USER MOD reduce.3.24.130724 H: found=0, std=0, add=907, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 907 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 106 THR OG1 : rot 4:sc= 0.826 USER MOD Set 1.2: A 111 HIS : no HD1:sc= -0.699 K(o=0.13,f=-0.86) USER MOD Set 2.1: A 13 HIS : no HE2:sc= -0.171 K(o=-1.7,f=-4.2!) USER MOD Set 2.2: A 67 CYS SG : rot 23:sc= -2.08 USER MOD Set 2.3: A 69 SER OG : rot 168:sc= 0.557 USER MOD Single : A 1 GLY N :NH3+ -170:sc= -0.045 (180deg=-0.156) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 MET CE :methyl 162:sc= -0.127 (180deg=-0.565) USER MOD Single : A 11 CYS SG : rot 111:sc= 0.361 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ -163:sc= 1.19 (180deg=1.04) USER MOD Single : A 18 HIS : no HD1:sc= -0.4 K(o=-0.4,f=-2.2!) USER MOD Single : A 19 SER OG : rot 180:sc= 0.00465 USER MOD Single : A 20 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.35) USER MOD Single : A 21 SER OG : rot 180:sc= -0.0518 USER MOD Single : A 25 SER OG : rot -84:sc= 0.907 USER MOD Single : A 26 SER OG : rot -153:sc= 2.05 USER MOD Single : A 29 GLN : amide:sc= -0.517 X(o=-0.52,f=-1) USER MOD Single : A 31 LYS NZ :NH3+ -162:sc= -0.0855 (180deg=-0.406) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -140:sc= 0.869 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0.496 K(o=0.5,f=-0.0042) USER MOD Single : A 46 TYR OH : rot 30:sc= -0.75 USER MOD Single : A 48 GLN : amide:sc= -0.115 K(o=-0.12,f=-0.77) USER MOD Single : A 49 LYS NZ :NH3+ 168:sc= 0.766 (180deg=0.634) USER MOD Single : A 51 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0126) USER MOD Single : A 52 SER OG : rot -29:sc= 0.044 USER MOD Single : A 59 SER OG : rot 175:sc= -1.96! USER MOD Single : A 62 SER OG : rot -46:sc= 1.26 USER MOD Single : A 63 GLN : amide:sc= 1.74 K(o=1.7,f=-0.14) USER MOD Single : A 65 SER OG : rot 178:sc= -2.04 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ -150:sc= -0.734 (180deg=-2.26!) USER MOD Single : A 80 SER OG : rot 79:sc= 0.837 USER MOD Single : A 83 GLN : amide:sc= -1.2! C(o=-1.2!,f=-1.8!) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.0836 X(o=-0.084,f=-0.053) USER MOD Single : A 86 LYS NZ :NH3+ -166:sc= -0.0355 (180deg=-0.242) USER MOD Single : A 97 THR OG1 : rot -56:sc= 1.23 USER MOD Single : A 100 MET CE :methyl 169:sc= -2.03 (180deg=-2.09) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot 180:sc= 0.026 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.542 19.279 3.753 1.00 25.43 N ATOM 2 CA GLY A 1 25.028 18.967 2.402 1.00 44.23 C ATOM 3 C GLY A 1 24.476 17.563 2.308 1.00 30.21 C ATOM 4 O GLY A 1 23.575 17.298 1.515 1.00 22.42 O ATOM 0 H1 GLY A 1 25.752 20.295 3.818 1.00 25.43 H new ATOM 0 H2 GLY A 1 24.826 19.027 4.464 1.00 25.43 H new ATOM 0 H3 GLY A 1 26.410 18.734 3.929 1.00 25.43 H new ATOM 0 HA2 GLY A 1 24.247 19.680 2.139 1.00 44.23 H new ATOM 0 HA3 GLY A 1 25.830 19.089 1.674 1.00 44.23 H new ATOM 10 N SER A 2 25.014 16.662 3.120 1.00 63.11 N ATOM 11 CA SER A 2 24.581 15.276 3.137 1.00 44.43 C ATOM 12 C SER A 2 23.095 15.175 3.494 1.00 22.43 C ATOM 13 O SER A 2 22.667 15.638 4.554 1.00 34.13 O ATOM 14 CB SER A 2 25.420 14.499 4.141 1.00 12.25 C ATOM 15 OG SER A 2 26.804 14.737 3.930 1.00 64.21 O ATOM 0 H SER A 2 25.760 16.873 3.782 1.00 63.11 H new ATOM 0 HA SER A 2 24.717 14.850 2.143 1.00 44.43 H new ATOM 0 HB2 SER A 2 25.146 14.791 5.155 1.00 12.25 H new ATOM 0 HB3 SER A 2 25.211 13.433 4.049 1.00 12.25 H new ATOM 0 HG SER A 2 27.327 14.230 4.586 1.00 64.21 H new ATOM 21 N HIS A 3 22.319 14.578 2.608 1.00 65.02 N ATOM 22 CA HIS A 3 20.887 14.445 2.821 1.00 62.20 C ATOM 23 C HIS A 3 20.565 13.150 3.544 1.00 20.42 C ATOM 24 O HIS A 3 21.124 12.100 3.235 1.00 23.24 O ATOM 25 CB HIS A 3 20.123 14.501 1.490 1.00 31.45 C ATOM 26 CG HIS A 3 20.255 15.802 0.758 1.00 43.04 C ATOM 27 ND1 HIS A 3 19.397 16.862 0.940 1.00 52.44 N ATOM 28 CD2 HIS A 3 21.151 16.208 -0.171 1.00 63.51 C ATOM 29 CE1 HIS A 3 19.758 17.858 0.159 1.00 22.33 C ATOM 30 NE2 HIS A 3 20.817 17.488 -0.525 1.00 11.14 N ATOM 0 H HIS A 3 22.655 14.177 1.733 1.00 65.02 H new ATOM 0 HA HIS A 3 20.569 15.283 3.441 1.00 62.20 H new ATOM 0 HB2 HIS A 3 20.479 13.697 0.846 1.00 31.45 H new ATOM 0 HB3 HIS A 3 19.067 14.311 1.682 1.00 31.45 H new ATOM 0 HD2 HIS A 3 21.976 15.630 -0.561 1.00 63.51 H new ATOM 0 HE1 HIS A 3 19.267 18.817 0.092 1.00 22.33 H new ATOM 0 HE2 HIS A 3 21.311 18.061 -1.209 1.00 11.14 H new ATOM 39 N MET A 4 19.674 13.228 4.505 1.00 3.22 N ATOM 40 CA MET A 4 19.254 12.057 5.256 1.00 64.30 C ATOM 41 C MET A 4 17.770 12.140 5.540 1.00 72.24 C ATOM 42 O MET A 4 17.196 13.231 5.549 1.00 12.12 O ATOM 43 CB MET A 4 20.044 11.925 6.565 1.00 34.11 C ATOM 44 CG MET A 4 19.864 13.091 7.523 1.00 4.13 C ATOM 45 SD MET A 4 20.709 12.841 9.098 1.00 64.10 S ATOM 46 CE MET A 4 22.407 12.668 8.554 1.00 13.12 C ATOM 0 H MET A 4 19.220 14.096 4.790 1.00 3.22 H new ATOM 0 HA MET A 4 19.457 11.170 4.656 1.00 64.30 H new ATOM 0 HB2 MET A 4 19.741 11.007 7.068 1.00 34.11 H new ATOM 0 HB3 MET A 4 21.103 11.824 6.328 1.00 34.11 H new ATOM 0 HG2 MET A 4 20.240 14.001 7.055 1.00 4.13 H new ATOM 0 HG3 MET A 4 18.800 13.243 7.707 1.00 4.13 H new ATOM 0 HE1 MET A 4 23.078 12.827 9.398 1.00 13.12 H new ATOM 0 HE2 MET A 4 22.560 11.666 8.153 1.00 13.12 H new ATOM 0 HE3 MET A 4 22.618 13.405 7.779 1.00 13.12 H new ATOM 56 N GLU A 5 17.152 11.004 5.769 1.00 52.41 N ATOM 57 CA GLU A 5 15.722 10.952 6.014 1.00 72.32 C ATOM 58 C GLU A 5 15.367 11.648 7.326 1.00 33.30 C ATOM 59 O GLU A 5 16.129 11.585 8.295 1.00 53.43 O ATOM 60 CB GLU A 5 15.239 9.503 6.045 1.00 45.35 C ATOM 61 CG GLU A 5 15.628 8.695 4.816 1.00 53.04 C ATOM 62 CD GLU A 5 15.240 9.376 3.523 1.00 22.22 C ATOM 63 OE1 GLU A 5 16.132 9.605 2.679 1.00 1.24 O ATOM 64 OE2 GLU A 5 14.045 9.702 3.347 1.00 61.24 O ATOM 0 H GLU A 5 17.617 10.097 5.792 1.00 52.41 H new ATOM 0 HA GLU A 5 15.222 11.476 5.199 1.00 72.32 H new ATOM 0 HB2 GLU A 5 15.644 9.015 6.931 1.00 45.35 H new ATOM 0 HB3 GLU A 5 14.154 9.495 6.144 1.00 45.35 H new ATOM 0 HG2 GLU A 5 16.705 8.525 4.824 1.00 53.04 H new ATOM 0 HG3 GLU A 5 15.151 7.716 4.864 1.00 53.04 H new ATOM 71 N PRO A 6 14.226 12.350 7.365 1.00 20.12 N ATOM 72 CA PRO A 6 13.761 13.018 8.578 1.00 42.00 C ATOM 73 C PRO A 6 13.374 12.009 9.660 1.00 3.34 C ATOM 74 O PRO A 6 13.145 10.832 9.373 1.00 74.13 O ATOM 75 CB PRO A 6 12.532 13.808 8.111 1.00 41.11 C ATOM 76 CG PRO A 6 12.073 13.110 6.881 1.00 30.12 C ATOM 77 CD PRO A 6 13.308 12.553 6.231 1.00 43.20 C ATOM 0 HA PRO A 6 14.531 13.647 9.025 1.00 42.00 H new ATOM 0 HB2 PRO A 6 11.754 13.816 8.874 1.00 41.11 H new ATOM 0 HB3 PRO A 6 12.786 14.848 7.904 1.00 41.11 H new ATOM 0 HG2 PRO A 6 11.369 12.315 7.124 1.00 30.12 H new ATOM 0 HG3 PRO A 6 11.557 13.799 6.212 1.00 30.12 H new ATOM 0 HD2 PRO A 6 13.101 11.619 5.709 1.00 43.20 H new ATOM 0 HD3 PRO A 6 13.722 13.244 5.497 1.00 43.20 H new ATOM 85 N ALA A 7 13.300 12.476 10.895 1.00 73.13 N ATOM 86 CA ALA A 7 12.973 11.616 12.025 1.00 22.31 C ATOM 87 C ALA A 7 11.535 11.113 11.951 1.00 44.01 C ATOM 88 O ALA A 7 11.205 10.071 12.515 1.00 45.33 O ATOM 89 CB ALA A 7 13.205 12.355 13.332 1.00 32.43 C ATOM 0 H ALA A 7 13.463 13.452 11.144 1.00 73.13 H new ATOM 0 HA ALA A 7 13.631 10.748 11.983 1.00 22.31 H new ATOM 0 HB1 ALA A 7 12.957 11.702 14.168 1.00 32.43 H new ATOM 0 HB2 ALA A 7 14.252 12.652 13.401 1.00 32.43 H new ATOM 0 HB3 ALA A 7 12.573 13.243 13.365 1.00 32.43 H new ATOM 95 N ARG A 8 10.686 11.855 11.260 1.00 53.31 N ATOM 96 CA ARG A 8 9.286 11.490 11.129 1.00 71.20 C ATOM 97 C ARG A 8 8.830 11.550 9.680 1.00 54.42 C ATOM 98 O ARG A 8 8.782 12.624 9.075 1.00 23.31 O ATOM 99 CB ARG A 8 8.410 12.409 11.986 1.00 31.23 C ATOM 100 CG ARG A 8 8.533 12.170 13.480 1.00 25.44 C ATOM 101 CD ARG A 8 7.954 10.822 13.874 1.00 32.44 C ATOM 102 NE ARG A 8 8.033 10.596 15.313 1.00 60.22 N ATOM 103 CZ ARG A 8 7.100 9.973 16.036 1.00 51.20 C ATOM 104 NH1 ARG A 8 5.995 9.506 15.457 1.00 31.33 N ATOM 105 NH2 ARG A 8 7.271 9.822 17.341 1.00 43.22 N ATOM 0 H ARG A 8 10.943 12.717 10.779 1.00 53.31 H new ATOM 0 HA ARG A 8 9.180 10.463 11.479 1.00 71.20 H new ATOM 0 HB2 ARG A 8 8.672 13.445 11.772 1.00 31.23 H new ATOM 0 HB3 ARG A 8 7.369 12.277 11.693 1.00 31.23 H new ATOM 0 HG2 ARG A 8 9.582 12.217 13.773 1.00 25.44 H new ATOM 0 HG3 ARG A 8 8.015 12.962 14.021 1.00 25.44 H new ATOM 0 HD2 ARG A 8 6.913 10.766 13.554 1.00 32.44 H new ATOM 0 HD3 ARG A 8 8.491 10.030 13.352 1.00 32.44 H new ATOM 0 HE ARG A 8 8.860 10.939 15.801 1.00 60.22 H new ATOM 0 HH11 ARG A 8 5.857 9.623 14.453 1.00 31.33 H new ATOM 0 HH12 ARG A 8 5.287 9.031 16.017 1.00 31.33 H new ATOM 0 HH21 ARG A 8 8.113 10.181 17.790 1.00 43.22 H new ATOM 0 HH22 ARG A 8 6.560 9.346 17.897 1.00 43.22 H new ATOM 119 N VAL A 9 8.510 10.399 9.125 1.00 25.41 N ATOM 120 CA VAL A 9 7.999 10.328 7.767 1.00 62.14 C ATOM 121 C VAL A 9 6.560 9.845 7.784 1.00 2.42 C ATOM 122 O VAL A 9 6.191 9.000 8.600 1.00 74.10 O ATOM 123 CB VAL A 9 8.844 9.392 6.861 1.00 1.13 C ATOM 124 CG1 VAL A 9 10.272 9.895 6.751 1.00 1.41 C ATOM 125 CG2 VAL A 9 8.814 7.959 7.373 1.00 13.34 C ATOM 0 H VAL A 9 8.594 9.497 9.593 1.00 25.41 H new ATOM 0 HA VAL A 9 8.059 11.333 7.349 1.00 62.14 H new ATOM 0 HB VAL A 9 8.401 9.401 5.865 1.00 1.13 H new ATOM 0 HG11 VAL A 9 10.846 9.224 6.112 1.00 1.41 H new ATOM 0 HG12 VAL A 9 10.273 10.896 6.320 1.00 1.41 H new ATOM 0 HG13 VAL A 9 10.724 9.926 7.742 1.00 1.41 H new ATOM 0 HG21 VAL A 9 9.414 7.326 6.719 1.00 13.34 H new ATOM 0 HG22 VAL A 9 9.221 7.925 8.384 1.00 13.34 H new ATOM 0 HG23 VAL A 9 7.786 7.598 7.383 1.00 13.34 H new ATOM 135 N ARG A 10 5.757 10.377 6.898 1.00 2.34 N ATOM 136 CA ARG A 10 4.362 10.005 6.826 1.00 22.35 C ATOM 137 C ARG A 10 4.052 9.443 5.463 1.00 55.04 C ATOM 138 O ARG A 10 4.492 9.985 4.442 1.00 3.32 O ATOM 139 CB ARG A 10 3.465 11.208 7.115 1.00 62.34 C ATOM 140 CG ARG A 10 1.991 10.857 7.210 1.00 3.20 C ATOM 141 CD ARG A 10 1.147 12.077 7.502 1.00 52.43 C ATOM 142 NE ARG A 10 -0.240 11.716 7.787 1.00 63.23 N ATOM 143 CZ ARG A 10 -1.234 12.591 7.936 1.00 71.01 C ATOM 144 NH1 ARG A 10 -1.023 13.892 7.737 1.00 21.13 N ATOM 145 NH2 ARG A 10 -2.441 12.165 8.268 1.00 52.42 N ATOM 0 H ARG A 10 6.045 11.074 6.211 1.00 2.34 H new ATOM 0 HA ARG A 10 4.167 9.243 7.581 1.00 22.35 H new ATOM 0 HB2 ARG A 10 3.781 11.670 8.050 1.00 62.34 H new ATOM 0 HB3 ARG A 10 3.603 11.951 6.330 1.00 62.34 H new ATOM 0 HG2 ARG A 10 1.663 10.402 6.275 1.00 3.20 H new ATOM 0 HG3 ARG A 10 1.843 10.115 7.994 1.00 3.20 H new ATOM 0 HD2 ARG A 10 1.566 12.615 8.353 1.00 52.43 H new ATOM 0 HD3 ARG A 10 1.179 12.755 6.649 1.00 52.43 H new ATOM 0 HE ARG A 10 -0.463 10.725 7.878 1.00 63.23 H new ATOM 0 HH11 ARG A 10 -0.096 14.223 7.469 1.00 21.13 H new ATOM 0 HH12 ARG A 10 -1.788 14.556 7.853 1.00 21.13 H new ATOM 0 HH21 ARG A 10 -2.609 11.169 8.409 1.00 52.42 H new ATOM 0 HH22 ARG A 10 -3.204 12.832 8.383 1.00 52.42 H new ATOM 159 N CYS A 11 3.312 8.361 5.436 1.00 42.53 N ATOM 160 CA CYS A 11 2.960 7.734 4.194 1.00 75.21 C ATOM 161 C CYS A 11 1.625 7.015 4.295 1.00 51.12 C ATOM 162 O CYS A 11 1.213 6.574 5.375 1.00 14.15 O ATOM 163 CB CYS A 11 4.062 6.761 3.758 1.00 10.15 C ATOM 164 SG CYS A 11 4.509 5.532 5.004 1.00 1.30 S ATOM 0 H CYS A 11 2.943 7.898 6.266 1.00 42.53 H new ATOM 0 HA CYS A 11 2.860 8.515 3.440 1.00 75.21 H new ATOM 0 HB2 CYS A 11 3.737 6.244 2.855 1.00 10.15 H new ATOM 0 HB3 CYS A 11 4.951 7.333 3.494 1.00 10.15 H new ATOM 0 HG CYS A 11 4.121 4.355 4.612 1.00 1.30 H new ATOM 170 N SER A 12 0.948 6.934 3.179 1.00 42.35 N ATOM 171 CA SER A 12 -0.296 6.223 3.079 1.00 35.30 C ATOM 172 C SER A 12 -0.072 5.003 2.202 1.00 53.35 C ATOM 173 O SER A 12 0.851 4.995 1.381 1.00 30.41 O ATOM 174 CB SER A 12 -1.371 7.134 2.491 1.00 2.45 C ATOM 175 OG SER A 12 -1.462 8.341 3.236 1.00 64.31 O ATOM 0 H SER A 12 1.250 7.365 2.305 1.00 42.35 H new ATOM 0 HA SER A 12 -0.637 5.905 4.064 1.00 35.30 H new ATOM 0 HB2 SER A 12 -1.136 7.359 1.451 1.00 2.45 H new ATOM 0 HB3 SER A 12 -2.333 6.622 2.497 1.00 2.45 H new ATOM 0 HG SER A 12 -2.154 8.915 2.846 1.00 64.31 H new ATOM 181 N HIS A 13 -0.877 3.976 2.361 1.00 62.15 N ATOM 182 CA HIS A 13 -0.650 2.766 1.599 1.00 73.20 C ATOM 183 C HIS A 13 -1.923 2.184 1.016 1.00 22.34 C ATOM 184 O HIS A 13 -3.003 2.305 1.590 1.00 23.02 O ATOM 185 CB HIS A 13 0.067 1.703 2.453 1.00 32.23 C ATOM 186 CG HIS A 13 -0.789 1.062 3.516 1.00 25.24 C ATOM 187 ND1 HIS A 13 -1.497 -0.106 3.310 1.00 10.54 N ATOM 188 CD2 HIS A 13 -1.025 1.416 4.800 1.00 24.50 C ATOM 189 CE1 HIS A 13 -2.128 -0.439 4.418 1.00 35.10 C ATOM 190 NE2 HIS A 13 -1.859 0.463 5.336 1.00 50.04 N ATOM 0 H HIS A 13 -1.676 3.951 2.994 1.00 62.15 H new ATOM 0 HA HIS A 13 -0.012 3.052 0.763 1.00 73.20 H new ATOM 0 HB2 HIS A 13 0.447 0.923 1.793 1.00 32.23 H new ATOM 0 HB3 HIS A 13 0.931 2.164 2.932 1.00 32.23 H new ATOM 0 HD1 HIS A 13 -1.527 -0.630 2.435 1.00 10.54 H new ATOM 0 HD2 HIS A 13 -0.632 2.284 5.309 1.00 24.50 H new ATOM 0 HE1 HIS A 13 -2.759 -1.306 4.550 1.00 35.10 H new ATOM 199 N LEU A 14 -1.764 1.544 -0.123 1.00 75.42 N ATOM 200 CA LEU A 14 -2.833 0.827 -0.781 1.00 33.21 C ATOM 201 C LEU A 14 -2.524 -0.655 -0.618 1.00 10.10 C ATOM 202 O LEU A 14 -1.428 -1.101 -0.968 1.00 61.03 O ATOM 203 CB LEU A 14 -2.875 1.200 -2.279 1.00 13.15 C ATOM 204 CG LEU A 14 -4.235 1.085 -3.000 1.00 34.14 C ATOM 205 CD1 LEU A 14 -4.824 -0.314 -2.888 1.00 4.43 C ATOM 206 CD2 LEU A 14 -5.208 2.127 -2.479 1.00 5.22 C ATOM 0 H LEU A 14 -0.876 1.507 -0.624 1.00 75.42 H new ATOM 0 HA LEU A 14 -3.802 1.077 -0.349 1.00 33.21 H new ATOM 0 HB2 LEU A 14 -2.525 2.227 -2.381 1.00 13.15 H new ATOM 0 HB3 LEU A 14 -2.160 0.567 -2.804 1.00 13.15 H new ATOM 0 HG LEU A 14 -4.059 1.274 -4.059 1.00 34.14 H new ATOM 0 HD11 LEU A 14 -5.781 -0.349 -3.410 1.00 4.43 H new ATOM 0 HD12 LEU A 14 -4.140 -1.034 -3.337 1.00 4.43 H new ATOM 0 HD13 LEU A 14 -4.974 -0.562 -1.837 1.00 4.43 H new ATOM 0 HD21 LEU A 14 -6.160 2.029 -3.000 1.00 5.22 H new ATOM 0 HD22 LEU A 14 -5.362 1.978 -1.410 1.00 5.22 H new ATOM 0 HD23 LEU A 14 -4.801 3.123 -2.652 1.00 5.22 H new ATOM 218 N LEU A 15 -3.447 -1.403 -0.064 1.00 34.14 N ATOM 219 CA LEU A 15 -3.207 -2.814 0.187 1.00 32.00 C ATOM 220 C LEU A 15 -4.157 -3.687 -0.613 1.00 24.14 C ATOM 221 O LEU A 15 -5.370 -3.523 -0.546 1.00 60.10 O ATOM 222 CB LEU A 15 -3.320 -3.109 1.703 1.00 54.54 C ATOM 223 CG LEU A 15 -2.931 -4.531 2.185 1.00 34.10 C ATOM 224 CD1 LEU A 15 -4.040 -5.534 1.928 1.00 63.20 C ATOM 225 CD2 LEU A 15 -1.642 -4.992 1.528 1.00 41.02 C ATOM 0 H LEU A 15 -4.367 -1.067 0.222 1.00 34.14 H new ATOM 0 HA LEU A 15 -2.195 -3.055 -0.140 1.00 32.00 H new ATOM 0 HB2 LEU A 15 -2.695 -2.391 2.233 1.00 54.54 H new ATOM 0 HB3 LEU A 15 -4.350 -2.920 2.007 1.00 54.54 H new ATOM 0 HG LEU A 15 -2.774 -4.475 3.262 1.00 34.10 H new ATOM 0 HD11 LEU A 15 -3.729 -6.518 2.279 1.00 63.20 H new ATOM 0 HD12 LEU A 15 -4.940 -5.226 2.461 1.00 63.20 H new ATOM 0 HD13 LEU A 15 -4.249 -5.580 0.859 1.00 63.20 H new ATOM 0 HD21 LEU A 15 -1.390 -5.992 1.882 1.00 41.02 H new ATOM 0 HD22 LEU A 15 -1.772 -5.012 0.446 1.00 41.02 H new ATOM 0 HD23 LEU A 15 -0.837 -4.303 1.784 1.00 41.02 H new ATOM 237 N VAL A 16 -3.593 -4.607 -1.364 1.00 55.12 N ATOM 238 CA VAL A 16 -4.369 -5.559 -2.126 1.00 15.40 C ATOM 239 C VAL A 16 -3.904 -6.982 -1.796 1.00 41.53 C ATOM 240 O VAL A 16 -2.725 -7.319 -1.951 1.00 23.31 O ATOM 241 CB VAL A 16 -4.269 -5.290 -3.657 1.00 43.02 C ATOM 242 CG1 VAL A 16 -2.825 -5.295 -4.127 1.00 0.21 C ATOM 243 CG2 VAL A 16 -5.090 -6.298 -4.442 1.00 2.03 C ATOM 0 H VAL A 16 -2.584 -4.716 -1.463 1.00 55.12 H new ATOM 0 HA VAL A 16 -5.417 -5.447 -1.847 1.00 15.40 H new ATOM 0 HB VAL A 16 -4.678 -4.297 -3.842 1.00 43.02 H new ATOM 0 HG11 VAL A 16 -2.791 -5.104 -5.200 1.00 0.21 H new ATOM 0 HG12 VAL A 16 -2.269 -4.518 -3.602 1.00 0.21 H new ATOM 0 HG13 VAL A 16 -2.377 -6.266 -3.917 1.00 0.21 H new ATOM 0 HG21 VAL A 16 -5.003 -6.087 -5.508 1.00 2.03 H new ATOM 0 HG22 VAL A 16 -4.722 -7.304 -4.240 1.00 2.03 H new ATOM 0 HG23 VAL A 16 -6.136 -6.227 -4.143 1.00 2.03 H new ATOM 253 N LYS A 17 -4.817 -7.798 -1.300 1.00 23.32 N ATOM 254 CA LYS A 17 -4.486 -9.168 -0.928 1.00 53.51 C ATOM 255 C LYS A 17 -4.666 -10.126 -2.095 1.00 24.04 C ATOM 256 O LYS A 17 -5.215 -9.765 -3.137 1.00 61.44 O ATOM 257 CB LYS A 17 -5.340 -9.644 0.245 1.00 71.01 C ATOM 258 CG LYS A 17 -5.052 -8.958 1.564 1.00 73.54 C ATOM 259 CD LYS A 17 -5.806 -9.639 2.691 1.00 14.21 C ATOM 260 CE LYS A 17 -5.501 -9.011 4.037 1.00 53.14 C ATOM 261 NZ LYS A 17 -6.090 -9.798 5.148 1.00 12.44 N ATOM 0 H LYS A 17 -5.791 -7.540 -1.145 1.00 23.32 H new ATOM 0 HA LYS A 17 -3.437 -9.166 -0.633 1.00 53.51 H new ATOM 0 HB2 LYS A 17 -6.390 -9.493 -0.004 1.00 71.01 H new ATOM 0 HB3 LYS A 17 -5.193 -10.717 0.371 1.00 71.01 H new ATOM 0 HG2 LYS A 17 -3.981 -8.982 1.768 1.00 73.54 H new ATOM 0 HG3 LYS A 17 -5.342 -7.909 1.506 1.00 73.54 H new ATOM 0 HD2 LYS A 17 -6.877 -9.581 2.498 1.00 14.21 H new ATOM 0 HD3 LYS A 17 -5.543 -10.697 2.716 1.00 14.21 H new ATOM 0 HE2 LYS A 17 -4.422 -8.941 4.171 1.00 53.14 H new ATOM 0 HE3 LYS A 17 -5.892 -7.994 4.063 1.00 53.14 H new ATOM 0 HZ1 LYS A 17 -6.120 -9.215 6.009 1.00 12.44 H new ATOM 0 HZ2 LYS A 17 -7.055 -10.089 4.893 1.00 12.44 H new ATOM 0 HZ3 LYS A 17 -5.508 -10.642 5.322 1.00 12.44 H new ATOM 275 N HIS A 18 -4.206 -11.352 -1.902 1.00 61.14 N ATOM 276 CA HIS A 18 -4.340 -12.399 -2.901 1.00 10.13 C ATOM 277 C HIS A 18 -4.748 -13.705 -2.226 1.00 35.54 C ATOM 278 O HIS A 18 -4.624 -13.836 -1.006 1.00 65.03 O ATOM 279 CB HIS A 18 -3.042 -12.568 -3.733 1.00 41.23 C ATOM 280 CG HIS A 18 -1.818 -12.976 -2.951 1.00 11.13 C ATOM 281 ND1 HIS A 18 -1.012 -14.034 -3.310 1.00 25.23 N ATOM 282 CD2 HIS A 18 -1.248 -12.438 -1.848 1.00 30.31 C ATOM 283 CE1 HIS A 18 -0.006 -14.127 -2.462 1.00 70.40 C ATOM 284 NE2 HIS A 18 -0.127 -13.170 -1.563 1.00 1.24 N ATOM 0 H HIS A 18 -3.730 -11.648 -1.050 1.00 61.14 H new ATOM 0 HA HIS A 18 -5.122 -12.110 -3.603 1.00 10.13 H new ATOM 0 HB2 HIS A 18 -3.222 -13.313 -4.508 1.00 41.23 H new ATOM 0 HB3 HIS A 18 -2.831 -11.626 -4.240 1.00 41.23 H new ATOM 0 HD2 HIS A 18 -1.612 -11.586 -1.293 1.00 30.31 H new ATOM 0 HE1 HIS A 18 0.784 -14.863 -2.498 1.00 70.40 H new ATOM 0 HE2 HIS A 18 0.510 -13.003 -0.784 1.00 1.24 H new ATOM 293 N SER A 19 -5.231 -14.652 -3.017 1.00 71.15 N ATOM 294 CA SER A 19 -5.733 -15.929 -2.509 1.00 41.24 C ATOM 295 C SER A 19 -4.701 -16.691 -1.662 1.00 61.13 C ATOM 296 O SER A 19 -5.051 -17.297 -0.642 1.00 22.42 O ATOM 297 CB SER A 19 -6.224 -16.793 -3.673 1.00 75.34 C ATOM 298 OG SER A 19 -5.307 -16.754 -4.761 1.00 60.42 O ATOM 0 H SER A 19 -5.288 -14.560 -4.031 1.00 71.15 H new ATOM 0 HA SER A 19 -6.565 -15.704 -1.841 1.00 41.24 H new ATOM 0 HB2 SER A 19 -6.352 -17.822 -3.338 1.00 75.34 H new ATOM 0 HB3 SER A 19 -7.201 -16.442 -4.004 1.00 75.34 H new ATOM 0 HG SER A 19 -5.642 -17.315 -5.492 1.00 60.42 H new ATOM 304 N GLN A 20 -3.442 -16.661 -2.075 1.00 2.40 N ATOM 305 CA GLN A 20 -2.397 -17.359 -1.341 1.00 51.23 C ATOM 306 C GLN A 20 -1.940 -16.558 -0.127 1.00 51.11 C ATOM 307 O GLN A 20 -0.945 -15.836 -0.174 1.00 62.21 O ATOM 308 CB GLN A 20 -1.209 -17.698 -2.248 1.00 31.43 C ATOM 309 CG GLN A 20 -1.553 -18.667 -3.369 1.00 1.30 C ATOM 310 CD GLN A 20 -2.176 -19.950 -2.855 1.00 62.12 C ATOM 311 OE1 GLN A 20 -3.397 -20.056 -2.728 1.00 21.14 O ATOM 312 NE2 GLN A 20 -1.351 -20.925 -2.551 1.00 12.33 N ATOM 0 H GLN A 20 -3.121 -16.165 -2.907 1.00 2.40 H new ATOM 0 HA GLN A 20 -2.824 -18.296 -0.983 1.00 51.23 H new ATOM 0 HB2 GLN A 20 -0.820 -16.777 -2.682 1.00 31.43 H new ATOM 0 HB3 GLN A 20 -0.411 -18.126 -1.642 1.00 31.43 H new ATOM 0 HG2 GLN A 20 -2.241 -18.185 -4.063 1.00 1.30 H new ATOM 0 HG3 GLN A 20 -0.649 -18.905 -3.930 1.00 1.30 H new ATOM 0 HE21 GLN A 20 -0.346 -20.798 -2.670 1.00 12.33 H new ATOM 0 HE22 GLN A 20 -1.715 -21.809 -2.196 1.00 12.33 H new ATOM 321 N SER A 21 -2.691 -16.673 0.943 1.00 44.04 N ATOM 322 CA SER A 21 -2.389 -15.987 2.171 1.00 53.51 C ATOM 323 C SER A 21 -2.901 -16.813 3.345 1.00 32.14 C ATOM 324 O SER A 21 -3.610 -17.806 3.147 1.00 70.43 O ATOM 325 CB SER A 21 -3.035 -14.588 2.168 1.00 24.43 C ATOM 326 OG SER A 21 -2.633 -13.824 3.300 1.00 23.10 O ATOM 0 H SER A 21 -3.532 -17.249 0.983 1.00 44.04 H new ATOM 0 HA SER A 21 -1.310 -15.863 2.266 1.00 53.51 H new ATOM 0 HB2 SER A 21 -2.758 -14.061 1.255 1.00 24.43 H new ATOM 0 HB3 SER A 21 -4.120 -14.688 2.162 1.00 24.43 H new ATOM 0 HG SER A 21 -3.059 -12.942 3.267 1.00 23.10 H new ATOM 332 N ARG A 22 -2.542 -16.413 4.557 1.00 3.23 N ATOM 333 CA ARG A 22 -2.983 -17.111 5.756 1.00 65.14 C ATOM 334 C ARG A 22 -4.489 -16.940 5.958 1.00 53.00 C ATOM 335 O ARG A 22 -5.136 -17.756 6.607 1.00 52.44 O ATOM 336 CB ARG A 22 -2.184 -16.634 6.991 1.00 64.41 C ATOM 337 CG ARG A 22 -2.267 -15.136 7.276 1.00 62.14 C ATOM 338 CD ARG A 22 -3.500 -14.786 8.092 1.00 74.52 C ATOM 339 NE ARG A 22 -3.648 -13.346 8.286 1.00 50.11 N ATOM 340 CZ ARG A 22 -4.409 -12.791 9.230 1.00 55.34 C ATOM 341 NH1 ARG A 22 -5.084 -13.560 10.086 1.00 33.30 N ATOM 342 NH2 ARG A 22 -4.498 -11.469 9.321 1.00 54.35 N ATOM 0 H ARG A 22 -1.944 -15.606 4.736 1.00 3.23 H new ATOM 0 HA ARG A 22 -2.787 -18.176 5.629 1.00 65.14 H new ATOM 0 HB2 ARG A 22 -2.541 -17.175 7.867 1.00 64.41 H new ATOM 0 HB3 ARG A 22 -1.137 -16.905 6.854 1.00 64.41 H new ATOM 0 HG2 ARG A 22 -1.373 -14.818 7.813 1.00 62.14 H new ATOM 0 HG3 ARG A 22 -2.286 -14.587 6.335 1.00 62.14 H new ATOM 0 HD2 ARG A 22 -4.386 -15.176 7.591 1.00 74.52 H new ATOM 0 HD3 ARG A 22 -3.441 -15.277 9.063 1.00 74.52 H new ATOM 0 HE ARG A 22 -3.136 -12.725 7.659 1.00 50.11 H new ATOM 0 HH11 ARG A 22 -5.019 -14.576 10.020 1.00 33.30 H new ATOM 0 HH12 ARG A 22 -5.665 -13.132 10.807 1.00 33.30 H new ATOM 0 HH21 ARG A 22 -3.984 -10.877 8.668 1.00 54.35 H new ATOM 0 HH22 ARG A 22 -5.080 -11.046 10.043 1.00 54.35 H new ATOM 356 N ARG A 23 -5.033 -15.870 5.393 1.00 62.25 N ATOM 357 CA ARG A 23 -6.457 -15.598 5.451 1.00 45.12 C ATOM 358 C ARG A 23 -6.852 -14.682 4.306 1.00 4.44 C ATOM 359 O ARG A 23 -6.641 -13.468 4.375 1.00 25.22 O ATOM 360 CB ARG A 23 -6.860 -14.949 6.782 1.00 62.51 C ATOM 361 CG ARG A 23 -8.366 -14.745 6.924 1.00 74.33 C ATOM 362 CD ARG A 23 -8.716 -13.905 8.143 1.00 42.34 C ATOM 363 NE ARG A 23 -10.166 -13.708 8.270 1.00 43.20 N ATOM 364 CZ ARG A 23 -10.771 -12.514 8.364 1.00 72.33 C ATOM 365 NH1 ARG A 23 -10.055 -11.391 8.363 1.00 41.35 N ATOM 366 NH2 ARG A 23 -12.094 -12.448 8.461 1.00 44.32 N ATOM 0 H ARG A 23 -4.497 -15.168 4.883 1.00 62.25 H new ATOM 0 HA ARG A 23 -6.979 -16.551 5.368 1.00 45.12 H new ATOM 0 HB2 ARG A 23 -6.506 -15.572 7.604 1.00 62.51 H new ATOM 0 HB3 ARG A 23 -6.360 -13.985 6.874 1.00 62.51 H new ATOM 0 HG2 ARG A 23 -8.752 -14.261 6.027 1.00 74.33 H new ATOM 0 HG3 ARG A 23 -8.858 -15.715 6.999 1.00 74.33 H new ATOM 0 HD2 ARG A 23 -8.335 -14.391 9.041 1.00 42.34 H new ATOM 0 HD3 ARG A 23 -8.222 -12.936 8.071 1.00 42.34 H new ATOM 0 HE ARG A 23 -10.756 -14.540 8.288 1.00 43.20 H new ATOM 0 HH11 ARG A 23 -9.039 -11.434 8.290 1.00 41.35 H new ATOM 0 HH12 ARG A 23 -10.523 -10.488 8.435 1.00 41.35 H new ATOM 0 HH21 ARG A 23 -12.648 -13.304 8.464 1.00 44.32 H new ATOM 0 HH22 ARG A 23 -12.556 -11.541 8.533 1.00 44.32 H new ATOM 380 N PRO A 24 -7.407 -15.243 3.230 1.00 32.41 N ATOM 381 CA PRO A 24 -7.852 -14.461 2.084 1.00 34.23 C ATOM 382 C PRO A 24 -9.177 -13.757 2.377 1.00 4.50 C ATOM 383 O PRO A 24 -10.198 -14.030 1.752 1.00 52.34 O ATOM 384 CB PRO A 24 -8.025 -15.513 0.989 1.00 14.13 C ATOM 385 CG PRO A 24 -8.358 -16.765 1.720 1.00 72.53 C ATOM 386 CD PRO A 24 -7.645 -16.689 3.043 1.00 4.42 C ATOM 0 HA PRO A 24 -7.154 -13.669 1.813 1.00 34.23 H new ATOM 0 HB2 PRO A 24 -8.819 -15.236 0.295 1.00 14.13 H new ATOM 0 HB3 PRO A 24 -7.114 -15.627 0.402 1.00 14.13 H new ATOM 0 HG2 PRO A 24 -9.435 -16.856 1.864 1.00 72.53 H new ATOM 0 HG3 PRO A 24 -8.037 -17.641 1.156 1.00 72.53 H new ATOM 0 HD2 PRO A 24 -8.251 -17.103 3.849 1.00 4.42 H new ATOM 0 HD3 PRO A 24 -6.711 -17.250 3.027 1.00 4.42 H new ATOM 394 N SER A 25 -9.152 -12.872 3.348 1.00 15.23 N ATOM 395 CA SER A 25 -10.326 -12.130 3.740 1.00 75.33 C ATOM 396 C SER A 25 -9.935 -10.724 4.168 1.00 44.10 C ATOM 397 O SER A 25 -8.768 -10.464 4.503 1.00 0.02 O ATOM 398 CB SER A 25 -11.041 -12.847 4.882 1.00 51.33 C ATOM 399 OG SER A 25 -11.285 -14.206 4.554 1.00 55.12 O ATOM 0 H SER A 25 -8.316 -12.647 3.888 1.00 15.23 H new ATOM 0 HA SER A 25 -11.003 -12.063 2.888 1.00 75.33 H new ATOM 0 HB2 SER A 25 -10.436 -12.790 5.787 1.00 51.33 H new ATOM 0 HB3 SER A 25 -11.985 -12.346 5.097 1.00 51.33 H new ATOM 0 HG SER A 25 -12.112 -14.273 4.032 1.00 55.12 H new ATOM 405 N SER A 26 -10.892 -9.828 4.152 1.00 51.14 N ATOM 406 CA SER A 26 -10.660 -8.457 4.528 1.00 71.35 C ATOM 407 C SER A 26 -11.951 -7.844 5.036 1.00 31.21 C ATOM 408 O SER A 26 -12.911 -8.560 5.325 1.00 62.51 O ATOM 409 CB SER A 26 -10.160 -7.679 3.317 1.00 14.10 C ATOM 410 OG SER A 26 -11.124 -7.695 2.268 1.00 74.24 O ATOM 0 H SER A 26 -11.853 -10.030 3.878 1.00 51.14 H new ATOM 0 HA SER A 26 -9.910 -8.416 5.318 1.00 71.35 H new ATOM 0 HB2 SER A 26 -9.946 -6.649 3.604 1.00 14.10 H new ATOM 0 HB3 SER A 26 -9.224 -8.112 2.963 1.00 14.10 H new ATOM 0 HG SER A 26 -10.671 -7.589 1.406 1.00 74.24 H new ATOM 416 N TRP A 27 -11.979 -6.526 5.136 1.00 41.34 N ATOM 417 CA TRP A 27 -13.176 -5.823 5.550 1.00 64.14 C ATOM 418 C TRP A 27 -14.132 -5.681 4.368 1.00 75.51 C ATOM 419 O TRP A 27 -15.230 -5.163 4.508 1.00 60.04 O ATOM 420 CB TRP A 27 -12.826 -4.437 6.121 1.00 43.11 C ATOM 421 CG TRP A 27 -12.334 -3.452 5.099 1.00 60.02 C ATOM 422 CD1 TRP A 27 -11.133 -3.465 4.458 1.00 63.23 C ATOM 423 CD2 TRP A 27 -13.037 -2.298 4.613 1.00 41.41 C ATOM 424 NE1 TRP A 27 -11.051 -2.402 3.596 1.00 65.22 N ATOM 425 CE2 TRP A 27 -12.203 -1.669 3.674 1.00 55.30 C ATOM 426 CE3 TRP A 27 -14.289 -1.742 4.878 1.00 33.10 C ATOM 427 CZ2 TRP A 27 -12.579 -0.511 2.998 1.00 63.21 C ATOM 428 CZ3 TRP A 27 -14.662 -0.592 4.208 1.00 12.32 C ATOM 429 CH2 TRP A 27 -13.809 0.012 3.279 1.00 25.21 C ATOM 0 H TRP A 27 -11.182 -5.922 4.935 1.00 41.34 H new ATOM 0 HA TRP A 27 -13.663 -6.402 6.335 1.00 64.14 H new ATOM 0 HB2 TRP A 27 -13.709 -4.025 6.609 1.00 43.11 H new ATOM 0 HB3 TRP A 27 -12.063 -4.556 6.890 1.00 43.11 H new ATOM 0 HD1 TRP A 27 -10.359 -4.204 4.607 1.00 63.23 H new ATOM 0 HE1 TRP A 27 -10.257 -2.191 2.992 1.00 65.22 H new ATOM 0 HE3 TRP A 27 -14.955 -2.202 5.594 1.00 33.10 H new ATOM 0 HZ2 TRP A 27 -11.923 -0.044 2.279 1.00 63.21 H new ATOM 0 HZ3 TRP A 27 -15.629 -0.152 4.405 1.00 12.32 H new ATOM 0 HH2 TRP A 27 -14.130 0.911 2.773 1.00 25.21 H new ATOM 440 N ARG A 28 -13.698 -6.147 3.200 1.00 52.54 N ATOM 441 CA ARG A 28 -14.509 -6.064 1.992 1.00 25.43 C ATOM 442 C ARG A 28 -14.889 -7.448 1.504 1.00 63.15 C ATOM 443 O ARG A 28 -16.065 -7.758 1.318 1.00 60.24 O ATOM 444 CB ARG A 28 -13.754 -5.351 0.870 1.00 51.22 C ATOM 445 CG ARG A 28 -13.192 -3.998 1.240 1.00 65.42 C ATOM 446 CD ARG A 28 -12.585 -3.315 0.028 1.00 22.44 C ATOM 447 NE ARG A 28 -11.591 -4.160 -0.652 1.00 44.44 N ATOM 448 CZ ARG A 28 -11.395 -4.174 -1.976 1.00 52.30 C ATOM 449 NH1 ARG A 28 -12.149 -3.430 -2.772 1.00 71.00 N ATOM 450 NH2 ARG A 28 -10.447 -4.932 -2.501 1.00 53.20 N ATOM 0 H ARG A 28 -12.787 -6.587 3.066 1.00 52.54 H new ATOM 0 HA ARG A 28 -15.406 -5.499 2.247 1.00 25.43 H new ATOM 0 HB2 ARG A 28 -12.935 -5.990 0.540 1.00 51.22 H new ATOM 0 HB3 ARG A 28 -14.426 -5.229 0.020 1.00 51.22 H new ATOM 0 HG2 ARG A 28 -13.982 -3.373 1.657 1.00 65.42 H new ATOM 0 HG3 ARG A 28 -12.434 -4.114 2.015 1.00 65.42 H new ATOM 0 HD2 ARG A 28 -13.377 -3.054 -0.674 1.00 22.44 H new ATOM 0 HD3 ARG A 28 -12.114 -2.382 0.338 1.00 22.44 H new ATOM 0 HE ARG A 28 -11.014 -4.775 -0.078 1.00 44.44 H new ATOM 0 HH11 ARG A 28 -12.883 -2.843 -2.377 1.00 71.00 H new ATOM 0 HH12 ARG A 28 -11.995 -3.445 -3.780 1.00 71.00 H new ATOM 0 HH21 ARG A 28 -9.862 -5.509 -1.896 1.00 53.20 H new ATOM 0 HH22 ARG A 28 -10.301 -4.940 -3.510 1.00 53.20 H new ATOM 464 N GLN A 29 -13.886 -8.278 1.308 1.00 44.31 N ATOM 465 CA GLN A 29 -14.082 -9.599 0.748 1.00 33.10 C ATOM 466 C GLN A 29 -14.070 -10.665 1.829 1.00 60.24 C ATOM 467 O GLN A 29 -13.196 -10.672 2.699 1.00 40.44 O ATOM 468 CB GLN A 29 -12.986 -9.885 -0.273 1.00 34.30 C ATOM 469 CG GLN A 29 -12.939 -8.889 -1.423 1.00 24.14 C ATOM 470 CD GLN A 29 -11.694 -9.040 -2.271 1.00 32.35 C ATOM 471 OE1 GLN A 29 -11.668 -9.806 -3.228 1.00 54.02 O ATOM 472 NE2 GLN A 29 -10.654 -8.304 -1.928 1.00 41.41 N ATOM 0 H GLN A 29 -12.915 -8.057 1.531 1.00 44.31 H new ATOM 0 HA GLN A 29 -15.057 -9.625 0.262 1.00 33.10 H new ATOM 0 HB2 GLN A 29 -12.021 -9.885 0.234 1.00 34.30 H new ATOM 0 HB3 GLN A 29 -13.133 -10.886 -0.678 1.00 34.30 H new ATOM 0 HG2 GLN A 29 -13.820 -9.022 -2.051 1.00 24.14 H new ATOM 0 HG3 GLN A 29 -12.982 -7.876 -1.024 1.00 24.14 H new ATOM 0 HE21 GLN A 29 -10.715 -7.678 -1.125 1.00 41.41 H new ATOM 0 HE22 GLN A 29 -9.789 -8.361 -2.466 1.00 41.41 H new ATOM 481 N GLU A 30 -15.042 -11.561 1.770 1.00 41.12 N ATOM 482 CA GLU A 30 -15.119 -12.664 2.710 1.00 23.41 C ATOM 483 C GLU A 30 -14.199 -13.792 2.259 1.00 22.52 C ATOM 484 O GLU A 30 -13.687 -14.555 3.069 1.00 30.53 O ATOM 485 CB GLU A 30 -16.569 -13.161 2.861 1.00 12.14 C ATOM 486 CG GLU A 30 -17.264 -13.475 1.543 1.00 11.42 C ATOM 487 CD GLU A 30 -18.683 -13.970 1.731 1.00 33.01 C ATOM 488 OE1 GLU A 30 -19.538 -13.175 2.175 1.00 44.44 O ATOM 489 OE2 GLU A 30 -18.955 -15.149 1.423 1.00 20.11 O ATOM 0 H GLU A 30 -15.791 -11.544 1.078 1.00 41.12 H new ATOM 0 HA GLU A 30 -14.790 -12.314 3.688 1.00 23.41 H new ATOM 0 HB2 GLU A 30 -16.571 -14.057 3.482 1.00 12.14 H new ATOM 0 HB3 GLU A 30 -17.147 -12.404 3.392 1.00 12.14 H new ATOM 0 HG2 GLU A 30 -17.276 -12.580 0.921 1.00 11.42 H new ATOM 0 HG3 GLU A 30 -16.689 -14.229 1.005 1.00 11.42 H new ATOM 496 N LYS A 31 -13.985 -13.877 0.956 1.00 21.41 N ATOM 497 CA LYS A 31 -13.093 -14.868 0.391 1.00 20.24 C ATOM 498 C LYS A 31 -12.440 -14.332 -0.872 1.00 15.12 C ATOM 499 O LYS A 31 -13.074 -14.224 -1.918 1.00 73.13 O ATOM 500 CB LYS A 31 -13.825 -16.186 0.109 1.00 44.04 C ATOM 501 CG LYS A 31 -12.932 -17.262 -0.499 1.00 44.41 C ATOM 502 CD LYS A 31 -13.618 -18.623 -0.534 1.00 23.24 C ATOM 503 CE LYS A 31 -13.793 -19.201 0.866 1.00 4.44 C ATOM 504 NZ LYS A 31 -12.497 -19.379 1.566 1.00 53.51 N ATOM 0 H LYS A 31 -14.422 -13.265 0.267 1.00 21.41 H new ATOM 0 HA LYS A 31 -12.314 -15.077 1.124 1.00 20.24 H new ATOM 0 HB2 LYS A 31 -14.251 -16.562 1.039 1.00 44.04 H new ATOM 0 HB3 LYS A 31 -14.658 -15.992 -0.567 1.00 44.04 H new ATOM 0 HG2 LYS A 31 -12.652 -16.971 -1.512 1.00 44.41 H new ATOM 0 HG3 LYS A 31 -12.010 -17.336 0.078 1.00 44.41 H new ATOM 0 HD2 LYS A 31 -14.592 -18.527 -1.013 1.00 23.24 H new ATOM 0 HD3 LYS A 31 -13.030 -19.311 -1.141 1.00 23.24 H new ATOM 0 HE2 LYS A 31 -14.433 -18.541 1.452 1.00 4.44 H new ATOM 0 HE3 LYS A 31 -14.303 -20.162 0.799 1.00 4.44 H new ATOM 0 HZ1 LYS A 31 -12.620 -20.037 2.362 1.00 53.51 H new ATOM 0 HZ2 LYS A 31 -11.795 -19.765 0.903 1.00 53.51 H new ATOM 0 HZ3 LYS A 31 -12.167 -18.460 1.924 1.00 53.51 H new ATOM 518 N ILE A 32 -11.184 -13.976 -0.753 1.00 53.25 N ATOM 519 CA ILE A 32 -10.422 -13.430 -1.857 1.00 13.34 C ATOM 520 C ILE A 32 -9.913 -14.551 -2.756 1.00 1.32 C ATOM 521 O ILE A 32 -9.113 -15.384 -2.337 1.00 25.33 O ATOM 522 CB ILE A 32 -9.237 -12.585 -1.333 1.00 33.41 C ATOM 523 CG1 ILE A 32 -9.760 -11.475 -0.416 1.00 73.12 C ATOM 524 CG2 ILE A 32 -8.443 -11.997 -2.488 1.00 42.15 C ATOM 525 CD1 ILE A 32 -8.681 -10.600 0.175 1.00 62.13 C ATOM 0 H ILE A 32 -10.656 -14.056 0.116 1.00 53.25 H new ATOM 0 HA ILE A 32 -11.077 -12.784 -2.441 1.00 13.34 H new ATOM 0 HB ILE A 32 -8.569 -13.230 -0.762 1.00 33.41 H new ATOM 0 HG12 ILE A 32 -10.451 -10.849 -0.980 1.00 73.12 H new ATOM 0 HG13 ILE A 32 -10.330 -11.928 0.395 1.00 73.12 H new ATOM 0 HG21 ILE A 32 -7.615 -11.407 -2.097 1.00 42.15 H new ATOM 0 HG22 ILE A 32 -8.053 -12.803 -3.109 1.00 42.15 H new ATOM 0 HG23 ILE A 32 -9.092 -11.359 -3.088 1.00 42.15 H new ATOM 0 HD11 ILE A 32 -9.136 -9.841 0.811 1.00 62.13 H new ATOM 0 HD12 ILE A 32 -8.002 -11.211 0.769 1.00 62.13 H new ATOM 0 HD13 ILE A 32 -8.125 -10.115 -0.628 1.00 62.13 H new ATOM 537 N THR A 33 -10.389 -14.570 -3.986 1.00 23.15 N ATOM 538 CA THR A 33 -10.033 -15.614 -4.927 1.00 61.53 C ATOM 539 C THR A 33 -9.064 -15.091 -6.009 1.00 71.35 C ATOM 540 O THR A 33 -8.609 -15.845 -6.873 1.00 3.31 O ATOM 541 CB THR A 33 -11.311 -16.188 -5.586 1.00 12.42 C ATOM 542 OG1 THR A 33 -12.313 -16.382 -4.572 1.00 61.32 O ATOM 543 CG2 THR A 33 -11.030 -17.525 -6.265 1.00 64.01 C ATOM 0 H THR A 33 -11.028 -13.868 -4.359 1.00 23.15 H new ATOM 0 HA THR A 33 -9.523 -16.405 -4.378 1.00 61.53 H new ATOM 0 HB THR A 33 -11.656 -15.482 -6.341 1.00 12.42 H new ATOM 0 HG1 THR A 33 -13.127 -16.744 -4.981 1.00 61.32 H new ATOM 0 HG21 THR A 33 -11.947 -17.903 -6.718 1.00 64.01 H new ATOM 0 HG22 THR A 33 -10.273 -17.389 -7.037 1.00 64.01 H new ATOM 0 HG23 THR A 33 -10.670 -18.240 -5.525 1.00 64.01 H new ATOM 551 N ARG A 34 -8.743 -13.803 -5.952 1.00 32.01 N ATOM 552 CA ARG A 34 -7.828 -13.207 -6.927 1.00 32.04 C ATOM 553 C ARG A 34 -6.393 -13.688 -6.691 1.00 3.24 C ATOM 554 O ARG A 34 -5.959 -13.846 -5.548 1.00 52.32 O ATOM 555 CB ARG A 34 -7.875 -11.673 -6.867 1.00 51.40 C ATOM 556 CG ARG A 34 -7.301 -11.093 -5.585 1.00 52.22 C ATOM 557 CD ARG A 34 -7.218 -9.581 -5.631 1.00 3.30 C ATOM 558 NE ARG A 34 -8.529 -8.956 -5.776 1.00 73.41 N ATOM 559 CZ ARG A 34 -8.924 -7.870 -5.107 1.00 14.23 C ATOM 560 NH1 ARG A 34 -8.143 -7.339 -4.169 1.00 30.11 N ATOM 561 NH2 ARG A 34 -10.108 -7.336 -5.363 1.00 5.12 N ATOM 0 H ARG A 34 -9.097 -13.154 -5.249 1.00 32.01 H new ATOM 0 HA ARG A 34 -8.152 -13.527 -7.917 1.00 32.04 H new ATOM 0 HB2 ARG A 34 -7.325 -11.268 -7.716 1.00 51.40 H new ATOM 0 HB3 ARG A 34 -8.909 -11.346 -6.972 1.00 51.40 H new ATOM 0 HG2 ARG A 34 -7.921 -11.396 -4.741 1.00 52.22 H new ATOM 0 HG3 ARG A 34 -6.306 -11.505 -5.414 1.00 52.22 H new ATOM 0 HD2 ARG A 34 -6.744 -9.218 -4.719 1.00 3.30 H new ATOM 0 HD3 ARG A 34 -6.581 -9.280 -6.463 1.00 3.30 H new ATOM 0 HE ARG A 34 -9.187 -9.377 -6.432 1.00 73.41 H new ATOM 0 HH11 ARG A 34 -7.239 -7.762 -3.959 1.00 30.11 H new ATOM 0 HH12 ARG A 34 -8.449 -6.509 -3.660 1.00 30.11 H new ATOM 0 HH21 ARG A 34 -10.714 -7.754 -6.069 1.00 5.12 H new ATOM 0 HH22 ARG A 34 -10.414 -6.506 -4.854 1.00 5.12 H new ATOM 575 N THR A 35 -5.672 -13.927 -7.764 1.00 34.11 N ATOM 576 CA THR A 35 -4.293 -14.361 -7.666 1.00 23.40 C ATOM 577 C THR A 35 -3.346 -13.150 -7.605 1.00 30.10 C ATOM 578 O THR A 35 -3.785 -11.997 -7.708 1.00 24.13 O ATOM 579 CB THR A 35 -3.903 -15.295 -8.853 1.00 1.31 C ATOM 580 OG1 THR A 35 -2.547 -15.738 -8.728 1.00 33.01 O ATOM 581 CG2 THR A 35 -4.080 -14.591 -10.185 1.00 24.51 C ATOM 0 H THR A 35 -6.018 -13.828 -8.718 1.00 34.11 H new ATOM 0 HA THR A 35 -4.192 -14.932 -6.743 1.00 23.40 H new ATOM 0 HB THR A 35 -4.568 -16.158 -8.819 1.00 1.31 H new ATOM 0 HG1 THR A 35 -2.121 -15.740 -9.611 1.00 33.01 H new ATOM 0 HG21 THR A 35 -3.801 -15.266 -10.994 1.00 24.51 H new ATOM 0 HG22 THR A 35 -5.122 -14.294 -10.304 1.00 24.51 H new ATOM 0 HG23 THR A 35 -3.445 -13.706 -10.216 1.00 24.51 H new ATOM 589 N LYS A 36 -2.059 -13.424 -7.437 1.00 32.30 N ATOM 590 CA LYS A 36 -1.031 -12.391 -7.363 1.00 31.42 C ATOM 591 C LYS A 36 -0.994 -11.581 -8.660 1.00 73.53 C ATOM 592 O LYS A 36 -0.815 -10.364 -8.641 1.00 61.01 O ATOM 593 CB LYS A 36 0.329 -13.050 -7.103 1.00 64.34 C ATOM 594 CG LYS A 36 1.501 -12.089 -6.994 1.00 21.41 C ATOM 595 CD LYS A 36 2.796 -12.848 -6.739 1.00 42.51 C ATOM 596 CE LYS A 36 3.991 -11.915 -6.670 1.00 33.45 C ATOM 597 NZ LYS A 36 5.256 -12.654 -6.433 1.00 63.34 N ATOM 0 H LYS A 36 -1.696 -14.373 -7.348 1.00 32.30 H new ATOM 0 HA LYS A 36 -1.263 -11.709 -6.545 1.00 31.42 H new ATOM 0 HB2 LYS A 36 0.265 -13.627 -6.180 1.00 64.34 H new ATOM 0 HB3 LYS A 36 0.532 -13.757 -7.907 1.00 64.34 H new ATOM 0 HG2 LYS A 36 1.589 -11.508 -7.912 1.00 21.41 H new ATOM 0 HG3 LYS A 36 1.323 -11.381 -6.185 1.00 21.41 H new ATOM 0 HD2 LYS A 36 2.714 -13.403 -5.805 1.00 42.51 H new ATOM 0 HD3 LYS A 36 2.951 -13.579 -7.532 1.00 42.51 H new ATOM 0 HE2 LYS A 36 4.067 -11.353 -7.601 1.00 33.45 H new ATOM 0 HE3 LYS A 36 3.839 -11.189 -5.871 1.00 33.45 H new ATOM 0 HZ1 LYS A 36 6.048 -11.982 -6.392 1.00 63.34 H new ATOM 0 HZ2 LYS A 36 5.193 -13.170 -5.532 1.00 63.34 H new ATOM 0 HZ3 LYS A 36 5.414 -13.329 -7.208 1.00 63.34 H new ATOM 611 N GLU A 37 -1.182 -12.272 -9.778 1.00 12.44 N ATOM 612 CA GLU A 37 -1.198 -11.644 -11.096 1.00 33.04 C ATOM 613 C GLU A 37 -2.306 -10.598 -11.176 1.00 64.14 C ATOM 614 O GLU A 37 -2.106 -9.504 -11.703 1.00 1.04 O ATOM 615 CB GLU A 37 -1.390 -12.692 -12.208 1.00 72.21 C ATOM 616 CG GLU A 37 -0.290 -13.752 -12.291 1.00 72.40 C ATOM 617 CD GLU A 37 -0.309 -14.726 -11.129 1.00 63.24 C ATOM 618 OE1 GLU A 37 -1.129 -15.675 -11.152 1.00 71.45 O ATOM 619 OE2 GLU A 37 0.484 -14.553 -10.192 1.00 25.31 O ATOM 0 H GLU A 37 -1.327 -13.281 -9.798 1.00 12.44 H new ATOM 0 HA GLU A 37 -0.234 -11.156 -11.243 1.00 33.04 H new ATOM 0 HB2 GLU A 37 -2.346 -13.193 -12.054 1.00 72.21 H new ATOM 0 HB3 GLU A 37 -1.451 -12.176 -13.166 1.00 72.21 H new ATOM 0 HG2 GLU A 37 -0.399 -14.307 -13.223 1.00 72.40 H new ATOM 0 HG3 GLU A 37 0.681 -13.257 -12.326 1.00 72.40 H new ATOM 626 N GLU A 38 -3.471 -10.941 -10.631 1.00 53.33 N ATOM 627 CA GLU A 38 -4.609 -10.032 -10.616 1.00 70.53 C ATOM 628 C GLU A 38 -4.280 -8.805 -9.790 1.00 30.32 C ATOM 629 O GLU A 38 -4.501 -7.677 -10.220 1.00 4.41 O ATOM 630 CB GLU A 38 -5.843 -10.721 -10.036 1.00 73.33 C ATOM 631 CG GLU A 38 -6.328 -11.909 -10.842 1.00 34.10 C ATOM 632 CD GLU A 38 -6.707 -11.539 -12.254 1.00 0.52 C ATOM 633 OE1 GLU A 38 -6.053 -12.030 -13.195 1.00 60.52 O ATOM 634 OE2 GLU A 38 -7.661 -10.754 -12.431 1.00 65.25 O ATOM 0 H GLU A 38 -3.649 -11.845 -10.193 1.00 53.33 H new ATOM 0 HA GLU A 38 -4.823 -9.734 -11.642 1.00 70.53 H new ATOM 0 HB2 GLU A 38 -5.618 -11.052 -9.022 1.00 73.33 H new ATOM 0 HB3 GLU A 38 -6.651 -9.993 -9.962 1.00 73.33 H new ATOM 0 HG2 GLU A 38 -5.547 -12.669 -10.867 1.00 34.10 H new ATOM 0 HG3 GLU A 38 -7.189 -12.354 -10.344 1.00 34.10 H new ATOM 641 N ALA A 39 -3.729 -9.039 -8.606 1.00 60.03 N ATOM 642 CA ALA A 39 -3.350 -7.963 -7.709 1.00 4.40 C ATOM 643 C ALA A 39 -2.348 -7.033 -8.381 1.00 21.12 C ATOM 644 O ALA A 39 -2.428 -5.815 -8.241 1.00 23.02 O ATOM 645 CB ALA A 39 -2.772 -8.531 -6.420 1.00 44.54 C ATOM 0 H ALA A 39 -3.535 -9.973 -8.245 1.00 60.03 H new ATOM 0 HA ALA A 39 -4.241 -7.385 -7.465 1.00 4.40 H new ATOM 0 HB1 ALA A 39 -2.492 -7.714 -5.756 1.00 44.54 H new ATOM 0 HB2 ALA A 39 -3.519 -9.156 -5.931 1.00 44.54 H new ATOM 0 HB3 ALA A 39 -1.891 -9.130 -6.649 1.00 44.54 H new ATOM 651 N LEU A 40 -1.417 -7.621 -9.126 1.00 31.55 N ATOM 652 CA LEU A 40 -0.402 -6.864 -9.846 1.00 40.20 C ATOM 653 C LEU A 40 -1.063 -5.913 -10.850 1.00 32.30 C ATOM 654 O LEU A 40 -0.686 -4.737 -10.953 1.00 30.13 O ATOM 655 CB LEU A 40 0.579 -7.837 -10.547 1.00 40.45 C ATOM 656 CG LEU A 40 1.848 -7.232 -11.192 1.00 51.15 C ATOM 657 CD1 LEU A 40 1.535 -6.571 -12.526 1.00 23.01 C ATOM 658 CD2 LEU A 40 2.514 -6.240 -10.246 1.00 73.53 C ATOM 0 H LEU A 40 -1.346 -8.631 -9.247 1.00 31.55 H new ATOM 0 HA LEU A 40 0.167 -6.258 -9.141 1.00 40.20 H new ATOM 0 HB2 LEU A 40 0.896 -8.580 -9.815 1.00 40.45 H new ATOM 0 HB3 LEU A 40 0.028 -8.368 -11.323 1.00 40.45 H new ATOM 0 HG LEU A 40 2.543 -8.050 -11.382 1.00 51.15 H new ATOM 0 HD11 LEU A 40 2.450 -6.157 -12.950 1.00 23.01 H new ATOM 0 HD12 LEU A 40 1.120 -7.311 -13.210 1.00 23.01 H new ATOM 0 HD13 LEU A 40 0.811 -5.771 -12.374 1.00 23.01 H new ATOM 0 HD21 LEU A 40 3.404 -5.827 -10.720 1.00 73.53 H new ATOM 0 HD22 LEU A 40 1.818 -5.433 -10.016 1.00 73.53 H new ATOM 0 HD23 LEU A 40 2.797 -6.749 -9.325 1.00 73.53 H new ATOM 670 N GLU A 41 -2.053 -6.418 -11.576 1.00 43.50 N ATOM 671 CA GLU A 41 -2.772 -5.603 -12.543 1.00 42.53 C ATOM 672 C GLU A 41 -3.541 -4.498 -11.847 1.00 11.22 C ATOM 673 O GLU A 41 -3.580 -3.363 -12.325 1.00 4.11 O ATOM 674 CB GLU A 41 -3.718 -6.448 -13.380 1.00 35.03 C ATOM 675 CG GLU A 41 -3.023 -7.493 -14.220 1.00 0.23 C ATOM 676 CD GLU A 41 -3.947 -8.112 -15.228 1.00 41.34 C ATOM 677 OE1 GLU A 41 -4.708 -9.025 -14.863 1.00 1.52 O ATOM 678 OE2 GLU A 41 -3.916 -7.690 -16.399 1.00 64.43 O ATOM 0 H GLU A 41 -2.374 -7.384 -11.513 1.00 43.50 H new ATOM 0 HA GLU A 41 -2.034 -5.154 -13.208 1.00 42.53 H new ATOM 0 HB2 GLU A 41 -4.430 -6.942 -12.719 1.00 35.03 H new ATOM 0 HB3 GLU A 41 -4.292 -5.793 -14.035 1.00 35.03 H new ATOM 0 HG2 GLU A 41 -2.176 -7.039 -14.735 1.00 0.23 H new ATOM 0 HG3 GLU A 41 -2.621 -8.271 -13.571 1.00 0.23 H new ATOM 685 N LEU A 42 -4.145 -4.830 -10.712 1.00 43.33 N ATOM 686 CA LEU A 42 -4.880 -3.851 -9.923 1.00 32.40 C ATOM 687 C LEU A 42 -3.961 -2.724 -9.473 1.00 10.44 C ATOM 688 O LEU A 42 -4.340 -1.559 -9.517 1.00 0.22 O ATOM 689 CB LEU A 42 -5.560 -4.513 -8.716 1.00 31.24 C ATOM 690 CG LEU A 42 -7.009 -4.993 -8.933 1.00 31.40 C ATOM 691 CD1 LEU A 42 -7.103 -5.976 -10.089 1.00 3.24 C ATOM 692 CD2 LEU A 42 -7.553 -5.620 -7.660 1.00 24.44 C ATOM 0 H LEU A 42 -4.140 -5.771 -10.318 1.00 43.33 H new ATOM 0 HA LEU A 42 -5.659 -3.426 -10.555 1.00 32.40 H new ATOM 0 HB2 LEU A 42 -4.958 -5.368 -8.409 1.00 31.24 H new ATOM 0 HB3 LEU A 42 -5.554 -3.805 -7.887 1.00 31.24 H new ATOM 0 HG LEU A 42 -7.614 -4.123 -9.187 1.00 31.40 H new ATOM 0 HD11 LEU A 42 -8.138 -6.293 -10.213 1.00 3.24 H new ATOM 0 HD12 LEU A 42 -6.758 -5.495 -11.004 1.00 3.24 H new ATOM 0 HD13 LEU A 42 -6.480 -6.845 -9.879 1.00 3.24 H new ATOM 0 HD21 LEU A 42 -8.577 -5.954 -7.828 1.00 24.44 H new ATOM 0 HD22 LEU A 42 -6.934 -6.473 -7.381 1.00 24.44 H new ATOM 0 HD23 LEU A 42 -7.539 -4.883 -6.857 1.00 24.44 H new ATOM 704 N ILE A 43 -2.743 -3.081 -9.060 1.00 3.25 N ATOM 705 CA ILE A 43 -1.740 -2.093 -8.652 1.00 63.44 C ATOM 706 C ILE A 43 -1.524 -1.077 -9.762 1.00 35.34 C ATOM 707 O ILE A 43 -1.592 0.133 -9.540 1.00 42.44 O ATOM 708 CB ILE A 43 -0.381 -2.767 -8.319 1.00 61.21 C ATOM 709 CG1 ILE A 43 -0.518 -3.691 -7.109 1.00 61.34 C ATOM 710 CG2 ILE A 43 0.708 -1.722 -8.078 1.00 31.13 C ATOM 711 CD1 ILE A 43 -0.950 -2.985 -5.844 1.00 63.51 C ATOM 0 H ILE A 43 -2.426 -4.049 -8.999 1.00 3.25 H new ATOM 0 HA ILE A 43 -2.115 -1.597 -7.757 1.00 63.44 H new ATOM 0 HB ILE A 43 -0.086 -3.368 -9.179 1.00 61.21 H new ATOM 0 HG12 ILE A 43 -1.241 -4.473 -7.342 1.00 61.34 H new ATOM 0 HG13 ILE A 43 0.438 -4.183 -6.930 1.00 61.34 H new ATOM 0 HG21 ILE A 43 1.648 -2.223 -7.847 1.00 31.13 H new ATOM 0 HG22 ILE A 43 0.832 -1.113 -8.973 1.00 31.13 H new ATOM 0 HG23 ILE A 43 0.422 -1.084 -7.242 1.00 31.13 H new ATOM 0 HD11 ILE A 43 -1.024 -3.708 -5.031 1.00 63.51 H new ATOM 0 HD12 ILE A 43 -0.216 -2.222 -5.585 1.00 63.51 H new ATOM 0 HD13 ILE A 43 -1.921 -2.516 -6.003 1.00 63.51 H new ATOM 723 N ASN A 44 -1.284 -1.583 -10.961 1.00 61.21 N ATOM 724 CA ASN A 44 -1.067 -0.739 -12.125 1.00 62.13 C ATOM 725 C ASN A 44 -2.313 0.080 -12.434 1.00 63.42 C ATOM 726 O ASN A 44 -2.221 1.232 -12.867 1.00 13.50 O ATOM 727 CB ASN A 44 -0.666 -1.583 -13.336 1.00 34.13 C ATOM 728 CG ASN A 44 0.769 -2.072 -13.264 1.00 22.21 C ATOM 729 OD1 ASN A 44 1.693 -1.390 -13.714 1.00 41.13 O ATOM 730 ND2 ASN A 44 0.972 -3.252 -12.706 1.00 23.35 N ATOM 0 H ASN A 44 -1.234 -2.583 -11.154 1.00 61.21 H new ATOM 0 HA ASN A 44 -0.251 -0.052 -11.901 1.00 62.13 H new ATOM 0 HB2 ASN A 44 -1.334 -2.441 -13.412 1.00 34.13 H new ATOM 0 HB3 ASN A 44 -0.799 -0.994 -14.243 1.00 34.13 H new ATOM 0 HD21 ASN A 44 1.918 -3.627 -12.636 1.00 23.35 H new ATOM 0 HD22 ASN A 44 0.183 -3.788 -12.345 1.00 23.35 H new ATOM 737 N GLY A 45 -3.472 -0.516 -12.193 1.00 24.55 N ATOM 738 CA GLY A 45 -4.723 0.170 -12.414 1.00 72.42 C ATOM 739 C GLY A 45 -4.887 1.355 -11.485 1.00 2.34 C ATOM 740 O GLY A 45 -5.328 2.425 -11.910 1.00 42.13 O ATOM 0 H GLY A 45 -3.565 -1.470 -11.846 1.00 24.55 H new ATOM 0 HA2 GLY A 45 -4.773 0.510 -13.449 1.00 72.42 H new ATOM 0 HA3 GLY A 45 -5.550 -0.525 -12.266 1.00 72.42 H new ATOM 744 N TYR A 46 -4.521 1.170 -10.217 1.00 61.32 N ATOM 745 CA TYR A 46 -4.616 2.239 -9.228 1.00 23.22 C ATOM 746 C TYR A 46 -3.667 3.374 -9.581 1.00 74.14 C ATOM 747 O TYR A 46 -4.020 4.545 -9.460 1.00 24.22 O ATOM 748 CB TYR A 46 -4.316 1.719 -7.815 1.00 65.21 C ATOM 749 CG TYR A 46 -5.206 0.575 -7.378 1.00 23.11 C ATOM 750 CD1 TYR A 46 -6.563 0.568 -7.677 1.00 40.51 C ATOM 751 CD2 TYR A 46 -4.687 -0.502 -6.669 1.00 41.30 C ATOM 752 CE1 TYR A 46 -7.374 -0.476 -7.287 1.00 63.41 C ATOM 753 CE2 TYR A 46 -5.493 -1.551 -6.273 1.00 24.03 C ATOM 754 CZ TYR A 46 -6.835 -1.532 -6.585 1.00 1.34 C ATOM 755 OH TYR A 46 -7.644 -2.577 -6.196 1.00 42.43 O ATOM 0 H TYR A 46 -4.156 0.290 -9.852 1.00 61.32 H new ATOM 0 HA TYR A 46 -5.639 2.615 -9.240 1.00 23.22 H new ATOM 0 HB2 TYR A 46 -3.276 1.394 -7.772 1.00 65.21 H new ATOM 0 HB3 TYR A 46 -4.423 2.540 -7.106 1.00 65.21 H new ATOM 0 HD1 TYR A 46 -6.990 1.395 -8.225 1.00 40.51 H new ATOM 0 HD2 TYR A 46 -3.635 -0.519 -6.424 1.00 41.30 H new ATOM 0 HE1 TYR A 46 -8.426 -0.466 -7.530 1.00 63.41 H new ATOM 0 HE2 TYR A 46 -5.074 -2.381 -5.723 1.00 24.03 H new ATOM 0 HH TYR A 46 -8.374 -2.683 -6.841 1.00 42.43 H new ATOM 765 N ILE A 47 -2.464 3.012 -10.030 1.00 42.13 N ATOM 766 CA ILE A 47 -1.461 3.991 -10.446 1.00 34.41 C ATOM 767 C ILE A 47 -2.034 4.914 -11.524 1.00 14.23 C ATOM 768 O ILE A 47 -1.879 6.141 -11.464 1.00 50.31 O ATOM 769 CB ILE A 47 -0.182 3.292 -10.987 1.00 73.12 C ATOM 770 CG1 ILE A 47 0.508 2.500 -9.865 1.00 71.24 C ATOM 771 CG2 ILE A 47 0.777 4.305 -11.604 1.00 12.34 C ATOM 772 CD1 ILE A 47 1.731 1.728 -10.318 1.00 71.23 C ATOM 0 H ILE A 47 -2.160 2.042 -10.115 1.00 42.13 H new ATOM 0 HA ILE A 47 -1.190 4.580 -9.570 1.00 34.41 H new ATOM 0 HB ILE A 47 -0.479 2.595 -11.771 1.00 73.12 H new ATOM 0 HG12 ILE A 47 0.799 3.190 -9.073 1.00 71.24 H new ATOM 0 HG13 ILE A 47 -0.209 1.803 -9.432 1.00 71.24 H new ATOM 0 HG21 ILE A 47 1.663 3.789 -11.974 1.00 12.34 H new ATOM 0 HG22 ILE A 47 0.283 4.817 -12.430 1.00 12.34 H new ATOM 0 HG23 ILE A 47 1.071 5.034 -10.849 1.00 12.34 H new ATOM 0 HD11 ILE A 47 2.161 1.196 -9.469 1.00 71.23 H new ATOM 0 HD12 ILE A 47 1.444 1.012 -11.088 1.00 71.23 H new ATOM 0 HD13 ILE A 47 2.469 2.420 -10.723 1.00 71.23 H new ATOM 784 N GLN A 48 -2.713 4.314 -12.494 1.00 4.42 N ATOM 785 CA GLN A 48 -3.336 5.063 -13.571 1.00 33.53 C ATOM 786 C GLN A 48 -4.415 5.999 -13.035 1.00 32.32 C ATOM 787 O GLN A 48 -4.537 7.129 -13.487 1.00 33.11 O ATOM 788 CB GLN A 48 -3.937 4.114 -14.611 1.00 23.24 C ATOM 789 CG GLN A 48 -2.908 3.313 -15.394 1.00 65.45 C ATOM 790 CD GLN A 48 -2.005 4.189 -16.242 1.00 23.24 C ATOM 791 OE1 GLN A 48 -2.401 5.265 -16.691 1.00 63.22 O ATOM 792 NE2 GLN A 48 -0.796 3.732 -16.481 1.00 72.22 N ATOM 0 H GLN A 48 -2.845 3.304 -12.554 1.00 4.42 H new ATOM 0 HA GLN A 48 -2.563 5.665 -14.048 1.00 33.53 H new ATOM 0 HB2 GLN A 48 -4.613 3.422 -14.108 1.00 23.24 H new ATOM 0 HB3 GLN A 48 -4.538 4.694 -15.311 1.00 23.24 H new ATOM 0 HG2 GLN A 48 -2.298 2.735 -14.699 1.00 65.45 H new ATOM 0 HG3 GLN A 48 -3.422 2.599 -16.037 1.00 65.45 H new ATOM 0 HE21 GLN A 48 -0.503 2.836 -16.092 1.00 72.22 H new ATOM 0 HE22 GLN A 48 -0.150 4.274 -17.056 1.00 72.22 H new ATOM 801 N LYS A 49 -5.180 5.525 -12.055 1.00 73.23 N ATOM 802 CA LYS A 49 -6.262 6.321 -11.468 1.00 72.45 C ATOM 803 C LYS A 49 -5.726 7.581 -10.803 1.00 22.55 C ATOM 804 O LYS A 49 -6.332 8.656 -10.900 1.00 12.32 O ATOM 805 CB LYS A 49 -7.051 5.505 -10.442 1.00 4.33 C ATOM 806 CG LYS A 49 -7.678 4.238 -10.997 1.00 12.55 C ATOM 807 CD LYS A 49 -8.643 3.614 -10.002 1.00 53.05 C ATOM 808 CE LYS A 49 -9.876 4.489 -9.795 1.00 42.54 C ATOM 809 NZ LYS A 49 -10.634 4.692 -11.056 1.00 32.02 N ATOM 0 H LYS A 49 -5.073 4.595 -11.649 1.00 73.23 H new ATOM 0 HA LYS A 49 -6.925 6.608 -12.284 1.00 72.45 H new ATOM 0 HB2 LYS A 49 -6.387 5.237 -9.620 1.00 4.33 H new ATOM 0 HB3 LYS A 49 -7.838 6.133 -10.024 1.00 4.33 H new ATOM 0 HG2 LYS A 49 -8.206 4.467 -11.923 1.00 12.55 H new ATOM 0 HG3 LYS A 49 -6.895 3.521 -11.245 1.00 12.55 H new ATOM 0 HD2 LYS A 49 -8.949 2.630 -10.358 1.00 53.05 H new ATOM 0 HD3 LYS A 49 -8.137 3.464 -9.048 1.00 53.05 H new ATOM 0 HE2 LYS A 49 -10.526 4.028 -9.052 1.00 42.54 H new ATOM 0 HE3 LYS A 49 -9.571 5.456 -9.396 1.00 42.54 H new ATOM 0 HZ1 LYS A 49 -11.560 5.114 -10.840 1.00 32.02 H new ATOM 0 HZ2 LYS A 49 -10.101 5.329 -11.683 1.00 32.02 H new ATOM 0 HZ3 LYS A 49 -10.772 3.776 -11.529 1.00 32.02 H new ATOM 823 N ILE A 50 -4.596 7.444 -10.125 1.00 41.34 N ATOM 824 CA ILE A 50 -3.979 8.564 -9.431 1.00 65.33 C ATOM 825 C ILE A 50 -3.461 9.594 -10.429 1.00 14.31 C ATOM 826 O ILE A 50 -3.788 10.780 -10.341 1.00 71.12 O ATOM 827 CB ILE A 50 -2.811 8.097 -8.531 1.00 54.00 C ATOM 828 CG1 ILE A 50 -3.274 6.980 -7.593 1.00 24.40 C ATOM 829 CG2 ILE A 50 -2.259 9.271 -7.727 1.00 31.34 C ATOM 830 CD1 ILE A 50 -2.148 6.327 -6.820 1.00 20.32 C ATOM 0 H ILE A 50 -4.086 6.565 -10.041 1.00 41.34 H new ATOM 0 HA ILE A 50 -4.746 9.017 -8.803 1.00 65.33 H new ATOM 0 HB ILE A 50 -2.017 7.708 -9.168 1.00 54.00 H new ATOM 0 HG12 ILE A 50 -3.998 7.387 -6.888 1.00 24.40 H new ATOM 0 HG13 ILE A 50 -3.791 6.219 -8.177 1.00 24.40 H new ATOM 0 HG21 ILE A 50 -1.438 8.927 -7.098 1.00 31.34 H new ATOM 0 HG22 ILE A 50 -1.897 10.040 -8.409 1.00 31.34 H new ATOM 0 HG23 ILE A 50 -3.048 9.685 -7.099 1.00 31.34 H new ATOM 0 HD11 ILE A 50 -2.553 5.546 -6.177 1.00 20.32 H new ATOM 0 HD12 ILE A 50 -1.434 5.889 -7.517 1.00 20.32 H new ATOM 0 HD13 ILE A 50 -1.645 7.076 -6.208 1.00 20.32 H new ATOM 842 N LYS A 51 -2.670 9.128 -11.390 1.00 33.34 N ATOM 843 CA LYS A 51 -2.085 10.003 -12.402 1.00 71.55 C ATOM 844 C LYS A 51 -3.149 10.631 -13.300 1.00 14.34 C ATOM 845 O LYS A 51 -3.025 11.787 -13.703 1.00 61.25 O ATOM 846 CB LYS A 51 -1.059 9.246 -13.249 1.00 64.44 C ATOM 847 CG LYS A 51 0.274 8.992 -12.550 1.00 0.01 C ATOM 848 CD LYS A 51 0.958 10.301 -12.170 1.00 45.11 C ATOM 849 CE LYS A 51 2.411 10.088 -11.763 1.00 65.24 C ATOM 850 NZ LYS A 51 2.547 9.188 -10.593 1.00 50.44 N ATOM 0 H LYS A 51 -2.418 8.145 -11.490 1.00 33.34 H new ATOM 0 HA LYS A 51 -1.580 10.810 -11.872 1.00 71.55 H new ATOM 0 HB2 LYS A 51 -1.487 8.289 -13.546 1.00 64.44 H new ATOM 0 HB3 LYS A 51 -0.874 9.810 -14.163 1.00 64.44 H new ATOM 0 HG2 LYS A 51 0.109 8.392 -11.655 1.00 0.01 H new ATOM 0 HG3 LYS A 51 0.927 8.415 -13.205 1.00 0.01 H new ATOM 0 HD2 LYS A 51 0.915 10.991 -13.013 1.00 45.11 H new ATOM 0 HD3 LYS A 51 0.416 10.768 -11.348 1.00 45.11 H new ATOM 0 HE2 LYS A 51 2.963 9.670 -12.605 1.00 65.24 H new ATOM 0 HE3 LYS A 51 2.865 11.051 -11.531 1.00 65.24 H new ATOM 0 HZ1 LYS A 51 3.545 9.143 -10.304 1.00 50.44 H new ATOM 0 HZ2 LYS A 51 1.975 9.554 -9.805 1.00 50.44 H new ATOM 0 HZ3 LYS A 51 2.217 8.235 -10.848 1.00 50.44 H new ATOM 864 N SER A 52 -4.194 9.877 -13.602 1.00 11.51 N ATOM 865 CA SER A 52 -5.271 10.370 -14.452 1.00 25.30 C ATOM 866 C SER A 52 -6.162 11.349 -13.681 1.00 4.33 C ATOM 867 O SER A 52 -6.994 12.043 -14.267 1.00 23.24 O ATOM 868 CB SER A 52 -6.099 9.194 -14.992 1.00 53.20 C ATOM 869 OG SER A 52 -7.007 9.606 -16.002 1.00 70.41 O ATOM 0 H SER A 52 -4.321 8.920 -13.272 1.00 11.51 H new ATOM 0 HA SER A 52 -4.833 10.903 -15.296 1.00 25.30 H new ATOM 0 HB2 SER A 52 -5.430 8.433 -15.394 1.00 53.20 H new ATOM 0 HB3 SER A 52 -6.651 8.733 -14.173 1.00 53.20 H new ATOM 0 HG SER A 52 -7.272 10.536 -15.844 1.00 70.41 H new ATOM 875 N GLY A 53 -5.978 11.398 -12.368 1.00 43.11 N ATOM 876 CA GLY A 53 -6.746 12.299 -11.543 1.00 54.13 C ATOM 877 C GLY A 53 -8.198 11.902 -11.445 1.00 72.41 C ATOM 878 O GLY A 53 -9.092 12.745 -11.574 1.00 75.12 O ATOM 0 H GLY A 53 -5.305 10.824 -11.860 1.00 43.11 H new ATOM 0 HA2 GLY A 53 -6.313 12.328 -10.543 1.00 54.13 H new ATOM 0 HA3 GLY A 53 -6.676 13.308 -11.950 1.00 54.13 H new ATOM 882 N GLU A 54 -8.445 10.623 -11.232 1.00 41.24 N ATOM 883 CA GLU A 54 -9.804 10.132 -11.101 1.00 64.24 C ATOM 884 C GLU A 54 -10.293 10.299 -9.677 1.00 5.24 C ATOM 885 O GLU A 54 -11.323 10.927 -9.432 1.00 72.32 O ATOM 886 CB GLU A 54 -9.903 8.663 -11.505 1.00 75.42 C ATOM 887 CG GLU A 54 -9.541 8.385 -12.948 1.00 32.25 C ATOM 888 CD GLU A 54 -9.919 6.986 -13.364 1.00 5.21 C ATOM 889 OE1 GLU A 54 -10.915 6.827 -14.094 1.00 22.21 O ATOM 890 OE2 GLU A 54 -9.241 6.035 -12.942 1.00 44.11 O ATOM 0 H GLU A 54 -7.724 9.907 -11.146 1.00 41.24 H new ATOM 0 HA GLU A 54 -10.432 10.720 -11.771 1.00 64.24 H new ATOM 0 HB2 GLU A 54 -9.249 8.077 -10.860 1.00 75.42 H new ATOM 0 HB3 GLU A 54 -10.921 8.317 -11.326 1.00 75.42 H new ATOM 0 HG2 GLU A 54 -10.045 9.104 -13.594 1.00 32.25 H new ATOM 0 HG3 GLU A 54 -8.469 8.528 -13.087 1.00 32.25 H new ATOM 897 N GLU A 55 -9.546 9.740 -8.742 1.00 10.42 N ATOM 898 CA GLU A 55 -9.906 9.783 -7.338 1.00 73.42 C ATOM 899 C GLU A 55 -8.673 10.026 -6.490 1.00 5.31 C ATOM 900 O GLU A 55 -7.546 9.859 -6.962 1.00 54.52 O ATOM 901 CB GLU A 55 -10.566 8.465 -6.917 1.00 45.55 C ATOM 902 CG GLU A 55 -11.862 8.159 -7.646 1.00 62.44 C ATOM 903 CD GLU A 55 -12.428 6.811 -7.281 1.00 72.12 C ATOM 904 OE1 GLU A 55 -13.118 6.710 -6.245 1.00 45.33 O ATOM 905 OE2 GLU A 55 -12.199 5.846 -8.032 1.00 72.02 O ATOM 0 H GLU A 55 -8.675 9.245 -8.935 1.00 10.42 H new ATOM 0 HA GLU A 55 -10.612 10.599 -7.188 1.00 73.42 H new ATOM 0 HB2 GLU A 55 -9.864 7.649 -7.088 1.00 45.55 H new ATOM 0 HB3 GLU A 55 -10.763 8.496 -5.845 1.00 45.55 H new ATOM 0 HG2 GLU A 55 -12.596 8.931 -7.415 1.00 62.44 H new ATOM 0 HG3 GLU A 55 -11.687 8.197 -8.721 1.00 62.44 H new ATOM 912 N ASP A 56 -8.887 10.418 -5.246 1.00 52.21 N ATOM 913 CA ASP A 56 -7.788 10.646 -4.316 1.00 73.02 C ATOM 914 C ASP A 56 -7.203 9.322 -3.868 1.00 20.04 C ATOM 915 O ASP A 56 -7.884 8.293 -3.908 1.00 52.31 O ATOM 916 CB ASP A 56 -8.262 11.436 -3.089 1.00 42.10 C ATOM 917 CG ASP A 56 -8.472 12.908 -3.367 1.00 44.30 C ATOM 918 OD1 ASP A 56 -7.530 13.697 -3.149 1.00 4.33 O ATOM 919 OD2 ASP A 56 -9.585 13.291 -3.793 1.00 35.53 O ATOM 0 H ASP A 56 -9.813 10.586 -4.853 1.00 52.21 H new ATOM 0 HA ASP A 56 -7.024 11.228 -4.832 1.00 73.02 H new ATOM 0 HB2 ASP A 56 -9.196 11.005 -2.727 1.00 42.10 H new ATOM 0 HB3 ASP A 56 -7.529 11.326 -2.290 1.00 42.10 H new ATOM 924 N PHE A 57 -5.952 9.344 -3.431 1.00 2.23 N ATOM 925 CA PHE A 57 -5.291 8.131 -2.967 1.00 21.41 C ATOM 926 C PHE A 57 -6.010 7.584 -1.743 1.00 15.24 C ATOM 927 O PHE A 57 -6.216 6.376 -1.617 1.00 0.13 O ATOM 928 CB PHE A 57 -3.818 8.408 -2.640 1.00 52.21 C ATOM 929 CG PHE A 57 -3.031 7.170 -2.290 1.00 71.31 C ATOM 930 CD1 PHE A 57 -2.860 6.785 -0.969 1.00 53.45 C ATOM 931 CD2 PHE A 57 -2.465 6.392 -3.284 1.00 12.20 C ATOM 932 CE1 PHE A 57 -2.142 5.648 -0.651 1.00 63.12 C ATOM 933 CE2 PHE A 57 -1.744 5.255 -2.972 1.00 55.51 C ATOM 934 CZ PHE A 57 -1.583 4.883 -1.654 1.00 52.13 C ATOM 0 H PHE A 57 -5.376 10.184 -3.388 1.00 2.23 H new ATOM 0 HA PHE A 57 -5.330 7.387 -3.763 1.00 21.41 H new ATOM 0 HB2 PHE A 57 -3.350 8.895 -3.496 1.00 52.21 H new ATOM 0 HB3 PHE A 57 -3.766 9.109 -1.807 1.00 52.21 H new ATOM 0 HD1 PHE A 57 -3.293 7.381 -0.179 1.00 53.45 H new ATOM 0 HD2 PHE A 57 -2.588 6.677 -4.318 1.00 12.20 H new ATOM 0 HE1 PHE A 57 -2.018 5.358 0.382 1.00 63.12 H new ATOM 0 HE2 PHE A 57 -1.307 4.659 -3.759 1.00 55.51 H new ATOM 0 HZ PHE A 57 -1.020 3.995 -1.407 1.00 52.13 H new ATOM 944 N GLU A 58 -6.408 8.485 -0.856 1.00 43.23 N ATOM 945 CA GLU A 58 -7.129 8.114 0.350 1.00 33.15 C ATOM 946 C GLU A 58 -8.483 7.525 -0.022 1.00 64.10 C ATOM 947 O GLU A 58 -8.967 6.593 0.620 1.00 23.14 O ATOM 948 CB GLU A 58 -7.330 9.330 1.269 1.00 43.24 C ATOM 949 CG GLU A 58 -6.041 10.016 1.729 1.00 43.52 C ATOM 950 CD GLU A 58 -5.311 10.721 0.604 1.00 3.41 C ATOM 951 OE1 GLU A 58 -5.986 11.278 -0.292 1.00 75.44 O ATOM 952 OE2 GLU A 58 -4.069 10.722 0.611 1.00 51.13 O ATOM 0 H GLU A 58 -6.241 9.487 -0.952 1.00 43.23 H new ATOM 0 HA GLU A 58 -6.539 7.371 0.887 1.00 33.15 H new ATOM 0 HB2 GLU A 58 -7.947 10.062 0.748 1.00 43.24 H new ATOM 0 HB3 GLU A 58 -7.888 9.012 2.150 1.00 43.24 H new ATOM 0 HG2 GLU A 58 -6.279 10.739 2.509 1.00 43.52 H new ATOM 0 HG3 GLU A 58 -5.380 9.273 2.174 1.00 43.52 H new ATOM 959 N SER A 59 -9.083 8.070 -1.074 1.00 21.20 N ATOM 960 CA SER A 59 -10.360 7.590 -1.560 1.00 64.53 C ATOM 961 C SER A 59 -10.216 6.167 -2.083 1.00 52.32 C ATOM 962 O SER A 59 -11.075 5.321 -1.853 1.00 51.35 O ATOM 963 CB SER A 59 -10.877 8.504 -2.669 1.00 23.42 C ATOM 964 OG SER A 59 -10.872 9.859 -2.254 1.00 31.32 O ATOM 0 H SER A 59 -8.698 8.850 -1.606 1.00 21.20 H new ATOM 0 HA SER A 59 -11.075 7.595 -0.737 1.00 64.53 H new ATOM 0 HB2 SER A 59 -10.257 8.390 -3.558 1.00 23.42 H new ATOM 0 HB3 SER A 59 -11.889 8.209 -2.946 1.00 23.42 H new ATOM 0 HG SER A 59 -11.129 10.432 -3.006 1.00 31.32 H new ATOM 970 N LEU A 60 -9.117 5.914 -2.785 1.00 61.10 N ATOM 971 CA LEU A 60 -8.835 4.591 -3.313 1.00 51.14 C ATOM 972 C LEU A 60 -8.548 3.624 -2.178 1.00 62.32 C ATOM 973 O LEU A 60 -8.933 2.457 -2.230 1.00 35.32 O ATOM 974 CB LEU A 60 -7.648 4.634 -4.280 1.00 43.23 C ATOM 975 CG LEU A 60 -7.842 5.491 -5.533 1.00 3.51 C ATOM 976 CD1 LEU A 60 -6.590 5.469 -6.394 1.00 63.15 C ATOM 977 CD2 LEU A 60 -9.045 5.009 -6.328 1.00 23.23 C ATOM 0 H LEU A 60 -8.406 6.613 -3.000 1.00 61.10 H new ATOM 0 HA LEU A 60 -9.713 4.246 -3.860 1.00 51.14 H new ATOM 0 HB2 LEU A 60 -6.777 5.005 -3.740 1.00 43.23 H new ATOM 0 HB3 LEU A 60 -7.420 3.615 -4.591 1.00 43.23 H new ATOM 0 HG LEU A 60 -8.026 6.519 -5.221 1.00 3.51 H new ATOM 0 HD11 LEU A 60 -6.747 6.084 -7.280 1.00 63.15 H new ATOM 0 HD12 LEU A 60 -5.749 5.863 -5.823 1.00 63.15 H new ATOM 0 HD13 LEU A 60 -6.375 4.444 -6.697 1.00 63.15 H new ATOM 0 HD21 LEU A 60 -9.167 5.630 -7.215 1.00 23.23 H new ATOM 0 HD22 LEU A 60 -8.891 3.973 -6.629 1.00 23.23 H new ATOM 0 HD23 LEU A 60 -9.941 5.078 -5.711 1.00 23.23 H new ATOM 989 N ALA A 61 -7.875 4.117 -1.151 1.00 22.42 N ATOM 990 CA ALA A 61 -7.558 3.311 0.013 1.00 61.13 C ATOM 991 C ALA A 61 -8.831 2.853 0.705 1.00 3.14 C ATOM 992 O ALA A 61 -9.007 1.671 0.978 1.00 52.13 O ATOM 993 CB ALA A 61 -6.675 4.089 0.976 1.00 61.03 C ATOM 0 H ALA A 61 -7.537 5.078 -1.102 1.00 22.42 H new ATOM 0 HA ALA A 61 -7.010 2.428 -0.317 1.00 61.13 H new ATOM 0 HB1 ALA A 61 -6.447 3.469 1.843 1.00 61.03 H new ATOM 0 HB2 ALA A 61 -5.748 4.367 0.475 1.00 61.03 H new ATOM 0 HB3 ALA A 61 -7.196 4.990 1.301 1.00 61.03 H new ATOM 999 N SER A 62 -9.736 3.788 0.938 1.00 33.14 N ATOM 1000 CA SER A 62 -10.998 3.497 1.608 1.00 63.35 C ATOM 1001 C SER A 62 -11.967 2.710 0.706 1.00 43.12 C ATOM 1002 O SER A 62 -13.105 2.450 1.089 1.00 64.43 O ATOM 1003 CB SER A 62 -11.648 4.803 2.069 1.00 14.02 C ATOM 1004 OG SER A 62 -10.764 5.539 2.906 1.00 53.34 O ATOM 0 H SER A 62 -9.621 4.766 0.671 1.00 33.14 H new ATOM 0 HA SER A 62 -10.779 2.868 2.471 1.00 63.35 H new ATOM 0 HB2 SER A 62 -11.921 5.405 1.202 1.00 14.02 H new ATOM 0 HB3 SER A 62 -12.570 4.585 2.608 1.00 14.02 H new ATOM 0 HG SER A 62 -10.365 4.938 3.569 1.00 53.34 H new ATOM 1010 N GLN A 63 -11.513 2.329 -0.481 1.00 2.35 N ATOM 1011 CA GLN A 63 -12.359 1.591 -1.407 1.00 41.50 C ATOM 1012 C GLN A 63 -11.749 0.260 -1.823 1.00 41.03 C ATOM 1013 O GLN A 63 -12.440 -0.754 -1.861 1.00 61.45 O ATOM 1014 CB GLN A 63 -12.645 2.415 -2.657 1.00 72.21 C ATOM 1015 CG GLN A 63 -13.624 3.554 -2.455 1.00 64.35 C ATOM 1016 CD GLN A 63 -13.843 4.337 -3.730 1.00 30.24 C ATOM 1017 OE1 GLN A 63 -14.732 4.024 -4.524 1.00 44.22 O ATOM 1018 NE2 GLN A 63 -13.031 5.344 -3.940 1.00 22.12 N ATOM 0 H GLN A 63 -10.571 2.517 -0.823 1.00 2.35 H new ATOM 0 HA GLN A 63 -13.287 1.389 -0.873 1.00 41.50 H new ATOM 0 HB2 GLN A 63 -11.705 2.823 -3.029 1.00 72.21 H new ATOM 0 HB3 GLN A 63 -13.034 1.753 -3.431 1.00 72.21 H new ATOM 0 HG2 GLN A 63 -14.576 3.157 -2.104 1.00 64.35 H new ATOM 0 HG3 GLN A 63 -13.251 4.221 -1.678 1.00 64.35 H new ATOM 0 HE21 GLN A 63 -12.309 5.568 -3.256 1.00 22.12 H new ATOM 0 HE22 GLN A 63 -13.121 5.904 -4.788 1.00 22.12 H new ATOM 1027 N PHE A 64 -10.462 0.262 -2.141 1.00 34.02 N ATOM 1028 CA PHE A 64 -9.818 -0.932 -2.682 1.00 4.21 C ATOM 1029 C PHE A 64 -8.785 -1.556 -1.743 1.00 42.21 C ATOM 1030 O PHE A 64 -8.307 -2.656 -2.005 1.00 1.40 O ATOM 1031 CB PHE A 64 -9.169 -0.615 -4.026 1.00 32.24 C ATOM 1032 CG PHE A 64 -10.141 -0.155 -5.076 1.00 20.42 C ATOM 1033 CD1 PHE A 64 -10.953 -1.065 -5.734 1.00 53.31 C ATOM 1034 CD2 PHE A 64 -10.238 1.187 -5.410 1.00 15.14 C ATOM 1035 CE1 PHE A 64 -11.843 -0.647 -6.702 1.00 13.30 C ATOM 1036 CE2 PHE A 64 -11.127 1.611 -6.377 1.00 3.30 C ATOM 1037 CZ PHE A 64 -11.931 0.693 -7.025 1.00 32.33 C ATOM 0 H PHE A 64 -9.846 1.068 -2.036 1.00 34.02 H new ATOM 0 HA PHE A 64 -10.609 -1.672 -2.806 1.00 4.21 H new ATOM 0 HB2 PHE A 64 -8.413 0.157 -3.881 1.00 32.24 H new ATOM 0 HB3 PHE A 64 -8.652 -1.504 -4.388 1.00 32.24 H new ATOM 0 HD1 PHE A 64 -10.888 -2.114 -5.486 1.00 53.31 H new ATOM 0 HD2 PHE A 64 -9.611 1.909 -4.908 1.00 15.14 H new ATOM 0 HE1 PHE A 64 -12.470 -1.367 -7.207 1.00 13.30 H new ATOM 0 HE2 PHE A 64 -11.194 2.660 -6.627 1.00 3.30 H new ATOM 0 HZ PHE A 64 -12.627 1.023 -7.782 1.00 32.33 H new ATOM 1047 N SER A 65 -8.427 -0.875 -0.672 1.00 1.31 N ATOM 1048 CA SER A 65 -7.443 -1.432 0.245 1.00 42.20 C ATOM 1049 C SER A 65 -8.069 -2.461 1.174 1.00 41.15 C ATOM 1050 O SER A 65 -8.917 -2.133 2.000 1.00 11.45 O ATOM 1051 CB SER A 65 -6.748 -0.338 1.047 1.00 4.44 C ATOM 1052 OG SER A 65 -5.954 0.472 0.205 1.00 10.31 O ATOM 0 H SER A 65 -8.790 0.043 -0.416 1.00 1.31 H new ATOM 0 HA SER A 65 -6.690 -1.937 -0.360 1.00 42.20 H new ATOM 0 HB2 SER A 65 -7.492 0.276 1.554 1.00 4.44 H new ATOM 0 HB3 SER A 65 -6.125 -0.787 1.820 1.00 4.44 H new ATOM 0 HG SER A 65 -5.543 1.188 0.733 1.00 10.31 H new ATOM 1058 N ASP A 66 -7.641 -3.701 1.030 1.00 14.30 N ATOM 1059 CA ASP A 66 -8.140 -4.803 1.845 1.00 40.33 C ATOM 1060 C ASP A 66 -7.424 -4.857 3.190 1.00 34.22 C ATOM 1061 O ASP A 66 -6.800 -5.862 3.537 1.00 74.43 O ATOM 1062 CB ASP A 66 -7.974 -6.138 1.105 1.00 32.30 C ATOM 1063 CG ASP A 66 -8.949 -6.296 -0.038 1.00 70.14 C ATOM 1064 OD1 ASP A 66 -10.166 -6.415 0.226 1.00 61.50 O ATOM 1065 OD2 ASP A 66 -8.515 -6.311 -1.204 1.00 55.33 O ATOM 0 H ASP A 66 -6.937 -3.977 0.345 1.00 14.30 H new ATOM 0 HA ASP A 66 -9.201 -4.631 2.028 1.00 40.33 H new ATOM 0 HB2 ASP A 66 -6.956 -6.212 0.722 1.00 32.30 H new ATOM 0 HB3 ASP A 66 -8.110 -6.959 1.809 1.00 32.30 H new ATOM 1070 N CYS A 67 -7.525 -3.779 3.942 1.00 21.34 N ATOM 1071 CA CYS A 67 -6.867 -3.672 5.232 1.00 2.14 C ATOM 1072 C CYS A 67 -7.641 -2.724 6.137 1.00 34.45 C ATOM 1073 O CYS A 67 -8.457 -1.937 5.659 1.00 52.42 O ATOM 1074 CB CYS A 67 -5.439 -3.160 5.042 1.00 10.14 C ATOM 1075 SG CYS A 67 -5.340 -1.566 4.193 1.00 22.40 S ATOM 0 H CYS A 67 -8.064 -2.954 3.678 1.00 21.34 H new ATOM 0 HA CYS A 67 -6.836 -4.657 5.698 1.00 2.14 H new ATOM 0 HB2 CYS A 67 -4.962 -3.071 6.018 1.00 10.14 H new ATOM 0 HB3 CYS A 67 -4.871 -3.898 4.476 1.00 10.14 H new ATOM 0 HG CYS A 67 -6.466 -0.931 4.330 1.00 22.40 H new ATOM 1081 N SER A 68 -7.368 -2.780 7.431 1.00 12.32 N ATOM 1082 CA SER A 68 -8.046 -1.924 8.395 1.00 53.11 C ATOM 1083 C SER A 68 -7.660 -0.452 8.194 1.00 0.22 C ATOM 1084 O SER A 68 -8.436 0.454 8.509 1.00 54.24 O ATOM 1085 CB SER A 68 -7.718 -2.377 9.820 1.00 23.33 C ATOM 1086 OG SER A 68 -8.047 -3.749 10.002 1.00 14.24 O ATOM 0 H SER A 68 -6.679 -3.411 7.840 1.00 12.32 H new ATOM 0 HA SER A 68 -9.121 -2.011 8.236 1.00 53.11 H new ATOM 0 HB2 SER A 68 -6.658 -2.223 10.020 1.00 23.33 H new ATOM 0 HB3 SER A 68 -8.270 -1.768 10.536 1.00 23.33 H new ATOM 0 HG SER A 68 -7.828 -4.019 10.918 1.00 14.24 H new ATOM 1092 N SER A 69 -6.468 -0.224 7.643 1.00 5.34 N ATOM 1093 CA SER A 69 -5.974 1.126 7.381 1.00 3.14 C ATOM 1094 C SER A 69 -6.871 1.862 6.386 1.00 32.10 C ATOM 1095 O SER A 69 -6.863 3.089 6.325 1.00 44.51 O ATOM 1096 CB SER A 69 -4.551 1.072 6.842 1.00 11.04 C ATOM 1097 OG SER A 69 -3.718 0.270 7.661 1.00 31.11 O ATOM 0 H SER A 69 -5.822 -0.964 7.368 1.00 5.34 H new ATOM 0 HA SER A 69 -5.985 1.672 8.324 1.00 3.14 H new ATOM 0 HB2 SER A 69 -4.559 0.673 5.828 1.00 11.04 H new ATOM 0 HB3 SER A 69 -4.144 2.081 6.784 1.00 11.04 H new ATOM 0 HG SER A 69 -2.874 0.093 7.195 1.00 31.11 H new ATOM 1103 N ALA A 70 -7.629 1.101 5.605 1.00 40.11 N ATOM 1104 CA ALA A 70 -8.517 1.664 4.597 1.00 1.53 C ATOM 1105 C ALA A 70 -9.501 2.654 5.208 1.00 71.42 C ATOM 1106 O ALA A 70 -9.821 3.671 4.604 1.00 64.14 O ATOM 1107 CB ALA A 70 -9.266 0.557 3.886 1.00 62.24 C ATOM 0 H ALA A 70 -7.645 0.082 5.653 1.00 40.11 H new ATOM 0 HA ALA A 70 -7.903 2.205 3.877 1.00 1.53 H new ATOM 0 HB1 ALA A 70 -9.927 0.989 3.135 1.00 62.24 H new ATOM 0 HB2 ALA A 70 -8.554 -0.111 3.402 1.00 62.24 H new ATOM 0 HB3 ALA A 70 -9.857 -0.005 4.609 1.00 62.24 H new ATOM 1113 N LYS A 71 -9.956 2.367 6.420 1.00 31.11 N ATOM 1114 CA LYS A 71 -10.913 3.237 7.099 1.00 44.53 C ATOM 1115 C LYS A 71 -10.191 4.338 7.881 1.00 71.43 C ATOM 1116 O LYS A 71 -10.798 5.069 8.666 1.00 12.21 O ATOM 1117 CB LYS A 71 -11.820 2.416 8.019 1.00 34.23 C ATOM 1118 CG LYS A 71 -12.590 1.324 7.285 1.00 30.13 C ATOM 1119 CD LYS A 71 -13.444 0.481 8.229 1.00 34.45 C ATOM 1120 CE LYS A 71 -14.801 1.118 8.529 1.00 54.20 C ATOM 1121 NZ LYS A 71 -14.700 2.357 9.346 1.00 41.15 N ATOM 0 H LYS A 71 -9.681 1.542 6.953 1.00 31.11 H new ATOM 0 HA LYS A 71 -11.536 3.718 6.345 1.00 44.53 H new ATOM 0 HB2 LYS A 71 -11.215 1.961 8.803 1.00 34.23 H new ATOM 0 HB3 LYS A 71 -12.528 3.083 8.510 1.00 34.23 H new ATOM 0 HG2 LYS A 71 -13.230 1.779 6.529 1.00 30.13 H new ATOM 0 HG3 LYS A 71 -11.887 0.677 6.760 1.00 30.13 H new ATOM 0 HD2 LYS A 71 -13.600 -0.504 7.789 1.00 34.45 H new ATOM 0 HD3 LYS A 71 -12.904 0.331 9.164 1.00 34.45 H new ATOM 0 HE2 LYS A 71 -15.302 1.350 7.589 1.00 54.20 H new ATOM 0 HE3 LYS A 71 -15.426 0.395 9.053 1.00 54.20 H new ATOM 0 HZ1 LYS A 71 -15.556 2.460 9.927 1.00 41.15 H new ATOM 0 HZ2 LYS A 71 -13.866 2.298 9.965 1.00 41.15 H new ATOM 0 HZ3 LYS A 71 -14.607 3.180 8.718 1.00 41.15 H new ATOM 1135 N ALA A 72 -8.898 4.445 7.649 1.00 43.11 N ATOM 1136 CA ALA A 72 -8.071 5.459 8.273 1.00 65.40 C ATOM 1137 C ALA A 72 -7.397 6.293 7.190 1.00 51.53 C ATOM 1138 O ALA A 72 -6.317 6.859 7.397 1.00 71.33 O ATOM 1139 CB ALA A 72 -7.030 4.803 9.171 1.00 15.14 C ATOM 0 H ALA A 72 -8.388 3.827 7.018 1.00 43.11 H new ATOM 0 HA ALA A 72 -8.691 6.110 8.889 1.00 65.40 H new ATOM 0 HB1 ALA A 72 -6.413 5.572 9.635 1.00 15.14 H new ATOM 0 HB2 ALA A 72 -7.531 4.223 9.946 1.00 15.14 H new ATOM 0 HB3 ALA A 72 -6.399 4.143 8.575 1.00 15.14 H new ATOM 1145 N ARG A 73 -8.061 6.355 6.023 1.00 30.52 N ATOM 1146 CA ARG A 73 -7.574 7.091 4.841 1.00 60.54 C ATOM 1147 C ARG A 73 -6.338 6.423 4.233 1.00 34.13 C ATOM 1148 O ARG A 73 -5.707 6.972 3.335 1.00 55.40 O ATOM 1149 CB ARG A 73 -7.270 8.563 5.178 1.00 31.10 C ATOM 1150 CG ARG A 73 -8.464 9.345 5.705 1.00 22.42 C ATOM 1151 CD ARG A 73 -8.108 10.807 5.938 1.00 12.42 C ATOM 1152 NE ARG A 73 -7.751 11.489 4.690 1.00 2.30 N ATOM 1153 CZ ARG A 73 -6.963 12.565 4.605 1.00 20.41 C ATOM 1154 NH1 ARG A 73 -6.429 13.094 5.702 1.00 24.21 N ATOM 1155 NH2 ARG A 73 -6.716 13.112 3.419 1.00 43.45 N ATOM 0 H ARG A 73 -8.957 5.893 5.871 1.00 30.52 H new ATOM 0 HA ARG A 73 -8.375 7.067 4.102 1.00 60.54 H new ATOM 0 HB2 ARG A 73 -6.473 8.596 5.920 1.00 31.10 H new ATOM 0 HB3 ARG A 73 -6.893 9.058 4.283 1.00 31.10 H new ATOM 0 HG2 ARG A 73 -9.288 9.278 4.994 1.00 22.42 H new ATOM 0 HG3 ARG A 73 -8.810 8.900 6.638 1.00 22.42 H new ATOM 0 HD2 ARG A 73 -8.953 11.317 6.401 1.00 12.42 H new ATOM 0 HD3 ARG A 73 -7.275 10.871 6.638 1.00 12.42 H new ATOM 0 HE ARG A 73 -8.133 11.114 3.822 1.00 2.30 H new ATOM 0 HH11 ARG A 73 -6.620 12.678 6.614 1.00 24.21 H new ATOM 0 HH12 ARG A 73 -5.828 13.915 5.632 1.00 24.21 H new ATOM 0 HH21 ARG A 73 -7.128 12.710 2.577 1.00 43.45 H new ATOM 0 HH22 ARG A 73 -6.115 13.933 3.351 1.00 43.45 H new ATOM 1169 N GLY A 74 -6.003 5.235 4.727 1.00 12.40 N ATOM 1170 CA GLY A 74 -4.833 4.522 4.241 1.00 1.11 C ATOM 1171 C GLY A 74 -3.552 5.066 4.841 1.00 3.03 C ATOM 1172 O GLY A 74 -2.464 4.540 4.595 1.00 11.13 O ATOM 0 H GLY A 74 -6.523 4.751 5.459 1.00 12.40 H new ATOM 0 HA2 GLY A 74 -4.926 3.463 4.483 1.00 1.11 H new ATOM 0 HA3 GLY A 74 -4.786 4.598 3.155 1.00 1.11 H new ATOM 1176 N ASP A 75 -3.696 6.105 5.640 1.00 64.40 N ATOM 1177 CA ASP A 75 -2.578 6.786 6.272 1.00 51.23 C ATOM 1178 C ASP A 75 -2.186 6.116 7.579 1.00 24.41 C ATOM 1179 O ASP A 75 -3.046 5.734 8.377 1.00 0.53 O ATOM 1180 CB ASP A 75 -2.947 8.256 6.504 1.00 50.13 C ATOM 1181 CG ASP A 75 -2.116 8.935 7.573 1.00 31.14 C ATOM 1182 OD1 ASP A 75 -2.701 9.366 8.596 1.00 2.23 O ATOM 1183 OD2 ASP A 75 -0.891 9.052 7.401 1.00 5.14 O ATOM 0 H ASP A 75 -4.604 6.507 5.873 1.00 64.40 H new ATOM 0 HA ASP A 75 -1.714 6.729 5.610 1.00 51.23 H new ATOM 0 HB2 ASP A 75 -2.833 8.802 5.567 1.00 50.13 H new ATOM 0 HB3 ASP A 75 -3.999 8.317 6.782 1.00 50.13 H new ATOM 1188 N LEU A 76 -0.886 5.966 7.788 1.00 22.03 N ATOM 1189 CA LEU A 76 -0.371 5.354 9.003 1.00 73.02 C ATOM 1190 C LEU A 76 0.272 6.394 9.906 1.00 2.11 C ATOM 1191 O LEU A 76 0.773 6.070 10.984 1.00 74.53 O ATOM 1192 CB LEU A 76 0.640 4.251 8.674 1.00 72.14 C ATOM 1193 CG LEU A 76 0.087 3.041 7.918 1.00 61.52 C ATOM 1194 CD1 LEU A 76 1.192 2.033 7.650 1.00 65.41 C ATOM 1195 CD2 LEU A 76 -1.049 2.390 8.697 1.00 12.11 C ATOM 0 H LEU A 76 -0.166 6.261 7.128 1.00 22.03 H new ATOM 0 HA LEU A 76 -1.214 4.909 9.531 1.00 73.02 H new ATOM 0 HB2 LEU A 76 1.445 4.687 8.083 1.00 72.14 H new ATOM 0 HB3 LEU A 76 1.083 3.901 9.606 1.00 72.14 H new ATOM 0 HG LEU A 76 -0.308 3.387 6.963 1.00 61.52 H new ATOM 0 HD11 LEU A 76 0.782 1.178 7.112 1.00 65.41 H new ATOM 0 HD12 LEU A 76 1.973 2.500 7.049 1.00 65.41 H new ATOM 0 HD13 LEU A 76 1.615 1.697 8.597 1.00 65.41 H new ATOM 0 HD21 LEU A 76 -1.427 1.532 8.141 1.00 12.11 H new ATOM 0 HD22 LEU A 76 -0.681 2.059 9.668 1.00 12.11 H new ATOM 0 HD23 LEU A 76 -1.853 3.112 8.840 1.00 12.11 H new ATOM 1207 N GLY A 77 0.259 7.639 9.467 1.00 64.14 N ATOM 1208 CA GLY A 77 0.830 8.702 10.254 1.00 34.23 C ATOM 1209 C GLY A 77 2.316 8.840 10.040 1.00 61.21 C ATOM 1210 O GLY A 77 2.884 8.225 9.132 1.00 12.35 O ATOM 0 H GLY A 77 -0.139 7.932 8.575 1.00 64.14 H new ATOM 0 HA2 GLY A 77 0.340 9.642 10.000 1.00 34.23 H new ATOM 0 HA3 GLY A 77 0.633 8.515 11.310 1.00 34.23 H new ATOM 1214 N ALA A 78 2.946 9.649 10.864 1.00 12.42 N ATOM 1215 CA ALA A 78 4.368 9.871 10.771 1.00 32.45 C ATOM 1216 C ALA A 78 5.111 9.003 11.771 1.00 0.32 C ATOM 1217 O ALA A 78 4.899 9.108 12.979 1.00 72.35 O ATOM 1218 CB ALA A 78 4.692 11.341 10.993 1.00 11.45 C ATOM 0 H ALA A 78 2.487 10.168 11.613 1.00 12.42 H new ATOM 0 HA ALA A 78 4.695 9.594 9.769 1.00 32.45 H new ATOM 0 HB1 ALA A 78 5.769 11.491 10.920 1.00 11.45 H new ATOM 0 HB2 ALA A 78 4.189 11.943 10.236 1.00 11.45 H new ATOM 0 HB3 ALA A 78 4.350 11.643 11.983 1.00 11.45 H new ATOM 1224 N PHE A 79 5.989 8.163 11.270 1.00 3.33 N ATOM 1225 CA PHE A 79 6.755 7.259 12.110 1.00 23.04 C ATOM 1226 C PHE A 79 8.242 7.381 11.815 1.00 30.14 C ATOM 1227 O PHE A 79 8.653 8.201 10.985 1.00 75.44 O ATOM 1228 CB PHE A 79 6.281 5.806 11.918 1.00 3.20 C ATOM 1229 CG PHE A 79 6.281 5.336 10.484 1.00 74.52 C ATOM 1230 CD1 PHE A 79 5.140 5.448 9.704 1.00 32.21 C ATOM 1231 CD2 PHE A 79 7.420 4.781 9.918 1.00 2.21 C ATOM 1232 CE1 PHE A 79 5.135 5.018 8.394 1.00 60.10 C ATOM 1233 CE2 PHE A 79 7.420 4.350 8.607 1.00 52.11 C ATOM 1234 CZ PHE A 79 6.277 4.469 7.844 1.00 0.24 C ATOM 0 H PHE A 79 6.194 8.084 10.274 1.00 3.33 H new ATOM 0 HA PHE A 79 6.590 7.538 13.151 1.00 23.04 H new ATOM 0 HB2 PHE A 79 6.922 5.147 12.504 1.00 3.20 H new ATOM 0 HB3 PHE A 79 5.272 5.709 12.320 1.00 3.20 H new ATOM 0 HD1 PHE A 79 4.244 5.877 10.128 1.00 32.21 H new ATOM 0 HD2 PHE A 79 8.318 4.685 10.511 1.00 2.21 H new ATOM 0 HE1 PHE A 79 4.239 5.110 7.798 1.00 60.10 H new ATOM 0 HE2 PHE A 79 8.314 3.920 8.179 1.00 52.11 H new ATOM 0 HZ PHE A 79 6.275 4.133 6.818 1.00 0.24 H new ATOM 1244 N SER A 80 9.039 6.575 12.490 1.00 53.22 N ATOM 1245 CA SER A 80 10.472 6.595 12.310 1.00 20.14 C ATOM 1246 C SER A 80 10.967 5.199 11.908 1.00 53.33 C ATOM 1247 O SER A 80 10.168 4.267 11.781 1.00 42.02 O ATOM 1248 CB SER A 80 11.151 7.055 13.605 1.00 52.02 C ATOM 1249 OG SER A 80 12.403 7.664 13.341 1.00 54.03 O ATOM 0 H SER A 80 8.711 5.893 13.174 1.00 53.22 H new ATOM 0 HA SER A 80 10.727 7.296 11.515 1.00 20.14 H new ATOM 0 HB2 SER A 80 10.504 7.760 14.127 1.00 52.02 H new ATOM 0 HB3 SER A 80 11.292 6.201 14.268 1.00 52.02 H new ATOM 0 HG SER A 80 12.261 8.582 13.030 1.00 54.03 H new ATOM 1255 N ARG A 81 12.274 5.064 11.713 1.00 62.13 N ATOM 1256 CA ARG A 81 12.867 3.790 11.314 1.00 43.14 C ATOM 1257 C ARG A 81 12.859 2.793 12.461 1.00 64.10 C ATOM 1258 O ARG A 81 13.049 3.161 13.623 1.00 2.43 O ATOM 1259 CB ARG A 81 14.303 3.989 10.819 1.00 51.33 C ATOM 1260 CG ARG A 81 14.412 4.769 9.523 1.00 42.43 C ATOM 1261 CD ARG A 81 15.861 5.002 9.131 1.00 2.13 C ATOM 1262 NE ARG A 81 16.566 5.833 10.109 1.00 42.32 N ATOM 1263 CZ ARG A 81 17.874 6.099 10.074 1.00 72.54 C ATOM 1264 NH1 ARG A 81 18.633 5.594 9.107 1.00 2.30 N ATOM 1265 NH2 ARG A 81 18.418 6.875 11.001 1.00 73.01 N ATOM 0 H ARG A 81 12.946 5.823 11.825 1.00 62.13 H new ATOM 0 HA ARG A 81 12.260 3.391 10.501 1.00 43.14 H new ATOM 0 HB2 ARG A 81 14.873 4.507 11.591 1.00 51.33 H new ATOM 0 HB3 ARG A 81 14.767 3.012 10.682 1.00 51.33 H new ATOM 0 HG2 ARG A 81 13.902 4.226 8.727 1.00 42.43 H new ATOM 0 HG3 ARG A 81 13.905 5.728 9.631 1.00 42.43 H new ATOM 0 HD2 ARG A 81 16.370 4.043 9.036 1.00 2.13 H new ATOM 0 HD3 ARG A 81 15.900 5.481 8.153 1.00 2.13 H new ATOM 0 HE ARG A 81 16.020 6.237 10.870 1.00 42.32 H new ATOM 0 HH11 ARG A 81 18.217 5.001 8.389 1.00 2.30 H new ATOM 0 HH12 ARG A 81 19.632 5.799 9.083 1.00 2.30 H new ATOM 0 HH21 ARG A 81 17.837 7.269 11.741 1.00 73.01 H new ATOM 0 HH22 ARG A 81 19.417 7.078 10.974 1.00 73.01 H new ATOM 1279 N GLY A 82 12.635 1.538 12.130 1.00 42.31 N ATOM 1280 CA GLY A 82 12.642 0.496 13.122 1.00 51.33 C ATOM 1281 C GLY A 82 11.301 0.327 13.790 1.00 21.11 C ATOM 1282 O GLY A 82 11.230 0.000 14.976 1.00 34.10 O ATOM 0 H GLY A 82 12.446 1.220 11.179 1.00 42.31 H new ATOM 0 HA2 GLY A 82 12.933 -0.445 12.654 1.00 51.33 H new ATOM 0 HA3 GLY A 82 13.395 0.722 13.877 1.00 51.33 H new ATOM 1286 N GLN A 83 10.237 0.558 13.043 1.00 11.25 N ATOM 1287 CA GLN A 83 8.893 0.424 13.575 1.00 50.20 C ATOM 1288 C GLN A 83 8.041 -0.469 12.689 1.00 43.11 C ATOM 1289 O GLN A 83 7.420 -1.420 13.162 1.00 54.33 O ATOM 1290 CB GLN A 83 8.215 1.790 13.709 1.00 45.24 C ATOM 1291 CG GLN A 83 8.915 2.756 14.649 1.00 13.20 C ATOM 1292 CD GLN A 83 8.108 4.019 14.886 1.00 22.34 C ATOM 1293 OE1 GLN A 83 8.664 5.098 15.089 1.00 20.55 O ATOM 1294 NE2 GLN A 83 6.790 3.895 14.874 1.00 25.15 N ATOM 0 H GLN A 83 10.278 0.840 12.064 1.00 11.25 H new ATOM 0 HA GLN A 83 8.982 -0.030 14.562 1.00 50.20 H new ATOM 0 HB2 GLN A 83 8.151 2.247 12.722 1.00 45.24 H new ATOM 0 HB3 GLN A 83 7.193 1.641 14.058 1.00 45.24 H new ATOM 0 HG2 GLN A 83 9.099 2.261 15.603 1.00 13.20 H new ATOM 0 HG3 GLN A 83 9.887 3.022 14.235 1.00 13.20 H new ATOM 0 HE21 GLN A 83 6.365 2.984 14.702 1.00 25.15 H new ATOM 0 HE22 GLN A 83 6.200 4.711 15.037 1.00 25.15 H new ATOM 1303 N MET A 84 8.033 -0.175 11.404 1.00 43.33 N ATOM 1304 CA MET A 84 7.196 -0.897 10.464 1.00 51.54 C ATOM 1305 C MET A 84 7.940 -2.076 9.855 1.00 54.25 C ATOM 1306 O MET A 84 9.105 -2.327 10.179 1.00 23.22 O ATOM 1307 CB MET A 84 6.692 0.042 9.363 1.00 30.14 C ATOM 1308 CG MET A 84 5.768 1.140 9.866 1.00 53.31 C ATOM 1309 SD MET A 84 4.252 0.492 10.599 1.00 14.43 S ATOM 1310 CE MET A 84 3.469 2.008 11.147 1.00 35.10 C ATOM 0 H MET A 84 8.599 0.562 10.985 1.00 43.33 H new ATOM 0 HA MET A 84 6.338 -1.287 11.012 1.00 51.54 H new ATOM 0 HB2 MET A 84 7.549 0.500 8.869 1.00 30.14 H new ATOM 0 HB3 MET A 84 6.166 -0.546 8.610 1.00 30.14 H new ATOM 0 HG2 MET A 84 6.295 1.743 10.605 1.00 53.31 H new ATOM 0 HG3 MET A 84 5.513 1.802 9.038 1.00 53.31 H new ATOM 0 HE1 MET A 84 2.517 1.774 11.623 1.00 35.10 H new ATOM 0 HE2 MET A 84 4.117 2.515 11.862 1.00 35.10 H new ATOM 0 HE3 MET A 84 3.296 2.659 10.290 1.00 35.10 H new ATOM 1320 N GLN A 85 7.255 -2.809 8.986 1.00 51.44 N ATOM 1321 CA GLN A 85 7.843 -3.958 8.311 1.00 1.14 C ATOM 1322 C GLN A 85 8.949 -3.502 7.372 1.00 50.35 C ATOM 1323 O GLN A 85 8.796 -2.497 6.682 1.00 4.14 O ATOM 1324 CB GLN A 85 6.771 -4.719 7.525 1.00 5.23 C ATOM 1325 CG GLN A 85 5.629 -5.244 8.384 1.00 13.43 C ATOM 1326 CD GLN A 85 6.097 -6.233 9.434 1.00 72.42 C ATOM 1327 OE1 GLN A 85 6.160 -7.435 9.185 1.00 62.35 O ATOM 1328 NE2 GLN A 85 6.415 -5.738 10.614 1.00 51.51 N ATOM 0 H GLN A 85 6.285 -2.626 8.731 1.00 51.44 H new ATOM 0 HA GLN A 85 8.267 -4.624 9.062 1.00 1.14 H new ATOM 0 HB2 GLN A 85 6.362 -4.061 6.758 1.00 5.23 H new ATOM 0 HB3 GLN A 85 7.240 -5.557 7.010 1.00 5.23 H new ATOM 0 HG2 GLN A 85 5.133 -4.406 8.874 1.00 13.43 H new ATOM 0 HG3 GLN A 85 4.888 -5.723 7.744 1.00 13.43 H new ATOM 0 HE21 GLN A 85 6.349 -4.734 10.780 1.00 51.51 H new ATOM 0 HE22 GLN A 85 6.727 -6.359 11.360 1.00 51.51 H new ATOM 1337 N LYS A 86 10.049 -4.252 7.345 1.00 74.04 N ATOM 1338 CA LYS A 86 11.225 -3.916 6.528 1.00 53.34 C ATOM 1339 C LYS A 86 10.875 -3.522 5.069 1.00 60.21 C ATOM 1340 O LYS A 86 11.266 -2.443 4.629 1.00 4.45 O ATOM 1341 CB LYS A 86 12.267 -5.054 6.566 1.00 41.45 C ATOM 1342 CG LYS A 86 13.492 -4.823 5.689 1.00 54.52 C ATOM 1343 CD LYS A 86 14.252 -3.574 6.105 1.00 32.23 C ATOM 1344 CE LYS A 86 15.506 -3.383 5.268 1.00 42.45 C ATOM 1345 NZ LYS A 86 16.477 -4.493 5.450 1.00 4.33 N ATOM 0 H LYS A 86 10.155 -5.110 7.886 1.00 74.04 H new ATOM 0 HA LYS A 86 11.663 -3.026 6.979 1.00 53.34 H new ATOM 0 HB2 LYS A 86 12.595 -5.194 7.596 1.00 41.45 H new ATOM 0 HB3 LYS A 86 11.784 -5.981 6.256 1.00 41.45 H new ATOM 0 HG2 LYS A 86 14.152 -5.688 5.750 1.00 54.52 H new ATOM 0 HG3 LYS A 86 13.182 -4.731 4.648 1.00 54.52 H new ATOM 0 HD2 LYS A 86 13.607 -2.702 6.000 1.00 32.23 H new ATOM 0 HD3 LYS A 86 14.523 -3.645 7.158 1.00 32.23 H new ATOM 0 HE2 LYS A 86 15.231 -3.312 4.216 1.00 42.45 H new ATOM 0 HE3 LYS A 86 15.981 -2.440 5.538 1.00 42.45 H new ATOM 0 HZ1 LYS A 86 17.399 -4.215 5.058 1.00 4.33 H new ATOM 0 HZ2 LYS A 86 16.580 -4.701 6.464 1.00 4.33 H new ATOM 0 HZ3 LYS A 86 16.132 -5.341 4.956 1.00 4.33 H new ATOM 1359 N PRO A 87 10.127 -4.371 4.297 1.00 44.01 N ATOM 1360 CA PRO A 87 9.788 -4.058 2.896 1.00 73.13 C ATOM 1361 C PRO A 87 9.045 -2.730 2.754 1.00 51.12 C ATOM 1362 O PRO A 87 9.305 -1.958 1.838 1.00 55.12 O ATOM 1363 CB PRO A 87 8.873 -5.217 2.475 1.00 62.14 C ATOM 1364 CG PRO A 87 9.213 -6.326 3.402 1.00 45.32 C ATOM 1365 CD PRO A 87 9.562 -5.676 4.709 1.00 44.53 C ATOM 0 HA PRO A 87 10.684 -3.955 2.284 1.00 73.13 H new ATOM 0 HB2 PRO A 87 7.822 -4.941 2.558 1.00 62.14 H new ATOM 0 HB3 PRO A 87 9.047 -5.502 1.437 1.00 62.14 H new ATOM 0 HG2 PRO A 87 8.372 -7.010 3.518 1.00 45.32 H new ATOM 0 HG3 PRO A 87 10.050 -6.911 3.021 1.00 45.32 H new ATOM 0 HD2 PRO A 87 8.685 -5.553 5.344 1.00 44.53 H new ATOM 0 HD3 PRO A 87 10.283 -6.267 5.273 1.00 44.53 H new ATOM 1373 N PHE A 88 8.130 -2.475 3.677 1.00 74.05 N ATOM 1374 CA PHE A 88 7.320 -1.265 3.649 1.00 60.41 C ATOM 1375 C PHE A 88 8.109 -0.048 4.132 1.00 62.22 C ATOM 1376 O PHE A 88 8.159 0.984 3.462 1.00 33.44 O ATOM 1377 CB PHE A 88 6.062 -1.457 4.513 1.00 43.05 C ATOM 1378 CG PHE A 88 5.187 -0.235 4.607 1.00 11.23 C ATOM 1379 CD1 PHE A 88 5.256 0.602 5.712 1.00 13.11 C ATOM 1380 CD2 PHE A 88 4.300 0.077 3.594 1.00 2.24 C ATOM 1381 CE1 PHE A 88 4.457 1.725 5.799 1.00 33.03 C ATOM 1382 CE2 PHE A 88 3.497 1.198 3.676 1.00 51.24 C ATOM 1383 CZ PHE A 88 3.575 2.022 4.779 1.00 14.33 C ATOM 0 H PHE A 88 7.928 -3.095 4.461 1.00 74.05 H new ATOM 0 HA PHE A 88 7.027 -1.081 2.615 1.00 60.41 H new ATOM 0 HB2 PHE A 88 5.476 -2.280 4.104 1.00 43.05 H new ATOM 0 HB3 PHE A 88 6.366 -1.751 5.518 1.00 43.05 H new ATOM 0 HD1 PHE A 88 5.943 0.372 6.513 1.00 13.11 H new ATOM 0 HD2 PHE A 88 4.234 -0.564 2.727 1.00 2.24 H new ATOM 0 HE1 PHE A 88 4.522 2.370 6.663 1.00 33.03 H new ATOM 0 HE2 PHE A 88 2.808 1.429 2.877 1.00 51.24 H new ATOM 0 HZ PHE A 88 2.947 2.898 4.845 1.00 14.33 H new ATOM 1393 N GLU A 89 8.734 -0.186 5.288 1.00 65.03 N ATOM 1394 CA GLU A 89 9.443 0.912 5.923 1.00 53.11 C ATOM 1395 C GLU A 89 10.630 1.375 5.091 1.00 25.21 C ATOM 1396 O GLU A 89 10.793 2.569 4.836 1.00 41.45 O ATOM 1397 CB GLU A 89 9.917 0.495 7.307 1.00 53.04 C ATOM 1398 CG GLU A 89 10.440 1.640 8.144 1.00 13.43 C ATOM 1399 CD GLU A 89 10.995 1.176 9.459 1.00 43.23 C ATOM 1400 OE1 GLU A 89 10.232 1.089 10.429 1.00 33.12 O ATOM 1401 OE2 GLU A 89 12.212 0.878 9.525 1.00 62.43 O ATOM 0 H GLU A 89 8.765 -1.060 5.812 1.00 65.03 H new ATOM 0 HA GLU A 89 8.748 1.747 6.008 1.00 53.11 H new ATOM 0 HB2 GLU A 89 9.091 0.019 7.835 1.00 53.04 H new ATOM 0 HB3 GLU A 89 10.702 -0.254 7.202 1.00 53.04 H new ATOM 0 HG2 GLU A 89 11.217 2.167 7.590 1.00 13.43 H new ATOM 0 HG3 GLU A 89 9.636 2.354 8.323 1.00 13.43 H new ATOM 1408 N ASP A 90 11.452 0.434 4.657 1.00 62.01 N ATOM 1409 CA ASP A 90 12.645 0.771 3.892 1.00 54.44 C ATOM 1410 C ASP A 90 12.276 1.407 2.558 1.00 62.22 C ATOM 1411 O ASP A 90 13.004 2.253 2.044 1.00 34.32 O ATOM 1412 CB ASP A 90 13.524 -0.461 3.681 1.00 72.24 C ATOM 1413 CG ASP A 90 14.831 -0.133 2.992 1.00 2.42 C ATOM 1414 OD1 ASP A 90 15.671 0.583 3.591 1.00 51.12 O ATOM 1415 OD2 ASP A 90 15.042 -0.607 1.862 1.00 14.00 O ATOM 0 H ASP A 90 11.318 -0.564 4.819 1.00 62.01 H new ATOM 0 HA ASP A 90 13.216 1.500 4.467 1.00 54.44 H new ATOM 0 HB2 ASP A 90 13.732 -0.924 4.646 1.00 72.24 H new ATOM 0 HB3 ASP A 90 12.979 -1.194 3.087 1.00 72.24 H new ATOM 1420 N ALA A 91 11.130 1.013 2.014 1.00 42.25 N ATOM 1421 CA ALA A 91 10.647 1.579 0.764 1.00 60.04 C ATOM 1422 C ALA A 91 10.154 3.002 0.983 1.00 4.01 C ATOM 1423 O ALA A 91 10.379 3.879 0.155 1.00 52.15 O ATOM 1424 CB ALA A 91 9.542 0.722 0.178 1.00 64.22 C ATOM 0 H ALA A 91 10.520 0.304 2.420 1.00 42.25 H new ATOM 0 HA ALA A 91 11.475 1.601 0.055 1.00 60.04 H new ATOM 0 HB1 ALA A 91 9.196 1.164 -0.756 1.00 64.22 H new ATOM 0 HB2 ALA A 91 9.923 -0.281 -0.014 1.00 64.22 H new ATOM 0 HB3 ALA A 91 8.712 0.666 0.883 1.00 64.22 H new ATOM 1430 N ALA A 92 9.486 3.224 2.112 1.00 14.11 N ATOM 1431 CA ALA A 92 8.986 4.548 2.460 1.00 3.42 C ATOM 1432 C ALA A 92 10.143 5.527 2.613 1.00 14.32 C ATOM 1433 O ALA A 92 10.093 6.654 2.117 1.00 52.43 O ATOM 1434 CB ALA A 92 8.163 4.488 3.740 1.00 31.30 C ATOM 0 H ALA A 92 9.279 2.502 2.802 1.00 14.11 H new ATOM 0 HA ALA A 92 8.341 4.898 1.654 1.00 3.42 H new ATOM 0 HB1 ALA A 92 7.798 5.485 3.985 1.00 31.30 H new ATOM 0 HB2 ALA A 92 7.316 3.816 3.597 1.00 31.30 H new ATOM 0 HB3 ALA A 92 8.785 4.119 4.556 1.00 31.30 H new ATOM 1440 N PHE A 93 11.198 5.082 3.283 1.00 71.22 N ATOM 1441 CA PHE A 93 12.384 5.908 3.477 1.00 74.02 C ATOM 1442 C PHE A 93 13.214 5.996 2.197 1.00 63.12 C ATOM 1443 O PHE A 93 14.168 6.759 2.115 1.00 1.32 O ATOM 1444 CB PHE A 93 13.229 5.388 4.644 1.00 62.04 C ATOM 1445 CG PHE A 93 12.633 5.685 5.996 1.00 21.34 C ATOM 1446 CD1 PHE A 93 11.781 4.786 6.612 1.00 20.25 C ATOM 1447 CD2 PHE A 93 12.927 6.870 6.647 1.00 52.52 C ATOM 1448 CE1 PHE A 93 11.234 5.063 7.849 1.00 61.32 C ATOM 1449 CE2 PHE A 93 12.384 7.154 7.884 1.00 22.21 C ATOM 1450 CZ PHE A 93 11.536 6.248 8.486 1.00 11.21 C ATOM 0 H PHE A 93 11.257 4.154 3.702 1.00 71.22 H new ATOM 0 HA PHE A 93 12.050 6.915 3.725 1.00 74.02 H new ATOM 0 HB2 PHE A 93 13.354 4.310 4.540 1.00 62.04 H new ATOM 0 HB3 PHE A 93 14.223 5.831 4.588 1.00 62.04 H new ATOM 0 HD1 PHE A 93 11.541 3.856 6.119 1.00 20.25 H new ATOM 0 HD2 PHE A 93 13.591 7.583 6.181 1.00 52.52 H new ATOM 0 HE1 PHE A 93 10.570 4.352 8.318 1.00 61.32 H new ATOM 0 HE2 PHE A 93 12.623 8.084 8.379 1.00 22.21 H new ATOM 0 HZ PHE A 93 11.110 6.466 9.454 1.00 11.21 H new ATOM 1460 N ALA A 94 12.839 5.211 1.200 1.00 50.10 N ATOM 1461 CA ALA A 94 13.511 5.244 -0.090 1.00 30.41 C ATOM 1462 C ALA A 94 12.810 6.223 -1.015 1.00 61.21 C ATOM 1463 O ALA A 94 13.284 6.514 -2.113 1.00 32.54 O ATOM 1464 CB ALA A 94 13.535 3.857 -0.716 1.00 13.22 C ATOM 0 H ALA A 94 12.071 4.542 1.259 1.00 50.10 H new ATOM 0 HA ALA A 94 14.539 5.572 0.062 1.00 30.41 H new ATOM 0 HB1 ALA A 94 14.042 3.902 -1.680 1.00 13.22 H new ATOM 0 HB2 ALA A 94 14.067 3.170 -0.058 1.00 13.22 H new ATOM 0 HB3 ALA A 94 12.513 3.505 -0.859 1.00 13.22 H new ATOM 1470 N LEU A 95 11.674 6.726 -0.563 1.00 21.30 N ATOM 1471 CA LEU A 95 10.884 7.666 -1.336 1.00 33.31 C ATOM 1472 C LEU A 95 11.241 9.102 -0.974 1.00 35.21 C ATOM 1473 O LEU A 95 12.174 9.349 -0.211 1.00 70.32 O ATOM 1474 CB LEU A 95 9.391 7.432 -1.092 1.00 54.25 C ATOM 1475 CG LEU A 95 8.844 6.071 -1.511 1.00 43.44 C ATOM 1476 CD1 LEU A 95 7.366 5.976 -1.174 1.00 11.24 C ATOM 1477 CD2 LEU A 95 9.071 5.838 -2.998 1.00 42.14 C ATOM 0 H LEU A 95 11.275 6.495 0.347 1.00 21.30 H new ATOM 0 HA LEU A 95 11.107 7.505 -2.391 1.00 33.31 H new ATOM 0 HB2 LEU A 95 9.192 7.568 -0.029 1.00 54.25 H new ATOM 0 HB3 LEU A 95 8.832 8.203 -1.622 1.00 54.25 H new ATOM 0 HG LEU A 95 9.377 5.296 -0.961 1.00 43.44 H new ATOM 0 HD11 LEU A 95 6.986 5.001 -1.477 1.00 11.24 H new ATOM 0 HD12 LEU A 95 7.229 6.101 -0.100 1.00 11.24 H new ATOM 0 HD13 LEU A 95 6.821 6.758 -1.703 1.00 11.24 H new ATOM 0 HD21 LEU A 95 8.674 4.862 -3.278 1.00 42.14 H new ATOM 0 HD22 LEU A 95 8.562 6.614 -3.570 1.00 42.14 H new ATOM 0 HD23 LEU A 95 10.139 5.870 -3.212 1.00 42.14 H new ATOM 1489 N ARG A 96 10.492 10.037 -1.526 1.00 0.32 N ATOM 1490 CA ARG A 96 10.692 11.452 -1.267 1.00 71.34 C ATOM 1491 C ARG A 96 9.357 12.120 -0.973 1.00 64.34 C ATOM 1492 O ARG A 96 8.315 11.461 -0.992 1.00 12.23 O ATOM 1493 CB ARG A 96 11.373 12.129 -2.466 1.00 11.01 C ATOM 1494 CG ARG A 96 12.782 11.629 -2.742 1.00 55.51 C ATOM 1495 CD ARG A 96 13.672 11.822 -1.528 1.00 20.44 C ATOM 1496 NE ARG A 96 15.036 11.353 -1.747 1.00 43.41 N ATOM 1497 CZ ARG A 96 15.734 10.656 -0.845 1.00 74.21 C ATOM 1498 NH1 ARG A 96 15.146 10.239 0.269 1.00 33.23 N ATOM 1499 NH2 ARG A 96 17.006 10.354 -1.073 1.00 31.33 N ATOM 0 H ARG A 96 9.725 9.837 -2.169 1.00 0.32 H new ATOM 0 HA ARG A 96 11.341 11.559 -0.398 1.00 71.34 H new ATOM 0 HB2 ARG A 96 10.762 11.970 -3.355 1.00 11.01 H new ATOM 0 HB3 ARG A 96 11.408 13.204 -2.291 1.00 11.01 H new ATOM 0 HG2 ARG A 96 12.751 10.573 -3.011 1.00 55.51 H new ATOM 0 HG3 ARG A 96 13.202 12.163 -3.594 1.00 55.51 H new ATOM 0 HD2 ARG A 96 13.694 12.879 -1.264 1.00 20.44 H new ATOM 0 HD3 ARG A 96 13.242 11.290 -0.679 1.00 20.44 H new ATOM 0 HE ARG A 96 15.482 11.569 -2.638 1.00 43.41 H new ATOM 0 HH11 ARG A 96 14.162 10.450 0.436 1.00 33.23 H new ATOM 0 HH12 ARG A 96 15.678 9.707 0.958 1.00 33.23 H new ATOM 0 HH21 ARG A 96 17.454 10.654 -1.939 1.00 31.33 H new ATOM 0 HH22 ARG A 96 17.536 9.822 -0.382 1.00 31.33 H new ATOM 1513 N THR A 97 9.395 13.415 -0.697 1.00 40.23 N ATOM 1514 CA THR A 97 8.195 14.181 -0.405 1.00 51.55 C ATOM 1515 C THR A 97 7.251 14.200 -1.614 1.00 22.14 C ATOM 1516 O THR A 97 7.498 14.902 -2.599 1.00 34.33 O ATOM 1517 CB THR A 97 8.563 15.625 -0.023 1.00 11.01 C ATOM 1518 OG1 THR A 97 9.620 15.605 0.946 1.00 25.33 O ATOM 1519 CG2 THR A 97 7.363 16.353 0.558 1.00 52.51 C ATOM 0 H THR A 97 10.256 13.962 -0.669 1.00 40.23 H new ATOM 0 HA THR A 97 7.687 13.702 0.432 1.00 51.55 H new ATOM 0 HB THR A 97 8.887 16.150 -0.921 1.00 11.01 H new ATOM 0 HG1 THR A 97 9.346 15.068 1.718 1.00 25.33 H new ATOM 0 HG21 THR A 97 7.648 17.372 0.821 1.00 52.51 H new ATOM 0 HG22 THR A 97 6.561 16.379 -0.180 1.00 52.51 H new ATOM 0 HG23 THR A 97 7.018 15.831 1.451 1.00 52.51 H new ATOM 1527 N GLY A 98 6.191 13.412 -1.540 1.00 62.22 N ATOM 1528 CA GLY A 98 5.240 13.339 -2.625 1.00 4.22 C ATOM 1529 C GLY A 98 5.648 12.323 -3.666 1.00 50.13 C ATOM 1530 O GLY A 98 5.481 12.544 -4.865 1.00 13.24 O ATOM 0 H GLY A 98 5.972 12.818 -0.741 1.00 62.22 H new ATOM 0 HA2 GLY A 98 4.258 13.079 -2.230 1.00 4.22 H new ATOM 0 HA3 GLY A 98 5.146 14.319 -3.092 1.00 4.22 H new ATOM 1534 N GLU A 99 6.191 11.209 -3.213 1.00 23.43 N ATOM 1535 CA GLU A 99 6.640 10.163 -4.113 1.00 24.21 C ATOM 1536 C GLU A 99 5.901 8.859 -3.826 1.00 73.51 C ATOM 1537 O GLU A 99 5.566 8.563 -2.671 1.00 3.24 O ATOM 1538 CB GLU A 99 8.148 9.962 -3.971 1.00 1.02 C ATOM 1539 CG GLU A 99 8.767 9.100 -5.056 1.00 75.03 C ATOM 1540 CD GLU A 99 8.560 9.680 -6.434 1.00 45.31 C ATOM 1541 OE1 GLU A 99 7.773 9.115 -7.207 1.00 45.33 O ATOM 1542 OE2 GLU A 99 9.170 10.716 -6.743 1.00 72.34 O ATOM 0 H GLU A 99 6.332 11.004 -2.224 1.00 23.43 H new ATOM 0 HA GLU A 99 6.420 10.464 -5.137 1.00 24.21 H new ATOM 0 HB2 GLU A 99 8.635 10.937 -3.976 1.00 1.02 H new ATOM 0 HB3 GLU A 99 8.353 9.508 -3.001 1.00 1.02 H new ATOM 0 HG2 GLU A 99 9.835 8.992 -4.866 1.00 75.03 H new ATOM 0 HG3 GLU A 99 8.333 8.101 -5.015 1.00 75.03 H new ATOM 1549 N MET A 100 5.649 8.090 -4.869 1.00 61.43 N ATOM 1550 CA MET A 100 4.938 6.835 -4.736 1.00 53.02 C ATOM 1551 C MET A 100 5.844 5.664 -5.084 1.00 62.03 C ATOM 1552 O MET A 100 6.568 5.700 -6.084 1.00 35.20 O ATOM 1553 CB MET A 100 3.709 6.821 -5.647 1.00 42.20 C ATOM 1554 CG MET A 100 2.819 5.600 -5.463 1.00 33.52 C ATOM 1555 SD MET A 100 1.504 5.511 -6.692 1.00 14.12 S ATOM 1556 CE MET A 100 2.461 5.250 -8.185 1.00 51.20 C ATOM 0 H MET A 100 5.929 8.316 -5.823 1.00 61.43 H new ATOM 0 HA MET A 100 4.617 6.736 -3.699 1.00 53.02 H new ATOM 0 HB2 MET A 100 3.120 7.719 -5.460 1.00 42.20 H new ATOM 0 HB3 MET A 100 4.038 6.866 -6.685 1.00 42.20 H new ATOM 0 HG2 MET A 100 3.428 4.698 -5.522 1.00 33.52 H new ATOM 0 HG3 MET A 100 2.379 5.622 -4.466 1.00 33.52 H new ATOM 0 HE1 MET A 100 1.793 4.980 -9.003 1.00 51.20 H new ATOM 0 HE2 MET A 100 2.995 6.166 -8.440 1.00 51.20 H new ATOM 0 HE3 MET A 100 3.178 4.445 -8.022 1.00 51.20 H new ATOM 1566 N SER A 101 5.806 4.642 -4.259 1.00 1.43 N ATOM 1567 CA SER A 101 6.590 3.446 -4.478 1.00 21.13 C ATOM 1568 C SER A 101 5.843 2.501 -5.405 1.00 42.13 C ATOM 1569 O SER A 101 4.615 2.575 -5.521 1.00 61.35 O ATOM 1570 CB SER A 101 6.877 2.745 -3.139 1.00 1.02 C ATOM 1571 OG SER A 101 7.668 1.580 -3.319 1.00 31.34 O ATOM 0 H SER A 101 5.231 4.616 -3.417 1.00 1.43 H new ATOM 0 HA SER A 101 7.537 3.726 -4.939 1.00 21.13 H new ATOM 0 HB2 SER A 101 7.391 3.435 -2.469 1.00 1.02 H new ATOM 0 HB3 SER A 101 5.936 2.476 -2.659 1.00 1.02 H new ATOM 0 HG SER A 101 7.834 1.159 -2.449 1.00 31.34 H new ATOM 1577 N GLY A 102 6.582 1.627 -6.065 1.00 30.22 N ATOM 1578 CA GLY A 102 5.972 0.654 -6.935 1.00 4.43 C ATOM 1579 C GLY A 102 5.374 -0.500 -6.154 1.00 3.33 C ATOM 1580 O GLY A 102 5.172 -0.391 -4.941 1.00 31.13 O ATOM 0 H GLY A 102 7.599 1.576 -6.012 1.00 30.22 H new ATOM 0 HA2 GLY A 102 5.194 1.134 -7.528 1.00 4.43 H new ATOM 0 HA3 GLY A 102 6.717 0.273 -7.634 1.00 4.43 H new ATOM 1584 N PRO A 103 5.092 -1.624 -6.817 1.00 71.02 N ATOM 1585 CA PRO A 103 4.494 -2.784 -6.167 1.00 71.32 C ATOM 1586 C PRO A 103 5.431 -3.450 -5.153 1.00 71.24 C ATOM 1587 O PRO A 103 6.435 -4.069 -5.522 1.00 41.11 O ATOM 1588 CB PRO A 103 4.194 -3.740 -7.330 1.00 20.21 C ATOM 1589 CG PRO A 103 5.131 -3.330 -8.414 1.00 34.31 C ATOM 1590 CD PRO A 103 5.332 -1.851 -8.254 1.00 14.02 C ATOM 0 HA PRO A 103 3.613 -2.505 -5.589 1.00 71.32 H new ATOM 0 HB2 PRO A 103 4.355 -4.778 -7.040 1.00 20.21 H new ATOM 0 HB3 PRO A 103 3.156 -3.657 -7.652 1.00 20.21 H new ATOM 0 HG2 PRO A 103 6.078 -3.863 -8.332 1.00 34.31 H new ATOM 0 HG3 PRO A 103 4.718 -3.563 -9.395 1.00 34.31 H new ATOM 0 HD2 PRO A 103 6.338 -1.549 -8.545 1.00 14.02 H new ATOM 0 HD3 PRO A 103 4.637 -1.282 -8.872 1.00 14.02 H new ATOM 1598 N VAL A 104 5.108 -3.305 -3.878 1.00 44.44 N ATOM 1599 CA VAL A 104 5.869 -3.945 -2.822 1.00 20.51 C ATOM 1600 C VAL A 104 5.195 -5.258 -2.450 1.00 4.33 C ATOM 1601 O VAL A 104 4.135 -5.270 -1.812 1.00 22.32 O ATOM 1602 CB VAL A 104 5.979 -3.042 -1.568 1.00 50.31 C ATOM 1603 CG1 VAL A 104 6.786 -3.727 -0.473 1.00 1.04 C ATOM 1604 CG2 VAL A 104 6.602 -1.700 -1.930 1.00 52.41 C ATOM 0 H VAL A 104 4.320 -2.747 -3.550 1.00 44.44 H new ATOM 0 HA VAL A 104 6.879 -4.127 -3.189 1.00 20.51 H new ATOM 0 HB VAL A 104 4.973 -2.866 -1.188 1.00 50.31 H new ATOM 0 HG11 VAL A 104 6.849 -3.073 0.396 1.00 1.04 H new ATOM 0 HG12 VAL A 104 6.298 -4.660 -0.191 1.00 1.04 H new ATOM 0 HG13 VAL A 104 7.790 -3.940 -0.840 1.00 1.04 H new ATOM 0 HG21 VAL A 104 6.672 -1.079 -1.037 1.00 52.41 H new ATOM 0 HG22 VAL A 104 7.600 -1.860 -2.339 1.00 52.41 H new ATOM 0 HG23 VAL A 104 5.981 -1.199 -2.673 1.00 52.41 H new ATOM 1614 N PHE A 105 5.796 -6.353 -2.868 1.00 4.45 N ATOM 1615 CA PHE A 105 5.229 -7.675 -2.659 1.00 64.31 C ATOM 1616 C PHE A 105 5.516 -8.195 -1.260 1.00 62.42 C ATOM 1617 O PHE A 105 6.656 -8.159 -0.790 1.00 50.12 O ATOM 1618 CB PHE A 105 5.770 -8.654 -3.703 1.00 23.41 C ATOM 1619 CG PHE A 105 5.538 -8.211 -5.121 1.00 21.53 C ATOM 1620 CD1 PHE A 105 6.502 -7.484 -5.799 1.00 31.24 C ATOM 1621 CD2 PHE A 105 4.359 -8.521 -5.772 1.00 1.13 C ATOM 1622 CE1 PHE A 105 6.293 -7.074 -7.101 1.00 62.40 C ATOM 1623 CE2 PHE A 105 4.143 -8.113 -7.075 1.00 71.05 C ATOM 1624 CZ PHE A 105 5.112 -7.389 -7.739 1.00 11.22 C ATOM 0 H PHE A 105 6.689 -6.355 -3.361 1.00 4.45 H new ATOM 0 HA PHE A 105 4.148 -7.591 -2.768 1.00 64.31 H new ATOM 0 HB2 PHE A 105 6.840 -8.788 -3.543 1.00 23.41 H new ATOM 0 HB3 PHE A 105 5.301 -9.627 -3.554 1.00 23.41 H new ATOM 0 HD1 PHE A 105 7.429 -7.235 -5.303 1.00 31.24 H new ATOM 0 HD2 PHE A 105 3.598 -9.088 -5.257 1.00 1.13 H new ATOM 0 HE1 PHE A 105 7.053 -6.508 -7.619 1.00 62.40 H new ATOM 0 HE2 PHE A 105 3.217 -8.361 -7.573 1.00 71.05 H new ATOM 0 HZ PHE A 105 4.946 -7.069 -8.757 1.00 11.22 H new ATOM 1634 N THR A 106 4.479 -8.675 -0.603 1.00 41.14 N ATOM 1635 CA THR A 106 4.591 -9.234 0.730 1.00 21.33 C ATOM 1636 C THR A 106 3.772 -10.521 0.819 1.00 62.30 C ATOM 1637 O THR A 106 3.362 -11.070 -0.208 1.00 74.43 O ATOM 1638 CB THR A 106 4.094 -8.239 1.802 1.00 43.34 C ATOM 1639 OG1 THR A 106 2.771 -7.808 1.479 1.00 42.31 O ATOM 1640 CG2 THR A 106 5.018 -7.030 1.904 1.00 23.05 C ATOM 0 H THR A 106 3.531 -8.688 -0.980 1.00 41.14 H new ATOM 0 HA THR A 106 5.644 -9.445 0.918 1.00 21.33 H new ATOM 0 HB THR A 106 4.092 -8.748 2.766 1.00 43.34 H new ATOM 0 HG1 THR A 106 2.452 -8.293 0.689 1.00 42.31 H new ATOM 0 HG21 THR A 106 4.642 -6.348 2.667 1.00 23.05 H new ATOM 0 HG22 THR A 106 6.021 -7.360 2.175 1.00 23.05 H new ATOM 0 HG23 THR A 106 5.053 -6.516 0.943 1.00 23.05 H new ATOM 1648 N ASP A 107 3.534 -10.994 2.030 1.00 50.40 N ATOM 1649 CA ASP A 107 2.772 -12.222 2.237 1.00 44.42 C ATOM 1650 C ASP A 107 1.297 -11.999 1.955 1.00 52.42 C ATOM 1651 O ASP A 107 0.700 -12.688 1.121 1.00 43.23 O ATOM 1652 CB ASP A 107 2.943 -12.732 3.671 1.00 24.00 C ATOM 1653 CG ASP A 107 4.387 -12.960 4.045 1.00 63.22 C ATOM 1654 OD1 ASP A 107 4.905 -14.067 3.790 1.00 14.24 O ATOM 1655 OD2 ASP A 107 5.012 -12.032 4.606 1.00 21.03 O ATOM 0 H ASP A 107 3.856 -10.548 2.889 1.00 50.40 H new ATOM 0 HA ASP A 107 3.157 -12.969 1.543 1.00 44.42 H new ATOM 0 HB2 ASP A 107 2.503 -12.013 4.362 1.00 24.00 H new ATOM 0 HB3 ASP A 107 2.391 -13.665 3.788 1.00 24.00 H new ATOM 1660 N SER A 108 0.715 -11.026 2.644 1.00 53.44 N ATOM 1661 CA SER A 108 -0.701 -10.716 2.506 1.00 52.50 C ATOM 1662 C SER A 108 -1.044 -10.275 1.085 1.00 63.13 C ATOM 1663 O SER A 108 -2.112 -10.602 0.566 1.00 32.35 O ATOM 1664 CB SER A 108 -1.099 -9.633 3.508 1.00 32.03 C ATOM 1665 OG SER A 108 -0.757 -10.020 4.831 1.00 42.33 O ATOM 0 H SER A 108 1.209 -10.433 3.311 1.00 53.44 H new ATOM 0 HA SER A 108 -1.266 -11.625 2.715 1.00 52.50 H new ATOM 0 HB2 SER A 108 -0.599 -8.698 3.257 1.00 32.03 H new ATOM 0 HB3 SER A 108 -2.171 -9.448 3.444 1.00 32.03 H new ATOM 0 HG SER A 108 -1.018 -9.313 5.457 1.00 42.33 H new ATOM 1671 N GLY A 109 -0.135 -9.552 0.457 1.00 65.04 N ATOM 1672 CA GLY A 109 -0.375 -9.089 -0.886 1.00 61.41 C ATOM 1673 C GLY A 109 0.622 -8.052 -1.320 1.00 33.03 C ATOM 1674 O GLY A 109 1.800 -8.125 -0.964 1.00 55.32 O ATOM 0 H GLY A 109 0.764 -9.278 0.854 1.00 65.04 H new ATOM 0 HA2 GLY A 109 -0.337 -9.935 -1.572 1.00 61.41 H new ATOM 0 HA3 GLY A 109 -1.380 -8.672 -0.950 1.00 61.41 H new ATOM 1678 N ILE A 110 0.160 -7.080 -2.071 1.00 11.40 N ATOM 1679 CA ILE A 110 1.023 -6.034 -2.578 1.00 52.44 C ATOM 1680 C ILE A 110 0.686 -4.705 -1.909 1.00 31.32 C ATOM 1681 O ILE A 110 -0.482 -4.418 -1.630 1.00 2.12 O ATOM 1682 CB ILE A 110 0.894 -5.901 -4.112 1.00 75.32 C ATOM 1683 CG1 ILE A 110 1.005 -7.281 -4.770 1.00 72.22 C ATOM 1684 CG2 ILE A 110 1.969 -4.969 -4.654 1.00 71.33 C ATOM 1685 CD1 ILE A 110 0.759 -7.273 -6.261 1.00 74.11 C ATOM 0 H ILE A 110 -0.818 -6.990 -2.348 1.00 11.40 H new ATOM 0 HA ILE A 110 2.053 -6.303 -2.345 1.00 52.44 H new ATOM 0 HB ILE A 110 -0.082 -5.477 -4.347 1.00 75.32 H new ATOM 0 HG12 ILE A 110 1.999 -7.685 -4.578 1.00 72.22 H new ATOM 0 HG13 ILE A 110 0.291 -7.956 -4.298 1.00 72.22 H new ATOM 0 HG21 ILE A 110 1.866 -4.885 -5.736 1.00 71.33 H new ATOM 0 HG22 ILE A 110 1.858 -3.984 -4.201 1.00 71.33 H new ATOM 0 HG23 ILE A 110 2.953 -5.370 -4.414 1.00 71.33 H new ATOM 0 HD11 ILE A 110 0.856 -8.286 -6.651 1.00 74.11 H new ATOM 0 HD12 ILE A 110 -0.246 -6.901 -6.462 1.00 74.11 H new ATOM 0 HD13 ILE A 110 1.489 -6.626 -6.747 1.00 74.11 H new ATOM 1697 N HIS A 111 1.710 -3.912 -1.624 1.00 43.42 N ATOM 1698 CA HIS A 111 1.524 -2.632 -0.955 1.00 33.54 C ATOM 1699 C HIS A 111 1.990 -1.478 -1.836 1.00 71.24 C ATOM 1700 O HIS A 111 3.100 -1.507 -2.367 1.00 43.15 O ATOM 1701 CB HIS A 111 2.319 -2.582 0.372 1.00 55.33 C ATOM 1702 CG HIS A 111 1.956 -3.632 1.386 1.00 71.35 C ATOM 1703 ND1 HIS A 111 1.595 -3.336 2.684 1.00 23.23 N ATOM 1704 CD2 HIS A 111 1.946 -4.979 1.301 1.00 22.13 C ATOM 1705 CE1 HIS A 111 1.382 -4.458 3.349 1.00 3.41 C ATOM 1706 NE2 HIS A 111 1.588 -5.467 2.534 1.00 74.54 N ATOM 0 H HIS A 111 2.680 -4.134 -1.846 1.00 43.42 H new ATOM 0 HA HIS A 111 0.458 -2.531 -0.753 1.00 33.54 H new ATOM 0 HB2 HIS A 111 3.381 -2.675 0.143 1.00 55.33 H new ATOM 0 HB3 HIS A 111 2.176 -1.601 0.824 1.00 55.33 H new ATOM 0 HD2 HIS A 111 2.177 -5.566 0.424 1.00 22.13 H new ATOM 0 HE1 HIS A 111 1.089 -4.532 4.386 1.00 3.41 H new ATOM 0 HE2 HIS A 111 1.497 -6.453 2.777 1.00 74.54 H new ATOM 1715 N ILE A 112 1.134 -0.486 -2.006 1.00 11.43 N ATOM 1716 CA ILE A 112 1.511 0.745 -2.693 1.00 23.05 C ATOM 1717 C ILE A 112 1.791 1.795 -1.636 1.00 53.44 C ATOM 1718 O ILE A 112 0.975 1.995 -0.739 1.00 71.21 O ATOM 1719 CB ILE A 112 0.395 1.267 -3.630 1.00 44.32 C ATOM 1720 CG1 ILE A 112 0.011 0.206 -4.660 1.00 54.24 C ATOM 1721 CG2 ILE A 112 0.840 2.550 -4.328 1.00 60.44 C ATOM 1722 CD1 ILE A 112 -1.094 0.643 -5.605 1.00 2.33 C ATOM 0 H ILE A 112 0.168 -0.506 -1.678 1.00 11.43 H new ATOM 0 HA ILE A 112 2.385 0.540 -3.312 1.00 23.05 H new ATOM 0 HB ILE A 112 -0.483 1.488 -3.023 1.00 44.32 H new ATOM 0 HG12 ILE A 112 0.893 -0.057 -5.244 1.00 54.24 H new ATOM 0 HG13 ILE A 112 -0.306 -0.697 -4.138 1.00 54.24 H new ATOM 0 HG21 ILE A 112 0.043 2.903 -4.983 1.00 60.44 H new ATOM 0 HG22 ILE A 112 1.061 3.313 -3.581 1.00 60.44 H new ATOM 0 HG23 ILE A 112 1.734 2.351 -4.919 1.00 60.44 H new ATOM 0 HD11 ILE A 112 -1.312 -0.162 -6.307 1.00 2.33 H new ATOM 0 HD12 ILE A 112 -1.991 0.878 -5.032 1.00 2.33 H new ATOM 0 HD13 ILE A 112 -0.773 1.527 -6.155 1.00 2.33 H new ATOM 1734 N ILE A 113 2.928 2.448 -1.721 1.00 70.42 N ATOM 1735 CA ILE A 113 3.308 3.412 -0.702 1.00 1.51 C ATOM 1736 C ILE A 113 3.352 4.826 -1.257 1.00 2.13 C ATOM 1737 O ILE A 113 4.068 5.102 -2.217 1.00 4.00 O ATOM 1738 CB ILE A 113 4.690 3.069 -0.102 1.00 0.33 C ATOM 1739 CG1 ILE A 113 4.744 1.590 0.289 1.00 34.13 C ATOM 1740 CG2 ILE A 113 4.979 3.954 1.108 1.00 41.50 C ATOM 1741 CD1 ILE A 113 6.106 1.132 0.750 1.00 4.42 C ATOM 0 H ILE A 113 3.604 2.334 -2.477 1.00 70.42 H new ATOM 0 HA ILE A 113 2.547 3.360 0.077 1.00 1.51 H new ATOM 0 HB ILE A 113 5.455 3.257 -0.855 1.00 0.33 H new ATOM 0 HG12 ILE A 113 4.021 1.407 1.084 1.00 34.13 H new ATOM 0 HG13 ILE A 113 4.438 0.986 -0.565 1.00 34.13 H new ATOM 0 HG21 ILE A 113 5.956 3.700 1.519 1.00 41.50 H new ATOM 0 HG22 ILE A 113 4.974 5.000 0.803 1.00 41.50 H new ATOM 0 HG23 ILE A 113 4.213 3.794 1.867 1.00 41.50 H new ATOM 0 HD11 ILE A 113 6.066 0.074 1.010 1.00 4.42 H new ATOM 0 HD12 ILE A 113 6.830 1.282 -0.051 1.00 4.42 H new ATOM 0 HD13 ILE A 113 6.407 1.709 1.624 1.00 4.42 H new ATOM 1753 N LEU A 114 2.581 5.711 -0.658 1.00 30.43 N ATOM 1754 CA LEU A 114 2.577 7.109 -1.038 1.00 73.35 C ATOM 1755 C LEU A 114 3.152 7.919 0.116 1.00 50.41 C ATOM 1756 O LEU A 114 2.520 8.045 1.165 1.00 44.11 O ATOM 1757 CB LEU A 114 1.133 7.570 -1.355 1.00 23.25 C ATOM 1758 CG LEU A 114 0.965 8.868 -2.188 1.00 32.41 C ATOM 1759 CD1 LEU A 114 1.548 10.083 -1.482 1.00 71.13 C ATOM 1760 CD2 LEU A 114 1.581 8.705 -3.566 1.00 74.32 C ATOM 0 H LEU A 114 1.942 5.482 0.103 1.00 30.43 H new ATOM 0 HA LEU A 114 3.182 7.257 -1.932 1.00 73.35 H new ATOM 0 HB2 LEU A 114 0.630 6.762 -1.886 1.00 23.25 H new ATOM 0 HB3 LEU A 114 0.608 7.706 -0.410 1.00 23.25 H new ATOM 0 HG LEU A 114 -0.105 9.041 -2.299 1.00 32.41 H new ATOM 0 HD11 LEU A 114 1.407 10.967 -2.103 1.00 71.13 H new ATOM 0 HD12 LEU A 114 1.043 10.226 -0.527 1.00 71.13 H new ATOM 0 HD13 LEU A 114 2.613 9.927 -1.309 1.00 71.13 H new ATOM 0 HD21 LEU A 114 1.452 9.627 -4.134 1.00 74.32 H new ATOM 0 HD22 LEU A 114 2.644 8.486 -3.466 1.00 74.32 H new ATOM 0 HD23 LEU A 114 1.090 7.885 -4.089 1.00 74.32 H new ATOM 1772 N ARG A 115 4.344 8.448 -0.069 1.00 52.11 N ATOM 1773 CA ARG A 115 4.995 9.228 0.972 1.00 34.55 C ATOM 1774 C ARG A 115 4.688 10.703 0.795 1.00 61.53 C ATOM 1775 O ARG A 115 5.009 11.290 -0.234 1.00 54.40 O ATOM 1776 CB ARG A 115 6.506 8.985 0.956 1.00 12.40 C ATOM 1777 CG ARG A 115 7.280 9.826 1.959 1.00 3.23 C ATOM 1778 CD ARG A 115 8.758 9.487 1.935 1.00 54.21 C ATOM 1779 NE ARG A 115 9.550 10.424 2.723 1.00 13.21 N ATOM 1780 CZ ARG A 115 10.851 10.287 2.977 1.00 3.54 C ATOM 1781 NH1 ARG A 115 11.492 9.183 2.624 1.00 52.35 N ATOM 1782 NH2 ARG A 115 11.507 11.242 3.612 1.00 33.03 N ATOM 0 H ARG A 115 4.884 8.354 -0.929 1.00 52.11 H new ATOM 0 HA ARG A 115 4.608 8.910 1.940 1.00 34.55 H new ATOM 0 HB2 ARG A 115 6.696 7.931 1.158 1.00 12.40 H new ATOM 0 HB3 ARG A 115 6.886 9.191 -0.045 1.00 12.40 H new ATOM 0 HG2 ARG A 115 7.143 10.884 1.733 1.00 3.23 H new ATOM 0 HG3 ARG A 115 6.882 9.660 2.960 1.00 3.23 H new ATOM 0 HD2 ARG A 115 8.904 8.477 2.319 1.00 54.21 H new ATOM 0 HD3 ARG A 115 9.113 9.490 0.905 1.00 54.21 H new ATOM 0 HE ARG A 115 9.075 11.241 3.107 1.00 13.21 H new ATOM 0 HH11 ARG A 115 10.990 8.430 2.154 1.00 52.35 H new ATOM 0 HH12 ARG A 115 12.488 9.086 2.822 1.00 52.35 H new ATOM 0 HH21 ARG A 115 11.018 12.086 3.909 1.00 33.03 H new ATOM 0 HH22 ARG A 115 12.503 11.135 3.805 1.00 33.03 H new ATOM 1796 N THR A 116 4.063 11.292 1.794 1.00 35.22 N ATOM 1797 CA THR A 116 3.679 12.685 1.735 1.00 64.53 C ATOM 1798 C THR A 116 4.732 13.591 2.374 1.00 32.41 C ATOM 1799 O THR A 116 4.937 14.720 1.934 1.00 43.41 O ATOM 1800 CB THR A 116 2.322 12.901 2.423 1.00 10.30 C ATOM 1801 OG1 THR A 116 2.282 12.164 3.658 1.00 2.44 O ATOM 1802 CG2 THR A 116 1.184 12.443 1.522 1.00 53.43 C ATOM 0 H THR A 116 3.809 10.822 2.663 1.00 35.22 H new ATOM 0 HA THR A 116 3.596 12.952 0.682 1.00 64.53 H new ATOM 0 HB THR A 116 2.202 13.965 2.625 1.00 10.30 H new ATOM 0 HG1 THR A 116 1.416 12.305 4.095 1.00 2.44 H new ATOM 0 HG21 THR A 116 0.232 12.604 2.028 1.00 53.43 H new ATOM 0 HG22 THR A 116 1.203 13.013 0.593 1.00 53.43 H new ATOM 0 HG23 THR A 116 1.301 11.383 1.299 1.00 53.43 H new ATOM 1810 N GLU A 117 5.395 13.089 3.403 1.00 23.12 N ATOM 1811 CA GLU A 117 6.419 13.856 4.101 1.00 74.24 C ATOM 1812 C GLU A 117 7.805 13.509 3.591 1.00 41.03 C ATOM 1813 O GLU A 117 8.266 12.389 3.852 1.00 0.00 O ATOM 1814 CB GLU A 117 6.347 13.617 5.605 1.00 43.13 C ATOM 1815 CG GLU A 117 5.130 14.226 6.275 1.00 51.02 C ATOM 1816 CD GLU A 117 5.104 15.733 6.171 1.00 31.33 C ATOM 1817 OE1 GLU A 117 6.110 16.381 6.551 1.00 51.54 O ATOM 1818 OE2 GLU A 117 4.071 16.284 5.733 1.00 62.13 O ATOM 1819 OXT GLU A 117 8.437 14.373 2.951 1.00 0.00 O ATOM 0 H GLU A 117 5.243 12.152 3.776 1.00 23.12 H new ATOM 0 HA GLU A 117 6.230 14.911 3.903 1.00 74.24 H new ATOM 0 HB2 GLU A 117 6.351 12.543 5.791 1.00 43.13 H new ATOM 0 HB3 GLU A 117 7.245 14.024 6.069 1.00 43.13 H new ATOM 0 HG2 GLU A 117 4.227 13.818 5.820 1.00 51.02 H new ATOM 0 HG3 GLU A 117 5.116 13.938 7.326 1.00 51.02 H new TER 1826 GLU A 117