.021 1.00 71.12 H new ATOM 1681 N GLU A 106 6.110 -6.863 -17.289 1.00 55.34 N ATOM 1682 CA GLU A 106 5.714 -7.538 -18.520 1.00 52.44 C ATOM 1683 C GLU A 106 4.552 -6.809 -19.190 1.00 51.12 C ATOM 1684 O GLU A 106 4.401 -6.853 -20.410 1.00 11.50 O ATOM 1685 CB GLU A 106 5.322 -8.988 -18.229 1.00 10.41 C ATOM 1686 CG GLU A 106 5.007 -9.795 -19.477 1.00 40.23 C ATOM 1687 CD GLU A 106 6.162 -9.825 -20.459 1.00 73.44 C ATOM 1688 OE1 GLU A 106 7.305 -9.544 -20.040 1.00 21.43 O ATOM 1689 OE2 GLU A 106 5.923 -10.132 -21.645 1.00 2.33 O ATOM 0 H GLU A 106 5.717 -7.269 -16.440 1.00 55.34 H new ATOM 0 HA GLU A 106 6.566 -7.529 -19.200 1.00 52.44 H new ATOM 0 HB2 GLU A 106 6.134 -9.474 -17.688 1.00 10.41 H new ATOM 0 HB3 GLU A 106 4.452 -8.996 -17.572 1.00 10.41 H new ATOM 0 HG2 GLU A 106 4.752 -10.815 -19.191 1.00 40.23 H new ATOM 0 HG3 GLU A 106 4.130 -9.372 -19.967 1.00 40.23 H new ATOM 1696 N GLU A 107 3.735 -6.142 -18.381 1.00 12.51 N ATOM 1697 CA GLU A 107 2.586 -5.405 -18.896 1.00 13.22 C ATOM 1698 C GLU A 107 3.036 -4.183 -19.692 1.00 22.52 C ATOM 1699 O GLU A 107 2.424 -3.827 -20.699 1.00 74.44 O ATOM 1700 CB GLU A 107 1.675 -4.971 -17.747 1.00 22.20 C ATOM 1701 CG GLU A 107 0.393 -5.782 -17.648 1.00 41.33 C ATOM 1702 CD GLU A 107 -0.714 -5.036 -16.928 1.00 22.44 C ATOM 1703 OE1 GLU A 107 -0.770 -5.114 -15.683 1.00 33.11 O ATOM 1704 OE2 GLU A 107 -1.526 -4.377 -17.609 1.00 2.43 O ATOM 0 H GLU A 107 3.847 -6.097 -17.368 1.00 12.51 H new ATOM 0 HA GLU A 107 2.031 -6.066 -19.561 1.00 13.22 H new ATOM 0 HB2 GLU A 107 2.222 -5.056 -16.808 1.00 22.20 H new ATOM 0 HB3 GLU A 107 1.421 -3.919 -17.873 1.00 22.20 H new ATOM 0 HG2 GLU A 107 0.056 -6.046 -18.650 1.00 41.33 H new ATOM 0 HG3 GLU A 107 0.597 -6.716 -17.124 1.00 41.33 H new ATOM 1711 N GLN A 108 4.108 -3.546 -19.233 1.00 72.13 N ATOM 1712 CA GLN A 108 4.638 -2.363 -19.901 1.00 60.51 C ATOM 1713 C GLN A 108 5.174 -2.716 -21.285 1.00 15.40 C ATOM 1714 O GLN A 108 5.114 -1.906 -22.209 1.00 40.41 O ATOM 1715 CB GLN A 108 5.746 -1.729 -19.058 1.00 42.41 C ATOM 1716 CG GLN A 108 5.954 -0.250 -19.341 1.00 31.14 C ATOM 1717 CD GLN A 108 4.737 0.588 -18.997 1.00 33.34 C ATOM 1718 OE1 GLN A 108 4.011 0.287 -18.050 1.00 44.34 O ATOM 1719 NE2 GLN A 108 4.510 1.645 -19.767 1.00 3.33 N ATOM 0 H GLN A 108 4.627 -3.829 -18.402 1.00 72.13 H new ATOM 0 HA GLN A 108 3.825 -1.646 -20.017 1.00 60.51 H new ATOM 0 HB2 GLN A 108 5.507 -1.858 -18.002 1.00 42.41 H new ATOM 0 HB3 GLN A 108 6.680 -2.260 -19.241 1.00 42.41 H new ATOM 0 HG2 GLN A 108 6.810 0.108 -18.770 1.00 31.14 H new ATOM 0 HG3 GLN A 108 6.196 -0.116 -20.395 1.00 31.14 H new ATOM 0 HE21 GLN A 108 5.139 1.856 -20.542 1.00 3.33 H new ATOM 0 HE22 GLN A 108 3.706 2.246 -19.584 1.00 3.33 H new ATOM 1728 N ASN A 109 5.701 -3.928 -21.419 1.00 74.12 N ATOM 1729 CA ASN A 109 6.250 -4.387 -22.690 1.00 10.43 C ATOM 1730 C ASN A 109 5.203 -4.301 -23.797 1.00 35.03 C ATOM 1731 O ASN A 109 5.474 -3.793 -24.886 1.00 72.25 O ATOM 1732 CB ASN A 109 6.756 -5.825 -22.562 1.00 1.13 C ATOM 1733 CG ASN A 109 8.134 -5.899 -21.936 1.00 73.44 C ATOM 1734 OD1 ASN A 109 8.640 -4.912 -21.402 1.00 3.25 O ATOM 1735 ND2 ASN A 109 8.749 -7.074 -21.997 1.00 35.43 N ATOM 0 H ASN A 109 5.760 -4.610 -20.663 1.00 74.12 H new ATOM 0 HA ASN A 109 7.085 -3.738 -22.952 1.00 10.43 H new ATOM 0 HB2 ASN A 109 6.055 -6.402 -21.959 1.00 1.13 H new ATOM 0 HB3 ASN A 109 6.783 -6.287 -23.549 1.00 1.13 H new ATOM 0 HD21 ASN A 109 9.678 -7.185 -21.591 1.00 35.43 H new ATOM 0 HD22 ASN A 109 8.292 -7.866 -22.449 1.00 35.43 H new ATOM 1742 N LYS A 110 4.005 -4.799 -23.512 1.00 60.22 N ATOM 1743 CA LYS A 110 2.916 -4.778 -24.480 1.00 23.04 C ATOM 1744 C LYS A 110 2.661 -3.361 -24.981 1.00 41.42 C ATOM 1745 O LYS A 110 2.314 -3.155 -26.144 1.00 34.25 O ATOM 1746 CB LYS A 110 1.640 -5.347 -23.856 1.00 45.01 C ATOM 1747 CG LYS A 110 0.866 -6.265 -24.786 1.00 5.32 C ATOM 1748 CD LYS A 110 -0.633 -6.152 -24.561 1.00 11.41 C ATOM 1749 CE LYS A 110 -1.126 -7.181 -23.554 1.00 13.53 C ATOM 1750 NZ LYS A 110 -2.607 -7.150 -23.411 1.00 70.21 N ATOM 0 H LYS A 110 3.764 -5.223 -22.616 1.00 60.22 H new ATOM 0 HA LYS A 110 3.206 -5.398 -25.328 1.00 23.04 H new ATOM 0 HB2 LYS A 110 1.901 -5.896 -22.952 1.00 45.01 H new ATOM 0 HB3 LYS A 110 0.995 -4.522 -23.553 1.00 45.01 H new ATOM 0 HG2 LYS A 110 1.099 -6.016 -25.821 1.00 5.32 H new ATOM 0 HG3 LYS A 110 1.182 -7.296 -24.627 1.00 5.32 H new ATOM 0 HD2 LYS A 110 -0.874 -5.150 -24.206 1.00 11.41 H new ATOM 0 HD3 LYS A 110 -1.155 -6.289 -25.508 1.00 11.41 H new ATOM 0 HE2 LYS A 110 -0.812 -8.176 -23.868 1.00 13.53 H new ATOM 0 HE3 LYS A 110 -0.663 -6.992 -22.585 1.00 13.53 H new ATOM 0 HZ1 LYS A 110 -2.904 -7.865 -22.717 1.00 70.21 H new ATOM 0 HZ2 LYS A 110 -2.905 -6.208 -23.087 1.00 70.21 H new ATOM 0 HZ3 LYS A 110 -3.049 -7.355 -24.330 1.00 70.21 H new ATOM 1764 N SER A 111 2.837 -2.384 -24.096 1.00 45.32 N ATOM 1765 CA SER A 111 2.623 -0.985 -24.448 1.00 31.52 C ATOM 1766 C SER A 111 3.951 -0.283 -24.712 1.00 53.31 C ATOM 1767 O SER A 111 4.089 0.919 -24.480 1.00 70.31 O ATOM 1768 CB SER A 111 1.866 -0.266 -23.330 1.00 4.12 C ATOM 1769 OG SER A 111 0.476 -0.534 -23.402 1.00 41.23 O ATOM 0 H SER A 111 3.127 -2.536 -23.130 1.00 45.32 H new ATOM 0 HA SER A 111 2.027 -0.952 -25.360 1.00 31.52 H new ATOM 0 HB2 SER A 111 2.252 -0.585 -22.362 1.00 4.12 H new ATOM 0 HB3 SER A 111 2.037 0.808 -23.403 1.00 4.12 H new ATOM 0 HG SER A 111 0.014 -0.065 -22.676 1.00 41.23 H new ATOM 1775 N LYS A 112 4.928 -1.041 -25.198 1.00 52.44 N ATOM 1776 CA LYS A 112 6.246 -0.494 -25.495 1.00 11.20 C ATOM 1777 C LYS A 112 6.178 0.489 -26.659 1.00 2.41 C ATOM 1778 O LYS A 112 6.970 1.428 -26.741 1.00 12.12 O ATOM 1779 CB LYS A 112 7.228 -1.622 -25.823 1.00 4.12 C ATOM 1780 CG LYS A 112 6.844 -2.422 -27.056 1.00 41.50 C ATOM 1781 CD LYS A 112 7.634 -3.716 -27.148 1.00 31.13 C ATOM 1782 CE LYS A 112 8.367 -3.828 -28.476 1.00 64.42 C ATOM 1783 NZ LYS A 112 7.574 -4.584 -29.485 1.00 21.20 N ATOM 0 H LYS A 112 4.831 -2.037 -25.395 1.00 52.44 H new ATOM 0 HA LYS A 112 6.597 0.040 -24.612 1.00 11.20 H new ATOM 0 HB2 LYS A 112 8.221 -1.197 -25.970 1.00 4.12 H new ATOM 0 HB3 LYS A 112 7.293 -2.296 -24.969 1.00 4.12 H new ATOM 0 HG2 LYS A 112 5.778 -2.647 -27.028 1.00 41.50 H new ATOM 0 HG3 LYS A 112 7.020 -1.823 -27.949 1.00 41.50 H new ATOM 0 HD2 LYS A 112 8.352 -3.764 -26.330 1.00 31.13 H new ATOM 0 HD3 LYS A 112 6.960 -4.564 -27.031 1.00 31.13 H new ATOM 0 HE2 LYS A 112 8.583 -2.830 -28.857 1.00 64.42 H new ATOM 0 HE3 LYS A 112 9.325 -4.324 -28.321 1.00 64.42 H new ATOM 0 HZ1 LYS A 112 8.108 -4.638 -30.376 1.00 21.20 H new ATOM 0 HZ2 LYS A 112 7.390 -5.545 -29.133 1.00 21.20 H new ATOM 0 HZ3 LYS A 112 6.670 -4.097 -29.652 1.00 21.20 H new ATOM 1797 N LYS A 113 5.224 0.269 -27.557 1.00 21.04 N ATOM 1798 CA LYS A 113 5.049 1.137 -28.717 1.00 61.22 C ATOM 1799 C LYS A 113 4.187 2.345 -28.366 1.00 12.42 C ATOM 1800 O LYS A 113 4.319 3.412 -28.968 1.00 35.42 O ATOM 1801 CB LYS A 113 4.410 0.359 -29.870 1.00 54.05 C ATOM 1802 CG LYS A 113 5.196 0.440 -31.167 1.00 13.12 C ATOM 1803 CD LYS A 113 5.862 -0.885 -31.500 1.00 62.35 C ATOM 1804 CE LYS A 113 6.989 -0.706 -32.504 1.00 1.03 C ATOM 1805 NZ LYS A 113 8.314 -1.052 -31.920 1.00 60.21 N ATOM 0 H LYS A 113 4.560 -0.503 -27.504 1.00 21.04 H new ATOM 0 HA LYS A 113 6.032 1.491 -29.027 1.00 61.22 H new ATOM 0 HB2 LYS A 113 4.310 -0.687 -29.580 1.00 54.05 H new ATOM 0 HB3 LYS A 113 3.403 0.740 -30.041 1.00 54.05 H new ATOM 0 HG2 LYS A 113 4.529 0.727 -31.980 1.00 13.12 H new ATOM 0 HG3 LYS A 113 5.954 1.219 -31.086 1.00 13.12 H new ATOM 0 HD2 LYS A 113 6.254 -1.336 -30.588 1.00 62.35 H new ATOM 0 HD3 LYS A 113 5.121 -1.575 -31.903 1.00 62.35 H new ATOM 0 HE2 LYS A 113 6.802 -1.333 -33.376 1.00 1.03 H new ATOM 0 HE3 LYS A 113 7.004 0.327 -32.852 1.00 1.03 H new ATOM 0 HZ1 LYS A 113 9.055 -0.917 -32.637 1.00 60.21 H new ATOM 0 HZ2 LYS A 113 8.505 -0.437 -31.104 1.00 60.21 H new ATOM 0 HZ3 LYS A 113 8.309 -2.045 -31.611 1.00 60.21 H new ATOM 1819 N LYS A 114 3.304 2.174 -27.388 1.00 33.43 N ATOM 1820 CA LYS A 114 2.423 3.251 -26.954 1.00 22.32 C ATOM 1821 C LYS A 114 3.000 3.971 -25.741 1.00 43.32 C ATOM 1822 O LYS A 114 2.260 4.497 -24.909 1.00 12.10 O ATOM 1823 CB LYS A 114 1.035 2.698 -26.620 1.00 32.23 C ATOM 1824 CG LYS A 114 -0.046 3.764 -26.558 1.00 33.14 C ATOM 1825 CD LYS A 114 -1.385 3.228 -27.033 1.00 21.13 C ATOM 1826 CE LYS A 114 -2.365 4.355 -27.323 1.00 51.02 C ATOM 1827 NZ LYS A 114 -2.302 4.792 -28.746 1.00 44.34 N ATOM 0 H LYS A 114 3.180 1.298 -26.880 1.00 33.43 H new ATOM 0 HA LYS A 114 2.336 3.967 -27.771 1.00 22.32 H new ATOM 0 HB2 LYS A 114 0.759 1.956 -27.369 1.00 32.23 H new ATOM 0 HB3 LYS A 114 1.080 2.182 -25.661 1.00 32.23 H new ATOM 0 HG2 LYS A 114 -0.141 4.128 -25.535 1.00 33.14 H new ATOM 0 HG3 LYS A 114 0.245 4.615 -27.173 1.00 33.14 H new ATOM 0 HD2 LYS A 114 -1.240 2.630 -27.933 1.00 21.13 H new ATOM 0 HD3 LYS A 114 -1.803 2.567 -26.274 1.00 21.13 H new ATOM 0 HE2 LYS A 114 -3.377 4.025 -27.089 1.00 51.02 H new ATOM 0 HE3 LYS A 114 -2.147 5.202 -26.673 1.00 51.02 H new ATOM 0 HZ1 LYS A 114 -2.984 5.561 -28.904 1.00 44.34 H new ATOM 0 HZ2 LYS A 114 -1.343 5.130 -28.963 1.00 44.34 H new ATOM 0 HZ3 LYS A 114 -2.535 3.990 -29.366 1.00 44.34 H new ATOM 1841 N ALA A 115 4.326 3.993 -25.646 1.00 25.34 N ATOM 1842 CA ALA A 115 5.001 4.653 -24.536 1.00 71.02 C ATOM 1843 C ALA A 115 6.421 5.056 -24.919 1.00 74.22 C ATOM 1844 O ALA A 115 7.318 5.081 -24.076 1.00 24.10 O ATOM 1845 CB ALA A 115 5.020 3.745 -23.315 1.00 65.15 C ATOM 0 H ALA A 115 4.953 3.561 -26.325 1.00 25.34 H new ATOM 0 HA ALA A 115 4.447 5.559 -24.293 1.00 71.02 H new ATOM 0 HB1 ALA A 115 5.527 4.251 -22.493 1.00 65.15 H new ATOM 0 HB2 ALA A 115 3.997 3.510 -23.020 1.00 65.15 H new ATOM 0 HB3 ALA A 115 5.549 2.823 -23.555 1.00 65.15 H new ATOM 1851 N GLN A 116 6.619 5.369 -26.195 1.00 22.31 N ATOM 1852 CA GLN A 116 7.930 5.769 -26.689 1.00 13.01 C ATOM 1853 C GLN A 116 8.012 7.283 -26.852 1.00 35.33 C ATOM 1854 O GLN A 116 9.095 7.865 -26.788 1.00 4.23 O ATOM 1855 CB GLN A 116 8.227 5.084 -28.025 1.00 60.02 C ATOM 1856 CG GLN A 116 9.701 5.089 -28.398 1.00 44.13 C ATOM 1857 CD GLN A 116 9.969 4.414 -29.728 1.00 41.24 C ATOM 1858 OE1 GLN A 116 9.275 3.472 -30.110 1.00 11.12 O ATOM 1859 NE2 GLN A 116 10.980 4.895 -30.443 1.00 71.51 N ATOM 0 H GLN A 116 5.887 5.353 -26.906 1.00 22.31 H new ATOM 0 HA GLN A 116 8.675 5.460 -25.956 1.00 13.01 H new ATOM 0 HB2 GLN A 116 7.876 4.053 -27.981 1.00 60.02 H new ATOM 0 HB3 GLN A 116 7.660 5.581 -28.812 1.00 60.02 H new ATOM 0 HG2 GLN A 116 10.058 6.118 -28.439 1.00 44.13 H new ATOM 0 HG3 GLN A 116 10.271 4.585 -27.618 1.00 44.13 H new ATOM 0 HE21 GLN A 116 11.529 5.678 -30.088 1.00 71.51 H new ATOM 0 HE22 GLN A 116 11.207 4.482 -31.347 1.00 71.51 H new ATOM 1868 N GLN A 117 6.861 7.913 -27.064 1.00 32.14 N ATOM 1869 CA GLN A 117 6.804 9.360 -27.238 1.00 31.22 C ATOM 1870 C GLN A 117 7.359 10.078 -26.012 1.00 64.42 C ATOM 1871 O GLN A 117 8.096 11.055 -26.134 1.00 51.25 O ATOM 1872 CB GLN A 117 5.365 9.807 -27.497 1.00 20.24 C ATOM 1873 CG GLN A 117 5.240 11.280 -27.856 1.00 65.43 C ATOM 1874 CD GLN A 117 5.079 11.506 -29.346 1.00 43.21 C ATOM 1875 OE1 GLN A 117 4.020 11.237 -29.916 1.00 71.44 O ATOM 1876 NE2 GLN A 117 6.129 12.005 -29.986 1.00 55.24 N ATOM 0 H GLN A 117 5.956 7.445 -27.119 1.00 32.14 H new ATOM 0 HA GLN A 117 7.419 9.622 -28.099 1.00 31.22 H new ATOM 0 HB2 GLN A 117 4.947 9.208 -28.306 1.00 20.24 H new ATOM 0 HB3 GLN A 117 4.766 9.606 -26.609 1.00 20.24 H new ATOM 0 HG2 GLN A 117 4.384 11.706 -27.333 1.00 65.43 H new ATOM 0 HG3 GLN A 117 6.124 11.812 -27.505 1.00 65.43 H new ATOM 0 HE21 GLN A 117 6.986 12.213 -29.474 1.00 55.24 H new ATOM 0 HE22 GLN A 117 6.079 12.180 -30.990 1.00 55.24 H new ATOM 1885 N ALA A 118 6.998 9.586 -24.831 1.00 31.52 N ATOM 1886 CA ALA A 118 7.460 10.179 -23.583 1.00 54.04 C ATOM 1887 C ALA A 118 8.865 9.697 -23.233 1.00 42.32 C ATOM 1888 O ALA A 118 9.634 10.412 -22.591 1.00 13.14 O ATOM 1889 CB ALA A 118 6.493 9.855 -22.454 1.00 61.35 C ATOM 0 H ALA A 118 6.387 8.778 -24.713 1.00 31.52 H new ATOM 0 HA ALA A 118 7.497 11.260 -23.716 1.00 54.04 H new ATOM 0 HB1 ALA A 118 6.851 10.305 -21.528 1.00 61.35 H new ATOM 0 HB2 ALA A 118 5.507 10.254 -22.693 1.00 61.35 H new ATOM 0 HB3 ALA A 118 6.427 8.774 -22.331 1.00 61.35 H new ATOM 1895 N ALA A 119 9.191 8.481 -23.658 1.00 44.23 N ATOM 1896 CA ALA A 119 10.503 7.905 -23.390 1.00 30.12 C ATOM 1897 C ALA A 119 11.450 8.130 -24.564 1.00 34.12 C ATOM 1898 O ALA A 119 11.784 7.196 -25.293 1.00 42.14 O ATOM 1899 CB ALA A 119 10.375 6.418 -23.090 1.00 50.41 C ATOM 0 H ALA A 119 8.565 7.876 -24.189 1.00 44.23 H new ATOM 0 HA ALA A 119 10.922 8.406 -22.517 1.00 30.12 H new ATOM 0 HB1 ALA A 119 11.362 6.001 -22.892 1.00 50.41 H new ATOM 0 HB2 ALA A 119 9.739 6.277 -22.216 1.00 50.41 H new ATOM 0 HB3 ALA A 119 9.932 5.911 -23.947 1.00 50.41 H new ATOM 1905 N ALA A 120 11.880 9.375 -24.741 1.00 32.20 N ATOM 1906 CA ALA A 120 12.791 9.721 -25.825 1.00 10.33 C ATOM 1907 C ALA A 120 13.293 11.154 -25.683 1.00 13.12 C ATOM 1908 O ALA A 120 13.426 11.876 -26.672 1.00 10.41 O ATOM 1909 CB ALA A 120 12.106 9.531 -27.171 1.00 54.02 C ATOM 0 H ALA A 120 11.612 10.160 -24.148 1.00 32.20 H new ATOM 0 HA ALA A 120 13.652 9.055 -25.770 1.00 10.33 H new ATOM 0 HB1 ALA A 120 12.798 9.793 -27.972 1.00 54.02 H new ATOM 0 HB2 ALA A 120 11.802 8.490 -27.281 1.00 54.02 H new ATOM 0 HB3 ALA A 120 11.227 10.174 -27.226 1.00 54.02 H new ATOM 1915 N ASP A 121 13.569 11.560 -24.449 1.00 63.01 N ATOM 1916 CA ASP A 121 14.056 12.907 -24.179 1.00 51.34 C ATOM 1917 C ASP A 121 15.238 12.875 -23.213 1.00 20.32 C ATOM 1918 O ASP A 121 15.470 13.824 -22.465 1.00 0.31 O ATOM 1919 CB ASP A 121 12.935 13.772 -23.601 1.00 33.00 C ATOM 1920 CG ASP A 121 13.212 15.256 -23.752 1.00 61.32 C ATOM 1921 OD1 ASP A 121 13.854 15.834 -22.850 1.00 42.51 O ATOM 1922 OD2 ASP A 121 12.786 15.838 -24.771 1.00 34.52 O ATOM 0 H ASP A 121 13.464 10.975 -23.620 1.00 63.01 H new ATOM 0 HA ASP A 121 14.391 13.340 -25.122 1.00 51.34 H new ATOM 0 HB2 ASP A 121 11.997 13.528 -24.100 1.00 33.00 H new ATOM 0 HB3 ASP A 121 12.805 13.535 -22.545 1.00 33.00 H new ATOM 1927 N THR A 122 15.983 11.773 -23.236 1.00 50.03 N ATOM 1928 CA THR A 122 17.139 11.614 -22.362 1.00 0.04 C ATOM 1929 C THR A 122 18.440 11.708 -23.151 1.00 64.11 C ATOM 1930 O THR A 122 18.723 10.867 -24.003 1.00 11.14 O ATOM 1931 CB THR A 122 17.099 10.267 -21.617 1.00 3.42 C ATOM 1932 OG1 THR A 122 16.890 9.199 -22.547 1.00 35.33 O ATOM 1933 CG2 THR A 122 15.993 10.259 -20.572 1.00 40.20 C ATOM 0 H THR A 122 15.806 10.978 -23.850 1.00 50.03 H new ATOM 0 HA THR A 122 17.099 12.424 -21.634 1.00 0.04 H new ATOM 0 HB THR A 122 18.055 10.128 -21.113 1.00 3.42 H new ATOM 0 HG1 THR A 122 17.389 9.380 -23.371 1.00 35.33 H new ATOM 0 HG21 THR A 122 15.984 9.297 -20.059 1.00 40.20 H new ATOM 0 HG22 THR A 122 16.170 11.055 -19.849 1.00 40.20 H new ATOM 0 HG23 THR A 122 15.031 10.419 -21.059 1.00 40.20 H new ATOM 1941 N GLY A 123 19.230 12.736 -22.859 1.00 14.34 N ATOM 1942 CA GLY A 123 20.494 12.919 -23.550 1.00 43.54 C ATOM 1943 C GLY A 123 21.624 12.140 -22.907 1.00 41.50 C ATOM 1944 O GLY A 123 22.141 12.531 -21.861 1.00 51.32 O ATOM 0 H GLY A 123 19.018 13.445 -22.157 1.00 14.34 H new ATOM 0 HA2 GLY A 123 20.386 12.606 -24.588 1.00 43.54 H new ATOM 0 HA3 GLY A 123 20.748 13.979 -23.562 1.00 43.54 H new ATOM 1948 N ASN A 124 22.008 11.033 -23.534 1.00 13.40 N ATOM 1949 CA ASN A 124 23.084 10.195 -23.015 1.00 5.13 C ATOM 1950 C ASN A 124 24.332 10.311 -23.885 1.00 1.33 C ATOM 1951 O ASN A 124 24.258 10.214 -25.110 1.00 52.12 O ATOM 1952 CB ASN A 124 22.631 8.735 -22.944 1.00 10.35 C ATOM 1953 CG ASN A 124 21.942 8.407 -21.634 1.00 20.43 C ATOM 1954 OD1 ASN A 124 21.471 9.298 -20.927 1.00 74.44 O ATOM 1955 ND2 ASN A 124 21.878 7.121 -21.306 1.00 51.11 N ATOM 0 H ASN A 124 21.591 10.695 -24.401 1.00 13.40 H new ATOM 0 HA ASN A 124 23.330 10.542 -22.011 1.00 5.13 H new ATOM 0 HB2 ASN A 124 21.952 8.528 -23.771 1.00 10.35 H new ATOM 0 HB3 ASN A 124 23.495 8.083 -23.070 1.00 10.35 H new ATOM 0 HD21 ASN A 124 21.424 6.838 -20.437 1.00 51.11 H new ATOM 0 HD22 ASN A 124 22.282 6.417 -21.923 1.00 51.11 H new ATOM 1962 N ASN A 125 25.477 10.519 -23.244 1.00 31.31 N ATOM 1963 CA ASN A 125 26.741 10.648 -23.958 1.00 35.03 C ATOM 1964 C ASN A 125 27.541 9.351 -23.887 1.00 14.11 C ATOM 1965 O ASN A 125 27.970 8.933 -22.811 1.00 20.24 O ATOM 1966 CB ASN A 125 27.563 11.801 -23.380 1.00 62.24 C ATOM 1967 CG ASN A 125 27.928 12.834 -24.427 1.00 10.21 C ATOM 1968 OD1 ASN A 125 27.134 13.721 -24.744 1.00 51.34 O ATOM 1969 ND2 ASN A 125 29.134 12.725 -24.972 1.00 3.30 N ATOM 0 H ASN A 125 25.555 10.602 -22.230 1.00 31.31 H new ATOM 0 HA ASN A 125 26.518 10.859 -25.004 1.00 35.03 H new ATOM 0 HB2 ASN A 125 26.998 12.282 -22.581 1.00 62.24 H new ATOM 0 HB3 ASN A 125 28.474 11.405 -22.932 1.00 62.24 H new ATOM 0 HD21 ASN A 125 29.434 13.392 -25.683 1.00 3.30 H new ATOM 0 HD22 ASN A 125 29.760 11.975 -24.680 1.00 3.30 H new ATOM 1976 N SER A 126 27.741 8.719 -25.040 1.00 42.45 N ATOM 1977 CA SER A 126 28.487 7.468 -25.107 1.00 44.33 C ATOM 1978 C SER A 126 29.808 7.664 -25.843 1.00 32.23 C ATOM 1979 O SER A 126 29.914 8.501 -26.739 1.00 11.43 O ATOM 1980 CB SER A 126 27.655 6.391 -25.805 1.00 13.13 C ATOM 1981 OG SER A 126 26.605 5.936 -24.970 1.00 32.30 O ATOM 0 H SER A 126 27.397 9.053 -25.940 1.00 42.45 H new ATOM 0 HA SER A 126 28.703 7.146 -24.088 1.00 44.33 H new ATOM 0 HB2 SER A 126 27.240 6.790 -26.731 1.00 13.13 H new ATOM 0 HB3 SER A 126 28.296 5.553 -26.078 1.00 13.13 H new ATOM 0 HG SER A 126 26.087 5.249 -25.440 1.00 32.30 H new ATOM 1987 N GLN A 127 30.814 6.885 -25.458 1.00 24.32 N ATOM 1988 CA GLN A 127 32.129 6.972 -26.082 1.00 40.31 C ATOM 1989 C GLN A 127 32.908 5.674 -25.894 1.00 72.41 C ATOM 1990 O GLN A 127 34.138 5.679 -25.836 1.00 71.55 O ATOM 1991 CB GLN A 127 32.918 8.143 -25.494 1.00 0.00 C ATOM 1992 CG GLN A 127 33.315 7.942 -24.040 1.00 32.01 C ATOM 1993 CD GLN A 127 33.467 9.250 -23.291 1.00 42.32 C ATOM 1994 OE1 GLN A 127 33.155 10.320 -23.815 1.00 70.13 O ATOM 1995 NE2 GLN A 127 33.949 9.173 -22.056 1.00 42.01 N ATOM 0 H GLN A 127 30.744 6.187 -24.718 1.00 24.32 H new ATOM 0 HA GLN A 127 31.987 7.137 -27.150 1.00 40.31 H new ATOM 0 HB2 GLN A 127 33.818 8.299 -26.089 1.00 0.00 H new ATOM 0 HB3 GLN A 127 32.320 9.051 -25.576 1.00 0.00 H new ATOM 0 HG2 GLN A 127 32.563 7.329 -23.543 1.00 32.01 H new ATOM 0 HG3 GLN A 127 34.255 7.392 -23.997 1.00 32.01 H new ATOM 0 HE21 GLN A 127 34.195 8.266 -21.660 1.00 42.01 H new ATOM 0 HE22 GLN A 127 34.073 10.021 -21.503 1.00 42.01 H new ATOM 2004 N VAL A 128 32.183 4.563 -25.799 1.00 53.45 N ATOM 2005 CA VAL A 128 32.806 3.258 -25.617 1.00 31.14 C ATOM 2006 C VAL A 128 32.362 2.281 -26.701 1.00 12.45 C ATOM 2007 O VAL A 128 32.333 1.070 -26.486 1.00 20.21 O ATOM 2008 CB VAL A 128 32.471 2.662 -24.237 1.00 12.45 C ATOM 2009 CG1 VAL A 128 33.037 3.535 -23.127 1.00 32.32 C ATOM 2010 CG2 VAL A 128 30.968 2.495 -24.080 1.00 22.00 C ATOM 0 H VAL A 128 31.164 4.541 -25.845 1.00 53.45 H new ATOM 0 HA VAL A 128 33.883 3.410 -25.687 1.00 31.14 H new ATOM 0 HB VAL A 128 32.933 1.677 -24.164 1.00 12.45 H new ATOM 0 HG11 VAL A 128 32.790 3.098 -22.159 1.00 32.32 H new ATOM 0 HG12 VAL A 128 34.120 3.599 -23.231 1.00 32.32 H new ATOM 0 HG13 VAL A 128 32.606 4.534 -23.195 1.00 32.32 H new ATOM 0 HG21 VAL A 128 30.749 2.073 -23.099 1.00 22.00 H new ATOM 0 HG22 VAL A 128 30.482 3.466 -24.173 1.00 22.00 H new ATOM 0 HG23 VAL A 128 30.593 1.826 -24.855 1.00 22.00 H new ATOM 2020 N SER A 129 32.017 2.819 -27.867 1.00 62.41 N ATOM 2021 CA SER A 129 31.570 1.995 -28.985 1.00 50.14 C ATOM 2022 C SER A 129 32.202 2.465 -30.292 1.00 62.54 C ATOM 2023 O SER A 129 32.832 3.520 -30.344 1.00 44.31 O ATOM 2024 CB SER A 129 30.045 2.037 -29.099 1.00 23.44 C ATOM 2025 OG SER A 129 29.535 0.801 -29.570 1.00 41.32 O ATOM 0 H SER A 129 32.038 3.820 -28.062 1.00 62.41 H new ATOM 0 HA SER A 129 31.885 0.969 -28.797 1.00 50.14 H new ATOM 0 HB2 SER A 129 29.611 2.266 -28.126 1.00 23.44 H new ATOM 0 HB3 SER A 129 29.750 2.838 -29.777 1.00 23.44 H new ATOM 0 HG SER A 129 28.558 0.853 -29.633 1.00 41.32 H new ATOM 2031 N GLN A 130 32.029 1.671 -31.344 1.00 62.43 N ATOM 2032 CA GLN A 130 32.583 2.004 -32.651 1.00 4.33 C ATOM 2033 C GLN A 130 31.486 2.063 -33.709 1.00 23.50 C ATOM 2034 O GLN A 130 31.657 1.568 -34.822 1.00 22.11 O ATOM 2035 CB GLN A 130 33.643 0.978 -33.055 1.00 12.42 C ATOM 2036 CG GLN A 130 33.174 -0.462 -32.934 1.00 12.43 C ATOM 2037 CD GLN A 130 33.191 -1.195 -34.261 1.00 3.22 C ATOM 2038 OE1 GLN A 130 32.204 -1.823 -34.648 1.00 33.04 O ATOM 2039 NE2 GLN A 130 34.312 -1.117 -34.966 1.00 32.45 N ATOM 0 H GLN A 130 31.510 0.793 -31.317 1.00 62.43 H new ATOM 0 HA GLN A 130 33.047 2.988 -32.581 1.00 4.33 H new ATOM 0 HB2 GLN A 130 33.946 1.167 -34.085 1.00 12.42 H new ATOM 0 HB3 GLN A 130 34.527 1.117 -32.432 1.00 12.42 H new ATOM 0 HG2 GLN A 130 33.811 -0.989 -32.224 1.00 12.43 H new ATOM 0 HG3 GLN A 130 32.163 -0.478 -32.528 1.00 12.43 H new ATOM 0 HE21 GLN A 130 35.105 -0.585 -34.606 1.00 32.45 H new ATOM 0 HE22 GLN A 130 34.381 -1.589 -35.868 1.00 32.45 H new ATOM 2048 N ASN A 131 30.358 2.669 -33.352 1.00 43.33 N ATOM 2049 CA ASN A 131 29.232 2.791 -34.270 1.00 22.15 C ATOM 2050 C ASN A 131 28.371 4.000 -33.919 1.00 50.35 C ATOM 2051 O ASN A 131 27.785 4.065 -32.838 1.00 0.02 O ATOM 2052 CB ASN A 131 28.381 1.520 -34.239 1.00 31.14 C ATOM 2053 CG ASN A 131 28.272 0.931 -32.845 1.00 4.14 C ATOM 2054 OD1 ASN A 131 27.370 1.277 -32.082 1.00 0.43 O ATOM 2055 ND2 ASN A 131 29.194 0.037 -32.507 1.00 43.54 N ATOM 0 H ASN A 131 30.200 3.083 -32.433 1.00 43.33 H new ATOM 0 HA ASN A 131 29.630 2.930 -35.275 1.00 22.15 H new ATOM 0 HB2 ASN A 131 27.383 1.745 -34.614 1.00 31.14 H new ATOM 0 HB3 ASN A 131 28.815 0.779 -34.911 1.00 31.14 H new ATOM 0 HD21 ASN A 131 29.173 -0.393 -31.582 1.00 43.54 H new ATOM 0 HD22 ASN A 131 29.924 -0.220 -33.172 1.00 43.54 H new ATOM 2062 N TYR A 132 28.300 4.957 -34.838 1.00 21.10 N ATOM 2063 CA TYR A 132 27.513 6.165 -34.625 1.00 52.41 C ATOM 2064 C TYR A 132 26.037 5.827 -34.432 1.00 13.43 C ATOM 2065 O TYR A 132 25.605 4.712 -34.713 1.00 24.50 O ATOM 2066 CB TYR A 132 27.679 7.122 -35.806 1.00 33.21 C ATOM 2067 CG TYR A 132 27.429 8.571 -35.452 1.00 0.23 C ATOM 2068 CD1 TYR A 132 28.150 9.193 -34.441 1.00 50.13 C ATOM 2069 CD2 TYR A 132 26.472 9.318 -36.130 1.00 74.51 C ATOM 2070 CE1 TYR A 132 27.925 10.517 -34.113 1.00 24.21 C ATOM 2071 CE2 TYR A 132 26.241 10.641 -35.810 1.00 72.13 C ATOM 2072 CZ TYR A 132 26.970 11.236 -34.801 1.00 63.12 C ATOM 2073 OH TYR A 132 26.743 12.555 -34.478 1.00 24.21 O ATOM 0 H TYR A 132 28.778 4.919 -35.738 1.00 21.10 H new ATOM 0 HA TYR A 132 27.877 6.650 -33.719 1.00 52.41 H new ATOM 0 HB2 TYR A 132 28.689 7.023 -36.204 1.00 33.21 H new ATOM 0 HB3 TYR A 132 26.993 6.827 -36.601 1.00 33.21 H new ATOM 0 HD1 TYR A 132 28.899 8.633 -33.902 1.00 50.13 H new ATOM 0 HD2 TYR A 132 25.900 8.855 -36.920 1.00 74.51 H new ATOM 0 HE1 TYR A 132 28.493 10.985 -33.323 1.00 24.21 H new ATOM 0 HE2 TYR A 132 25.494 11.207 -36.346 1.00 72.13 H new ATOM 0 HH TYR A 132 26.040 12.917 -35.057 1.00 24.21 H new TER 2083 TYR A 132 HETATM 2084 C1 MYR A 1 -0.020 13.209 6.942 1.00 34.50 C HETATM 2085 O1 MYR A 1 0.733 14.117 6.595 1.00 0.40 O HETATM 2086 C2 MYR A 1 0.415 11.765 6.682 1.00 54.41 C HETATM 2087 C3 MYR A 1 -0.282 11.090 5.478 1.00 44.42 C HETATM 2088 C4 MYR A 1 0.118 9.611 5.331 1.00 41.33 C HETATM 2089 C5 MYR A 1 -1.003 8.766 4.697 1.00 15.12 C HETATM 2090 C6 MYR A 1 -0.532 8.035 3.425 1.00 61.13 C HETATM 2091 C7 MYR A 1 -1.699 7.726 2.466 1.00 54.04 C HETATM 2092 C8 MYR A 1 -1.940 6.213 2.312 1.00 31.25 C HETATM 2093 C9 MYR A 1 -2.293 5.824 0.864 1.00 14.22 C HETATM 2094 C10 MYR A 1 -2.792 4.369 0.754 1.00 72.41 C HETATM 2095 C11 MYR A 1 -1.747 3.308 1.159 1.00 30.54 C HETATM 2096 C12 MYR A 1 -1.788 2.020 0.309 1.00 63.23 C HETATM 2097 C13 MYR A 1 -0.380 1.504 -0.035 1.00 33.10 C HETATM 2098 C14 MYR A 1 -0.345 -0.027 -0.147 1.00 14.12 C HETATM 0 H143 MYR A 1 -0.648 -0.468 0.802 1.00 14.12 H new HETATM 0 H142 MYR A 1 -1.029 -0.350 -0.932 1.00 14.12 H new HETATM 0 H141 MYR A 1 0.667 -0.351 -0.391 1.00 14.12 H new HETATM 0 H132 MYR A 1 -0.051 1.945 -0.976 1.00 33.10 H new HETATM 0 H131 MYR A 1 0.323 1.828 0.732 1.00 33.10 H new HETATM 0 H122 MYR A 1 -2.334 1.247 0.850 1.00 63.23 H new HETATM 0 H121 MYR A 1 -2.337 2.212 -0.612 1.00 63.23 H new HETATM 0 H112 MYR A 1 -0.752 3.747 1.084 1.00 30.54 H new HETATM 0 H111 MYR A 1 -1.901 3.044 2.205 1.00 30.54 H new HETATM 0 H102 MYR A 1 -3.675 4.251 1.382 1.00 72.41 H new HETATM 0 H101 MYR A 1 -3.105 4.181 -0.273 1.00 72.41 H new HETATM 0 H92 MYR A 1 -3.061 6.499 0.486 1.00 14.22 H new HETATM 0 H91 MYR A 1 -1.415 5.954 0.231 1.00 14.22 H new HETATM 0 H82 MYR A 1 -1.047 5.671 2.625 1.00 31.25 H new HETATM 0 H81 MYR A 1 -2.748 5.906 2.976 1.00 31.25 H new HETATM 0 H72 MYR A 1 -2.607 8.201 2.837 1.00 54.04 H new HETATM 0 H71 MYR A 1 -1.489 8.160 1.489 1.00 54.04 H new HETATM 0 H62 MYR A 1 0.208 8.647 2.909 1.00 61.13 H new HETATM 0 H61 MYR A 1 -0.037 7.105 3.704 1.00 61.13 H new HETATM 0 H52 MYR A 1 -1.360 8.035 5.423 1.00 15.12 H new HETATM 0 H51 MYR A 1 -1.847 9.410 4.452 1.00 15.12 H new HETATM 0 H42 MYR A 1 1.016 9.538 4.718 1.00 41.33 H new HETATM 0 H41 MYR A 1 0.367 9.204 6.311 1.00 41.33 H new HETATM 0 H32 MYR A 1 -1.363 11.162 5.598 1.00 44.42 H new HETATM 0 H31 MYR A 1 -0.026 11.627 4.564 1.00 44.42 H new HETATM 0 H22 MYR A 1 1.492 11.748 6.518 1.00 54.41 H new HETATM 0 H21 MYR A 1 0.219 11.174 7.577 1.00 54.41 H new