USER MOD reduce.3.24.130724 H: found=0, std=0, add=917, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 914 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 1 MET N :NH3+ 156:sc= -3.1! (180deg=-4.13!) USER MOD Set 1.2: A 34 THR OG1 : rot 180:sc= -0.499 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl -115:sc= -0.989 (180deg=-4.81!) USER MOD Single : A 10 ASN : amide:sc= -1.57! C(o=-1.6!,f=-5.4!) USER MOD Single : A 11 CYS SG : rot -73:sc= 0.228 USER MOD Single : A 16 ASN : amide:sc= -0.369 X(o=-0.37,f=-0.26) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -110:sc= -0.139 (180deg=-1.01) USER MOD Single : A 23 THR OG1 : rot 62:sc= 0.961 USER MOD Single : A 25 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000314) USER MOD Single : A 30 LYS NZ :NH3+ -114:sc= -0.922 (180deg=-3.01!) USER MOD Single : A 33 ASN : amide:sc= -0.0976 K(o=-0.098,f=-0.73) USER MOD Single : A 35 LYS NZ :NH3+ -155:sc= -0.316 (180deg=-1.75!) USER MOD Single : A 40 LYS NZ :NH3+ 172:sc= -0.763 (180deg=-0.877) USER MOD Single : A 43 LYS NZ :NH3+ -165:sc=-0.00378 (180deg=-0.27) USER MOD Single : A 45 ASN : amide:sc= 0.891 K(o=0.89,f=-5.4!) USER MOD Single : A 56 ASN : amide:sc= -0.178 K(o=-0.18,f=-1.8) USER MOD Single : A 58 CYS SG : rot 180:sc= -1.23 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -1.87 K(o=-1.9,f=-4.7!) USER MOD Single : A 75 CYS SG : rot 160:sc=-0.00367 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -170:sc= -0.491 USER MOD Single : A 87 TYR OH : rot 30:sc= -2.21! USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 140:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 167:sc=-0.00249 (180deg=-0.158) USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.391 USER MOD Single : A 109 HIS : no HD1:sc= -0.678 K(o=-0.68,f=-1.2) USER MOD Single : A 111 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.730 1.398 0.799 1.00 52.23 N ATOM 2 CA MET A 1 1.445 1.262 -0.465 1.00 30.42 C ATOM 3 C MET A 1 2.530 0.194 -0.363 1.00 0.42 C ATOM 4 O MET A 1 3.457 0.313 0.438 1.00 32.01 O ATOM 5 CB MET A 1 2.066 2.600 -0.871 1.00 71.52 C ATOM 6 CG MET A 1 2.774 3.312 0.269 1.00 1.25 C ATOM 7 SD MET A 1 3.387 4.941 -0.203 1.00 33.11 S ATOM 8 CE MET A 1 4.277 5.411 1.279 1.00 73.32 C ATOM 0 H1 MET A 1 0.307 2.346 0.858 1.00 52.23 H new ATOM 0 H2 MET A 1 -0.021 0.680 0.852 1.00 52.23 H new ATOM 0 H3 MET A 1 1.393 1.265 1.589 1.00 52.23 H new ATOM 0 HA MET A 1 0.729 0.956 -1.228 1.00 30.42 H new ATOM 0 HB2 MET A 1 2.777 2.431 -1.680 1.00 71.52 H new ATOM 0 HB3 MET A 1 1.284 3.250 -1.264 1.00 71.52 H new ATOM 0 HG2 MET A 1 2.088 3.416 1.109 1.00 1.25 H new ATOM 0 HG3 MET A 1 3.608 2.700 0.612 1.00 1.25 H new ATOM 0 HE1 MET A 1 4.715 6.400 1.142 1.00 73.32 H new ATOM 0 HE2 MET A 1 3.590 5.432 2.125 1.00 73.32 H new ATOM 0 HE3 MET A 1 5.069 4.687 1.473 1.00 73.32 H new ATOM 18 N ALA A 2 2.408 -0.847 -1.179 1.00 33.52 N ATOM 19 CA ALA A 2 3.379 -1.934 -1.181 1.00 20.31 C ATOM 20 C ALA A 2 3.333 -2.714 0.129 1.00 73.55 C ATOM 21 O ALA A 2 3.419 -2.135 1.211 1.00 54.30 O ATOM 22 CB ALA A 2 4.779 -1.390 -1.424 1.00 60.53 C ATOM 0 H ALA A 2 1.646 -0.961 -1.848 1.00 33.52 H new ATOM 0 HA ALA A 2 3.121 -2.617 -1.990 1.00 20.31 H new ATOM 0 HB1 ALA A 2 5.494 -2.213 -1.423 1.00 60.53 H new ATOM 0 HB2 ALA A 2 4.810 -0.883 -2.389 1.00 60.53 H new ATOM 0 HB3 ALA A 2 5.037 -0.684 -0.635 1.00 60.53 H new ATOM 28 N SER A 3 3.196 -4.032 0.022 1.00 32.33 N ATOM 29 CA SER A 3 3.133 -4.892 1.199 1.00 45.32 C ATOM 30 C SER A 3 1.898 -4.577 2.037 1.00 50.24 C ATOM 31 O SER A 3 1.321 -3.495 1.931 1.00 64.22 O ATOM 32 CB SER A 3 4.395 -4.723 2.047 1.00 24.10 C ATOM 33 OG SER A 3 5.068 -5.959 2.212 1.00 60.40 O ATOM 0 H SER A 3 3.127 -4.528 -0.867 1.00 32.33 H new ATOM 0 HA SER A 3 3.066 -5.926 0.860 1.00 45.32 H new ATOM 0 HB2 SER A 3 5.062 -4.003 1.573 1.00 24.10 H new ATOM 0 HB3 SER A 3 4.129 -4.317 3.023 1.00 24.10 H new ATOM 0 HG SER A 3 5.872 -5.824 2.756 1.00 60.40 H new ATOM 39 N GLY A 4 1.497 -5.532 2.870 1.00 12.35 N ATOM 40 CA GLY A 4 0.332 -5.338 3.715 1.00 64.32 C ATOM 41 C GLY A 4 -0.868 -4.832 2.940 1.00 42.31 C ATOM 42 O GLY A 4 -1.526 -3.878 3.355 1.00 24.24 O ATOM 0 H GLY A 4 1.957 -6.436 2.975 1.00 12.35 H new ATOM 0 HA2 GLY A 4 0.077 -6.281 4.199 1.00 64.32 H new ATOM 0 HA3 GLY A 4 0.575 -4.629 4.506 1.00 64.32 H new ATOM 46 N MET A 5 -1.153 -5.470 1.810 1.00 42.14 N ATOM 47 CA MET A 5 -2.282 -5.077 0.975 1.00 71.34 C ATOM 48 C MET A 5 -3.559 -4.972 1.802 1.00 74.31 C ATOM 49 O MET A 5 -3.794 -5.775 2.704 1.00 22.21 O ATOM 50 CB MET A 5 -2.478 -6.083 -0.162 1.00 22.14 C ATOM 51 CG MET A 5 -1.197 -6.407 -0.914 1.00 12.03 C ATOM 52 SD MET A 5 -0.554 -8.044 -0.518 1.00 32.24 S ATOM 53 CE MET A 5 1.089 -7.631 0.063 1.00 62.33 C ATOM 0 H MET A 5 -0.618 -6.261 1.451 1.00 42.14 H new ATOM 0 HA MET A 5 -2.064 -4.097 0.550 1.00 71.34 H new ATOM 0 HB2 MET A 5 -2.893 -7.004 0.247 1.00 22.14 H new ATOM 0 HB3 MET A 5 -3.212 -5.687 -0.864 1.00 22.14 H new ATOM 0 HG2 MET A 5 -1.384 -6.344 -1.986 1.00 12.03 H new ATOM 0 HG3 MET A 5 -0.442 -5.657 -0.677 1.00 12.03 H new ATOM 0 HE1 MET A 5 1.831 -8.049 -0.617 1.00 62.33 H new ATOM 0 HE2 MET A 5 1.200 -6.547 0.100 1.00 62.33 H new ATOM 0 HE3 MET A 5 1.237 -8.045 1.060 1.00 62.33 H new ATOM 63 N GLY A 6 -4.382 -3.976 1.488 1.00 34.13 N ATOM 64 CA GLY A 6 -5.625 -3.785 2.213 1.00 52.33 C ATOM 65 C GLY A 6 -6.839 -4.177 1.395 1.00 75.52 C ATOM 66 O GLY A 6 -7.338 -3.389 0.592 1.00 42.34 O ATOM 0 H GLY A 6 -4.210 -3.298 0.745 1.00 34.13 H new ATOM 0 HA2 GLY A 6 -5.602 -4.375 3.129 1.00 52.33 H new ATOM 0 HA3 GLY A 6 -5.712 -2.740 2.509 1.00 52.33 H new ATOM 70 N VAL A 7 -7.317 -5.401 1.597 1.00 21.44 N ATOM 71 CA VAL A 7 -8.480 -5.898 0.872 1.00 31.10 C ATOM 72 C VAL A 7 -9.762 -5.244 1.375 1.00 41.31 C ATOM 73 O VAL A 7 -10.172 -5.455 2.516 1.00 14.22 O ATOM 74 CB VAL A 7 -8.612 -7.427 1.002 1.00 20.13 C ATOM 75 CG1 VAL A 7 -7.450 -8.124 0.312 1.00 25.32 C ATOM 76 CG2 VAL A 7 -8.694 -7.832 2.467 1.00 44.55 C ATOM 0 H VAL A 7 -6.916 -6.067 2.257 1.00 21.44 H new ATOM 0 HA VAL A 7 -8.332 -5.642 -0.177 1.00 31.10 H new ATOM 0 HB VAL A 7 -9.534 -7.738 0.511 1.00 20.13 H new ATOM 0 HG11 VAL A 7 -7.561 -9.204 0.414 1.00 25.32 H new ATOM 0 HG12 VAL A 7 -7.443 -7.859 -0.745 1.00 25.32 H new ATOM 0 HG13 VAL A 7 -6.513 -7.810 0.771 1.00 25.32 H new ATOM 0 HG21 VAL A 7 -8.787 -8.916 2.540 1.00 44.55 H new ATOM 0 HG22 VAL A 7 -7.791 -7.509 2.985 1.00 44.55 H new ATOM 0 HG23 VAL A 7 -9.563 -7.361 2.926 1.00 44.55 H new ATOM 86 N ASP A 8 -10.390 -4.449 0.516 1.00 52.04 N ATOM 87 CA ASP A 8 -11.627 -3.764 0.872 1.00 74.03 C ATOM 88 C ASP A 8 -12.821 -4.395 0.162 1.00 53.53 C ATOM 89 O ASP A 8 -12.656 -5.177 -0.773 1.00 73.33 O ATOM 90 CB ASP A 8 -11.533 -2.279 0.517 1.00 35.15 C ATOM 91 CG ASP A 8 -12.218 -1.395 1.542 1.00 63.24 C ATOM 92 OD1 ASP A 8 -11.951 -1.570 2.749 1.00 12.13 O ATOM 93 OD2 ASP A 8 -13.019 -0.528 1.135 1.00 31.14 O ATOM 0 H ASP A 8 -10.063 -4.263 -0.432 1.00 52.04 H new ATOM 0 HA ASP A 8 -11.772 -3.864 1.948 1.00 74.03 H new ATOM 0 HB2 ASP A 8 -10.484 -1.993 0.437 1.00 35.15 H new ATOM 0 HB3 ASP A 8 -11.984 -2.113 -0.461 1.00 35.15 H new ATOM 98 N GLU A 9 -14.023 -4.048 0.613 1.00 23.35 N ATOM 99 CA GLU A 9 -15.244 -4.583 0.022 1.00 43.41 C ATOM 100 C GLU A 9 -15.406 -4.103 -1.418 1.00 0.35 C ATOM 101 O GLU A 9 -16.221 -4.632 -2.171 1.00 73.52 O ATOM 102 CB GLU A 9 -16.462 -4.168 0.850 1.00 42.22 C ATOM 103 CG GLU A 9 -16.359 -4.550 2.317 1.00 54.21 C ATOM 104 CD GLU A 9 -15.849 -5.963 2.517 1.00 21.53 C ATOM 105 OE1 GLU A 9 -16.673 -6.901 2.485 1.00 31.32 O ATOM 106 OE2 GLU A 9 -14.626 -6.132 2.707 1.00 73.25 O ATOM 0 H GLU A 9 -14.177 -3.399 1.385 1.00 23.35 H new ATOM 0 HA GLU A 9 -15.170 -5.670 0.018 1.00 43.41 H new ATOM 0 HB2 GLU A 9 -16.593 -3.089 0.773 1.00 42.22 H new ATOM 0 HB3 GLU A 9 -17.354 -4.629 0.425 1.00 42.22 H new ATOM 0 HG2 GLU A 9 -15.693 -3.852 2.824 1.00 54.21 H new ATOM 0 HG3 GLU A 9 -17.339 -4.452 2.784 1.00 54.21 H new ATOM 113 N ASN A 10 -14.623 -3.095 -1.791 1.00 75.41 N ATOM 114 CA ASN A 10 -14.681 -2.543 -3.139 1.00 44.54 C ATOM 115 C ASN A 10 -14.118 -3.531 -4.157 1.00 0.52 C ATOM 116 O ASN A 10 -14.701 -3.741 -5.221 1.00 34.32 O ATOM 117 CB ASN A 10 -13.904 -1.226 -3.207 1.00 23.14 C ATOM 118 CG ASN A 10 -14.656 -0.077 -2.563 1.00 71.33 C ATOM 119 OD1 ASN A 10 -15.525 0.535 -3.184 1.00 34.11 O ATOM 120 ND2 ASN A 10 -14.324 0.221 -1.313 1.00 21.35 N ATOM 0 H ASN A 10 -13.942 -2.645 -1.179 1.00 75.41 H new ATOM 0 HA ASN A 10 -15.727 -2.354 -3.382 1.00 44.54 H new ATOM 0 HB2 ASN A 10 -12.941 -1.349 -2.711 1.00 23.14 H new ATOM 0 HB3 ASN A 10 -13.697 -0.983 -4.249 1.00 23.14 H new ATOM 0 HD21 ASN A 10 -14.796 0.985 -0.828 1.00 21.35 H new ATOM 0 HD22 ASN A 10 -13.597 -0.314 -0.837 1.00 21.35 H new ATOM 127 N CYS A 11 -12.983 -4.133 -3.822 1.00 65.22 N ATOM 128 CA CYS A 11 -12.340 -5.099 -4.706 1.00 74.35 C ATOM 129 C CYS A 11 -13.333 -6.164 -5.162 1.00 14.34 C ATOM 130 O CYS A 11 -13.202 -6.727 -6.248 1.00 44.35 O ATOM 131 CB CYS A 11 -11.155 -5.759 -4.000 1.00 70.03 C ATOM 132 SG CYS A 11 -11.619 -7.081 -2.857 1.00 53.31 S ATOM 0 H CYS A 11 -12.489 -3.970 -2.945 1.00 65.22 H new ATOM 0 HA CYS A 11 -11.978 -4.565 -5.585 1.00 74.35 H new ATOM 0 HB2 CYS A 11 -10.478 -6.164 -4.752 1.00 70.03 H new ATOM 0 HB3 CYS A 11 -10.602 -4.996 -3.451 1.00 70.03 H new ATOM 0 HG CYS A 11 -12.151 -6.565 -1.789 1.00 53.31 H new ATOM 138 N VAL A 12 -14.327 -6.436 -4.322 1.00 32.22 N ATOM 139 CA VAL A 12 -15.343 -7.434 -4.637 1.00 43.32 C ATOM 140 C VAL A 12 -16.439 -6.843 -5.517 1.00 64.13 C ATOM 141 O VAL A 12 -17.014 -7.534 -6.357 1.00 33.30 O ATOM 142 CB VAL A 12 -15.981 -8.009 -3.359 1.00 5.14 C ATOM 143 CG1 VAL A 12 -16.909 -9.165 -3.698 1.00 50.24 C ATOM 144 CG2 VAL A 12 -14.904 -8.449 -2.378 1.00 61.54 C ATOM 0 H VAL A 12 -14.450 -5.979 -3.418 1.00 32.22 H new ATOM 0 HA VAL A 12 -14.841 -8.237 -5.176 1.00 43.32 H new ATOM 0 HB VAL A 12 -16.574 -7.226 -2.886 1.00 5.14 H new ATOM 0 HG11 VAL A 12 -17.350 -9.558 -2.782 1.00 50.24 H new ATOM 0 HG12 VAL A 12 -17.700 -8.814 -4.360 1.00 50.24 H new ATOM 0 HG13 VAL A 12 -16.343 -9.953 -4.195 1.00 50.24 H new ATOM 0 HG21 VAL A 12 -15.372 -8.853 -1.480 1.00 61.54 H new ATOM 0 HG22 VAL A 12 -14.283 -9.216 -2.840 1.00 61.54 H new ATOM 0 HG23 VAL A 12 -14.284 -7.593 -2.110 1.00 61.54 H new ATOM 154 N ALA A 13 -16.722 -5.560 -5.319 1.00 44.21 N ATOM 155 CA ALA A 13 -17.747 -4.875 -6.096 1.00 42.25 C ATOM 156 C ALA A 13 -17.512 -5.053 -7.593 1.00 32.44 C ATOM 157 O ALA A 13 -18.444 -4.961 -8.392 1.00 20.11 O ATOM 158 CB ALA A 13 -17.781 -3.396 -5.738 1.00 62.44 C ATOM 0 H ALA A 13 -16.255 -4.974 -4.627 1.00 44.21 H new ATOM 0 HA ALA A 13 -18.711 -5.320 -5.850 1.00 42.25 H new ATOM 0 HB1 ALA A 13 -18.551 -2.897 -6.326 1.00 62.44 H new ATOM 0 HB2 ALA A 13 -18.004 -3.283 -4.677 1.00 62.44 H new ATOM 0 HB3 ALA A 13 -16.812 -2.947 -5.954 1.00 62.44 H new ATOM 164 N ARG A 14 -16.262 -5.309 -7.965 1.00 11.24 N ATOM 165 CA ARG A 14 -15.905 -5.498 -9.365 1.00 74.34 C ATOM 166 C ARG A 14 -16.260 -6.907 -9.831 1.00 74.40 C ATOM 167 O ARG A 14 -17.031 -7.085 -10.775 1.00 44.00 O ATOM 168 CB ARG A 14 -14.411 -5.243 -9.572 1.00 54.54 C ATOM 169 CG ARG A 14 -13.812 -4.281 -8.560 1.00 11.44 C ATOM 170 CD ARG A 14 -12.419 -3.832 -8.974 1.00 14.12 C ATOM 171 NE ARG A 14 -11.480 -3.862 -7.856 1.00 64.33 N ATOM 172 CZ ARG A 14 -10.575 -4.819 -7.683 1.00 21.42 C ATOM 173 NH1 ARG A 14 -10.488 -5.819 -8.549 1.00 41.05 N ATOM 174 NH2 ARG A 14 -9.754 -4.777 -6.641 1.00 35.53 N ATOM 0 H ARG A 14 -15.480 -5.390 -7.316 1.00 11.24 H new ATOM 0 HA ARG A 14 -16.474 -4.783 -9.958 1.00 74.34 H new ATOM 0 HB2 ARG A 14 -13.878 -6.192 -9.518 1.00 54.54 H new ATOM 0 HB3 ARG A 14 -14.254 -4.846 -10.575 1.00 54.54 H new ATOM 0 HG2 ARG A 14 -14.460 -3.411 -8.456 1.00 11.44 H new ATOM 0 HG3 ARG A 14 -13.765 -4.762 -7.583 1.00 11.44 H new ATOM 0 HD2 ARG A 14 -12.053 -4.477 -9.773 1.00 14.12 H new ATOM 0 HD3 ARG A 14 -12.469 -2.821 -9.378 1.00 14.12 H new ATOM 0 HE ARG A 14 -11.521 -3.107 -7.171 1.00 64.33 H new ATOM 0 HH11 ARG A 14 -11.117 -5.855 -9.351 1.00 41.05 H new ATOM 0 HH12 ARG A 14 -9.792 -6.552 -8.413 1.00 41.05 H new ATOM 0 HH21 ARG A 14 -9.818 -4.009 -5.972 1.00 35.53 H new ATOM 0 HH22 ARG A 14 -9.059 -5.512 -6.509 1.00 35.53 H new ATOM 188 N PHE A 15 -15.693 -7.906 -9.163 1.00 33.23 N ATOM 189 CA PHE A 15 -15.948 -9.300 -9.509 1.00 15.33 C ATOM 190 C PHE A 15 -17.444 -9.603 -9.476 1.00 65.11 C ATOM 191 O PHE A 15 -17.959 -10.330 -10.325 1.00 3.42 O ATOM 192 CB PHE A 15 -15.207 -10.230 -8.547 1.00 23.21 C ATOM 193 CG PHE A 15 -13.862 -9.709 -8.126 1.00 71.33 C ATOM 194 CD1 PHE A 15 -13.052 -9.036 -9.027 1.00 34.31 C ATOM 195 CD2 PHE A 15 -13.408 -9.893 -6.830 1.00 62.13 C ATOM 196 CE1 PHE A 15 -11.815 -8.555 -8.643 1.00 62.31 C ATOM 197 CE2 PHE A 15 -12.171 -9.414 -6.441 1.00 33.14 C ATOM 198 CZ PHE A 15 -11.373 -8.745 -7.348 1.00 73.54 C ATOM 0 H PHE A 15 -15.054 -7.776 -8.379 1.00 33.23 H new ATOM 0 HA PHE A 15 -15.582 -9.470 -10.522 1.00 15.33 H new ATOM 0 HB2 PHE A 15 -15.821 -10.386 -7.660 1.00 23.21 H new ATOM 0 HB3 PHE A 15 -15.079 -11.203 -9.021 1.00 23.21 H new ATOM 0 HD1 PHE A 15 -13.392 -8.886 -10.041 1.00 34.31 H new ATOM 0 HD2 PHE A 15 -14.027 -10.416 -6.116 1.00 62.13 H new ATOM 0 HE1 PHE A 15 -11.194 -8.031 -9.355 1.00 62.31 H new ATOM 0 HE2 PHE A 15 -11.829 -9.563 -5.428 1.00 33.14 H new ATOM 0 HZ PHE A 15 -10.406 -8.371 -7.046 1.00 73.54 H new ATOM 208 N ASN A 16 -18.134 -9.041 -8.489 1.00 61.12 N ATOM 209 CA ASN A 16 -19.570 -9.252 -8.344 1.00 43.03 C ATOM 210 C ASN A 16 -20.338 -8.549 -9.459 1.00 70.03 C ATOM 211 O ASN A 16 -21.527 -8.795 -9.657 1.00 33.21 O ATOM 212 CB ASN A 16 -20.046 -8.743 -6.982 1.00 70.22 C ATOM 213 CG ASN A 16 -21.555 -8.801 -6.839 1.00 24.34 C ATOM 214 OD1 ASN A 16 -22.193 -7.814 -6.475 1.00 11.35 O ATOM 215 ND2 ASN A 16 -22.132 -9.963 -7.125 1.00 3.43 N ATOM 0 H ASN A 16 -17.722 -8.436 -7.778 1.00 61.12 H new ATOM 0 HA ASN A 16 -19.764 -10.322 -8.412 1.00 43.03 H new ATOM 0 HB2 ASN A 16 -19.586 -9.338 -6.193 1.00 70.22 H new ATOM 0 HB3 ASN A 16 -19.710 -7.716 -6.843 1.00 70.22 H new ATOM 0 HD21 ASN A 16 -23.144 -10.063 -7.046 1.00 3.43 H new ATOM 0 HD22 ASN A 16 -21.563 -10.755 -7.423 1.00 3.43 H new ATOM 222 N GLU A 17 -19.649 -7.674 -10.185 1.00 1.22 N ATOM 223 CA GLU A 17 -20.267 -6.935 -11.280 1.00 31.43 C ATOM 224 C GLU A 17 -20.039 -7.645 -12.611 1.00 51.24 C ATOM 225 O GLU A 17 -20.916 -7.664 -13.476 1.00 53.51 O ATOM 226 CB GLU A 17 -19.708 -5.513 -11.345 1.00 4.32 C ATOM 227 CG GLU A 17 -20.483 -4.515 -10.501 1.00 42.43 C ATOM 228 CD GLU A 17 -21.370 -5.186 -9.471 1.00 23.21 C ATOM 229 OE1 GLU A 17 -20.825 -5.834 -8.552 1.00 72.35 O ATOM 230 OE2 GLU A 17 -22.607 -5.064 -9.583 1.00 33.34 O ATOM 0 H GLU A 17 -18.663 -7.460 -10.035 1.00 1.22 H new ATOM 0 HA GLU A 17 -21.340 -6.887 -11.092 1.00 31.43 H new ATOM 0 HB2 GLU A 17 -18.669 -5.525 -11.016 1.00 4.32 H new ATOM 0 HB3 GLU A 17 -19.710 -5.178 -12.382 1.00 4.32 H new ATOM 0 HG2 GLU A 17 -19.782 -3.852 -9.994 1.00 42.43 H new ATOM 0 HG3 GLU A 17 -21.096 -3.893 -11.153 1.00 42.43 H new ATOM 237 N LEU A 18 -18.856 -8.227 -12.770 1.00 4.22 N ATOM 238 CA LEU A 18 -18.510 -8.938 -13.996 1.00 54.41 C ATOM 239 C LEU A 18 -19.003 -10.380 -13.946 1.00 73.23 C ATOM 240 O LEU A 18 -19.298 -10.983 -14.979 1.00 32.25 O ATOM 241 CB LEU A 18 -16.997 -8.911 -14.216 1.00 2.05 C ATOM 242 CG LEU A 18 -16.140 -9.394 -13.045 1.00 32.04 C ATOM 243 CD1 LEU A 18 -15.656 -10.815 -13.288 1.00 41.10 C ATOM 244 CD2 LEU A 18 -14.961 -8.457 -12.824 1.00 35.20 C ATOM 0 H LEU A 18 -18.119 -8.221 -12.065 1.00 4.22 H new ATOM 0 HA LEU A 18 -19.000 -8.434 -14.829 1.00 54.41 H new ATOM 0 HB2 LEU A 18 -16.766 -9.524 -15.087 1.00 2.05 H new ATOM 0 HB3 LEU A 18 -16.703 -7.890 -14.458 1.00 2.05 H new ATOM 0 HG LEU A 18 -16.754 -9.391 -12.145 1.00 32.04 H new ATOM 0 HD11 LEU A 18 -15.048 -11.142 -12.444 1.00 41.10 H new ATOM 0 HD12 LEU A 18 -16.514 -11.478 -13.395 1.00 41.10 H new ATOM 0 HD13 LEU A 18 -15.058 -10.845 -14.199 1.00 41.10 H new ATOM 0 HD21 LEU A 18 -14.362 -8.816 -11.987 1.00 35.20 H new ATOM 0 HD22 LEU A 18 -14.346 -8.427 -13.724 1.00 35.20 H new ATOM 0 HD23 LEU A 18 -15.329 -7.455 -12.603 1.00 35.20 H new ATOM 256 N LYS A 19 -19.092 -10.928 -12.739 1.00 73.32 N ATOM 257 CA LYS A 19 -19.553 -12.299 -12.553 1.00 21.12 C ATOM 258 C LYS A 19 -21.063 -12.397 -12.747 1.00 44.03 C ATOM 259 O LYS A 19 -21.593 -13.472 -13.031 1.00 3.31 O ATOM 260 CB LYS A 19 -19.174 -12.801 -11.158 1.00 12.14 C ATOM 261 CG LYS A 19 -19.590 -14.238 -10.895 1.00 4.05 C ATOM 262 CD LYS A 19 -19.294 -14.651 -9.462 1.00 42.34 C ATOM 263 CE LYS A 19 -19.521 -16.140 -9.253 1.00 61.13 C ATOM 264 NZ LYS A 19 -18.418 -16.765 -8.471 1.00 55.22 N ATOM 0 H LYS A 19 -18.851 -10.444 -11.874 1.00 73.32 H new ATOM 0 HA LYS A 19 -19.067 -12.924 -13.302 1.00 21.12 H new ATOM 0 HB2 LYS A 19 -18.095 -12.715 -11.031 1.00 12.14 H new ATOM 0 HB3 LYS A 19 -19.636 -12.155 -10.411 1.00 12.14 H new ATOM 0 HG2 LYS A 19 -20.656 -14.352 -11.095 1.00 4.05 H new ATOM 0 HG3 LYS A 19 -19.064 -14.901 -11.582 1.00 4.05 H new ATOM 0 HD2 LYS A 19 -18.262 -14.401 -9.216 1.00 42.34 H new ATOM 0 HD3 LYS A 19 -19.930 -14.086 -8.781 1.00 42.34 H new ATOM 0 HE2 LYS A 19 -20.467 -16.294 -8.734 1.00 61.13 H new ATOM 0 HE3 LYS A 19 -19.605 -16.634 -10.221 1.00 61.13 H new ATOM 0 HZ1 LYS A 19 -18.610 -17.780 -8.350 1.00 55.22 H new ATOM 0 HZ2 LYS A 19 -17.519 -16.641 -8.979 1.00 55.22 H new ATOM 0 HZ3 LYS A 19 -18.354 -16.311 -7.537 1.00 55.22 H new ATOM 278 N ILE A 20 -21.749 -11.269 -12.595 1.00 24.34 N ATOM 279 CA ILE A 20 -23.197 -11.229 -12.756 1.00 44.23 C ATOM 280 C ILE A 20 -23.581 -10.740 -14.149 1.00 2.03 C ATOM 281 O ILE A 20 -24.636 -11.097 -14.674 1.00 5.01 O ATOM 282 CB ILE A 20 -23.855 -10.317 -11.704 1.00 52.35 C ATOM 283 CG1 ILE A 20 -23.411 -8.866 -11.905 1.00 61.43 C ATOM 284 CG2 ILE A 20 -23.511 -10.792 -10.301 1.00 21.40 C ATOM 285 CD1 ILE A 20 -24.038 -7.901 -10.924 1.00 60.00 C ATOM 0 H ILE A 20 -21.325 -10.371 -12.361 1.00 24.34 H new ATOM 0 HA ILE A 20 -23.559 -12.248 -12.618 1.00 44.23 H new ATOM 0 HB ILE A 20 -24.937 -10.367 -11.828 1.00 52.35 H new ATOM 0 HG12 ILE A 20 -22.326 -8.811 -11.814 1.00 61.43 H new ATOM 0 HG13 ILE A 20 -23.662 -8.555 -12.919 1.00 61.43 H new ATOM 0 HG21 ILE A 20 -23.984 -10.137 -9.569 1.00 21.40 H new ATOM 0 HG22 ILE A 20 -23.873 -11.811 -10.163 1.00 21.40 H new ATOM 0 HG23 ILE A 20 -22.430 -10.769 -10.164 1.00 21.40 H new ATOM 0 HD11 ILE A 20 -23.678 -6.892 -11.126 1.00 60.00 H new ATOM 0 HD12 ILE A 20 -25.122 -7.927 -11.030 1.00 60.00 H new ATOM 0 HD13 ILE A 20 -23.766 -8.187 -9.908 1.00 60.00 H new ATOM 297 N ARG A 21 -22.717 -9.923 -14.742 1.00 52.41 N ATOM 298 CA ARG A 21 -22.966 -9.385 -16.074 1.00 64.13 C ATOM 299 C ARG A 21 -22.416 -10.319 -17.149 1.00 0.04 C ATOM 300 O ARG A 21 -23.036 -10.514 -18.194 1.00 51.32 O ATOM 301 CB ARG A 21 -22.332 -8.000 -16.215 1.00 1.21 C ATOM 302 CG ARG A 21 -23.178 -6.881 -15.630 1.00 52.34 C ATOM 303 CD ARG A 21 -24.192 -6.364 -16.639 1.00 34.30 C ATOM 304 NE ARG A 21 -25.536 -6.284 -16.072 1.00 41.21 N ATOM 305 CZ ARG A 21 -26.642 -6.248 -16.806 1.00 74.42 C ATOM 306 NH1 ARG A 21 -26.566 -6.287 -18.129 1.00 44.43 N ATOM 307 NH2 ARG A 21 -27.829 -6.175 -16.217 1.00 30.21 N ATOM 0 H ARG A 21 -21.839 -9.619 -14.321 1.00 52.41 H new ATOM 0 HA ARG A 21 -24.044 -9.299 -16.208 1.00 64.13 H new ATOM 0 HB2 ARG A 21 -21.359 -8.003 -15.724 1.00 1.21 H new ATOM 0 HB3 ARG A 21 -22.155 -7.796 -17.271 1.00 1.21 H new ATOM 0 HG2 ARG A 21 -23.698 -7.242 -14.743 1.00 52.34 H new ATOM 0 HG3 ARG A 21 -22.532 -6.064 -15.310 1.00 52.34 H new ATOM 0 HD2 ARG A 21 -23.886 -5.378 -16.987 1.00 34.30 H new ATOM 0 HD3 ARG A 21 -24.204 -7.020 -17.509 1.00 34.30 H new ATOM 0 HE ARG A 21 -25.630 -6.254 -15.057 1.00 41.21 H new ATOM 0 HH11 ARG A 21 -25.656 -6.345 -18.586 1.00 44.43 H new ATOM 0 HH12 ARG A 21 -27.418 -6.259 -18.690 1.00 44.43 H new ATOM 0 HH21 ARG A 21 -27.892 -6.146 -15.199 1.00 30.21 H new ATOM 0 HH22 ARG A 21 -28.678 -6.147 -16.782 1.00 30.21 H new ATOM 321 N LYS A 22 -21.248 -10.894 -16.884 1.00 21.22 N ATOM 322 CA LYS A 22 -20.614 -11.808 -17.826 1.00 64.41 C ATOM 323 C LYS A 22 -20.424 -11.143 -19.186 1.00 30.33 C ATOM 324 O LYS A 22 -20.186 -11.815 -20.190 1.00 23.21 O ATOM 325 CB LYS A 22 -21.454 -13.078 -17.980 1.00 63.35 C ATOM 326 CG LYS A 22 -21.608 -13.866 -16.691 1.00 12.31 C ATOM 327 CD LYS A 22 -21.832 -15.344 -16.963 1.00 42.24 C ATOM 328 CE LYS A 22 -20.549 -16.029 -17.409 1.00 2.32 C ATOM 329 NZ LYS A 22 -20.527 -16.264 -18.879 1.00 73.01 N ATOM 0 H LYS A 22 -20.721 -10.743 -16.024 1.00 21.22 H new ATOM 0 HA LYS A 22 -19.633 -12.074 -17.431 1.00 64.41 H new ATOM 0 HB2 LYS A 22 -22.443 -12.807 -18.350 1.00 63.35 H new ATOM 0 HB3 LYS A 22 -20.995 -13.717 -18.734 1.00 63.35 H new ATOM 0 HG2 LYS A 22 -20.716 -13.739 -16.078 1.00 12.31 H new ATOM 0 HG3 LYS A 22 -22.447 -13.469 -16.119 1.00 12.31 H new ATOM 0 HD2 LYS A 22 -22.210 -15.828 -16.062 1.00 42.24 H new ATOM 0 HD3 LYS A 22 -22.595 -15.462 -17.732 1.00 42.24 H new ATOM 0 HE2 LYS A 22 -19.693 -15.416 -17.127 1.00 2.32 H new ATOM 0 HE3 LYS A 22 -20.445 -16.981 -16.888 1.00 2.32 H new ATOM 0 HZ1 LYS A 22 -20.615 -17.283 -19.069 1.00 73.01 H new ATOM 0 HZ2 LYS A 22 -21.321 -15.759 -19.323 1.00 73.01 H new ATOM 0 HZ3 LYS A 22 -19.630 -15.914 -19.273 1.00 73.01 H new ATOM 343 N THR A 23 -20.530 -9.818 -19.211 1.00 62.33 N ATOM 344 CA THR A 23 -20.370 -9.063 -20.447 1.00 43.51 C ATOM 345 C THR A 23 -19.367 -7.928 -20.272 1.00 11.24 C ATOM 346 O THR A 23 -19.412 -6.929 -20.990 1.00 74.11 O ATOM 347 CB THR A 23 -21.712 -8.477 -20.925 1.00 62.15 C ATOM 348 OG1 THR A 23 -22.764 -9.424 -20.709 1.00 51.14 O ATOM 349 CG2 THR A 23 -21.647 -8.111 -22.401 1.00 13.25 C ATOM 0 H THR A 23 -20.726 -9.246 -18.389 1.00 62.33 H new ATOM 0 HA THR A 23 -19.998 -9.761 -21.198 1.00 43.51 H new ATOM 0 HB THR A 23 -21.914 -7.573 -20.351 1.00 62.15 H new ATOM 0 HG1 THR A 23 -22.846 -9.608 -19.750 1.00 51.14 H new ATOM 0 HG21 THR A 23 -22.606 -7.699 -22.716 1.00 13.25 H new ATOM 0 HG22 THR A 23 -20.864 -7.369 -22.558 1.00 13.25 H new ATOM 0 HG23 THR A 23 -21.424 -9.002 -22.987 1.00 13.25 H new ATOM 357 N VAL A 24 -18.461 -8.088 -19.312 1.00 51.31 N ATOM 358 CA VAL A 24 -17.445 -7.077 -19.043 1.00 54.15 C ATOM 359 C VAL A 24 -18.074 -5.792 -18.516 1.00 34.32 C ATOM 360 O VAL A 24 -18.524 -4.945 -19.288 1.00 30.13 O ATOM 361 CB VAL A 24 -16.627 -6.753 -20.308 1.00 35.21 C ATOM 362 CG1 VAL A 24 -15.912 -5.420 -20.154 1.00 50.34 C ATOM 363 CG2 VAL A 24 -15.636 -7.869 -20.601 1.00 21.15 C ATOM 0 H VAL A 24 -18.410 -8.908 -18.708 1.00 51.31 H new ATOM 0 HA VAL A 24 -16.780 -7.491 -18.285 1.00 54.15 H new ATOM 0 HB VAL A 24 -17.311 -6.675 -21.153 1.00 35.21 H new ATOM 0 HG11 VAL A 24 -15.339 -5.208 -21.057 1.00 50.34 H new ATOM 0 HG12 VAL A 24 -16.646 -4.630 -19.996 1.00 50.34 H new ATOM 0 HG13 VAL A 24 -15.237 -5.466 -19.299 1.00 50.34 H new ATOM 0 HG21 VAL A 24 -15.067 -7.624 -21.498 1.00 21.15 H new ATOM 0 HG22 VAL A 24 -14.955 -7.981 -19.758 1.00 21.15 H new ATOM 0 HG23 VAL A 24 -16.176 -8.803 -20.758 1.00 21.15 H new ATOM 373 N LYS A 25 -18.103 -5.653 -17.195 1.00 22.43 N ATOM 374 CA LYS A 25 -18.675 -4.471 -16.561 1.00 60.23 C ATOM 375 C LYS A 25 -17.652 -3.341 -16.494 1.00 34.43 C ATOM 376 O LYS A 25 -17.935 -2.268 -15.962 1.00 44.41 O ATOM 377 CB LYS A 25 -19.170 -4.811 -15.153 1.00 44.44 C ATOM 378 CG LYS A 25 -19.878 -3.658 -14.463 1.00 54.05 C ATOM 379 CD LYS A 25 -21.293 -4.036 -14.058 1.00 53.22 C ATOM 380 CE LYS A 25 -22.318 -3.502 -15.047 1.00 42.45 C ATOM 381 NZ LYS A 25 -23.708 -3.630 -14.530 1.00 31.03 N ATOM 0 H LYS A 25 -17.736 -6.345 -16.542 1.00 22.43 H new ATOM 0 HA LYS A 25 -19.519 -4.138 -17.165 1.00 60.23 H new ATOM 0 HB2 LYS A 25 -19.850 -5.661 -15.211 1.00 44.44 H new ATOM 0 HB3 LYS A 25 -18.321 -5.122 -14.544 1.00 44.44 H new ATOM 0 HG2 LYS A 25 -19.313 -3.359 -13.580 1.00 54.05 H new ATOM 0 HG3 LYS A 25 -19.907 -2.796 -15.130 1.00 54.05 H new ATOM 0 HD2 LYS A 25 -21.377 -5.121 -13.996 1.00 53.22 H new ATOM 0 HD3 LYS A 25 -21.505 -3.642 -13.064 1.00 53.22 H new ATOM 0 HE2 LYS A 25 -22.105 -2.454 -15.260 1.00 42.45 H new ATOM 0 HE3 LYS A 25 -22.230 -4.043 -15.989 1.00 42.45 H new ATOM 0 HZ1 LYS A 25 -24.377 -3.271 -15.240 1.00 31.03 H new ATOM 0 HZ2 LYS A 25 -23.915 -4.630 -14.334 1.00 31.03 H new ATOM 0 HZ3 LYS A 25 -23.805 -3.079 -13.653 1.00 31.03 H new ATOM 395 N TRP A 26 -16.466 -3.590 -17.036 1.00 72.44 N ATOM 396 CA TRP A 26 -15.402 -2.593 -17.038 1.00 53.45 C ATOM 397 C TRP A 26 -15.300 -1.903 -15.682 1.00 70.15 C ATOM 398 O TRP A 26 -15.837 -0.812 -15.489 1.00 31.01 O ATOM 399 CB TRP A 26 -15.650 -1.555 -18.135 1.00 34.04 C ATOM 400 CG TRP A 26 -14.797 -0.331 -17.998 1.00 1.44 C ATOM 401 CD1 TRP A 26 -13.444 -0.251 -18.168 1.00 32.10 C ATOM 402 CD2 TRP A 26 -15.239 0.989 -17.660 1.00 20.42 C ATOM 403 NE1 TRP A 26 -13.019 1.038 -17.956 1.00 43.14 N ATOM 404 CE2 TRP A 26 -14.101 1.818 -17.644 1.00 45.22 C ATOM 405 CE3 TRP A 26 -16.486 1.550 -17.371 1.00 45.42 C ATOM 406 CZ2 TRP A 26 -14.174 3.177 -17.350 1.00 51.00 C ATOM 407 CZ3 TRP A 26 -16.557 2.899 -17.079 1.00 42.12 C ATOM 408 CH2 TRP A 26 -15.407 3.700 -17.071 1.00 53.51 C ATOM 0 H TRP A 26 -16.217 -4.474 -17.480 1.00 72.44 H new ATOM 0 HA TRP A 26 -14.460 -3.104 -17.237 1.00 53.45 H new ATOM 0 HB2 TRP A 26 -15.463 -2.012 -19.107 1.00 34.04 H new ATOM 0 HB3 TRP A 26 -16.700 -1.262 -18.117 1.00 34.04 H new ATOM 0 HD1 TRP A 26 -12.803 -1.079 -18.430 1.00 32.10 H new ATOM 0 HE1 TRP A 26 -12.054 1.362 -18.020 1.00 43.14 H new ATOM 0 HE3 TRP A 26 -17.378 0.941 -17.376 1.00 45.42 H new ATOM 0 HZ2 TRP A 26 -13.289 3.796 -17.342 1.00 51.00 H new ATOM 0 HZ3 TRP A 26 -17.515 3.343 -16.853 1.00 42.12 H new ATOM 0 HH2 TRP A 26 -15.496 4.751 -16.840 1.00 53.51 H new ATOM 419 N ILE A 27 -14.608 -2.545 -14.748 1.00 21.43 N ATOM 420 CA ILE A 27 -14.435 -1.992 -13.410 1.00 40.14 C ATOM 421 C ILE A 27 -12.983 -1.599 -13.162 1.00 2.32 C ATOM 422 O ILE A 27 -12.106 -2.456 -13.051 1.00 34.04 O ATOM 423 CB ILE A 27 -14.877 -2.992 -12.326 1.00 12.13 C ATOM 424 CG1 ILE A 27 -16.152 -3.718 -12.760 1.00 12.12 C ATOM 425 CG2 ILE A 27 -15.094 -2.275 -11.001 1.00 60.23 C ATOM 426 CD1 ILE A 27 -15.911 -5.138 -13.222 1.00 35.04 C ATOM 0 H ILE A 27 -14.158 -3.449 -14.892 1.00 21.43 H new ATOM 0 HA ILE A 27 -15.065 -1.104 -13.351 1.00 40.14 H new ATOM 0 HB ILE A 27 -14.088 -3.732 -12.192 1.00 12.13 H new ATOM 0 HG12 ILE A 27 -16.855 -3.730 -11.927 1.00 12.12 H new ATOM 0 HG13 ILE A 27 -16.623 -3.157 -13.567 1.00 12.12 H new ATOM 0 HG21 ILE A 27 -15.406 -2.995 -10.245 1.00 60.23 H new ATOM 0 HG22 ILE A 27 -14.164 -1.800 -10.688 1.00 60.23 H new ATOM 0 HG23 ILE A 27 -15.867 -1.516 -11.120 1.00 60.23 H new ATOM 0 HD11 ILE A 27 -16.858 -5.591 -13.514 1.00 35.04 H new ATOM 0 HD12 ILE A 27 -15.233 -5.133 -14.075 1.00 35.04 H new ATOM 0 HD13 ILE A 27 -15.468 -5.715 -12.410 1.00 35.04 H new ATOM 438 N VAL A 28 -12.735 -0.296 -13.074 1.00 10.43 N ATOM 439 CA VAL A 28 -11.389 0.212 -12.835 1.00 13.31 C ATOM 440 C VAL A 28 -11.208 0.624 -11.378 1.00 64.42 C ATOM 441 O VAL A 28 -11.779 1.616 -10.926 1.00 72.11 O ATOM 442 CB VAL A 28 -11.076 1.418 -13.740 1.00 43.24 C ATOM 443 CG1 VAL A 28 -9.574 1.566 -13.933 1.00 30.45 C ATOM 444 CG2 VAL A 28 -11.782 1.276 -15.080 1.00 65.44 C ATOM 0 H VAL A 28 -13.449 0.427 -13.165 1.00 10.43 H new ATOM 0 HA VAL A 28 -10.698 -0.598 -13.069 1.00 13.31 H new ATOM 0 HB VAL A 28 -11.446 2.320 -13.254 1.00 43.24 H new ATOM 0 HG11 VAL A 28 -9.372 2.423 -14.575 1.00 30.45 H new ATOM 0 HG12 VAL A 28 -9.096 1.717 -12.965 1.00 30.45 H new ATOM 0 HG13 VAL A 28 -9.176 0.664 -14.397 1.00 30.45 H new ATOM 0 HG21 VAL A 28 -11.550 2.137 -15.707 1.00 65.44 H new ATOM 0 HG22 VAL A 28 -11.444 0.365 -15.575 1.00 65.44 H new ATOM 0 HG23 VAL A 28 -12.859 1.224 -14.920 1.00 65.44 H new ATOM 454 N PHE A 29 -10.407 -0.146 -10.647 1.00 54.44 N ATOM 455 CA PHE A 29 -10.150 0.138 -9.240 1.00 41.34 C ATOM 456 C PHE A 29 -8.754 0.725 -9.050 1.00 53.25 C ATOM 457 O PHE A 29 -7.891 0.598 -9.919 1.00 21.11 O ATOM 458 CB PHE A 29 -10.298 -1.136 -8.406 1.00 4.31 C ATOM 459 CG PHE A 29 -9.188 -2.125 -8.621 1.00 2.14 C ATOM 460 CD1 PHE A 29 -9.168 -2.930 -9.748 1.00 42.44 C ATOM 461 CD2 PHE A 29 -8.164 -2.250 -7.695 1.00 15.41 C ATOM 462 CE1 PHE A 29 -8.148 -3.841 -9.948 1.00 33.13 C ATOM 463 CE2 PHE A 29 -7.142 -3.159 -7.889 1.00 61.12 C ATOM 464 CZ PHE A 29 -7.133 -3.955 -9.018 1.00 34.13 C ATOM 0 H PHE A 29 -9.925 -0.970 -11.006 1.00 54.44 H new ATOM 0 HA PHE A 29 -10.882 0.872 -8.903 1.00 41.34 H new ATOM 0 HB2 PHE A 29 -10.335 -0.867 -7.350 1.00 4.31 H new ATOM 0 HB3 PHE A 29 -11.249 -1.611 -8.648 1.00 4.31 H new ATOM 0 HD1 PHE A 29 -9.959 -2.845 -10.479 1.00 42.44 H new ATOM 0 HD2 PHE A 29 -8.165 -1.629 -6.811 1.00 15.41 H new ATOM 0 HE1 PHE A 29 -8.145 -4.463 -10.831 1.00 33.13 H new ATOM 0 HE2 PHE A 29 -6.351 -3.247 -7.159 1.00 61.12 H new ATOM 0 HZ PHE A 29 -6.334 -4.665 -9.173 1.00 34.13 H new ATOM 474 N LYS A 30 -8.541 1.370 -7.908 1.00 64.34 N ATOM 475 CA LYS A 30 -7.251 1.977 -7.602 1.00 22.34 C ATOM 476 C LYS A 30 -6.825 1.657 -6.172 1.00 53.01 C ATOM 477 O LYS A 30 -7.533 1.979 -5.217 1.00 50.24 O ATOM 478 CB LYS A 30 -7.318 3.493 -7.798 1.00 30.10 C ATOM 479 CG LYS A 30 -6.539 4.276 -6.756 1.00 4.31 C ATOM 480 CD LYS A 30 -7.444 4.779 -5.644 1.00 40.20 C ATOM 481 CE LYS A 30 -6.703 4.868 -4.319 1.00 23.22 C ATOM 482 NZ LYS A 30 -5.515 5.761 -4.407 1.00 5.14 N ATOM 0 H LYS A 30 -9.245 1.486 -7.179 1.00 64.34 H new ATOM 0 HA LYS A 30 -6.511 1.561 -8.285 1.00 22.34 H new ATOM 0 HB2 LYS A 30 -6.934 3.740 -8.788 1.00 30.10 H new ATOM 0 HB3 LYS A 30 -8.361 3.808 -7.773 1.00 30.10 H new ATOM 0 HG2 LYS A 30 -5.759 3.644 -6.333 1.00 4.31 H new ATOM 0 HG3 LYS A 30 -6.042 5.121 -7.232 1.00 4.31 H new ATOM 0 HD2 LYS A 30 -7.837 5.761 -5.909 1.00 40.20 H new ATOM 0 HD3 LYS A 30 -8.299 4.111 -5.540 1.00 40.20 H new ATOM 0 HE2 LYS A 30 -7.379 5.238 -3.549 1.00 23.22 H new ATOM 0 HE3 LYS A 30 -6.386 3.871 -4.012 1.00 23.22 H new ATOM 0 HZ1 LYS A 30 -4.649 5.200 -4.281 1.00 5.14 H new ATOM 0 HZ2 LYS A 30 -5.496 6.222 -5.339 1.00 5.14 H new ATOM 0 HZ3 LYS A 30 -5.569 6.486 -3.663 1.00 5.14 H new ATOM 496 N ILE A 31 -5.666 1.024 -6.033 1.00 23.44 N ATOM 497 CA ILE A 31 -5.146 0.663 -4.719 1.00 43.53 C ATOM 498 C ILE A 31 -4.501 1.864 -4.035 1.00 54.20 C ATOM 499 O ILE A 31 -3.564 2.462 -4.562 1.00 61.34 O ATOM 500 CB ILE A 31 -4.112 -0.474 -4.816 1.00 20.13 C ATOM 501 CG1 ILE A 31 -3.019 -0.116 -5.825 1.00 54.41 C ATOM 502 CG2 ILE A 31 -4.793 -1.777 -5.205 1.00 34.40 C ATOM 503 CD1 ILE A 31 -1.952 -1.179 -5.964 1.00 14.23 C ATOM 0 H ILE A 31 -5.069 0.750 -6.813 1.00 23.44 H new ATOM 0 HA ILE A 31 -5.995 0.322 -4.126 1.00 43.53 H new ATOM 0 HB ILE A 31 -3.648 -0.607 -3.839 1.00 20.13 H new ATOM 0 HG12 ILE A 31 -3.477 0.056 -6.799 1.00 54.41 H new ATOM 0 HG13 ILE A 31 -2.550 0.821 -5.523 1.00 54.41 H new ATOM 0 HG21 ILE A 31 -4.049 -2.571 -5.270 1.00 34.40 H new ATOM 0 HG22 ILE A 31 -5.537 -2.037 -4.452 1.00 34.40 H new ATOM 0 HG23 ILE A 31 -5.281 -1.658 -6.172 1.00 34.40 H new ATOM 0 HD11 ILE A 31 -1.211 -0.857 -6.696 1.00 14.23 H new ATOM 0 HD12 ILE A 31 -1.467 -1.336 -5.001 1.00 14.23 H new ATOM 0 HD13 ILE A 31 -2.408 -2.111 -6.296 1.00 14.23 H new ATOM 515 N GLU A 32 -5.010 2.210 -2.857 1.00 11.44 N ATOM 516 CA GLU A 32 -4.483 3.340 -2.100 1.00 22.43 C ATOM 517 C GLU A 32 -3.375 2.889 -1.151 1.00 54.31 C ATOM 518 O GLU A 32 -2.891 1.762 -1.237 1.00 21.21 O ATOM 519 CB GLU A 32 -5.602 4.019 -1.308 1.00 53.02 C ATOM 520 CG GLU A 32 -5.524 5.536 -1.323 1.00 41.42 C ATOM 521 CD GLU A 32 -5.481 6.132 0.071 1.00 40.14 C ATOM 522 OE1 GLU A 32 -6.431 5.898 0.846 1.00 55.51 O ATOM 523 OE2 GLU A 32 -4.496 6.832 0.386 1.00 42.12 O ATOM 0 H GLU A 32 -5.786 1.725 -2.406 1.00 11.44 H new ATOM 0 HA GLU A 32 -4.064 4.055 -2.808 1.00 22.43 H new ATOM 0 HB2 GLU A 32 -6.564 3.709 -1.716 1.00 53.02 H new ATOM 0 HB3 GLU A 32 -5.567 3.672 -0.275 1.00 53.02 H new ATOM 0 HG2 GLU A 32 -4.636 5.845 -1.874 1.00 41.42 H new ATOM 0 HG3 GLU A 32 -6.386 5.935 -1.858 1.00 41.42 H new ATOM 530 N ASN A 33 -2.980 3.780 -0.247 1.00 61.04 N ATOM 531 CA ASN A 33 -1.929 3.475 0.717 1.00 50.41 C ATOM 532 C ASN A 33 -2.384 2.397 1.695 1.00 33.21 C ATOM 533 O ASN A 33 -2.945 2.696 2.750 1.00 21.51 O ATOM 534 CB ASN A 33 -1.529 4.738 1.483 1.00 52.34 C ATOM 535 CG ASN A 33 -1.296 5.922 0.564 1.00 51.11 C ATOM 536 OD1 ASN A 33 -0.948 5.756 -0.605 1.00 63.41 O ATOM 537 ND2 ASN A 33 -1.488 7.126 1.090 1.00 3.13 N ATOM 0 H ASN A 33 -3.371 4.718 -0.162 1.00 61.04 H new ATOM 0 HA ASN A 33 -1.065 3.101 0.168 1.00 50.41 H new ATOM 0 HB2 ASN A 33 -2.310 4.987 2.201 1.00 52.34 H new ATOM 0 HB3 ASN A 33 -0.622 4.541 2.055 1.00 52.34 H new ATOM 0 HD21 ASN A 33 -1.347 7.960 0.520 1.00 3.13 H new ATOM 0 HD22 ASN A 33 -1.777 7.217 2.064 1.00 3.13 H new ATOM 544 N THR A 34 -2.139 1.140 1.338 1.00 61.10 N ATOM 545 CA THR A 34 -2.523 0.016 2.183 1.00 54.32 C ATOM 546 C THR A 34 -4.037 -0.163 2.204 1.00 11.32 C ATOM 547 O THR A 34 -4.641 -0.309 3.267 1.00 23.13 O ATOM 548 CB THR A 34 -2.019 0.201 3.627 1.00 72.34 C ATOM 549 OG1 THR A 34 -0.875 1.061 3.640 1.00 43.03 O ATOM 550 CG2 THR A 34 -1.660 -1.140 4.249 1.00 5.25 C ATOM 0 H THR A 34 -1.676 0.875 0.469 1.00 61.10 H new ATOM 0 HA THR A 34 -2.060 -0.874 1.756 1.00 54.32 H new ATOM 0 HB THR A 34 -2.819 0.654 4.213 1.00 72.34 H new ATOM 0 HG1 THR A 34 -0.562 1.175 4.562 1.00 43.03 H new ATOM 0 HG21 THR A 34 -1.307 -0.985 5.268 1.00 5.25 H new ATOM 0 HG22 THR A 34 -2.541 -1.782 4.264 1.00 5.25 H new ATOM 0 HG23 THR A 34 -0.875 -1.615 3.661 1.00 5.25 H new ATOM 558 N LYS A 35 -4.646 -0.151 1.023 1.00 13.25 N ATOM 559 CA LYS A 35 -6.090 -0.314 0.905 1.00 14.14 C ATOM 560 C LYS A 35 -6.511 -0.391 -0.559 1.00 14.23 C ATOM 561 O LYS A 35 -5.796 0.076 -1.445 1.00 44.31 O ATOM 562 CB LYS A 35 -6.813 0.846 1.595 1.00 74.43 C ATOM 563 CG LYS A 35 -8.322 0.675 1.649 1.00 3.44 C ATOM 564 CD LYS A 35 -8.713 -0.598 2.380 1.00 70.32 C ATOM 565 CE LYS A 35 -8.240 -0.580 3.825 1.00 4.01 C ATOM 566 NZ LYS A 35 -7.291 -1.691 4.112 1.00 23.21 N ATOM 0 H LYS A 35 -4.161 -0.030 0.134 1.00 13.25 H new ATOM 0 HA LYS A 35 -6.366 -1.248 1.394 1.00 14.14 H new ATOM 0 HB2 LYS A 35 -6.431 0.949 2.611 1.00 74.43 H new ATOM 0 HB3 LYS A 35 -6.579 1.773 1.071 1.00 74.43 H new ATOM 0 HG2 LYS A 35 -8.769 1.534 2.149 1.00 3.44 H new ATOM 0 HG3 LYS A 35 -8.723 0.652 0.636 1.00 3.44 H new ATOM 0 HD2 LYS A 35 -9.796 -0.716 2.352 1.00 70.32 H new ATOM 0 HD3 LYS A 35 -8.285 -1.459 1.867 1.00 70.32 H new ATOM 0 HE2 LYS A 35 -7.757 0.374 4.037 1.00 4.01 H new ATOM 0 HE3 LYS A 35 -9.100 -0.657 4.490 1.00 4.01 H new ATOM 0 HZ1 LYS A 35 -7.317 -1.916 5.127 1.00 23.21 H new ATOM 0 HZ2 LYS A 35 -7.564 -2.531 3.564 1.00 23.21 H new ATOM 0 HZ3 LYS A 35 -6.328 -1.402 3.846 1.00 23.21 H new ATOM 580 N ILE A 36 -7.676 -0.981 -0.804 1.00 52.04 N ATOM 581 CA ILE A 36 -8.193 -1.116 -2.161 1.00 5.22 C ATOM 582 C ILE A 36 -9.548 -0.431 -2.304 1.00 24.32 C ATOM 583 O ILE A 36 -10.361 -0.441 -1.380 1.00 2.15 O ATOM 584 CB ILE A 36 -8.332 -2.595 -2.566 1.00 30.24 C ATOM 585 CG1 ILE A 36 -6.961 -3.275 -2.576 1.00 34.20 C ATOM 586 CG2 ILE A 36 -8.997 -2.711 -3.929 1.00 51.10 C ATOM 587 CD1 ILE A 36 -7.009 -4.737 -2.191 1.00 33.31 C ATOM 0 H ILE A 36 -8.280 -1.373 -0.081 1.00 52.04 H new ATOM 0 HA ILE A 36 -7.473 -0.633 -2.822 1.00 5.22 H new ATOM 0 HB ILE A 36 -8.961 -3.099 -1.833 1.00 30.24 H new ATOM 0 HG12 ILE A 36 -6.526 -3.184 -3.571 1.00 34.20 H new ATOM 0 HG13 ILE A 36 -6.298 -2.748 -1.889 1.00 34.20 H new ATOM 0 HG21 ILE A 36 -9.088 -3.763 -4.201 1.00 51.10 H new ATOM 0 HG22 ILE A 36 -9.988 -2.259 -3.890 1.00 51.10 H new ATOM 0 HG23 ILE A 36 -8.392 -2.194 -4.674 1.00 51.10 H new ATOM 0 HD11 ILE A 36 -6.002 -5.154 -2.220 1.00 33.31 H new ATOM 0 HD12 ILE A 36 -7.414 -4.835 -1.184 1.00 33.31 H new ATOM 0 HD13 ILE A 36 -7.646 -5.277 -2.892 1.00 33.31 H new ATOM 599 N VAL A 37 -9.785 0.161 -3.470 1.00 10.43 N ATOM 600 CA VAL A 37 -11.043 0.849 -3.736 1.00 31.42 C ATOM 601 C VAL A 37 -11.325 0.918 -5.232 1.00 53.54 C ATOM 602 O VAL A 37 -10.404 0.936 -6.049 1.00 0.13 O ATOM 603 CB VAL A 37 -11.036 2.277 -3.159 1.00 24.43 C ATOM 604 CG1 VAL A 37 -11.277 2.247 -1.657 1.00 52.22 C ATOM 605 CG2 VAL A 37 -9.723 2.975 -3.482 1.00 73.43 C ATOM 0 H VAL A 37 -9.123 0.178 -4.246 1.00 10.43 H new ATOM 0 HA VAL A 37 -11.828 0.273 -3.247 1.00 31.42 H new ATOM 0 HB VAL A 37 -11.845 2.842 -3.622 1.00 24.43 H new ATOM 0 HG11 VAL A 37 -11.269 3.265 -1.267 1.00 52.22 H new ATOM 0 HG12 VAL A 37 -12.244 1.788 -1.453 1.00 52.22 H new ATOM 0 HG13 VAL A 37 -10.491 1.667 -1.174 1.00 52.22 H new ATOM 0 HG21 VAL A 37 -9.735 3.983 -3.067 1.00 73.43 H new ATOM 0 HG22 VAL A 37 -8.896 2.413 -3.048 1.00 73.43 H new ATOM 0 HG23 VAL A 37 -9.596 3.029 -4.563 1.00 73.43 H new ATOM 615 N VAL A 38 -12.606 0.959 -5.586 1.00 60.43 N ATOM 616 CA VAL A 38 -13.011 1.028 -6.985 1.00 44.43 C ATOM 617 C VAL A 38 -13.191 2.474 -7.434 1.00 4.31 C ATOM 618 O VAL A 38 -13.715 3.304 -6.691 1.00 63.33 O ATOM 619 CB VAL A 38 -14.323 0.260 -7.229 1.00 61.30 C ATOM 620 CG1 VAL A 38 -15.402 0.726 -6.264 1.00 30.44 C ATOM 621 CG2 VAL A 38 -14.778 0.427 -8.671 1.00 22.30 C ATOM 0 H VAL A 38 -13.381 0.946 -4.923 1.00 60.43 H new ATOM 0 HA VAL A 38 -12.214 0.565 -7.568 1.00 44.43 H new ATOM 0 HB VAL A 38 -14.142 -0.800 -7.050 1.00 61.30 H new ATOM 0 HG11 VAL A 38 -16.322 0.172 -6.452 1.00 30.44 H new ATOM 0 HG12 VAL A 38 -15.075 0.550 -5.239 1.00 30.44 H new ATOM 0 HG13 VAL A 38 -15.584 1.791 -6.408 1.00 30.44 H new ATOM 0 HG21 VAL A 38 -15.707 -0.122 -8.825 1.00 22.30 H new ATOM 0 HG22 VAL A 38 -14.943 1.484 -8.881 1.00 22.30 H new ATOM 0 HG23 VAL A 38 -14.011 0.039 -9.342 1.00 22.30 H new ATOM 631 N GLU A 39 -12.753 2.769 -8.654 1.00 63.41 N ATOM 632 CA GLU A 39 -12.866 4.115 -9.201 1.00 44.43 C ATOM 633 C GLU A 39 -13.977 4.187 -10.245 1.00 3.31 C ATOM 634 O GLU A 39 -14.833 5.070 -10.197 1.00 14.31 O ATOM 635 CB GLU A 39 -11.537 4.550 -9.824 1.00 72.11 C ATOM 636 CG GLU A 39 -10.464 4.879 -8.800 1.00 64.52 C ATOM 637 CD GLU A 39 -10.571 6.298 -8.277 1.00 60.15 C ATOM 638 OE1 GLU A 39 -11.663 6.892 -8.391 1.00 74.34 O ATOM 639 OE2 GLU A 39 -9.562 6.814 -7.754 1.00 5.51 O ATOM 0 H GLU A 39 -12.317 2.094 -9.282 1.00 63.41 H new ATOM 0 HA GLU A 39 -13.115 4.792 -8.383 1.00 44.43 H new ATOM 0 HB2 GLU A 39 -11.174 3.756 -10.476 1.00 72.11 H new ATOM 0 HB3 GLU A 39 -11.709 5.424 -10.452 1.00 72.11 H new ATOM 0 HG2 GLU A 39 -10.538 4.182 -7.965 1.00 64.52 H new ATOM 0 HG3 GLU A 39 -9.482 4.735 -9.250 1.00 64.52 H new ATOM 646 N LYS A 40 -13.956 3.252 -11.188 1.00 65.13 N ATOM 647 CA LYS A 40 -14.960 3.207 -12.244 1.00 70.32 C ATOM 648 C LYS A 40 -15.782 1.924 -12.159 1.00 1.53 C ATOM 649 O LYS A 40 -15.345 0.934 -11.573 1.00 65.45 O ATOM 650 CB LYS A 40 -14.291 3.306 -13.617 1.00 73.11 C ATOM 651 CG LYS A 40 -14.151 4.731 -14.124 1.00 20.12 C ATOM 652 CD LYS A 40 -13.237 5.553 -13.230 1.00 71.25 C ATOM 653 CE LYS A 40 -11.848 4.939 -13.138 1.00 55.13 C ATOM 654 NZ LYS A 40 -10.811 5.959 -12.820 1.00 52.11 N ATOM 0 H LYS A 40 -13.254 2.514 -11.243 1.00 65.13 H new ATOM 0 HA LYS A 40 -15.630 4.057 -12.111 1.00 70.32 H new ATOM 0 HB2 LYS A 40 -13.303 2.849 -13.564 1.00 73.11 H new ATOM 0 HB3 LYS A 40 -14.871 2.728 -14.337 1.00 73.11 H new ATOM 0 HG2 LYS A 40 -13.755 4.720 -15.139 1.00 20.12 H new ATOM 0 HG3 LYS A 40 -15.134 5.200 -14.171 1.00 20.12 H new ATOM 0 HD2 LYS A 40 -13.162 6.568 -13.620 1.00 71.25 H new ATOM 0 HD3 LYS A 40 -13.671 5.625 -12.233 1.00 71.25 H new ATOM 0 HE2 LYS A 40 -11.843 4.165 -12.371 1.00 55.13 H new ATOM 0 HE3 LYS A 40 -11.602 4.453 -14.082 1.00 55.13 H new ATOM 0 HZ1 LYS A 40 -9.904 5.485 -12.633 1.00 52.11 H new ATOM 0 HZ2 LYS A 40 -10.703 6.607 -13.626 1.00 52.11 H new ATOM 0 HZ3 LYS A 40 -11.101 6.498 -11.979 1.00 52.11 H new ATOM 668 N ASP A 41 -16.973 1.950 -12.747 1.00 3.42 N ATOM 669 CA ASP A 41 -17.855 0.789 -12.739 1.00 64.12 C ATOM 670 C ASP A 41 -19.184 1.112 -13.414 1.00 31.31 C ATOM 671 O ASP A 41 -19.839 2.098 -13.079 1.00 23.13 O ATOM 672 CB ASP A 41 -18.098 0.316 -11.305 1.00 62.12 C ATOM 673 CG ASP A 41 -18.239 1.469 -10.331 1.00 51.12 C ATOM 674 OD1 ASP A 41 -18.811 2.509 -10.721 1.00 72.31 O ATOM 675 OD2 ASP A 41 -17.779 1.332 -9.179 1.00 25.31 O ATOM 0 H ASP A 41 -17.350 2.762 -13.235 1.00 3.42 H new ATOM 0 HA ASP A 41 -17.369 -0.010 -13.299 1.00 64.12 H new ATOM 0 HB2 ASP A 41 -19.001 -0.294 -11.275 1.00 62.12 H new ATOM 0 HB3 ASP A 41 -17.272 -0.322 -10.991 1.00 62.12 H new ATOM 680 N GLY A 42 -19.577 0.273 -14.368 1.00 41.12 N ATOM 681 CA GLY A 42 -20.826 0.487 -15.076 1.00 4.11 C ATOM 682 C GLY A 42 -20.709 0.197 -16.559 1.00 64.11 C ATOM 683 O GLY A 42 -21.349 0.854 -17.381 1.00 24.44 O ATOM 0 H GLY A 42 -19.053 -0.551 -14.663 1.00 41.12 H new ATOM 0 HA2 GLY A 42 -21.598 -0.150 -14.644 1.00 4.11 H new ATOM 0 HA3 GLY A 42 -21.148 1.519 -14.935 1.00 4.11 H new ATOM 687 N LYS A 43 -19.887 -0.789 -16.904 1.00 54.04 N ATOM 688 CA LYS A 43 -19.687 -1.166 -18.299 1.00 11.43 C ATOM 689 C LYS A 43 -19.105 -0.004 -19.098 1.00 13.12 C ATOM 690 O LYS A 43 -19.212 1.154 -18.696 1.00 21.13 O ATOM 691 CB LYS A 43 -21.010 -1.615 -18.922 1.00 74.41 C ATOM 692 CG LYS A 43 -21.288 -3.099 -18.755 1.00 61.35 C ATOM 693 CD LYS A 43 -22.304 -3.594 -19.771 1.00 63.25 C ATOM 694 CE LYS A 43 -22.378 -5.113 -19.791 1.00 64.33 C ATOM 695 NZ LYS A 43 -23.755 -5.598 -20.084 1.00 10.24 N ATOM 0 H LYS A 43 -19.349 -1.341 -16.237 1.00 54.04 H new ATOM 0 HA LYS A 43 -18.979 -1.995 -18.328 1.00 11.43 H new ATOM 0 HB2 LYS A 43 -21.825 -1.048 -18.472 1.00 74.41 H new ATOM 0 HB3 LYS A 43 -21.002 -1.373 -19.985 1.00 74.41 H new ATOM 0 HG2 LYS A 43 -20.359 -3.659 -18.866 1.00 61.35 H new ATOM 0 HG3 LYS A 43 -21.657 -3.290 -17.747 1.00 61.35 H new ATOM 0 HD2 LYS A 43 -23.286 -3.184 -19.535 1.00 63.25 H new ATOM 0 HD3 LYS A 43 -22.036 -3.229 -20.762 1.00 63.25 H new ATOM 0 HE2 LYS A 43 -21.689 -5.500 -20.542 1.00 64.33 H new ATOM 0 HE3 LYS A 43 -22.052 -5.505 -18.828 1.00 64.33 H new ATOM 0 HZ1 LYS A 43 -23.826 -6.607 -19.843 1.00 10.24 H new ATOM 0 HZ2 LYS A 43 -24.441 -5.057 -19.519 1.00 10.24 H new ATOM 0 HZ3 LYS A 43 -23.961 -5.469 -21.095 1.00 10.24 H new ATOM 709 N GLY A 44 -18.491 -0.321 -20.233 1.00 63.44 N ATOM 710 CA GLY A 44 -17.903 0.707 -21.071 1.00 43.24 C ATOM 711 C GLY A 44 -16.832 0.161 -21.995 1.00 74.32 C ATOM 712 O GLY A 44 -16.539 0.752 -23.033 1.00 65.54 O ATOM 0 H GLY A 44 -18.390 -1.272 -20.587 1.00 63.44 H new ATOM 0 HA2 GLY A 44 -18.686 1.178 -21.666 1.00 43.24 H new ATOM 0 HA3 GLY A 44 -17.472 1.484 -20.439 1.00 43.24 H new ATOM 716 N ASN A 45 -16.247 -0.970 -21.616 1.00 23.52 N ATOM 717 CA ASN A 45 -15.201 -1.596 -22.417 1.00 44.41 C ATOM 718 C ASN A 45 -13.964 -0.705 -22.488 1.00 52.42 C ATOM 719 O ASN A 45 -13.860 0.288 -21.768 1.00 63.12 O ATOM 720 CB ASN A 45 -15.715 -1.886 -23.828 1.00 74.43 C ATOM 721 CG ASN A 45 -15.191 -3.200 -24.376 1.00 3.41 C ATOM 722 OD1 ASN A 45 -13.985 -3.374 -24.551 1.00 62.40 O ATOM 723 ND2 ASN A 45 -16.097 -4.131 -24.649 1.00 52.34 N ATOM 0 H ASN A 45 -16.479 -1.472 -20.759 1.00 23.52 H new ATOM 0 HA ASN A 45 -14.924 -2.535 -21.938 1.00 44.41 H new ATOM 0 HB2 ASN A 45 -16.805 -1.909 -23.817 1.00 74.43 H new ATOM 0 HB3 ASN A 45 -15.420 -1.075 -24.493 1.00 74.43 H new ATOM 0 HD21 ASN A 45 -15.804 -5.035 -25.020 1.00 52.34 H new ATOM 0 HD22 ASN A 45 -17.086 -3.943 -24.488 1.00 52.34 H new ATOM 730 N ALA A 46 -13.030 -1.066 -23.362 1.00 34.31 N ATOM 731 CA ALA A 46 -11.803 -0.299 -23.529 1.00 44.24 C ATOM 732 C ALA A 46 -12.106 1.148 -23.902 1.00 53.33 C ATOM 733 O ALA A 46 -11.298 2.045 -23.660 1.00 30.44 O ATOM 734 CB ALA A 46 -10.917 -0.943 -24.586 1.00 32.45 C ATOM 0 H ALA A 46 -13.100 -1.885 -23.965 1.00 34.31 H new ATOM 0 HA ALA A 46 -11.273 -0.298 -22.577 1.00 44.24 H new ATOM 0 HB1 ALA A 46 -10.004 -0.359 -24.700 1.00 32.45 H new ATOM 0 HB2 ALA A 46 -10.663 -1.958 -24.279 1.00 32.45 H new ATOM 0 HB3 ALA A 46 -11.449 -0.974 -25.537 1.00 32.45 H new ATOM 740 N ASP A 47 -13.275 1.369 -24.494 1.00 32.13 N ATOM 741 CA ASP A 47 -13.686 2.708 -24.900 1.00 62.11 C ATOM 742 C ASP A 47 -13.596 3.683 -23.730 1.00 24.51 C ATOM 743 O ASP A 47 -13.073 4.787 -23.870 1.00 5.52 O ATOM 744 CB ASP A 47 -15.113 2.682 -25.450 1.00 1.14 C ATOM 745 CG ASP A 47 -15.174 2.180 -26.879 1.00 0.22 C ATOM 746 OD1 ASP A 47 -15.270 0.950 -27.072 1.00 74.04 O ATOM 747 OD2 ASP A 47 -15.126 3.017 -27.804 1.00 13.52 O ATOM 0 H ASP A 47 -13.955 0.638 -24.703 1.00 32.13 H new ATOM 0 HA ASP A 47 -13.009 3.047 -25.684 1.00 62.11 H new ATOM 0 HB2 ASP A 47 -15.731 2.045 -24.818 1.00 1.14 H new ATOM 0 HB3 ASP A 47 -15.536 3.685 -25.402 1.00 1.14 H new ATOM 752 N GLU A 48 -14.110 3.265 -22.577 1.00 60.04 N ATOM 753 CA GLU A 48 -14.089 4.103 -21.384 1.00 63.31 C ATOM 754 C GLU A 48 -12.757 3.971 -20.651 1.00 1.22 C ATOM 755 O GLU A 48 -12.234 4.946 -20.111 1.00 2.22 O ATOM 756 CB GLU A 48 -15.238 3.725 -20.448 1.00 33.41 C ATOM 757 CG GLU A 48 -16.611 3.857 -21.086 1.00 31.44 C ATOM 758 CD GLU A 48 -16.911 5.273 -21.537 1.00 62.23 C ATOM 759 OE1 GLU A 48 -16.432 6.220 -20.880 1.00 25.13 O ATOM 760 OE2 GLU A 48 -17.625 5.433 -22.549 1.00 42.44 O ATOM 0 H GLU A 48 -14.545 2.352 -22.444 1.00 60.04 H new ATOM 0 HA GLU A 48 -14.211 5.140 -21.697 1.00 63.31 H new ATOM 0 HB2 GLU A 48 -15.100 2.697 -20.113 1.00 33.41 H new ATOM 0 HB3 GLU A 48 -15.196 4.357 -19.561 1.00 33.41 H new ATOM 0 HG2 GLU A 48 -16.676 3.186 -21.942 1.00 31.44 H new ATOM 0 HG3 GLU A 48 -17.371 3.538 -20.373 1.00 31.44 H new ATOM 767 N PHE A 49 -12.214 2.758 -20.636 1.00 2.44 N ATOM 768 CA PHE A 49 -10.944 2.498 -19.968 1.00 20.34 C ATOM 769 C PHE A 49 -9.819 3.313 -20.600 1.00 74.51 C ATOM 770 O PHE A 49 -8.845 3.665 -19.936 1.00 3.12 O ATOM 771 CB PHE A 49 -10.607 1.007 -20.031 1.00 63.33 C ATOM 772 CG PHE A 49 -9.449 0.616 -19.158 1.00 45.22 C ATOM 773 CD1 PHE A 49 -8.151 0.674 -19.640 1.00 24.32 C ATOM 774 CD2 PHE A 49 -9.658 0.192 -17.856 1.00 3.42 C ATOM 775 CE1 PHE A 49 -7.083 0.314 -18.839 1.00 13.23 C ATOM 776 CE2 PHE A 49 -8.594 -0.168 -17.050 1.00 12.03 C ATOM 777 CZ PHE A 49 -7.305 -0.106 -17.542 1.00 12.13 C ATOM 0 H PHE A 49 -12.633 1.940 -21.078 1.00 2.44 H new ATOM 0 HA PHE A 49 -11.043 2.798 -18.925 1.00 20.34 H new ATOM 0 HB2 PHE A 49 -11.485 0.432 -19.736 1.00 63.33 H new ATOM 0 HB3 PHE A 49 -10.381 0.737 -21.063 1.00 63.33 H new ATOM 0 HD1 PHE A 49 -7.972 1.004 -20.653 1.00 24.32 H new ATOM 0 HD2 PHE A 49 -10.664 0.142 -17.466 1.00 3.42 H new ATOM 0 HE1 PHE A 49 -6.076 0.361 -19.227 1.00 13.23 H new ATOM 0 HE2 PHE A 49 -8.771 -0.497 -16.037 1.00 12.03 H new ATOM 0 HZ PHE A 49 -6.472 -0.385 -16.914 1.00 12.13 H new ATOM 787 N ARG A 50 -9.963 3.607 -21.888 1.00 45.20 N ATOM 788 CA ARG A 50 -8.959 4.378 -22.611 1.00 41.54 C ATOM 789 C ARG A 50 -9.219 5.876 -22.472 1.00 23.45 C ATOM 790 O ARG A 50 -8.337 6.695 -22.724 1.00 41.43 O ATOM 791 CB ARG A 50 -8.952 3.987 -24.090 1.00 54.23 C ATOM 792 CG ARG A 50 -10.145 4.521 -24.867 1.00 2.41 C ATOM 793 CD ARG A 50 -9.714 5.508 -25.940 1.00 45.35 C ATOM 794 NE ARG A 50 -9.460 6.838 -25.392 1.00 31.22 N ATOM 795 CZ ARG A 50 -10.418 7.723 -25.139 1.00 5.14 C ATOM 796 NH1 ARG A 50 -11.685 7.422 -25.383 1.00 73.41 N ATOM 797 NH2 ARG A 50 -10.108 8.913 -24.639 1.00 64.23 N ATOM 0 H ARG A 50 -10.764 3.323 -22.452 1.00 45.20 H new ATOM 0 HA ARG A 50 -7.984 4.154 -22.178 1.00 41.54 H new ATOM 0 HB2 ARG A 50 -8.035 4.355 -24.550 1.00 54.23 H new ATOM 0 HB3 ARG A 50 -8.934 2.900 -24.170 1.00 54.23 H new ATOM 0 HG2 ARG A 50 -10.681 3.692 -25.328 1.00 2.41 H new ATOM 0 HG3 ARG A 50 -10.839 5.007 -24.181 1.00 2.41 H new ATOM 0 HD2 ARG A 50 -8.813 5.140 -26.430 1.00 45.35 H new ATOM 0 HD3 ARG A 50 -10.488 5.573 -26.704 1.00 45.35 H new ATOM 0 HE ARG A 50 -8.495 7.101 -25.193 1.00 31.22 H new ATOM 0 HH11 ARG A 50 -11.927 6.508 -25.766 1.00 73.41 H new ATOM 0 HH12 ARG A 50 -12.418 8.104 -25.188 1.00 73.41 H new ATOM 0 HH21 ARG A 50 -9.134 9.148 -24.449 1.00 64.23 H new ATOM 0 HH22 ARG A 50 -10.844 9.592 -24.445 1.00 64.23 H new ATOM 811 N GLY A 51 -10.436 6.225 -22.067 1.00 74.43 N ATOM 812 CA GLY A 51 -10.791 7.622 -21.901 1.00 41.15 C ATOM 813 C GLY A 51 -11.105 7.974 -20.461 1.00 20.42 C ATOM 814 O GLY A 51 -11.654 9.039 -20.180 1.00 62.33 O ATOM 0 H GLY A 51 -11.183 5.565 -21.851 1.00 74.43 H new ATOM 0 HA2 GLY A 51 -9.970 8.246 -22.254 1.00 41.15 H new ATOM 0 HA3 GLY A 51 -11.656 7.850 -22.524 1.00 41.15 H new ATOM 818 N ALA A 52 -10.758 7.075 -19.545 1.00 4.40 N ATOM 819 CA ALA A 52 -11.006 7.296 -18.126 1.00 4.43 C ATOM 820 C ALA A 52 -9.715 7.193 -17.320 1.00 42.24 C ATOM 821 O ALA A 52 -9.515 7.927 -16.352 1.00 1.43 O ATOM 822 CB ALA A 52 -12.034 6.301 -17.608 1.00 43.24 C ATOM 0 H ALA A 52 -10.304 6.187 -19.761 1.00 4.40 H new ATOM 0 HA ALA A 52 -11.400 8.305 -18.005 1.00 4.43 H new ATOM 0 HB1 ALA A 52 -12.209 6.478 -16.547 1.00 43.24 H new ATOM 0 HB2 ALA A 52 -12.968 6.425 -18.156 1.00 43.24 H new ATOM 0 HB3 ALA A 52 -11.662 5.286 -17.750 1.00 43.24 H new ATOM 828 N LEU A 53 -8.842 6.278 -17.726 1.00 23.22 N ATOM 829 CA LEU A 53 -7.569 6.078 -17.041 1.00 71.01 C ATOM 830 C LEU A 53 -6.873 7.411 -16.787 1.00 25.14 C ATOM 831 O LEU A 53 -6.983 8.356 -17.567 1.00 55.33 O ATOM 832 CB LEU A 53 -6.661 5.164 -17.866 1.00 53.54 C ATOM 833 CG LEU A 53 -6.070 5.776 -19.137 1.00 52.12 C ATOM 834 CD1 LEU A 53 -7.152 6.475 -19.946 1.00 62.12 C ATOM 835 CD2 LEU A 53 -4.950 6.746 -18.791 1.00 0.00 C ATOM 0 H LEU A 53 -8.992 5.663 -18.526 1.00 23.22 H new ATOM 0 HA LEU A 53 -7.772 5.606 -16.080 1.00 71.01 H new ATOM 0 HB2 LEU A 53 -5.840 4.831 -17.231 1.00 53.54 H new ATOM 0 HB3 LEU A 53 -7.229 4.276 -18.144 1.00 53.54 H new ATOM 0 HG LEU A 53 -5.653 4.972 -19.744 1.00 52.12 H new ATOM 0 HD11 LEU A 53 -6.713 6.904 -20.847 1.00 62.12 H new ATOM 0 HD12 LEU A 53 -7.920 5.754 -20.225 1.00 62.12 H new ATOM 0 HD13 LEU A 53 -7.599 7.268 -19.347 1.00 62.12 H new ATOM 0 HD21 LEU A 53 -4.541 7.172 -19.707 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.342 7.546 -18.163 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.163 6.216 -18.254 1.00 0.00 H new ATOM 847 N PRO A 54 -6.135 7.489 -15.669 1.00 42.41 N ATOM 848 CA PRO A 54 -5.403 8.701 -15.287 1.00 60.22 C ATOM 849 C PRO A 54 -4.218 8.976 -16.206 1.00 43.02 C ATOM 850 O PRO A 54 -3.493 8.059 -16.591 1.00 41.13 O ATOM 851 CB PRO A 54 -4.919 8.390 -13.869 1.00 0.54 C ATOM 852 CG PRO A 54 -4.850 6.904 -13.809 1.00 23.52 C ATOM 853 CD PRO A 54 -5.958 6.401 -14.693 1.00 2.53 C ATOM 0 HA PRO A 54 -6.027 9.592 -15.354 1.00 60.22 H new ATOM 0 HB2 PRO A 54 -3.945 8.839 -13.676 1.00 0.54 H new ATOM 0 HB3 PRO A 54 -5.606 8.785 -13.121 1.00 0.54 H new ATOM 0 HG2 PRO A 54 -3.881 6.544 -14.155 1.00 23.52 H new ATOM 0 HG3 PRO A 54 -4.975 6.549 -12.786 1.00 23.52 H new ATOM 0 HD2 PRO A 54 -5.689 5.464 -15.180 1.00 2.53 H new ATOM 0 HD3 PRO A 54 -6.871 6.216 -14.127 1.00 2.53 H new ATOM 861 N ALA A 55 -4.026 10.244 -16.554 1.00 12.43 N ATOM 862 CA ALA A 55 -2.927 10.640 -17.426 1.00 11.05 C ATOM 863 C ALA A 55 -1.621 10.752 -16.646 1.00 71.52 C ATOM 864 O ALA A 55 -0.536 10.679 -17.221 1.00 71.55 O ATOM 865 CB ALA A 55 -3.248 11.959 -18.114 1.00 24.35 C ATOM 0 H ALA A 55 -4.618 11.015 -16.245 1.00 12.43 H new ATOM 0 HA ALA A 55 -2.802 9.868 -18.185 1.00 11.05 H new ATOM 0 HB1 ALA A 55 -2.419 12.243 -18.762 1.00 24.35 H new ATOM 0 HB2 ALA A 55 -4.153 11.847 -18.711 1.00 24.35 H new ATOM 0 HB3 ALA A 55 -3.402 12.733 -17.362 1.00 24.35 H new ATOM 871 N ASN A 56 -1.734 10.930 -15.334 1.00 22.51 N ATOM 872 CA ASN A 56 -0.561 11.052 -14.476 1.00 1.52 C ATOM 873 C ASN A 56 -0.638 10.076 -13.306 1.00 61.12 C ATOM 874 O ASN A 56 -0.089 10.331 -12.234 1.00 15.21 O ATOM 875 CB ASN A 56 -0.434 12.484 -13.952 1.00 15.42 C ATOM 876 CG ASN A 56 -0.077 13.471 -15.046 1.00 42.24 C ATOM 877 OD1 ASN A 56 0.779 13.198 -15.888 1.00 73.05 O ATOM 878 ND2 ASN A 56 -0.732 14.626 -15.039 1.00 11.23 N ATOM 0 H ASN A 56 -2.625 10.993 -14.842 1.00 22.51 H new ATOM 0 HA ASN A 56 0.320 10.810 -15.071 1.00 1.52 H new ATOM 0 HB2 ASN A 56 -1.374 12.783 -13.489 1.00 15.42 H new ATOM 0 HB3 ASN A 56 0.329 12.517 -13.174 1.00 15.42 H new ATOM 0 HD21 ASN A 56 -0.533 15.329 -15.751 1.00 11.23 H new ATOM 0 HD22 ASN A 56 -1.434 14.810 -14.322 1.00 11.23 H new ATOM 885 N ASP A 57 -1.321 8.957 -13.521 1.00 13.22 N ATOM 886 CA ASP A 57 -1.469 7.941 -12.485 1.00 61.25 C ATOM 887 C ASP A 57 -1.674 6.561 -13.104 1.00 4.34 C ATOM 888 O ASP A 57 -1.623 6.403 -14.324 1.00 11.30 O ATOM 889 CB ASP A 57 -2.645 8.283 -11.569 1.00 71.44 C ATOM 890 CG ASP A 57 -2.229 8.412 -10.117 1.00 52.53 C ATOM 891 OD1 ASP A 57 -1.984 7.370 -9.475 1.00 41.14 O ATOM 892 OD2 ASP A 57 -2.150 9.557 -9.623 1.00 20.44 O ATOM 0 H ASP A 57 -1.781 8.730 -14.403 1.00 13.22 H new ATOM 0 HA ASP A 57 -0.553 7.923 -11.894 1.00 61.25 H new ATOM 0 HB2 ASP A 57 -3.099 9.218 -11.898 1.00 71.44 H new ATOM 0 HB3 ASP A 57 -3.408 7.510 -11.658 1.00 71.44 H new ATOM 897 N CYS A 58 -1.903 5.566 -12.254 1.00 14.40 N ATOM 898 CA CYS A 58 -2.114 4.199 -12.717 1.00 1.14 C ATOM 899 C CYS A 58 -3.463 3.667 -12.245 1.00 54.43 C ATOM 900 O CYS A 58 -4.018 4.143 -11.254 1.00 44.23 O ATOM 901 CB CYS A 58 -0.991 3.290 -12.215 1.00 4.40 C ATOM 902 SG CYS A 58 -0.449 2.054 -13.418 1.00 4.11 S ATOM 0 H CYS A 58 -1.947 5.680 -11.241 1.00 14.40 H new ATOM 0 HA CYS A 58 -2.107 4.206 -13.807 1.00 1.14 H new ATOM 0 HB2 CYS A 58 -0.137 3.907 -11.934 1.00 4.40 H new ATOM 0 HB3 CYS A 58 -1.327 2.780 -11.312 1.00 4.40 H new ATOM 0 HG CYS A 58 0.504 1.336 -12.903 1.00 4.11 H new ATOM 908 N ARG A 59 -3.988 2.679 -12.963 1.00 44.31 N ATOM 909 CA ARG A 59 -5.274 2.085 -12.620 1.00 62.21 C ATOM 910 C ARG A 59 -5.444 0.729 -13.299 1.00 32.34 C ATOM 911 O ARG A 59 -5.041 0.542 -14.447 1.00 11.21 O ATOM 912 CB ARG A 59 -6.416 3.018 -13.027 1.00 63.23 C ATOM 913 CG ARG A 59 -7.303 3.437 -11.867 1.00 10.03 C ATOM 914 CD ARG A 59 -6.912 4.806 -11.332 1.00 64.13 C ATOM 915 NE ARG A 59 -8.079 5.637 -11.050 1.00 4.32 N ATOM 916 CZ ARG A 59 -8.007 6.935 -10.773 1.00 30.52 C ATOM 917 NH1 ARG A 59 -6.831 7.545 -10.742 1.00 4.31 N ATOM 918 NH2 ARG A 59 -9.114 7.624 -10.527 1.00 21.44 N ATOM 0 H ARG A 59 -3.542 2.273 -13.786 1.00 44.31 H new ATOM 0 HA ARG A 59 -5.302 1.938 -11.540 1.00 62.21 H new ATOM 0 HB2 ARG A 59 -5.997 3.910 -13.493 1.00 63.23 H new ATOM 0 HB3 ARG A 59 -7.028 2.522 -13.781 1.00 63.23 H new ATOM 0 HG2 ARG A 59 -8.343 3.456 -12.192 1.00 10.03 H new ATOM 0 HG3 ARG A 59 -7.232 2.699 -11.068 1.00 10.03 H new ATOM 0 HD2 ARG A 59 -6.325 4.685 -10.422 1.00 64.13 H new ATOM 0 HD3 ARG A 59 -6.275 5.311 -12.058 1.00 64.13 H new ATOM 0 HE ARG A 59 -8.999 5.198 -11.066 1.00 4.32 H new ATOM 0 HH11 ARG A 59 -5.978 7.018 -10.931 1.00 4.31 H new ATOM 0 HH12 ARG A 59 -6.779 8.541 -10.529 1.00 4.31 H new ATOM 0 HH21 ARG A 59 -10.021 7.158 -10.550 1.00 21.44 H new ATOM 0 HH22 ARG A 59 -9.058 8.620 -10.314 1.00 21.44 H new ATOM 932 N PHE A 60 -6.044 -0.215 -12.580 1.00 65.34 N ATOM 933 CA PHE A 60 -6.266 -1.555 -13.112 1.00 50.21 C ATOM 934 C PHE A 60 -7.757 -1.831 -13.284 1.00 42.02 C ATOM 935 O PHE A 60 -8.554 -1.579 -12.382 1.00 12.10 O ATOM 936 CB PHE A 60 -5.645 -2.603 -12.187 1.00 30.41 C ATOM 937 CG PHE A 60 -4.748 -2.018 -11.134 1.00 43.13 C ATOM 938 CD1 PHE A 60 -5.273 -1.546 -9.942 1.00 44.52 C ATOM 939 CD2 PHE A 60 -3.379 -1.939 -11.337 1.00 73.52 C ATOM 940 CE1 PHE A 60 -4.450 -1.006 -8.971 1.00 63.53 C ATOM 941 CE2 PHE A 60 -2.551 -1.402 -10.370 1.00 14.12 C ATOM 942 CZ PHE A 60 -3.087 -0.934 -9.186 1.00 13.30 C ATOM 0 H PHE A 60 -6.385 -0.077 -11.629 1.00 65.34 H new ATOM 0 HA PHE A 60 -5.788 -1.615 -14.090 1.00 50.21 H new ATOM 0 HB2 PHE A 60 -6.443 -3.166 -11.702 1.00 30.41 H new ATOM 0 HB3 PHE A 60 -5.074 -3.312 -12.786 1.00 30.41 H new ATOM 0 HD1 PHE A 60 -6.338 -1.600 -9.769 1.00 44.52 H new ATOM 0 HD2 PHE A 60 -2.955 -2.301 -12.262 1.00 73.52 H new ATOM 0 HE1 PHE A 60 -4.872 -0.641 -8.046 1.00 63.53 H new ATOM 0 HE2 PHE A 60 -1.486 -1.348 -10.540 1.00 14.12 H new ATOM 0 HZ PHE A 60 -2.442 -0.512 -8.430 1.00 13.30 H new ATOM 952 N GLY A 61 -8.126 -2.351 -14.451 1.00 44.22 N ATOM 953 CA GLY A 61 -9.519 -2.652 -14.722 1.00 32.12 C ATOM 954 C GLY A 61 -9.773 -4.139 -14.870 1.00 24.20 C ATOM 955 O GLY A 61 -8.960 -4.860 -15.450 1.00 32.24 O ATOM 0 H GLY A 61 -7.484 -2.569 -15.213 1.00 44.22 H new ATOM 0 HA2 GLY A 61 -10.136 -2.260 -13.914 1.00 32.12 H new ATOM 0 HA3 GLY A 61 -9.827 -2.141 -15.634 1.00 32.12 H new ATOM 959 N VAL A 62 -10.902 -4.601 -14.343 1.00 54.14 N ATOM 960 CA VAL A 62 -11.261 -6.012 -14.419 1.00 64.22 C ATOM 961 C VAL A 62 -12.483 -6.222 -15.306 1.00 64.22 C ATOM 962 O VAL A 62 -13.425 -5.430 -15.280 1.00 31.40 O ATOM 963 CB VAL A 62 -11.548 -6.594 -13.022 1.00 63.34 C ATOM 964 CG1 VAL A 62 -10.300 -6.539 -12.154 1.00 31.00 C ATOM 965 CG2 VAL A 62 -12.700 -5.852 -12.363 1.00 2.43 C ATOM 0 H VAL A 62 -11.584 -4.018 -13.858 1.00 54.14 H new ATOM 0 HA VAL A 62 -10.407 -6.532 -14.853 1.00 64.22 H new ATOM 0 HB VAL A 62 -11.837 -7.639 -13.134 1.00 63.34 H new ATOM 0 HG11 VAL A 62 -10.522 -6.954 -11.171 1.00 31.00 H new ATOM 0 HG12 VAL A 62 -9.505 -7.120 -12.622 1.00 31.00 H new ATOM 0 HG13 VAL A 62 -9.977 -5.503 -12.046 1.00 31.00 H new ATOM 0 HG21 VAL A 62 -12.889 -6.276 -11.377 1.00 2.43 H new ATOM 0 HG22 VAL A 62 -12.443 -4.798 -12.261 1.00 2.43 H new ATOM 0 HG23 VAL A 62 -13.595 -5.950 -12.978 1.00 2.43 H new ATOM 975 N TYR A 63 -12.460 -7.294 -16.091 1.00 11.05 N ATOM 976 CA TYR A 63 -13.566 -7.608 -16.988 1.00 3.31 C ATOM 977 C TYR A 63 -13.641 -9.108 -17.256 1.00 43.32 C ATOM 978 O TYR A 63 -12.702 -9.703 -17.787 1.00 13.53 O ATOM 979 CB TYR A 63 -13.410 -6.849 -18.307 1.00 72.52 C ATOM 980 CG TYR A 63 -12.065 -6.178 -18.465 1.00 3.13 C ATOM 981 CD1 TYR A 63 -11.850 -4.889 -17.993 1.00 21.04 C ATOM 982 CD2 TYR A 63 -11.008 -6.833 -19.085 1.00 1.01 C ATOM 983 CE1 TYR A 63 -10.622 -4.271 -18.135 1.00 75.42 C ATOM 984 CE2 TYR A 63 -9.777 -6.224 -19.231 1.00 5.35 C ATOM 985 CZ TYR A 63 -9.589 -4.943 -18.755 1.00 0.25 C ATOM 986 OH TYR A 63 -8.364 -4.332 -18.897 1.00 53.41 O ATOM 0 H TYR A 63 -11.688 -7.960 -16.124 1.00 11.05 H new ATOM 0 HA TYR A 63 -14.493 -7.298 -16.505 1.00 3.31 H new ATOM 0 HB2 TYR A 63 -13.560 -7.542 -19.135 1.00 72.52 H new ATOM 0 HB3 TYR A 63 -14.193 -6.094 -18.377 1.00 72.52 H new ATOM 0 HD1 TYR A 63 -12.657 -4.361 -17.507 1.00 21.04 H new ATOM 0 HD2 TYR A 63 -11.152 -7.836 -19.459 1.00 1.01 H new ATOM 0 HE1 TYR A 63 -10.472 -3.268 -17.763 1.00 75.42 H new ATOM 0 HE2 TYR A 63 -8.966 -6.748 -19.715 1.00 5.35 H new ATOM 0 HH TYR A 63 -7.746 -4.940 -19.354 1.00 53.41 H new ATOM 996 N ASP A 64 -14.764 -9.713 -16.886 1.00 50.42 N ATOM 997 CA ASP A 64 -14.964 -11.143 -17.088 1.00 14.12 C ATOM 998 C ASP A 64 -14.740 -11.523 -18.548 1.00 42.31 C ATOM 999 O ASP A 64 -15.597 -11.286 -19.400 1.00 73.41 O ATOM 1000 CB ASP A 64 -16.374 -11.548 -16.653 1.00 63.44 C ATOM 1001 CG ASP A 64 -16.842 -12.824 -17.325 1.00 70.30 C ATOM 1002 OD1 ASP A 64 -16.545 -13.916 -16.797 1.00 12.25 O ATOM 1003 OD2 ASP A 64 -17.505 -12.731 -18.380 1.00 24.32 O ATOM 0 H ASP A 64 -15.550 -9.235 -16.445 1.00 50.42 H new ATOM 0 HA ASP A 64 -14.236 -11.677 -16.477 1.00 14.12 H new ATOM 0 HB2 ASP A 64 -16.393 -11.682 -15.571 1.00 63.44 H new ATOM 0 HB3 ASP A 64 -17.069 -10.742 -16.887 1.00 63.44 H new ATOM 1008 N CYS A 65 -13.583 -12.111 -18.830 1.00 5.43 N ATOM 1009 CA CYS A 65 -13.244 -12.521 -20.188 1.00 32.52 C ATOM 1010 C CYS A 65 -13.852 -13.882 -20.511 1.00 61.45 C ATOM 1011 O CYS A 65 -13.805 -14.339 -21.653 1.00 14.20 O ATOM 1012 CB CYS A 65 -11.726 -12.572 -20.364 1.00 61.41 C ATOM 1013 SG CYS A 65 -11.093 -11.458 -21.639 1.00 40.14 S ATOM 0 H CYS A 65 -12.864 -12.315 -18.136 1.00 5.43 H new ATOM 0 HA CYS A 65 -13.657 -11.785 -20.878 1.00 32.52 H new ATOM 0 HB2 CYS A 65 -11.252 -12.326 -19.414 1.00 61.41 H new ATOM 0 HB3 CYS A 65 -11.434 -13.593 -20.611 1.00 61.41 H new ATOM 0 HG CYS A 65 -9.800 -11.571 -21.711 1.00 40.14 H new ATOM 1019 N GLY A 66 -14.421 -14.527 -19.497 1.00 61.23 N ATOM 1020 CA GLY A 66 -15.028 -15.831 -19.694 1.00 10.51 C ATOM 1021 C GLY A 66 -14.197 -16.952 -19.104 1.00 22.33 C ATOM 1022 O GLY A 66 -14.726 -17.842 -18.439 1.00 61.10 O ATOM 0 H GLY A 66 -14.473 -14.170 -18.543 1.00 61.23 H new ATOM 0 HA2 GLY A 66 -16.019 -15.840 -19.240 1.00 10.51 H new ATOM 0 HA3 GLY A 66 -15.165 -16.007 -20.761 1.00 10.51 H new ATOM 1026 N ASN A 67 -12.891 -16.911 -19.348 1.00 71.14 N ATOM 1027 CA ASN A 67 -11.985 -17.934 -18.838 1.00 12.31 C ATOM 1028 C ASN A 67 -11.204 -17.416 -17.634 1.00 62.31 C ATOM 1029 O ASN A 67 -10.932 -18.159 -16.690 1.00 45.24 O ATOM 1030 CB ASN A 67 -11.017 -18.380 -19.935 1.00 62.40 C ATOM 1031 CG ASN A 67 -10.170 -19.565 -19.512 1.00 1.05 C ATOM 1032 OD1 ASN A 67 -10.654 -20.695 -19.442 1.00 42.10 O ATOM 1033 ND2 ASN A 67 -8.898 -19.311 -19.226 1.00 12.13 N ATOM 0 H ASN A 67 -12.436 -16.180 -19.896 1.00 71.14 H new ATOM 0 HA ASN A 67 -12.582 -18.789 -18.521 1.00 12.31 H new ATOM 0 HB2 ASN A 67 -11.582 -18.642 -20.830 1.00 62.40 H new ATOM 0 HB3 ASN A 67 -10.365 -17.548 -20.201 1.00 62.40 H new ATOM 0 HD21 ASN A 67 -8.280 -20.068 -18.935 1.00 12.13 H new ATOM 0 HD22 ASN A 67 -8.539 -18.359 -19.298 1.00 12.13 H new ATOM 1040 N LYS A 68 -10.846 -16.137 -17.673 1.00 61.33 N ATOM 1041 CA LYS A 68 -10.097 -15.518 -16.586 1.00 35.01 C ATOM 1042 C LYS A 68 -10.293 -14.005 -16.583 1.00 73.31 C ATOM 1043 O LYS A 68 -10.977 -13.457 -17.448 1.00 62.14 O ATOM 1044 CB LYS A 68 -8.609 -15.850 -16.710 1.00 43.02 C ATOM 1045 CG LYS A 68 -8.076 -15.736 -18.128 1.00 54.21 C ATOM 1046 CD LYS A 68 -7.943 -14.285 -18.558 1.00 43.44 C ATOM 1047 CE LYS A 68 -8.954 -13.928 -19.637 1.00 1.40 C ATOM 1048 NZ LYS A 68 -8.427 -14.198 -21.003 1.00 64.21 N ATOM 0 H LYS A 68 -11.063 -15.508 -18.447 1.00 61.33 H new ATOM 0 HA LYS A 68 -10.474 -15.918 -15.645 1.00 35.01 H new ATOM 0 HB2 LYS A 68 -8.041 -15.182 -16.063 1.00 43.02 H new ATOM 0 HB3 LYS A 68 -8.440 -16.864 -16.348 1.00 43.02 H new ATOM 0 HG2 LYS A 68 -7.105 -16.226 -18.193 1.00 54.21 H new ATOM 0 HG3 LYS A 68 -8.744 -16.260 -18.812 1.00 54.21 H new ATOM 0 HD2 LYS A 68 -8.085 -13.634 -17.695 1.00 43.44 H new ATOM 0 HD3 LYS A 68 -6.934 -14.106 -18.930 1.00 43.44 H new ATOM 0 HE2 LYS A 68 -9.869 -14.500 -19.481 1.00 1.40 H new ATOM 0 HE3 LYS A 68 -9.219 -12.874 -19.552 1.00 1.40 H new ATOM 0 HZ1 LYS A 68 -9.146 -13.942 -21.709 1.00 64.21 H new ATOM 0 HZ2 LYS A 68 -7.568 -13.633 -21.162 1.00 64.21 H new ATOM 0 HZ3 LYS A 68 -8.198 -15.208 -21.093 1.00 64.21 H new ATOM 1062 N ILE A 69 -9.689 -13.337 -15.607 1.00 3.11 N ATOM 1063 CA ILE A 69 -9.795 -11.888 -15.494 1.00 51.53 C ATOM 1064 C ILE A 69 -8.478 -11.210 -15.857 1.00 11.21 C ATOM 1065 O ILE A 69 -7.636 -10.966 -14.993 1.00 33.10 O ATOM 1066 CB ILE A 69 -10.204 -11.462 -14.072 1.00 2.13 C ATOM 1067 CG1 ILE A 69 -11.405 -12.282 -13.596 1.00 2.22 C ATOM 1068 CG2 ILE A 69 -10.523 -9.975 -14.035 1.00 2.21 C ATOM 1069 CD1 ILE A 69 -12.496 -12.413 -14.635 1.00 34.45 C ATOM 0 H ILE A 69 -9.121 -13.776 -14.883 1.00 3.11 H new ATOM 0 HA ILE A 69 -10.568 -11.573 -16.195 1.00 51.53 H new ATOM 0 HB ILE A 69 -9.369 -11.651 -13.398 1.00 2.13 H new ATOM 0 HG12 ILE A 69 -11.065 -13.277 -13.310 1.00 2.22 H new ATOM 0 HG13 ILE A 69 -11.820 -11.818 -12.701 1.00 2.22 H new ATOM 0 HG21 ILE A 69 -10.810 -9.690 -13.023 1.00 2.21 H new ATOM 0 HG22 ILE A 69 -9.643 -9.407 -14.336 1.00 2.21 H new ATOM 0 HG23 ILE A 69 -11.344 -9.762 -14.719 1.00 2.21 H new ATOM 0 HD11 ILE A 69 -13.315 -13.006 -14.229 1.00 34.45 H new ATOM 0 HD12 ILE A 69 -12.863 -11.423 -14.904 1.00 34.45 H new ATOM 0 HD13 ILE A 69 -12.097 -12.905 -15.522 1.00 34.45 H new ATOM 1081 N GLN A 70 -8.308 -10.907 -17.140 1.00 15.21 N ATOM 1082 CA GLN A 70 -7.094 -10.256 -17.616 1.00 41.34 C ATOM 1083 C GLN A 70 -7.164 -8.748 -17.400 1.00 2.34 C ATOM 1084 O GLN A 70 -7.849 -8.036 -18.134 1.00 13.43 O ATOM 1085 CB GLN A 70 -6.875 -10.560 -19.099 1.00 71.14 C ATOM 1086 CG GLN A 70 -5.524 -10.099 -19.622 1.00 53.43 C ATOM 1087 CD GLN A 70 -5.624 -8.849 -20.474 1.00 54.24 C ATOM 1088 OE1 GLN A 70 -6.073 -7.801 -20.009 1.00 52.34 O ATOM 1089 NE2 GLN A 70 -5.205 -8.953 -21.730 1.00 73.12 N ATOM 0 H GLN A 70 -8.996 -11.102 -17.868 1.00 15.21 H new ATOM 0 HA GLN A 70 -6.254 -10.648 -17.043 1.00 41.34 H new ATOM 0 HB2 GLN A 70 -6.970 -11.634 -19.259 1.00 71.14 H new ATOM 0 HB3 GLN A 70 -7.663 -10.080 -19.680 1.00 71.14 H new ATOM 0 HG2 GLN A 70 -4.859 -9.908 -18.780 1.00 53.43 H new ATOM 0 HG3 GLN A 70 -5.074 -10.899 -20.209 1.00 53.43 H new ATOM 0 HE21 GLN A 70 -4.840 -9.841 -22.074 1.00 73.12 H new ATOM 0 HE22 GLN A 70 -5.248 -8.145 -22.351 1.00 73.12 H new ATOM 1098 N PHE A 71 -6.450 -8.267 -16.387 1.00 14.22 N ATOM 1099 CA PHE A 71 -6.433 -6.843 -16.072 1.00 65.02 C ATOM 1100 C PHE A 71 -5.050 -6.248 -16.323 1.00 21.15 C ATOM 1101 O PHE A 71 -4.046 -6.744 -15.810 1.00 12.51 O ATOM 1102 CB PHE A 71 -6.842 -6.616 -14.616 1.00 1.35 C ATOM 1103 CG PHE A 71 -5.846 -7.144 -13.623 1.00 62.45 C ATOM 1104 CD1 PHE A 71 -5.803 -8.495 -13.317 1.00 70.15 C ATOM 1105 CD2 PHE A 71 -4.952 -6.291 -12.997 1.00 42.23 C ATOM 1106 CE1 PHE A 71 -4.888 -8.984 -12.404 1.00 41.13 C ATOM 1107 CE2 PHE A 71 -4.034 -6.774 -12.084 1.00 31.04 C ATOM 1108 CZ PHE A 71 -4.002 -8.123 -11.788 1.00 4.44 C ATOM 0 H PHE A 71 -5.876 -8.842 -15.771 1.00 14.22 H new ATOM 0 HA PHE A 71 -7.149 -6.343 -16.725 1.00 65.02 H new ATOM 0 HB2 PHE A 71 -6.979 -5.548 -14.448 1.00 1.35 H new ATOM 0 HB3 PHE A 71 -7.806 -7.093 -14.440 1.00 1.35 H new ATOM 0 HD1 PHE A 71 -6.492 -9.173 -13.798 1.00 70.15 H new ATOM 0 HD2 PHE A 71 -4.973 -5.236 -13.225 1.00 42.23 H new ATOM 0 HE1 PHE A 71 -4.866 -10.039 -12.173 1.00 41.13 H new ATOM 0 HE2 PHE A 71 -3.343 -6.098 -11.603 1.00 31.04 H new ATOM 0 HZ PHE A 71 -3.285 -8.503 -11.076 1.00 4.44 H new ATOM 1118 N VAL A 72 -5.006 -5.182 -17.115 1.00 44.03 N ATOM 1119 CA VAL A 72 -3.747 -4.518 -17.434 1.00 73.12 C ATOM 1120 C VAL A 72 -3.735 -3.085 -16.915 1.00 1.15 C ATOM 1121 O VAL A 72 -4.781 -2.446 -16.799 1.00 54.52 O ATOM 1122 CB VAL A 72 -3.489 -4.504 -18.953 1.00 31.24 C ATOM 1123 CG1 VAL A 72 -3.793 -5.866 -19.559 1.00 11.24 C ATOM 1124 CG2 VAL A 72 -4.315 -3.417 -19.623 1.00 42.31 C ATOM 0 H VAL A 72 -5.827 -4.759 -17.548 1.00 44.03 H new ATOM 0 HA VAL A 72 -2.956 -5.086 -16.944 1.00 73.12 H new ATOM 0 HB VAL A 72 -2.435 -4.285 -19.123 1.00 31.24 H new ATOM 0 HG11 VAL A 72 -3.605 -5.837 -20.632 1.00 11.24 H new ATOM 0 HG12 VAL A 72 -3.154 -6.620 -19.099 1.00 11.24 H new ATOM 0 HG13 VAL A 72 -4.838 -6.119 -19.380 1.00 11.24 H new ATOM 0 HG21 VAL A 72 -4.121 -3.421 -20.696 1.00 42.31 H new ATOM 0 HG22 VAL A 72 -5.374 -3.603 -19.446 1.00 42.31 H new ATOM 0 HG23 VAL A 72 -4.043 -2.446 -19.209 1.00 42.31 H new ATOM 1134 N LEU A 73 -2.544 -2.585 -16.602 1.00 74.14 N ATOM 1135 CA LEU A 73 -2.395 -1.226 -16.095 1.00 4.41 C ATOM 1136 C LEU A 73 -1.300 -0.480 -16.851 1.00 4.22 C ATOM 1137 O LEU A 73 -0.334 -1.083 -17.319 1.00 50.11 O ATOM 1138 CB LEU A 73 -2.072 -1.251 -14.600 1.00 5.10 C ATOM 1139 CG LEU A 73 -1.190 -2.405 -14.123 1.00 65.53 C ATOM 1140 CD1 LEU A 73 -1.953 -3.719 -14.180 1.00 35.25 C ATOM 1141 CD2 LEU A 73 0.079 -2.488 -14.960 1.00 1.14 C ATOM 0 H LEU A 73 -1.668 -3.101 -16.691 1.00 74.14 H new ATOM 0 HA LEU A 73 -3.338 -0.702 -16.248 1.00 4.41 H new ATOM 0 HB2 LEU A 73 -1.581 -0.313 -14.339 1.00 5.10 H new ATOM 0 HB3 LEU A 73 -3.010 -1.285 -14.046 1.00 5.10 H new ATOM 0 HG LEU A 73 -0.908 -2.216 -13.087 1.00 65.53 H new ATOM 0 HD11 LEU A 73 -1.309 -4.529 -13.837 1.00 35.25 H new ATOM 0 HD12 LEU A 73 -2.832 -3.657 -13.538 1.00 35.25 H new ATOM 0 HD13 LEU A 73 -2.266 -3.914 -15.206 1.00 35.25 H new ATOM 0 HD21 LEU A 73 0.695 -3.315 -14.606 1.00 1.14 H new ATOM 0 HD22 LEU A 73 -0.184 -2.653 -16.005 1.00 1.14 H new ATOM 0 HD23 LEU A 73 0.637 -1.556 -14.869 1.00 1.14 H new ATOM 1153 N TRP A 74 -1.456 0.834 -16.964 1.00 1.12 N ATOM 1154 CA TRP A 74 -0.479 1.663 -17.661 1.00 21.20 C ATOM 1155 C TRP A 74 0.287 2.544 -16.680 1.00 32.41 C ATOM 1156 O TRP A 74 -0.259 3.506 -16.139 1.00 52.23 O ATOM 1157 CB TRP A 74 -1.173 2.532 -18.711 1.00 32.30 C ATOM 1158 CG TRP A 74 -1.817 1.738 -19.807 1.00 60.03 C ATOM 1159 CD1 TRP A 74 -1.436 0.507 -20.260 1.00 50.35 C ATOM 1160 CD2 TRP A 74 -2.953 2.122 -20.589 1.00 74.52 C ATOM 1161 NE1 TRP A 74 -2.267 0.103 -21.277 1.00 73.41 N ATOM 1162 CE2 TRP A 74 -3.207 1.075 -21.497 1.00 61.31 C ATOM 1163 CE3 TRP A 74 -3.783 3.246 -20.609 1.00 43.04 C ATOM 1164 CZ2 TRP A 74 -4.253 1.122 -22.414 1.00 55.21 C ATOM 1165 CZ3 TRP A 74 -4.821 3.292 -21.520 1.00 62.23 C ATOM 1166 CH2 TRP A 74 -5.050 2.235 -22.412 1.00 5.31 C ATOM 0 H TRP A 74 -2.250 1.348 -16.582 1.00 1.12 H new ATOM 0 HA TRP A 74 0.231 1.002 -18.158 1.00 21.20 H new ATOM 0 HB2 TRP A 74 -1.931 3.144 -18.222 1.00 32.30 H new ATOM 0 HB3 TRP A 74 -0.444 3.215 -19.147 1.00 32.30 H new ATOM 0 HD1 TRP A 74 -0.604 -0.065 -19.876 1.00 50.35 H new ATOM 0 HE1 TRP A 74 -2.196 -0.778 -21.786 1.00 73.41 H new ATOM 0 HE3 TRP A 74 -3.616 4.064 -19.924 1.00 43.04 H new ATOM 0 HZ2 TRP A 74 -4.430 0.309 -23.103 1.00 55.21 H new ATOM 0 HZ3 TRP A 74 -5.467 4.157 -21.545 1.00 62.23 H new ATOM 0 HH2 TRP A 74 -5.871 2.300 -23.111 1.00 5.31 H new ATOM 1177 N CYS A 75 1.552 2.209 -16.455 1.00 3.04 N ATOM 1178 CA CYS A 75 2.393 2.970 -15.537 1.00 52.43 C ATOM 1179 C CYS A 75 2.457 4.438 -15.949 1.00 72.40 C ATOM 1180 O CYS A 75 2.751 4.774 -17.096 1.00 72.44 O ATOM 1181 CB CYS A 75 3.802 2.379 -15.494 1.00 23.54 C ATOM 1182 SG CYS A 75 4.040 1.131 -14.206 1.00 53.50 S ATOM 0 H CYS A 75 2.018 1.416 -16.895 1.00 3.04 H new ATOM 0 HA CYS A 75 1.951 2.909 -14.543 1.00 52.43 H new ATOM 0 HB2 CYS A 75 4.027 1.933 -16.463 1.00 23.54 H new ATOM 0 HB3 CYS A 75 4.518 3.186 -15.340 1.00 23.54 H new ATOM 0 HG CYS A 75 5.073 0.398 -14.498 1.00 53.50 H new ATOM 1188 N PRO A 76 2.173 5.334 -14.992 1.00 64.22 N ATOM 1189 CA PRO A 76 2.191 6.780 -15.232 1.00 31.11 C ATOM 1190 C PRO A 76 3.602 7.314 -15.451 1.00 41.22 C ATOM 1191 O PRO A 76 4.547 6.891 -14.784 1.00 53.53 O ATOM 1192 CB PRO A 76 1.593 7.360 -13.947 1.00 63.44 C ATOM 1193 CG PRO A 76 1.873 6.334 -12.903 1.00 50.42 C ATOM 1194 CD PRO A 76 1.815 5.005 -13.602 1.00 73.55 C ATOM 0 HA PRO A 76 1.642 7.050 -16.134 1.00 31.11 H new ATOM 0 HB2 PRO A 76 2.050 8.317 -13.694 1.00 63.44 H new ATOM 0 HB3 PRO A 76 0.522 7.536 -14.053 1.00 63.44 H new ATOM 0 HG2 PRO A 76 2.852 6.495 -12.451 1.00 50.42 H new ATOM 0 HG3 PRO A 76 1.138 6.385 -12.099 1.00 50.42 H new ATOM 0 HD2 PRO A 76 2.513 4.291 -13.166 1.00 73.55 H new ATOM 0 HD3 PRO A 76 0.822 4.560 -13.537 1.00 73.55 H new ATOM 1202 N ASP A 77 3.738 8.245 -16.389 1.00 1.21 N ATOM 1203 CA ASP A 77 5.035 8.839 -16.695 1.00 35.40 C ATOM 1204 C ASP A 77 5.300 10.052 -15.809 1.00 74.20 C ATOM 1205 O ASP A 77 6.329 10.712 -15.936 1.00 45.55 O ATOM 1206 CB ASP A 77 5.099 9.244 -18.168 1.00 71.34 C ATOM 1207 CG ASP A 77 6.104 8.422 -18.952 1.00 33.25 C ATOM 1208 OD1 ASP A 77 7.317 8.556 -18.686 1.00 14.15 O ATOM 1209 OD2 ASP A 77 5.677 7.643 -19.830 1.00 1.53 O ATOM 0 H ASP A 77 2.966 8.605 -16.951 1.00 1.21 H new ATOM 0 HA ASP A 77 5.805 8.093 -16.498 1.00 35.40 H new ATOM 0 HB2 ASP A 77 4.112 9.130 -18.616 1.00 71.34 H new ATOM 0 HB3 ASP A 77 5.362 10.299 -18.240 1.00 71.34 H new ATOM 1214 N ASN A 78 4.362 10.339 -14.912 1.00 1.22 N ATOM 1215 CA ASN A 78 4.494 11.474 -14.006 1.00 13.24 C ATOM 1216 C ASN A 78 5.213 11.066 -12.723 1.00 51.15 C ATOM 1217 O ASN A 78 5.906 11.873 -12.105 1.00 64.10 O ATOM 1218 CB ASN A 78 3.116 12.048 -13.670 1.00 54.10 C ATOM 1219 CG ASN A 78 3.202 13.405 -12.999 1.00 3.14 C ATOM 1220 OD1 ASN A 78 3.558 13.508 -11.825 1.00 23.44 O ATOM 1221 ND2 ASN A 78 2.876 14.455 -13.743 1.00 12.20 N ATOM 0 H ASN A 78 3.503 9.802 -14.793 1.00 1.22 H new ATOM 0 HA ASN A 78 5.087 12.239 -14.507 1.00 13.24 H new ATOM 0 HB2 ASN A 78 2.529 12.135 -14.584 1.00 54.10 H new ATOM 0 HB3 ASN A 78 2.587 11.355 -13.016 1.00 54.10 H new ATOM 0 HD21 ASN A 78 2.915 15.394 -13.346 1.00 12.20 H new ATOM 0 HD22 ASN A 78 2.586 14.323 -14.712 1.00 12.20 H new ATOM 1228 N ALA A 79 5.043 9.808 -12.331 1.00 34.12 N ATOM 1229 CA ALA A 79 5.677 9.292 -11.124 1.00 62.45 C ATOM 1230 C ALA A 79 5.282 7.840 -10.874 1.00 55.31 C ATOM 1231 O ALA A 79 4.502 7.531 -9.973 1.00 32.20 O ATOM 1232 CB ALA A 79 5.312 10.154 -9.926 1.00 4.54 C ATOM 0 H ALA A 79 4.472 9.127 -12.832 1.00 34.12 H new ATOM 0 HA ALA A 79 6.757 9.328 -11.267 1.00 62.45 H new ATOM 0 HB1 ALA A 79 5.793 9.757 -9.032 1.00 4.54 H new ATOM 0 HB2 ALA A 79 5.651 11.176 -10.096 1.00 4.54 H new ATOM 0 HB3 ALA A 79 4.231 10.148 -9.790 1.00 4.54 H new ATOM 1238 N PRO A 80 5.830 6.928 -11.690 1.00 32.42 N ATOM 1239 CA PRO A 80 5.548 5.493 -11.576 1.00 50.51 C ATOM 1240 C PRO A 80 6.158 4.881 -10.320 1.00 72.30 C ATOM 1241 O PRO A 80 5.679 3.864 -9.818 1.00 32.04 O ATOM 1242 CB PRO A 80 6.199 4.904 -12.829 1.00 65.54 C ATOM 1243 CG PRO A 80 7.277 5.868 -13.186 1.00 2.30 C ATOM 1244 CD PRO A 80 6.767 7.225 -12.786 1.00 4.14 C ATOM 0 HA PRO A 80 4.479 5.292 -11.500 1.00 50.51 H new ATOM 0 HB2 PRO A 80 6.605 3.911 -12.635 1.00 65.54 H new ATOM 0 HB3 PRO A 80 5.477 4.800 -13.639 1.00 65.54 H new ATOM 0 HG2 PRO A 80 8.203 5.629 -12.663 1.00 2.30 H new ATOM 0 HG3 PRO A 80 7.495 5.832 -14.253 1.00 2.30 H new ATOM 0 HD2 PRO A 80 7.576 7.877 -12.457 1.00 4.14 H new ATOM 0 HD3 PRO A 80 6.269 7.728 -13.615 1.00 4.14 H new ATOM 1252 N VAL A 81 7.217 5.506 -9.816 1.00 64.15 N ATOM 1253 CA VAL A 81 7.892 5.023 -8.618 1.00 31.34 C ATOM 1254 C VAL A 81 6.899 4.793 -7.484 1.00 23.35 C ATOM 1255 O VAL A 81 7.155 4.009 -6.569 1.00 73.21 O ATOM 1256 CB VAL A 81 8.974 6.012 -8.145 1.00 60.32 C ATOM 1257 CG1 VAL A 81 8.376 7.393 -7.927 1.00 3.22 C ATOM 1258 CG2 VAL A 81 9.642 5.504 -6.876 1.00 71.13 C ATOM 0 H VAL A 81 7.626 6.349 -10.219 1.00 64.15 H new ATOM 0 HA VAL A 81 8.366 4.077 -8.881 1.00 31.34 H new ATOM 0 HB VAL A 81 9.735 6.091 -8.922 1.00 60.32 H new ATOM 0 HG11 VAL A 81 9.155 8.078 -7.593 1.00 3.22 H new ATOM 0 HG12 VAL A 81 7.949 7.756 -8.862 1.00 3.22 H new ATOM 0 HG13 VAL A 81 7.594 7.336 -7.170 1.00 3.22 H new ATOM 0 HG21 VAL A 81 10.404 6.215 -6.556 1.00 71.13 H new ATOM 0 HG22 VAL A 81 8.895 5.395 -6.090 1.00 71.13 H new ATOM 0 HG23 VAL A 81 10.107 4.538 -7.071 1.00 71.13 H new ATOM 1268 N LYS A 82 5.765 5.481 -7.549 1.00 74.02 N ATOM 1269 CA LYS A 82 4.731 5.352 -6.529 1.00 74.43 C ATOM 1270 C LYS A 82 3.875 4.113 -6.776 1.00 0.11 C ATOM 1271 O LYS A 82 3.856 3.174 -5.980 1.00 70.22 O ATOM 1272 CB LYS A 82 3.846 6.600 -6.510 1.00 12.14 C ATOM 1273 CG LYS A 82 4.107 7.512 -5.324 1.00 4.34 C ATOM 1274 CD LYS A 82 5.443 8.226 -5.453 1.00 31.54 C ATOM 1275 CE LYS A 82 5.940 8.725 -4.105 1.00 4.01 C ATOM 1276 NZ LYS A 82 7.367 9.147 -4.162 1.00 43.42 N ATOM 0 H LYS A 82 5.538 6.135 -8.298 1.00 74.02 H new ATOM 0 HA LYS A 82 5.221 5.247 -5.561 1.00 74.43 H new ATOM 0 HB2 LYS A 82 4.004 7.161 -7.431 1.00 12.14 H new ATOM 0 HB3 LYS A 82 2.800 6.293 -6.499 1.00 12.14 H new ATOM 0 HG2 LYS A 82 3.306 8.248 -5.246 1.00 4.34 H new ATOM 0 HG3 LYS A 82 4.093 6.927 -4.404 1.00 4.34 H new ATOM 0 HD2 LYS A 82 6.179 7.548 -5.885 1.00 31.54 H new ATOM 0 HD3 LYS A 82 5.343 9.067 -6.139 1.00 31.54 H new ATOM 0 HE2 LYS A 82 5.326 9.564 -3.779 1.00 4.01 H new ATOM 0 HE3 LYS A 82 5.824 7.937 -3.361 1.00 4.01 H new ATOM 0 HZ1 LYS A 82 7.668 9.481 -3.224 1.00 43.42 H new ATOM 0 HZ2 LYS A 82 7.957 8.339 -4.448 1.00 43.42 H new ATOM 0 HZ3 LYS A 82 7.474 9.916 -4.854 1.00 43.42 H new ATOM 1290 N PRO A 83 3.151 4.108 -7.905 1.00 12.41 N ATOM 1291 CA PRO A 83 2.282 2.990 -8.283 1.00 54.20 C ATOM 1292 C PRO A 83 3.073 1.746 -8.670 1.00 23.42 C ATOM 1293 O PRO A 83 2.847 0.662 -8.131 1.00 1.24 O ATOM 1294 CB PRO A 83 1.513 3.531 -9.491 1.00 15.42 C ATOM 1295 CG PRO A 83 2.400 4.581 -10.065 1.00 53.34 C ATOM 1296 CD PRO A 83 3.125 5.194 -8.899 1.00 40.14 C ATOM 0 HA PRO A 83 1.642 2.675 -7.459 1.00 54.20 H new ATOM 0 HB2 PRO A 83 1.311 2.743 -10.217 1.00 15.42 H new ATOM 0 HB3 PRO A 83 0.550 3.946 -9.194 1.00 15.42 H new ATOM 0 HG2 PRO A 83 3.103 4.151 -10.779 1.00 53.34 H new ATOM 0 HG3 PRO A 83 1.820 5.331 -10.602 1.00 53.34 H new ATOM 0 HD2 PRO A 83 4.131 5.512 -9.173 1.00 40.14 H new ATOM 0 HD3 PRO A 83 2.605 6.074 -8.520 1.00 40.14 H new ATOM 1304 N ARG A 84 4.002 1.908 -9.606 1.00 42.22 N ATOM 1305 CA ARG A 84 4.827 0.797 -10.065 1.00 51.02 C ATOM 1306 C ARG A 84 5.442 0.052 -8.884 1.00 40.20 C ATOM 1307 O ARG A 84 5.789 -1.123 -8.992 1.00 21.52 O ATOM 1308 CB ARG A 84 5.932 1.304 -10.994 1.00 21.23 C ATOM 1309 CG ARG A 84 6.721 0.192 -11.665 1.00 70.33 C ATOM 1310 CD ARG A 84 8.217 0.366 -11.458 1.00 3.42 C ATOM 1311 NE ARG A 84 8.995 -0.565 -12.270 1.00 70.14 N ATOM 1312 CZ ARG A 84 10.320 -0.536 -12.356 1.00 42.34 C ATOM 1313 NH1 ARG A 84 11.012 0.373 -11.683 1.00 14.21 N ATOM 1314 NH2 ARG A 84 10.957 -1.417 -13.117 1.00 74.31 N ATOM 0 H ARG A 84 4.202 2.798 -10.062 1.00 42.22 H new ATOM 0 HA ARG A 84 4.188 0.106 -10.615 1.00 51.02 H new ATOM 0 HB2 ARG A 84 5.487 1.937 -11.762 1.00 21.23 H new ATOM 0 HB3 ARG A 84 6.617 1.930 -10.422 1.00 21.23 H new ATOM 0 HG2 ARG A 84 6.407 -0.771 -11.264 1.00 70.33 H new ATOM 0 HG3 ARG A 84 6.499 0.180 -12.732 1.00 70.33 H new ATOM 0 HD2 ARG A 84 8.501 1.388 -11.707 1.00 3.42 H new ATOM 0 HD3 ARG A 84 8.457 0.216 -10.405 1.00 3.42 H new ATOM 0 HE ARG A 84 8.493 -1.277 -12.801 1.00 70.14 H new ATOM 0 HH11 ARG A 84 10.527 1.053 -11.097 1.00 14.21 H new ATOM 0 HH12 ARG A 84 12.030 0.393 -11.751 1.00 14.21 H new ATOM 0 HH21 ARG A 84 10.429 -2.118 -13.637 1.00 74.31 H new ATOM 0 HH22 ARG A 84 11.975 -1.393 -13.182 1.00 74.31 H new ATOM 1328 N MET A 85 5.574 0.746 -7.758 1.00 21.41 N ATOM 1329 CA MET A 85 6.147 0.149 -6.557 1.00 13.35 C ATOM 1330 C MET A 85 5.067 -0.525 -5.717 1.00 32.43 C ATOM 1331 O MET A 85 5.122 -1.730 -5.466 1.00 4.24 O ATOM 1332 CB MET A 85 6.865 1.214 -5.725 1.00 54.32 C ATOM 1333 CG MET A 85 8.295 1.471 -6.171 1.00 10.11 C ATOM 1334 SD MET A 85 9.410 0.123 -5.737 1.00 24.43 S ATOM 1335 CE MET A 85 10.686 1.011 -4.847 1.00 14.33 C ATOM 0 H MET A 85 5.292 1.721 -7.652 1.00 21.41 H new ATOM 0 HA MET A 85 6.868 -0.608 -6.866 1.00 13.35 H new ATOM 0 HB2 MET A 85 6.303 2.146 -5.780 1.00 54.32 H new ATOM 0 HB3 MET A 85 6.869 0.905 -4.680 1.00 54.32 H new ATOM 0 HG2 MET A 85 8.314 1.620 -7.251 1.00 10.11 H new ATOM 0 HG3 MET A 85 8.653 2.394 -5.716 1.00 10.11 H new ATOM 0 HE1 MET A 85 11.451 0.310 -4.513 1.00 14.33 H new ATOM 0 HE2 MET A 85 11.137 1.755 -5.504 1.00 14.33 H new ATOM 0 HE3 MET A 85 10.247 1.509 -3.982 1.00 14.33 H new ATOM 1345 N THR A 86 4.084 0.258 -5.284 1.00 52.20 N ATOM 1346 CA THR A 86 2.992 -0.263 -4.471 1.00 61.24 C ATOM 1347 C THR A 86 2.255 -1.384 -5.195 1.00 54.12 C ATOM 1348 O THR A 86 2.030 -2.456 -4.634 1.00 22.44 O ATOM 1349 CB THR A 86 1.986 0.844 -4.104 1.00 45.32 C ATOM 1350 OG1 THR A 86 0.869 0.280 -3.408 1.00 4.50 O ATOM 1351 CG2 THR A 86 1.501 1.569 -5.350 1.00 74.14 C ATOM 0 H THR A 86 4.022 1.256 -5.483 1.00 52.20 H new ATOM 0 HA THR A 86 3.438 -0.655 -3.557 1.00 61.24 H new ATOM 0 HB THR A 86 2.490 1.563 -3.458 1.00 45.32 H new ATOM 0 HG1 THR A 86 0.165 0.956 -3.318 1.00 4.50 H new ATOM 0 HG21 THR A 86 0.792 2.346 -5.066 1.00 74.14 H new ATOM 0 HG22 THR A 86 2.350 2.022 -5.861 1.00 74.14 H new ATOM 0 HG23 THR A 86 1.013 0.859 -6.017 1.00 74.14 H new ATOM 1359 N TYR A 87 1.881 -1.129 -6.444 1.00 74.40 N ATOM 1360 CA TYR A 87 1.166 -2.117 -7.244 1.00 64.03 C ATOM 1361 C TYR A 87 1.961 -3.416 -7.343 1.00 14.14 C ATOM 1362 O TYR A 87 1.389 -4.505 -7.375 1.00 32.21 O ATOM 1363 CB TYR A 87 0.891 -1.567 -8.645 1.00 25.11 C ATOM 1364 CG TYR A 87 0.596 -2.639 -9.669 1.00 73.32 C ATOM 1365 CD1 TYR A 87 -0.405 -3.578 -9.451 1.00 70.43 C ATOM 1366 CD2 TYR A 87 1.317 -2.714 -10.854 1.00 64.10 C ATOM 1367 CE1 TYR A 87 -0.678 -4.560 -10.384 1.00 34.31 C ATOM 1368 CE2 TYR A 87 1.050 -3.692 -11.793 1.00 11.52 C ATOM 1369 CZ TYR A 87 0.051 -4.612 -11.553 1.00 63.41 C ATOM 1370 OH TYR A 87 -0.217 -5.589 -12.485 1.00 52.51 O ATOM 0 H TYR A 87 2.061 -0.247 -6.924 1.00 74.40 H new ATOM 0 HA TYR A 87 0.217 -2.329 -6.751 1.00 64.03 H new ATOM 0 HB2 TYR A 87 0.046 -0.880 -8.597 1.00 25.11 H new ATOM 0 HB3 TYR A 87 1.754 -0.989 -8.975 1.00 25.11 H new ATOM 0 HD1 TYR A 87 -0.979 -3.540 -8.537 1.00 70.43 H new ATOM 0 HD2 TYR A 87 2.100 -1.995 -11.045 1.00 64.10 H new ATOM 0 HE1 TYR A 87 -1.458 -5.283 -10.198 1.00 34.31 H new ATOM 0 HE2 TYR A 87 1.620 -3.736 -12.709 1.00 11.52 H new ATOM 0 HH TYR A 87 -1.165 -5.834 -12.438 1.00 52.51 H new ATOM 1380 N ALA A 88 3.283 -3.291 -7.389 1.00 71.22 N ATOM 1381 CA ALA A 88 4.157 -4.454 -7.481 1.00 1.11 C ATOM 1382 C ALA A 88 3.978 -5.372 -6.276 1.00 41.25 C ATOM 1383 O ALA A 88 3.746 -6.571 -6.427 1.00 61.22 O ATOM 1384 CB ALA A 88 5.609 -4.014 -7.601 1.00 31.51 C ATOM 0 H ALA A 88 3.772 -2.396 -7.364 1.00 71.22 H new ATOM 0 HA ALA A 88 3.883 -5.014 -8.375 1.00 1.11 H new ATOM 0 HB1 ALA A 88 6.251 -4.892 -7.669 1.00 31.51 H new ATOM 0 HB2 ALA A 88 5.732 -3.405 -8.496 1.00 31.51 H new ATOM 0 HB3 ALA A 88 5.886 -3.429 -6.724 1.00 31.51 H new ATOM 1390 N SER A 89 4.088 -4.800 -5.081 1.00 61.54 N ATOM 1391 CA SER A 89 3.943 -5.569 -3.851 1.00 13.25 C ATOM 1392 C SER A 89 2.477 -5.658 -3.436 1.00 22.50 C ATOM 1393 O SER A 89 2.152 -6.195 -2.377 1.00 31.10 O ATOM 1394 CB SER A 89 4.764 -4.933 -2.727 1.00 42.04 C ATOM 1395 OG SER A 89 6.153 -5.054 -2.980 1.00 43.24 O ATOM 0 H SER A 89 4.277 -3.808 -4.939 1.00 61.54 H new ATOM 0 HA SER A 89 4.313 -6.577 -4.036 1.00 13.25 H new ATOM 0 HB2 SER A 89 4.499 -3.880 -2.630 1.00 42.04 H new ATOM 0 HB3 SER A 89 4.521 -5.412 -1.779 1.00 42.04 H new ATOM 0 HG SER A 89 6.656 -4.639 -2.249 1.00 43.24 H new ATOM 1401 N SER A 90 1.597 -5.129 -4.279 1.00 52.31 N ATOM 1402 CA SER A 90 0.166 -5.145 -4.000 1.00 14.32 C ATOM 1403 C SER A 90 -0.549 -6.164 -4.882 1.00 43.11 C ATOM 1404 O SER A 90 -1.614 -6.670 -4.529 1.00 70.32 O ATOM 1405 CB SER A 90 -0.434 -3.754 -4.219 1.00 62.32 C ATOM 1406 OG SER A 90 -1.815 -3.738 -3.901 1.00 24.21 O ATOM 0 H SER A 90 1.850 -4.684 -5.161 1.00 52.31 H new ATOM 0 HA SER A 90 0.028 -5.433 -2.958 1.00 14.32 H new ATOM 0 HB2 SER A 90 0.093 -3.026 -3.602 1.00 62.32 H new ATOM 0 HB3 SER A 90 -0.293 -3.453 -5.257 1.00 62.32 H new ATOM 0 HG SER A 90 -2.034 -2.904 -3.435 1.00 24.21 H new ATOM 1412 N LYS A 91 0.046 -6.461 -6.033 1.00 11.42 N ATOM 1413 CA LYS A 91 -0.530 -7.420 -6.967 1.00 55.03 C ATOM 1414 C LYS A 91 -0.798 -8.755 -6.280 1.00 61.44 C ATOM 1415 O LYS A 91 -1.629 -9.542 -6.734 1.00 61.23 O ATOM 1416 CB LYS A 91 0.406 -7.626 -8.160 1.00 75.53 C ATOM 1417 CG LYS A 91 1.537 -8.602 -7.884 1.00 53.12 C ATOM 1418 CD LYS A 91 2.805 -8.208 -8.622 1.00 2.10 C ATOM 1419 CE LYS A 91 4.023 -8.923 -8.057 1.00 43.42 C ATOM 1420 NZ LYS A 91 4.434 -10.075 -8.907 1.00 13.24 N ATOM 0 H LYS A 91 0.928 -6.051 -6.341 1.00 11.42 H new ATOM 0 HA LYS A 91 -1.479 -7.018 -7.323 1.00 55.03 H new ATOM 0 HB2 LYS A 91 -0.175 -7.987 -9.009 1.00 75.53 H new ATOM 0 HB3 LYS A 91 0.830 -6.664 -8.449 1.00 75.53 H new ATOM 0 HG2 LYS A 91 1.735 -8.638 -6.813 1.00 53.12 H new ATOM 0 HG3 LYS A 91 1.235 -9.605 -8.186 1.00 53.12 H new ATOM 0 HD2 LYS A 91 2.700 -8.446 -9.680 1.00 2.10 H new ATOM 0 HD3 LYS A 91 2.949 -7.130 -8.551 1.00 2.10 H new ATOM 0 HE2 LYS A 91 4.851 -8.219 -7.974 1.00 43.42 H new ATOM 0 HE3 LYS A 91 3.802 -9.276 -7.050 1.00 43.42 H new ATOM 0 HZ1 LYS A 91 5.267 -10.536 -8.488 1.00 13.24 H new ATOM 0 HZ2 LYS A 91 3.653 -10.759 -8.966 1.00 13.24 H new ATOM 0 HZ3 LYS A 91 4.669 -9.736 -9.861 1.00 13.24 H new ATOM 1434 N ASP A 92 -0.090 -9.004 -5.184 1.00 50.40 N ATOM 1435 CA ASP A 92 -0.253 -10.243 -4.433 1.00 11.01 C ATOM 1436 C ASP A 92 -1.661 -10.347 -3.855 1.00 51.11 C ATOM 1437 O ASP A 92 -2.131 -11.437 -3.531 1.00 63.32 O ATOM 1438 CB ASP A 92 0.780 -10.322 -3.308 1.00 63.42 C ATOM 1439 CG ASP A 92 1.576 -11.613 -3.343 1.00 13.41 C ATOM 1440 OD1 ASP A 92 0.998 -12.657 -3.712 1.00 52.43 O ATOM 1441 OD2 ASP A 92 2.776 -11.578 -3.001 1.00 62.45 O ATOM 0 H ASP A 92 0.603 -8.364 -4.796 1.00 50.40 H new ATOM 0 HA ASP A 92 -0.098 -11.077 -5.118 1.00 11.01 H new ATOM 0 HB2 ASP A 92 1.462 -9.475 -3.385 1.00 63.42 H new ATOM 0 HB3 ASP A 92 0.273 -10.237 -2.347 1.00 63.42 H new ATOM 1446 N ALA A 93 -2.329 -9.205 -3.728 1.00 2.12 N ATOM 1447 CA ALA A 93 -3.683 -9.168 -3.190 1.00 10.41 C ATOM 1448 C ALA A 93 -4.718 -9.156 -4.310 1.00 33.25 C ATOM 1449 O ALA A 93 -5.566 -10.046 -4.394 1.00 53.51 O ATOM 1450 CB ALA A 93 -3.861 -7.953 -2.292 1.00 2.54 C ATOM 0 H ALA A 93 -1.954 -8.293 -3.990 1.00 2.12 H new ATOM 0 HA ALA A 93 -3.837 -10.070 -2.597 1.00 10.41 H new ATOM 0 HB1 ALA A 93 -4.877 -7.938 -1.897 1.00 2.54 H new ATOM 0 HB2 ALA A 93 -3.151 -8.004 -1.466 1.00 2.54 H new ATOM 0 HB3 ALA A 93 -3.682 -7.045 -2.868 1.00 2.54 H new ATOM 1456 N LEU A 94 -4.644 -8.144 -5.167 1.00 34.03 N ATOM 1457 CA LEU A 94 -5.576 -8.016 -6.282 1.00 32.41 C ATOM 1458 C LEU A 94 -5.735 -9.345 -7.014 1.00 32.35 C ATOM 1459 O LEU A 94 -6.849 -9.845 -7.180 1.00 64.32 O ATOM 1460 CB LEU A 94 -5.093 -6.940 -7.255 1.00 40.13 C ATOM 1461 CG LEU A 94 -5.004 -5.520 -6.695 1.00 40.24 C ATOM 1462 CD1 LEU A 94 -6.068 -5.298 -5.631 1.00 44.13 C ATOM 1463 CD2 LEU A 94 -3.617 -5.256 -6.129 1.00 4.05 C ATOM 0 H LEU A 94 -3.948 -7.400 -5.111 1.00 34.03 H new ATOM 0 HA LEU A 94 -6.547 -7.725 -5.880 1.00 32.41 H new ATOM 0 HB2 LEU A 94 -4.108 -7.227 -7.622 1.00 40.13 H new ATOM 0 HB3 LEU A 94 -5.763 -6.929 -8.115 1.00 40.13 H new ATOM 0 HG LEU A 94 -5.182 -4.817 -7.509 1.00 40.24 H new ATOM 0 HD11 LEU A 94 -5.989 -4.282 -5.244 1.00 44.13 H new ATOM 0 HD12 LEU A 94 -7.056 -5.444 -6.068 1.00 44.13 H new ATOM 0 HD13 LEU A 94 -5.923 -6.008 -4.817 1.00 44.13 H new ATOM 0 HD21 LEU A 94 -3.572 -4.241 -5.735 1.00 4.05 H new ATOM 0 HD22 LEU A 94 -3.410 -5.966 -5.328 1.00 4.05 H new ATOM 0 HD23 LEU A 94 -2.874 -5.372 -6.918 1.00 4.05 H new ATOM 1475 N LEU A 95 -4.615 -9.914 -7.447 1.00 14.25 N ATOM 1476 CA LEU A 95 -4.630 -11.187 -8.159 1.00 5.03 C ATOM 1477 C LEU A 95 -5.317 -12.267 -7.329 1.00 64.24 C ATOM 1478 O LEU A 95 -5.963 -13.164 -7.871 1.00 53.01 O ATOM 1479 CB LEU A 95 -3.202 -11.620 -8.499 1.00 12.55 C ATOM 1480 CG LEU A 95 -2.626 -11.067 -9.803 1.00 2.25 C ATOM 1481 CD1 LEU A 95 -1.121 -11.282 -9.855 1.00 32.04 C ATOM 1482 CD2 LEU A 95 -3.301 -11.716 -11.002 1.00 32.13 C ATOM 0 H LEU A 95 -3.686 -9.514 -7.317 1.00 14.25 H new ATOM 0 HA LEU A 95 -5.192 -11.052 -9.083 1.00 5.03 H new ATOM 0 HB2 LEU A 95 -2.548 -11.320 -7.680 1.00 12.55 H new ATOM 0 HB3 LEU A 95 -3.175 -12.709 -8.546 1.00 12.55 H new ATOM 0 HG LEU A 95 -2.821 -9.995 -9.838 1.00 2.25 H new ATOM 0 HD11 LEU A 95 -0.728 -10.882 -10.790 1.00 32.04 H new ATOM 0 HD12 LEU A 95 -0.651 -10.770 -9.016 1.00 32.04 H new ATOM 0 HD13 LEU A 95 -0.904 -12.349 -9.797 1.00 32.04 H new ATOM 0 HD21 LEU A 95 -2.878 -11.310 -11.921 1.00 32.13 H new ATOM 0 HD22 LEU A 95 -3.138 -12.793 -10.972 1.00 32.13 H new ATOM 0 HD23 LEU A 95 -4.371 -11.510 -10.973 1.00 32.13 H new ATOM 1494 N LYS A 96 -5.174 -12.174 -6.012 1.00 30.34 N ATOM 1495 CA LYS A 96 -5.783 -13.141 -5.106 1.00 12.23 C ATOM 1496 C LYS A 96 -7.240 -12.784 -4.830 1.00 34.33 C ATOM 1497 O LYS A 96 -7.991 -13.584 -4.270 1.00 70.24 O ATOM 1498 CB LYS A 96 -5.004 -13.199 -3.790 1.00 65.41 C ATOM 1499 CG LYS A 96 -3.631 -13.835 -3.925 1.00 23.34 C ATOM 1500 CD LYS A 96 -3.712 -15.205 -4.578 1.00 50.42 C ATOM 1501 CE LYS A 96 -3.436 -15.127 -6.072 1.00 15.50 C ATOM 1502 NZ LYS A 96 -1.996 -15.341 -6.382 1.00 42.42 N ATOM 0 H LYS A 96 -4.641 -11.439 -5.547 1.00 30.34 H new ATOM 0 HA LYS A 96 -5.750 -14.120 -5.584 1.00 12.23 H new ATOM 0 HB2 LYS A 96 -4.890 -12.188 -3.400 1.00 65.41 H new ATOM 0 HB3 LYS A 96 -5.585 -13.760 -3.058 1.00 65.41 H new ATOM 0 HG2 LYS A 96 -2.985 -13.186 -4.517 1.00 23.34 H new ATOM 0 HG3 LYS A 96 -3.173 -13.927 -2.940 1.00 23.34 H new ATOM 0 HD2 LYS A 96 -2.993 -15.876 -4.109 1.00 50.42 H new ATOM 0 HD3 LYS A 96 -4.701 -15.631 -4.411 1.00 50.42 H new ATOM 0 HE2 LYS A 96 -4.034 -15.876 -6.591 1.00 15.50 H new ATOM 0 HE3 LYS A 96 -3.748 -14.153 -6.448 1.00 15.50 H new ATOM 0 HZ1 LYS A 96 -1.849 -15.280 -7.410 1.00 42.42 H new ATOM 0 HZ2 LYS A 96 -1.427 -14.612 -5.907 1.00 42.42 H new ATOM 0 HZ3 LYS A 96 -1.704 -16.281 -6.046 1.00 42.42 H new ATOM 1516 N LYS A 97 -7.635 -11.579 -5.227 1.00 34.35 N ATOM 1517 CA LYS A 97 -9.003 -11.117 -5.025 1.00 35.21 C ATOM 1518 C LYS A 97 -9.884 -11.489 -6.213 1.00 72.24 C ATOM 1519 O LYS A 97 -11.021 -11.933 -6.042 1.00 43.53 O ATOM 1520 CB LYS A 97 -9.026 -9.601 -4.815 1.00 21.53 C ATOM 1521 CG LYS A 97 -9.081 -9.191 -3.353 1.00 43.25 C ATOM 1522 CD LYS A 97 -7.986 -9.865 -2.543 1.00 41.44 C ATOM 1523 CE LYS A 97 -8.564 -10.830 -1.520 1.00 23.10 C ATOM 1524 NZ LYS A 97 -7.499 -11.606 -0.826 1.00 3.30 N ATOM 0 H LYS A 97 -7.027 -10.904 -5.691 1.00 34.35 H new ATOM 0 HA LYS A 97 -9.397 -11.607 -4.135 1.00 35.21 H new ATOM 0 HB2 LYS A 97 -8.138 -9.166 -5.273 1.00 21.53 H new ATOM 0 HB3 LYS A 97 -9.889 -9.184 -5.334 1.00 21.53 H new ATOM 0 HG2 LYS A 97 -8.980 -8.109 -3.274 1.00 43.25 H new ATOM 0 HG3 LYS A 97 -10.055 -9.451 -2.938 1.00 43.25 H new ATOM 0 HD2 LYS A 97 -7.315 -10.402 -3.213 1.00 41.44 H new ATOM 0 HD3 LYS A 97 -7.390 -9.108 -2.034 1.00 41.44 H new ATOM 0 HE2 LYS A 97 -9.146 -10.274 -0.785 1.00 23.10 H new ATOM 0 HE3 LYS A 97 -9.250 -11.517 -2.016 1.00 23.10 H new ATOM 0 HZ1 LYS A 97 -7.903 -12.084 0.005 1.00 3.30 H new ATOM 0 HZ2 LYS A 97 -7.106 -12.316 -1.477 1.00 3.30 H new ATOM 0 HZ3 LYS A 97 -6.743 -10.961 -0.520 1.00 3.30 H new ATOM 1538 N LEU A 98 -9.353 -11.308 -7.417 1.00 42.23 N ATOM 1539 CA LEU A 98 -10.090 -11.626 -8.635 1.00 74.10 C ATOM 1540 C LEU A 98 -10.541 -13.083 -8.633 1.00 74.23 C ATOM 1541 O LEU A 98 -10.347 -13.802 -7.653 1.00 72.41 O ATOM 1542 CB LEU A 98 -9.225 -11.350 -9.866 1.00 11.42 C ATOM 1543 CG LEU A 98 -8.477 -10.016 -9.875 1.00 12.03 C ATOM 1544 CD1 LEU A 98 -7.073 -10.195 -10.431 1.00 31.03 C ATOM 1545 CD2 LEU A 98 -9.245 -8.980 -10.683 1.00 4.44 C ATOM 0 H LEU A 98 -8.414 -10.942 -7.576 1.00 42.23 H new ATOM 0 HA LEU A 98 -10.975 -10.990 -8.671 1.00 74.10 H new ATOM 0 HB2 LEU A 98 -8.495 -12.154 -9.960 1.00 11.42 H new ATOM 0 HB3 LEU A 98 -9.862 -11.393 -10.750 1.00 11.42 H new ATOM 0 HG LEU A 98 -8.396 -9.660 -8.848 1.00 12.03 H new ATOM 0 HD11 LEU A 98 -6.556 -9.235 -10.430 1.00 31.03 H new ATOM 0 HD12 LEU A 98 -6.524 -10.904 -9.811 1.00 31.03 H new ATOM 0 HD13 LEU A 98 -7.131 -10.574 -11.451 1.00 31.03 H new ATOM 0 HD21 LEU A 98 -8.698 -8.037 -10.679 1.00 4.44 H new ATOM 0 HD22 LEU A 98 -9.358 -9.329 -11.709 1.00 4.44 H new ATOM 0 HD23 LEU A 98 -10.230 -8.830 -10.240 1.00 4.44 H new ATOM 1557 N ASP A 99 -11.142 -13.512 -9.738 1.00 32.34 N ATOM 1558 CA ASP A 99 -11.618 -14.885 -9.865 1.00 41.12 C ATOM 1559 C ASP A 99 -11.153 -15.501 -11.181 1.00 55.02 C ATOM 1560 O ASP A 99 -11.711 -15.219 -12.241 1.00 62.21 O ATOM 1561 CB ASP A 99 -13.144 -14.928 -9.778 1.00 73.40 C ATOM 1562 CG ASP A 99 -13.675 -16.339 -9.618 1.00 31.41 C ATOM 1563 OD1 ASP A 99 -13.638 -16.863 -8.484 1.00 53.53 O ATOM 1564 OD2 ASP A 99 -14.128 -16.920 -10.626 1.00 72.40 O ATOM 0 H ASP A 99 -11.311 -12.929 -10.558 1.00 32.34 H new ATOM 0 HA ASP A 99 -11.199 -15.467 -9.044 1.00 41.12 H new ATOM 0 HB2 ASP A 99 -13.474 -14.321 -8.935 1.00 73.40 H new ATOM 0 HB3 ASP A 99 -13.569 -14.483 -10.678 1.00 73.40 H new ATOM 1569 N GLY A 100 -10.127 -16.343 -11.105 1.00 74.31 N ATOM 1570 CA GLY A 100 -9.604 -16.985 -12.297 1.00 54.12 C ATOM 1571 C GLY A 100 -8.520 -16.165 -12.969 1.00 34.35 C ATOM 1572 O GLY A 100 -7.963 -16.576 -13.986 1.00 51.31 O ATOM 0 H GLY A 100 -9.649 -16.592 -10.239 1.00 74.31 H new ATOM 0 HA2 GLY A 100 -9.204 -17.964 -12.033 1.00 54.12 H new ATOM 0 HA3 GLY A 100 -10.418 -17.153 -13.002 1.00 54.12 H new ATOM 1576 N ALA A 101 -8.222 -15.002 -12.399 1.00 23.31 N ATOM 1577 CA ALA A 101 -7.197 -14.123 -12.949 1.00 32.23 C ATOM 1578 C ALA A 101 -5.862 -14.849 -13.077 1.00 73.13 C ATOM 1579 O ALA A 101 -5.385 -15.468 -12.125 1.00 75.14 O ATOM 1580 CB ALA A 101 -7.044 -12.883 -12.080 1.00 74.24 C ATOM 0 H ALA A 101 -8.675 -14.647 -11.557 1.00 23.31 H new ATOM 0 HA ALA A 101 -7.512 -13.818 -13.947 1.00 32.23 H new ATOM 0 HB1 ALA A 101 -6.276 -12.235 -12.502 1.00 74.24 H new ATOM 0 HB2 ALA A 101 -7.991 -12.345 -12.043 1.00 74.24 H new ATOM 0 HB3 ALA A 101 -6.755 -13.179 -11.071 1.00 74.24 H new ATOM 1586 N THR A 102 -5.263 -14.770 -14.261 1.00 65.12 N ATOM 1587 CA THR A 102 -3.983 -15.421 -14.515 1.00 35.01 C ATOM 1588 C THR A 102 -2.879 -14.395 -14.737 1.00 4.52 C ATOM 1589 O THR A 102 -3.070 -13.202 -14.502 1.00 12.12 O ATOM 1590 CB THR A 102 -4.059 -16.350 -15.741 1.00 54.03 C ATOM 1591 OG1 THR A 102 -3.958 -15.581 -16.945 1.00 71.32 O ATOM 1592 CG2 THR A 102 -5.361 -17.137 -15.744 1.00 72.03 C ATOM 0 H THR A 102 -5.643 -14.262 -15.059 1.00 65.12 H new ATOM 0 HA THR A 102 -3.750 -16.016 -13.632 1.00 35.01 H new ATOM 0 HB THR A 102 -3.228 -17.053 -15.688 1.00 54.03 H new ATOM 0 HG1 THR A 102 -4.005 -16.179 -17.720 1.00 71.32 H new ATOM 0 HG21 THR A 102 -5.392 -17.786 -16.619 1.00 72.03 H new ATOM 0 HG22 THR A 102 -5.422 -17.743 -14.840 1.00 72.03 H new ATOM 0 HG23 THR A 102 -6.204 -16.446 -15.775 1.00 72.03 H new ATOM 1600 N ALA A 103 -1.722 -14.866 -15.192 1.00 11.35 N ATOM 1601 CA ALA A 103 -0.587 -13.988 -15.448 1.00 13.32 C ATOM 1602 C ALA A 103 -0.633 -13.432 -16.867 1.00 64.02 C ATOM 1603 O ALA A 103 0.355 -12.892 -17.365 1.00 64.22 O ATOM 1604 CB ALA A 103 0.719 -14.731 -15.211 1.00 41.04 C ATOM 0 H ALA A 103 -1.546 -15.851 -15.391 1.00 11.35 H new ATOM 0 HA ALA A 103 -0.644 -13.148 -14.755 1.00 13.32 H new ATOM 0 HB1 ALA A 103 1.558 -14.063 -15.406 1.00 41.04 H new ATOM 0 HB2 ALA A 103 0.760 -15.073 -14.177 1.00 41.04 H new ATOM 0 HB3 ALA A 103 0.776 -15.590 -15.880 1.00 41.04 H new ATOM 1610 N VAL A 104 -1.786 -13.568 -17.515 1.00 25.44 N ATOM 1611 CA VAL A 104 -1.960 -13.080 -18.877 1.00 43.51 C ATOM 1612 C VAL A 104 -2.082 -11.560 -18.904 1.00 65.15 C ATOM 1613 O VAL A 104 -2.151 -10.952 -19.972 1.00 50.00 O ATOM 1614 CB VAL A 104 -3.206 -13.696 -19.539 1.00 53.44 C ATOM 1615 CG1 VAL A 104 -4.472 -13.219 -18.843 1.00 22.33 C ATOM 1616 CG2 VAL A 104 -3.244 -13.356 -21.022 1.00 31.31 C ATOM 0 H VAL A 104 -2.614 -14.013 -17.118 1.00 25.44 H new ATOM 0 HA VAL A 104 -1.075 -13.381 -19.437 1.00 43.51 H new ATOM 0 HB VAL A 104 -3.151 -14.780 -19.438 1.00 53.44 H new ATOM 0 HG11 VAL A 104 -5.342 -13.665 -19.325 1.00 22.33 H new ATOM 0 HG12 VAL A 104 -4.445 -13.517 -17.795 1.00 22.33 H new ATOM 0 HG13 VAL A 104 -4.537 -12.133 -18.910 1.00 22.33 H new ATOM 0 HG21 VAL A 104 -4.131 -13.799 -21.474 1.00 31.31 H new ATOM 0 HG22 VAL A 104 -3.276 -12.274 -21.146 1.00 31.31 H new ATOM 0 HG23 VAL A 104 -2.352 -13.751 -21.509 1.00 31.31 H new ATOM 1626 N ALA A 105 -2.106 -10.953 -17.723 1.00 13.33 N ATOM 1627 CA ALA A 105 -2.217 -9.504 -17.611 1.00 12.42 C ATOM 1628 C ALA A 105 -1.075 -8.807 -18.343 1.00 61.50 C ATOM 1629 O ALA A 105 -0.138 -9.455 -18.812 1.00 74.54 O ATOM 1630 CB ALA A 105 -2.240 -9.087 -16.148 1.00 30.45 C ATOM 0 H ALA A 105 -2.050 -11.442 -16.830 1.00 13.33 H new ATOM 0 HA ALA A 105 -3.153 -9.200 -18.079 1.00 12.42 H new ATOM 0 HB1 ALA A 105 -2.323 -8.002 -16.080 1.00 30.45 H new ATOM 0 HB2 ALA A 105 -3.094 -9.548 -15.652 1.00 30.45 H new ATOM 0 HB3 ALA A 105 -1.319 -9.411 -15.663 1.00 30.45 H new ATOM 1636 N LEU A 106 -1.158 -7.485 -18.438 1.00 32.11 N ATOM 1637 CA LEU A 106 -0.131 -6.700 -19.114 1.00 70.42 C ATOM 1638 C LEU A 106 0.172 -5.420 -18.343 1.00 1.03 C ATOM 1639 O LEU A 106 -0.718 -4.825 -17.736 1.00 24.14 O ATOM 1640 CB LEU A 106 -0.577 -6.359 -20.537 1.00 43.41 C ATOM 1641 CG LEU A 106 0.506 -6.427 -21.614 1.00 62.24 C ATOM 1642 CD1 LEU A 106 1.569 -5.367 -21.372 1.00 14.55 C ATOM 1643 CD2 LEU A 106 1.133 -7.813 -21.653 1.00 71.41 C ATOM 0 H LEU A 106 -1.926 -6.934 -18.055 1.00 32.11 H new ATOM 0 HA LEU A 106 0.779 -7.299 -19.158 1.00 70.42 H new ATOM 0 HB2 LEU A 106 -1.382 -7.038 -20.817 1.00 43.41 H new ATOM 0 HB3 LEU A 106 -0.995 -5.353 -20.534 1.00 43.41 H new ATOM 0 HG LEU A 106 0.041 -6.232 -22.581 1.00 62.24 H new ATOM 0 HD11 LEU A 106 2.331 -5.432 -22.149 1.00 14.55 H new ATOM 0 HD12 LEU A 106 1.110 -4.379 -21.396 1.00 14.55 H new ATOM 0 HD13 LEU A 106 2.030 -5.530 -20.398 1.00 14.55 H new ATOM 0 HD21 LEU A 106 1.902 -7.843 -22.425 1.00 71.41 H new ATOM 0 HD22 LEU A 106 1.582 -8.037 -20.685 1.00 71.41 H new ATOM 0 HD23 LEU A 106 0.365 -8.554 -21.876 1.00 71.41 H new ATOM 1655 N GLU A 107 1.433 -5.001 -18.373 1.00 64.23 N ATOM 1656 CA GLU A 107 1.853 -3.790 -17.678 1.00 34.24 C ATOM 1657 C GLU A 107 2.880 -3.018 -18.500 1.00 51.04 C ATOM 1658 O GLU A 107 4.074 -3.312 -18.456 1.00 1.34 O ATOM 1659 CB GLU A 107 2.438 -4.139 -16.308 1.00 22.13 C ATOM 1660 CG GLU A 107 3.457 -5.265 -16.350 1.00 62.44 C ATOM 1661 CD GLU A 107 4.660 -4.998 -15.466 1.00 73.11 C ATOM 1662 OE1 GLU A 107 4.477 -4.886 -14.236 1.00 2.13 O ATOM 1663 OE2 GLU A 107 5.782 -4.901 -16.004 1.00 4.32 O ATOM 0 H GLU A 107 2.182 -5.482 -18.871 1.00 64.23 H new ATOM 0 HA GLU A 107 0.975 -3.158 -17.541 1.00 34.24 H new ATOM 0 HB2 GLU A 107 2.908 -3.251 -15.886 1.00 22.13 H new ATOM 0 HB3 GLU A 107 1.626 -4.420 -15.637 1.00 22.13 H new ATOM 0 HG2 GLU A 107 2.980 -6.193 -16.037 1.00 62.44 H new ATOM 0 HG3 GLU A 107 3.791 -5.409 -17.377 1.00 62.44 H new ATOM 1670 N ALA A 108 2.406 -2.030 -19.251 1.00 55.55 N ATOM 1671 CA ALA A 108 3.282 -1.214 -20.083 1.00 53.03 C ATOM 1672 C ALA A 108 2.812 0.236 -20.118 1.00 3.43 C ATOM 1673 O ALA A 108 1.612 0.511 -20.140 1.00 31.33 O ATOM 1674 CB ALA A 108 3.350 -1.782 -21.493 1.00 63.20 C ATOM 0 H ALA A 108 1.420 -1.775 -19.301 1.00 55.55 H new ATOM 0 HA ALA A 108 4.280 -1.235 -19.645 1.00 53.03 H new ATOM 0 HB1 ALA A 108 4.007 -1.163 -22.103 1.00 63.20 H new ATOM 0 HB2 ALA A 108 3.740 -2.799 -21.457 1.00 63.20 H new ATOM 0 HB3 ALA A 108 2.352 -1.791 -21.930 1.00 63.20 H new ATOM 1680 N HIS A 109 3.766 1.162 -20.122 1.00 10.45 N ATOM 1681 CA HIS A 109 3.449 2.586 -20.153 1.00 63.11 C ATOM 1682 C HIS A 109 3.713 3.171 -21.537 1.00 60.55 C ATOM 1683 O HIS A 109 4.859 3.432 -21.902 1.00 54.34 O ATOM 1684 CB HIS A 109 4.271 3.336 -19.105 1.00 5.22 C ATOM 1685 CG HIS A 109 5.734 3.016 -19.149 1.00 32.33 C ATOM 1686 ND1 HIS A 109 6.280 1.908 -18.537 1.00 22.55 N ATOM 1687 CD2 HIS A 109 6.765 3.665 -19.738 1.00 60.33 C ATOM 1688 CE1 HIS A 109 7.584 1.890 -18.746 1.00 64.31 C ATOM 1689 NE2 HIS A 109 7.904 2.945 -19.473 1.00 61.02 N ATOM 0 H HIS A 109 4.764 0.952 -20.104 1.00 10.45 H new ATOM 0 HA HIS A 109 2.390 2.702 -19.924 1.00 63.11 H new ATOM 0 HB2 HIS A 109 4.138 4.408 -19.250 1.00 5.22 H new ATOM 0 HB3 HIS A 109 3.885 3.098 -18.114 1.00 5.22 H new ATOM 0 HD2 HIS A 109 6.704 4.579 -20.310 1.00 60.33 H new ATOM 0 HE1 HIS A 109 8.272 1.140 -18.384 1.00 64.31 H new ATOM 0 HE2 HIS A 109 8.844 3.186 -19.787 1.00 61.02 H new ATOM 1697 N GLU A 110 2.645 3.372 -22.303 1.00 70.51 N ATOM 1698 CA GLU A 110 2.763 3.924 -23.648 1.00 33.44 C ATOM 1699 C GLU A 110 1.420 4.460 -24.135 1.00 72.11 C ATOM 1700 O GLU A 110 0.365 3.929 -23.789 1.00 60.42 O ATOM 1701 CB GLU A 110 3.281 2.859 -24.617 1.00 21.25 C ATOM 1702 CG GLU A 110 2.718 1.472 -24.355 1.00 21.01 C ATOM 1703 CD GLU A 110 2.355 0.739 -25.632 1.00 10.31 C ATOM 1704 OE1 GLU A 110 1.821 1.388 -26.556 1.00 0.11 O ATOM 1705 OE2 GLU A 110 2.604 -0.482 -25.707 1.00 41.13 O ATOM 0 H GLU A 110 1.689 3.161 -22.016 1.00 70.51 H new ATOM 0 HA GLU A 110 3.474 4.750 -23.613 1.00 33.44 H new ATOM 0 HB2 GLU A 110 3.033 3.156 -25.636 1.00 21.25 H new ATOM 0 HB3 GLU A 110 4.368 2.819 -24.552 1.00 21.25 H new ATOM 0 HG2 GLU A 110 3.450 0.886 -23.800 1.00 21.01 H new ATOM 0 HG3 GLU A 110 1.833 1.556 -23.725 1.00 21.01 H new ATOM 1712 N MET A 111 1.468 5.516 -24.940 1.00 1.42 N ATOM 1713 CA MET A 111 0.256 6.125 -25.476 1.00 32.35 C ATOM 1714 C MET A 111 -0.390 5.221 -26.521 1.00 65.12 C ATOM 1715 O MET A 111 -1.611 5.198 -26.667 1.00 21.53 O ATOM 1716 CB MET A 111 0.573 7.489 -26.090 1.00 11.42 C ATOM 1717 CG MET A 111 -0.579 8.079 -26.887 1.00 41.24 C ATOM 1718 SD MET A 111 -0.575 9.882 -26.883 1.00 52.31 S ATOM 1719 CE MET A 111 -2.292 10.225 -27.259 1.00 55.30 C ATOM 0 H MET A 111 2.333 5.968 -25.236 1.00 1.42 H new ATOM 0 HA MET A 111 -0.447 6.260 -24.654 1.00 32.35 H new ATOM 0 HB2 MET A 111 0.846 8.182 -25.294 1.00 11.42 H new ATOM 0 HB3 MET A 111 1.442 7.392 -26.741 1.00 11.42 H new ATOM 0 HG2 MET A 111 -0.525 7.722 -27.915 1.00 41.24 H new ATOM 0 HG3 MET A 111 -1.522 7.721 -26.474 1.00 41.24 H new ATOM 0 HE1 MET A 111 -2.449 11.303 -27.292 1.00 55.30 H new ATOM 0 HE2 MET A 111 -2.546 9.792 -28.226 1.00 55.30 H new ATOM 0 HE3 MET A 111 -2.927 9.789 -26.488 1.00 55.30 H new ATOM 1729 N GLY A 112 0.440 4.478 -27.248 1.00 32.31 N ATOM 1730 CA GLY A 112 -0.069 3.583 -28.271 1.00 40.10 C ATOM 1731 C GLY A 112 -0.927 2.473 -27.696 1.00 42.34 C ATOM 1732 O GLY A 112 -1.637 1.785 -28.430 1.00 12.51 O ATOM 0 H GLY A 112 1.455 4.480 -27.147 1.00 32.31 H new ATOM 0 HA2 GLY A 112 -0.655 4.155 -28.991 1.00 40.10 H new ATOM 0 HA3 GLY A 112 0.768 3.146 -28.816 1.00 40.10 H new ATOM 1736 N ASP A 113 -0.860 2.297 -26.381 1.00 72.14 N ATOM 1737 CA ASP A 113 -1.637 1.262 -25.708 1.00 65.05 C ATOM 1738 C ASP A 113 -3.114 1.637 -25.659 1.00 74.02 C ATOM 1739 O ASP A 113 -3.988 0.772 -25.732 1.00 32.22 O ATOM 1740 CB ASP A 113 -1.107 1.038 -24.291 1.00 60.43 C ATOM 1741 CG ASP A 113 -1.066 -0.430 -23.914 1.00 73.20 C ATOM 1742 OD1 ASP A 113 -2.147 -1.049 -23.824 1.00 62.32 O ATOM 1743 OD2 ASP A 113 0.046 -0.960 -23.708 1.00 1.53 O ATOM 0 H ASP A 113 -0.276 2.857 -25.760 1.00 72.14 H new ATOM 0 HA ASP A 113 -1.535 0.338 -26.276 1.00 65.05 H new ATOM 0 HB2 ASP A 113 -0.105 1.459 -24.210 1.00 60.43 H new ATOM 0 HB3 ASP A 113 -1.737 1.575 -23.582 1.00 60.43 H new ATOM 1748 N LEU A 114 -3.387 2.931 -25.534 1.00 52.03 N ATOM 1749 CA LEU A 114 -4.760 3.421 -25.474 1.00 42.31 C ATOM 1750 C LEU A 114 -5.274 3.772 -26.866 1.00 53.45 C ATOM 1751 O LEU A 114 -6.398 4.249 -27.022 1.00 0.43 O ATOM 1752 CB LEU A 114 -4.845 4.647 -24.562 1.00 70.35 C ATOM 1753 CG LEU A 114 -4.471 5.985 -25.200 1.00 44.13 C ATOM 1754 CD1 LEU A 114 -5.718 6.802 -25.498 1.00 72.03 C ATOM 1755 CD2 LEU A 114 -3.526 6.762 -24.295 1.00 30.35 C ATOM 0 H LEU A 114 -2.676 3.660 -25.472 1.00 52.03 H new ATOM 0 HA LEU A 114 -5.386 2.627 -25.065 1.00 42.31 H new ATOM 0 HB2 LEU A 114 -5.863 4.721 -24.180 1.00 70.35 H new ATOM 0 HB3 LEU A 114 -4.194 4.482 -23.703 1.00 70.35 H new ATOM 0 HG LEU A 114 -3.959 5.786 -26.141 1.00 44.13 H new ATOM 0 HD11 LEU A 114 -5.432 7.751 -25.952 1.00 72.03 H new ATOM 0 HD12 LEU A 114 -6.359 6.250 -26.185 1.00 72.03 H new ATOM 0 HD13 LEU A 114 -6.259 6.992 -24.571 1.00 72.03 H new ATOM 0 HD21 LEU A 114 -3.271 7.712 -24.765 1.00 30.35 H new ATOM 0 HD22 LEU A 114 -4.012 6.950 -23.338 1.00 30.35 H new ATOM 0 HD23 LEU A 114 -2.618 6.181 -24.133 1.00 30.35 H new ATOM 1767 N ALA A 115 -4.445 3.531 -27.876 1.00 62.14 N ATOM 1768 CA ALA A 115 -4.817 3.817 -29.256 1.00 54.51 C ATOM 1769 C ALA A 115 -5.889 2.850 -29.748 1.00 24.02 C ATOM 1770 O ALA A 115 -6.999 3.244 -30.105 1.00 2.50 O ATOM 1771 CB ALA A 115 -3.593 3.755 -30.157 1.00 70.33 C ATOM 0 H ALA A 115 -3.510 3.138 -27.764 1.00 62.14 H new ATOM 0 HA ALA A 115 -5.230 4.825 -29.293 1.00 54.51 H new ATOM 0 HB1 ALA A 115 -3.886 3.971 -31.184 1.00 70.33 H new ATOM 0 HB2 ALA A 115 -2.860 4.491 -29.827 1.00 70.33 H new ATOM 0 HB3 ALA A 115 -3.154 2.759 -30.107 1.00 70.33 H new ATOM 1777 N PRO A 116 -5.551 1.552 -29.768 1.00 44.12 N ATOM 1778 CA PRO A 116 -6.470 0.501 -30.215 1.00 12.54 C ATOM 1779 C PRO A 116 -7.623 0.287 -29.239 1.00 65.12 C ATOM 1780 O PRO A 116 -8.536 -0.495 -29.504 1.00 73.52 O ATOM 1781 CB PRO A 116 -5.583 -0.744 -30.276 1.00 63.22 C ATOM 1782 CG PRO A 116 -4.483 -0.474 -29.309 1.00 4.33 C ATOM 1783 CD PRO A 116 -4.245 1.010 -29.357 1.00 3.35 C ATOM 0 HA PRO A 116 -6.943 0.750 -31.165 1.00 12.54 H new ATOM 0 HB2 PRO A 116 -6.140 -1.640 -30.002 1.00 63.22 H new ATOM 0 HB3 PRO A 116 -5.195 -0.905 -31.282 1.00 63.22 H new ATOM 0 HG2 PRO A 116 -4.760 -0.793 -28.304 1.00 4.33 H new ATOM 0 HG3 PRO A 116 -3.581 -1.023 -29.580 1.00 4.33 H new ATOM 0 HD2 PRO A 116 -3.936 1.399 -28.387 1.00 3.35 H new ATOM 0 HD3 PRO A 116 -3.461 1.268 -30.069 1.00 3.35 H new ATOM 1791 N LEU A 117 -7.574 0.986 -28.111 1.00 30.14 N ATOM 1792 CA LEU A 117 -8.615 0.872 -27.095 1.00 0.21 C ATOM 1793 C LEU A 117 -9.305 -0.486 -27.172 1.00 53.32 C ATOM 1794 O LEU A 117 -8.834 -1.466 -26.596 1.00 75.14 O ATOM 1795 CB LEU A 117 -9.644 1.991 -27.264 1.00 75.12 C ATOM 1796 CG LEU A 117 -9.809 2.543 -28.680 1.00 44.45 C ATOM 1797 CD1 LEU A 117 -11.268 2.500 -29.104 1.00 54.54 C ATOM 1798 CD2 LEU A 117 -9.268 3.964 -28.765 1.00 33.52 C ATOM 0 H LEU A 117 -6.825 1.638 -27.876 1.00 30.14 H new ATOM 0 HA LEU A 117 -8.145 0.964 -26.116 1.00 0.21 H new ATOM 0 HB2 LEU A 117 -10.612 1.622 -26.925 1.00 75.12 H new ATOM 0 HB3 LEU A 117 -9.368 2.814 -26.605 1.00 75.12 H new ATOM 0 HG LEU A 117 -9.236 1.916 -29.363 1.00 44.45 H new ATOM 0 HD11 LEU A 117 -11.365 2.897 -30.114 1.00 54.54 H new ATOM 0 HD12 LEU A 117 -11.623 1.470 -29.083 1.00 54.54 H new ATOM 0 HD13 LEU A 117 -11.864 3.103 -28.419 1.00 54.54 H new ATOM 0 HD21 LEU A 117 -9.394 4.341 -29.780 1.00 33.52 H new ATOM 0 HD22 LEU A 117 -9.813 4.603 -28.070 1.00 33.52 H new ATOM 0 HD23 LEU A 117 -8.209 3.966 -28.506 1.00 33.52 H new ATOM 1810 N ALA A 118 -10.423 -0.536 -27.890 1.00 0.54 N ATOM 1811 CA ALA A 118 -11.176 -1.774 -28.046 1.00 43.10 C ATOM 1812 C ALA A 118 -10.745 -2.523 -29.303 1.00 13.13 C ATOM 1813 O ALA A 118 -10.848 -3.748 -29.372 1.00 63.31 O ATOM 1814 CB ALA A 118 -12.668 -1.482 -28.088 1.00 74.41 C ATOM 0 H ALA A 118 -10.827 0.267 -28.373 1.00 0.54 H new ATOM 0 HA ALA A 118 -10.966 -2.410 -27.186 1.00 43.10 H new ATOM 0 HB1 ALA A 118 -13.218 -2.416 -28.205 1.00 74.41 H new ATOM 0 HB2 ALA A 118 -12.970 -0.996 -27.160 1.00 74.41 H new ATOM 0 HB3 ALA A 118 -12.886 -0.824 -28.929 1.00 74.41 H new TER 1820 ALA A 118