USER MOD reduce.3.24.130724 H: found=0, std=0, add=906, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 905 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 106 THR OG1 : rot 150:sc= 0.729 USER MOD Set 1.2: A 111 HIS :FLIP no HD1:sc= -1.66! F(o=-4,f=-0.93!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HE2:sc= 0.362 K(o=0.36,f=-1.5) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 CYS SG : rot -48:sc= -0.0159 USER MOD Single : A 12 SER OG : rot 180:sc= -0.116 USER MOD Single : A 13 HIS : no HE2:sc= -3.25 K(o=-3.3,f=-9!) USER MOD Single : A 17 LYS NZ :NH3+ -179:sc= 2.47 (180deg=2.43) USER MOD Single : A 18 HIS : no HE2:sc= -0.995 K(o=-0.99,f=-4!) USER MOD Single : A 19 SER OG : rot -35:sc= 1.24 USER MOD Single : A 20 GLN : amide:sc=-0.00293 X(o=-0.0029,f=-0.0076) USER MOD Single : A 21 SER OG : rot 109:sc= 1.21 USER MOD Single : A 25 SER OG : rot -69:sc= 1.27 USER MOD Single : A 26 SER OG : rot 180:sc= 1.1 USER MOD Single : A 29 GLN : amide:sc= -0.109 K(o=-0.11,f=-0.74) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0329 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.161 USER MOD Single : A 36 LYS NZ :NH3+ -149:sc= -0.0235 (180deg=-2.22!) USER MOD Single : A 44 ASN : amide:sc= 0.839 K(o=0.84,f=0) USER MOD Single : A 46 TYR OH : rot -60:sc= 0.0744 USER MOD Single : A 48 GLN : amide:sc= -0.295 X(o=-0.29,f=-0.15) USER MOD Single : A 49 LYS NZ :NH3+ -167:sc= -0.0125 (180deg=-0.177) USER MOD Single : A 51 LYS NZ :NH3+ 145:sc= 1.2 (180deg=1.06) USER MOD Single : A 52 SER OG : rot 81:sc= 1.24 USER MOD Single : A 59 SER OG : rot -143:sc= 1.26 USER MOD Single : A 62 SER OG : rot -36:sc= 1.25 USER MOD Single : A 63 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 65 SER OG : rot -132:sc= 2.1 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.795! C(o=-0.8!,f=-4.4!) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0.0299 X(o=0.03,f=-0.013) USER MOD Single : A 86 LYS NZ :NH3+ 161:sc= -0.126 (180deg=-0.529) USER MOD Single : A 92 SER OG : rot -81:sc= 1.27 USER MOD Single : A 97 THR OG1 : rot -68:sc= 1.29 USER MOD Single : A 100 MET CE :methyl -174:sc= -1.24 (180deg=-1.36) USER MOD Single : A 101 SER OG : rot 160:sc= -1.06 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 116 THR OG1 : rot -155:sc= 0.642 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.165 -21.017 8.387 1.00 70.30 N ATOM 2 CA GLY A 1 3.657 -22.015 7.413 1.00 75.41 C ATOM 3 C GLY A 1 4.867 -22.764 7.927 1.00 32.33 C ATOM 4 O GLY A 1 4.815 -23.373 9.001 1.00 40.41 O ATOM 0 H1 GLY A 1 2.336 -20.528 7.994 1.00 70.30 H new ATOM 0 H2 GLY A 1 2.898 -21.496 9.270 1.00 70.30 H new ATOM 0 H3 GLY A 1 3.915 -20.324 8.583 1.00 70.30 H new ATOM 0 HA2 GLY A 1 2.861 -22.725 7.188 1.00 75.41 H new ATOM 0 HA3 GLY A 1 3.911 -21.514 6.479 1.00 75.41 H new ATOM 10 N SER A 2 5.958 -22.727 7.171 1.00 21.44 N ATOM 11 CA SER A 2 7.181 -23.408 7.566 1.00 43.51 C ATOM 12 C SER A 2 7.894 -22.621 8.664 1.00 23.53 C ATOM 13 O SER A 2 8.249 -23.168 9.708 1.00 52.14 O ATOM 14 CB SER A 2 8.109 -23.573 6.360 1.00 55.34 C ATOM 15 OG SER A 2 7.388 -23.995 5.211 1.00 32.11 O ATOM 0 H SER A 2 6.019 -22.232 6.281 1.00 21.44 H new ATOM 0 HA SER A 2 6.919 -24.394 7.950 1.00 43.51 H new ATOM 0 HB2 SER A 2 8.610 -22.628 6.151 1.00 55.34 H new ATOM 0 HB3 SER A 2 8.886 -24.301 6.593 1.00 55.34 H new ATOM 0 HG SER A 2 8.004 -24.091 4.455 1.00 32.11 H new ATOM 21 N HIS A 3 8.085 -21.334 8.422 1.00 53.32 N ATOM 22 CA HIS A 3 8.756 -20.454 9.373 1.00 72.23 C ATOM 23 C HIS A 3 8.298 -19.025 9.165 1.00 40.12 C ATOM 24 O HIS A 3 7.770 -18.694 8.104 1.00 13.51 O ATOM 25 CB HIS A 3 10.288 -20.539 9.218 1.00 65.30 C ATOM 26 CG HIS A 3 10.799 -20.182 7.845 1.00 34.42 C ATOM 27 ND1 HIS A 3 11.100 -18.891 7.457 1.00 32.14 N ATOM 28 CD2 HIS A 3 11.064 -20.963 6.770 1.00 14.30 C ATOM 29 CE1 HIS A 3 11.524 -18.898 6.208 1.00 13.22 C ATOM 30 NE2 HIS A 3 11.512 -20.140 5.770 1.00 54.23 N ATOM 0 H HIS A 3 7.782 -20.869 7.566 1.00 53.32 H new ATOM 0 HA HIS A 3 8.494 -20.777 10.381 1.00 72.23 H new ATOM 0 HB2 HIS A 3 10.752 -19.876 9.948 1.00 65.30 H new ATOM 0 HB3 HIS A 3 10.609 -21.552 9.459 1.00 65.30 H new ATOM 0 HD1 HIS A 3 11.009 -18.062 8.044 1.00 32.14 H new ATOM 0 HD2 HIS A 3 10.944 -22.035 6.712 1.00 14.30 H new ATOM 0 HE1 HIS A 3 11.829 -18.031 5.640 1.00 13.22 H new ATOM 39 N MET A 4 8.497 -18.182 10.168 1.00 54.34 N ATOM 40 CA MET A 4 8.124 -16.779 10.062 1.00 40.13 C ATOM 41 C MET A 4 8.897 -16.134 8.922 1.00 0.42 C ATOM 42 O MET A 4 10.106 -16.370 8.775 1.00 72.11 O ATOM 43 CB MET A 4 8.392 -16.038 11.377 1.00 14.32 C ATOM 44 CG MET A 4 7.940 -14.583 11.365 1.00 50.32 C ATOM 45 SD MET A 4 8.346 -13.710 12.890 1.00 13.12 S ATOM 46 CE MET A 4 7.623 -12.102 12.554 1.00 72.21 C ATOM 0 H MET A 4 8.913 -18.444 11.062 1.00 54.34 H new ATOM 0 HA MET A 4 7.056 -16.715 9.856 1.00 40.13 H new ATOM 0 HB2 MET A 4 7.884 -16.560 12.188 1.00 14.32 H new ATOM 0 HB3 MET A 4 9.460 -16.075 11.594 1.00 14.32 H new ATOM 0 HG2 MET A 4 8.406 -14.070 10.524 1.00 50.32 H new ATOM 0 HG3 MET A 4 6.862 -14.544 11.206 1.00 50.32 H new ATOM 0 HE1 MET A 4 7.790 -11.443 13.406 1.00 72.21 H new ATOM 0 HE2 MET A 4 8.088 -11.672 11.667 1.00 72.21 H new ATOM 0 HE3 MET A 4 6.552 -12.213 12.385 1.00 72.21 H new ATOM 56 N GLU A 5 8.196 -15.337 8.122 1.00 73.12 N ATOM 57 CA GLU A 5 8.766 -14.698 6.938 1.00 14.12 C ATOM 58 C GLU A 5 9.190 -15.742 5.904 1.00 63.33 C ATOM 59 O GLU A 5 10.362 -16.114 5.822 1.00 73.45 O ATOM 60 CB GLU A 5 9.937 -13.775 7.291 1.00 3.00 C ATOM 61 CG GLU A 5 9.536 -12.530 8.062 1.00 31.31 C ATOM 62 CD GLU A 5 10.701 -11.600 8.295 1.00 5.11 C ATOM 63 OE1 GLU A 5 11.369 -11.223 7.313 1.00 21.12 O ATOM 64 OE2 GLU A 5 10.969 -11.251 9.464 1.00 3.40 O ATOM 0 H GLU A 5 7.213 -15.114 8.276 1.00 73.12 H new ATOM 0 HA GLU A 5 7.984 -14.077 6.501 1.00 14.12 H new ATOM 0 HB2 GLU A 5 10.663 -14.336 7.880 1.00 3.00 H new ATOM 0 HB3 GLU A 5 10.438 -13.474 6.371 1.00 3.00 H new ATOM 0 HG2 GLU A 5 8.756 -12.001 7.514 1.00 31.31 H new ATOM 0 HG3 GLU A 5 9.109 -12.822 9.022 1.00 31.31 H new ATOM 71 N PRO A 6 8.220 -16.258 5.130 1.00 75.53 N ATOM 72 CA PRO A 6 8.470 -17.258 4.086 1.00 72.23 C ATOM 73 C PRO A 6 9.244 -16.679 2.902 1.00 65.10 C ATOM 74 O PRO A 6 9.640 -15.512 2.910 1.00 1.04 O ATOM 75 CB PRO A 6 7.055 -17.672 3.632 1.00 1.34 C ATOM 76 CG PRO A 6 6.138 -17.145 4.680 1.00 34.31 C ATOM 77 CD PRO A 6 6.800 -15.921 5.224 1.00 32.44 C ATOM 0 HA PRO A 6 9.076 -18.084 4.459 1.00 72.23 H new ATOM 0 HB2 PRO A 6 6.817 -17.253 2.654 1.00 1.34 H new ATOM 0 HB3 PRO A 6 6.971 -18.755 3.544 1.00 1.34 H new ATOM 0 HG2 PRO A 6 5.161 -16.907 4.260 1.00 34.31 H new ATOM 0 HG3 PRO A 6 5.976 -17.884 5.465 1.00 34.31 H new ATOM 0 HD2 PRO A 6 6.554 -15.034 4.640 1.00 32.44 H new ATOM 0 HD3 PRO A 6 6.498 -15.720 6.252 1.00 32.44 H new ATOM 85 N ALA A 7 9.450 -17.496 1.887 1.00 12.44 N ATOM 86 CA ALA A 7 10.155 -17.066 0.696 1.00 44.42 C ATOM 87 C ALA A 7 9.228 -16.271 -0.211 1.00 71.45 C ATOM 88 O ALA A 7 9.658 -15.343 -0.903 1.00 42.04 O ATOM 89 CB ALA A 7 10.725 -18.267 -0.043 1.00 13.11 C ATOM 0 H ALA A 7 9.137 -18.467 1.864 1.00 12.44 H new ATOM 0 HA ALA A 7 10.981 -16.420 0.994 1.00 44.42 H new ATOM 0 HB1 ALA A 7 11.252 -17.929 -0.935 1.00 13.11 H new ATOM 0 HB2 ALA A 7 11.419 -18.799 0.608 1.00 13.11 H new ATOM 0 HB3 ALA A 7 9.914 -18.935 -0.332 1.00 13.11 H new ATOM 95 N ARG A 8 7.955 -16.645 -0.206 1.00 55.23 N ATOM 96 CA ARG A 8 6.945 -15.972 -1.006 1.00 23.12 C ATOM 97 C ARG A 8 5.677 -15.778 -0.185 1.00 41.13 C ATOM 98 O ARG A 8 5.163 -16.730 0.402 1.00 1.02 O ATOM 99 CB ARG A 8 6.625 -16.781 -2.273 1.00 45.44 C ATOM 100 CG ARG A 8 7.839 -17.080 -3.140 1.00 72.32 C ATOM 101 CD ARG A 8 7.449 -17.757 -4.442 1.00 13.15 C ATOM 102 NE ARG A 8 6.628 -16.884 -5.287 1.00 52.32 N ATOM 103 CZ ARG A 8 7.028 -16.365 -6.450 1.00 74.31 C ATOM 104 NH1 ARG A 8 8.242 -16.630 -6.925 1.00 0.14 N ATOM 105 NH2 ARG A 8 6.208 -15.583 -7.138 1.00 42.03 N ATOM 0 H ARG A 8 7.596 -17.421 0.351 1.00 55.23 H new ATOM 0 HA ARG A 8 7.335 -14.999 -1.305 1.00 23.12 H new ATOM 0 HB2 ARG A 8 6.158 -17.722 -1.982 1.00 45.44 H new ATOM 0 HB3 ARG A 8 5.894 -16.233 -2.867 1.00 45.44 H new ATOM 0 HG2 ARG A 8 8.368 -16.152 -3.357 1.00 72.32 H new ATOM 0 HG3 ARG A 8 8.530 -17.720 -2.590 1.00 72.32 H new ATOM 0 HD2 ARG A 8 8.349 -18.046 -4.985 1.00 13.15 H new ATOM 0 HD3 ARG A 8 6.900 -18.673 -4.225 1.00 13.15 H new ATOM 0 HE ARG A 8 5.687 -16.658 -4.964 1.00 52.32 H new ATOM 0 HH11 ARG A 8 8.875 -17.234 -6.400 1.00 0.14 H new ATOM 0 HH12 ARG A 8 8.540 -16.230 -7.814 1.00 0.14 H new ATOM 0 HH21 ARG A 8 5.275 -15.380 -6.778 1.00 42.03 H new ATOM 0 HH22 ARG A 8 6.510 -15.184 -8.027 1.00 42.03 H new ATOM 119 N VAL A 9 5.178 -14.555 -0.137 1.00 5.10 N ATOM 120 CA VAL A 9 3.973 -14.260 0.633 1.00 22.11 C ATOM 121 C VAL A 9 2.908 -13.616 -0.229 1.00 44.20 C ATOM 122 O VAL A 9 3.209 -13.025 -1.270 1.00 31.33 O ATOM 123 CB VAL A 9 4.260 -13.329 1.840 1.00 62.21 C ATOM 124 CG1 VAL A 9 5.199 -13.992 2.823 1.00 43.32 C ATOM 125 CG2 VAL A 9 4.822 -11.989 1.376 1.00 1.23 C ATOM 0 H VAL A 9 5.583 -13.752 -0.618 1.00 5.10 H new ATOM 0 HA VAL A 9 3.615 -15.220 1.004 1.00 22.11 H new ATOM 0 HB VAL A 9 3.314 -13.141 2.348 1.00 62.21 H new ATOM 0 HG11 VAL A 9 5.384 -13.319 3.660 1.00 43.32 H new ATOM 0 HG12 VAL A 9 4.749 -14.914 3.192 1.00 43.32 H new ATOM 0 HG13 VAL A 9 6.142 -14.222 2.327 1.00 43.32 H new ATOM 0 HG21 VAL A 9 5.014 -11.356 2.242 1.00 1.23 H new ATOM 0 HG22 VAL A 9 5.753 -12.153 0.833 1.00 1.23 H new ATOM 0 HG23 VAL A 9 4.101 -11.499 0.721 1.00 1.23 H new ATOM 135 N ARG A 10 1.665 -13.744 0.201 1.00 35.24 N ATOM 136 CA ARG A 10 0.551 -13.118 -0.477 1.00 3.44 C ATOM 137 C ARG A 10 0.056 -11.934 0.336 1.00 15.41 C ATOM 138 O ARG A 10 -0.297 -12.079 1.512 1.00 23.23 O ATOM 139 CB ARG A 10 -0.601 -14.106 -0.690 1.00 22.43 C ATOM 140 CG ARG A 10 -1.830 -13.450 -1.298 1.00 64.33 C ATOM 141 CD ARG A 10 -3.029 -14.376 -1.345 1.00 22.52 C ATOM 142 NE ARG A 10 -4.222 -13.662 -1.809 1.00 60.22 N ATOM 143 CZ ARG A 10 -5.477 -14.087 -1.659 1.00 42.32 C ATOM 144 NH1 ARG A 10 -5.731 -15.255 -1.073 1.00 52.30 N ATOM 145 NH2 ARG A 10 -6.476 -13.337 -2.106 1.00 42.34 N ATOM 0 H ARG A 10 1.403 -14.283 1.027 1.00 35.24 H new ATOM 0 HA ARG A 10 0.898 -12.781 -1.454 1.00 3.44 H new ATOM 0 HB2 ARG A 10 -0.266 -14.914 -1.340 1.00 22.43 H new ATOM 0 HB3 ARG A 10 -0.870 -14.556 0.266 1.00 22.43 H new ATOM 0 HG2 ARG A 10 -2.085 -12.562 -0.720 1.00 64.33 H new ATOM 0 HG3 ARG A 10 -1.595 -13.116 -2.309 1.00 64.33 H new ATOM 0 HD2 ARG A 10 -2.820 -15.214 -2.010 1.00 22.52 H new ATOM 0 HD3 ARG A 10 -3.211 -14.792 -0.354 1.00 22.52 H new ATOM 0 HE ARG A 10 -4.081 -12.770 -2.284 1.00 60.22 H new ATOM 0 HH11 ARG A 10 -4.962 -15.833 -0.734 1.00 52.30 H new ATOM 0 HH12 ARG A 10 -6.694 -15.571 -0.963 1.00 52.30 H new ATOM 0 HH21 ARG A 10 -6.280 -12.445 -2.559 1.00 42.34 H new ATOM 0 HH22 ARG A 10 -7.440 -13.653 -1.996 1.00 42.34 H new ATOM 159 N CYS A 11 0.034 -10.772 -0.276 1.00 44.43 N ATOM 160 CA CYS A 11 -0.426 -9.580 0.393 1.00 32.00 C ATOM 161 C CYS A 11 -1.006 -8.596 -0.608 1.00 70.22 C ATOM 162 O CYS A 11 -0.694 -8.647 -1.795 1.00 0.13 O ATOM 163 CB CYS A 11 0.717 -8.935 1.188 1.00 31.43 C ATOM 164 SG CYS A 11 2.180 -8.536 0.208 1.00 14.23 S ATOM 0 H CYS A 11 0.331 -10.628 -1.241 1.00 44.43 H new ATOM 0 HA CYS A 11 -1.214 -9.859 1.092 1.00 32.00 H new ATOM 0 HB2 CYS A 11 0.348 -8.022 1.654 1.00 31.43 H new ATOM 0 HB3 CYS A 11 1.008 -9.609 1.994 1.00 31.43 H new ATOM 0 HG CYS A 11 2.510 -9.563 -0.517 1.00 14.23 H new ATOM 170 N SER A 12 -1.859 -7.726 -0.134 1.00 13.13 N ATOM 171 CA SER A 12 -2.463 -6.718 -0.968 1.00 21.21 C ATOM 172 C SER A 12 -1.710 -5.399 -0.783 1.00 14.40 C ATOM 173 O SER A 12 -1.137 -5.153 0.286 1.00 61.30 O ATOM 174 CB SER A 12 -3.934 -6.546 -0.587 1.00 65.12 C ATOM 175 OG SER A 12 -4.603 -7.801 -0.516 1.00 13.14 O ATOM 0 H SER A 12 -2.155 -7.696 0.842 1.00 13.13 H new ATOM 0 HA SER A 12 -2.407 -7.021 -2.014 1.00 21.21 H new ATOM 0 HB2 SER A 12 -4.005 -6.039 0.375 1.00 65.12 H new ATOM 0 HB3 SER A 12 -4.429 -5.909 -1.320 1.00 65.12 H new ATOM 0 HG SER A 12 -5.541 -7.658 -0.269 1.00 13.14 H new ATOM 181 N HIS A 13 -1.704 -4.554 -1.804 1.00 33.53 N ATOM 182 CA HIS A 13 -0.979 -3.295 -1.713 1.00 25.04 C ATOM 183 C HIS A 13 -1.821 -2.106 -2.182 1.00 2.14 C ATOM 184 O HIS A 13 -2.635 -2.227 -3.094 1.00 61.02 O ATOM 185 CB HIS A 13 0.378 -3.362 -2.475 1.00 24.24 C ATOM 186 CG HIS A 13 0.298 -3.471 -3.991 1.00 51.20 C ATOM 187 ND1 HIS A 13 1.414 -3.416 -4.801 1.00 42.14 N ATOM 188 CD2 HIS A 13 -0.757 -3.608 -4.835 1.00 71.32 C ATOM 189 CE1 HIS A 13 1.048 -3.509 -6.063 1.00 3.20 C ATOM 190 NE2 HIS A 13 -0.264 -3.625 -6.116 1.00 0.23 N ATOM 0 H HIS A 13 -2.184 -4.713 -2.690 1.00 33.53 H new ATOM 0 HA HIS A 13 -0.761 -3.134 -0.657 1.00 25.04 H new ATOM 0 HB2 HIS A 13 0.954 -2.470 -2.226 1.00 24.24 H new ATOM 0 HB3 HIS A 13 0.939 -4.218 -2.100 1.00 24.24 H new ATOM 0 HD1 HIS A 13 2.375 -3.318 -4.473 1.00 42.14 H new ATOM 0 HD2 HIS A 13 -1.796 -3.689 -4.550 1.00 71.32 H new ATOM 0 HE1 HIS A 13 1.713 -3.493 -6.914 1.00 3.20 H new ATOM 199 N LEU A 14 -1.632 -0.977 -1.528 1.00 44.23 N ATOM 200 CA LEU A 14 -2.311 0.254 -1.894 1.00 5.04 C ATOM 201 C LEU A 14 -1.263 1.346 -2.094 1.00 1.45 C ATOM 202 O LEU A 14 -0.379 1.514 -1.267 1.00 40.31 O ATOM 203 CB LEU A 14 -3.315 0.646 -0.791 1.00 74.43 C ATOM 204 CG LEU A 14 -4.459 1.588 -1.200 1.00 72.13 C ATOM 205 CD1 LEU A 14 -5.561 1.561 -0.154 1.00 64.23 C ATOM 206 CD2 LEU A 14 -3.962 3.010 -1.384 1.00 22.54 C ATOM 0 H LEU A 14 -1.005 -0.885 -0.729 1.00 44.23 H new ATOM 0 HA LEU A 14 -2.868 0.119 -2.821 1.00 5.04 H new ATOM 0 HB2 LEU A 14 -3.754 -0.268 -0.390 1.00 74.43 H new ATOM 0 HB3 LEU A 14 -2.761 1.116 0.021 1.00 74.43 H new ATOM 0 HG LEU A 14 -4.855 1.237 -2.153 1.00 72.13 H new ATOM 0 HD11 LEU A 14 -6.365 2.232 -0.455 1.00 64.23 H new ATOM 0 HD12 LEU A 14 -5.950 0.547 -0.062 1.00 64.23 H new ATOM 0 HD13 LEU A 14 -5.159 1.884 0.806 1.00 64.23 H new ATOM 0 HD21 LEU A 14 -4.794 3.652 -1.673 1.00 22.54 H new ATOM 0 HD22 LEU A 14 -3.534 3.370 -0.448 1.00 22.54 H new ATOM 0 HD23 LEU A 14 -3.200 3.031 -2.163 1.00 22.54 H new ATOM 218 N LEU A 15 -1.346 2.053 -3.201 1.00 63.15 N ATOM 219 CA LEU A 15 -0.379 3.086 -3.533 1.00 11.34 C ATOM 220 C LEU A 15 -0.997 4.470 -3.479 1.00 63.01 C ATOM 221 O LEU A 15 -1.803 4.833 -4.331 1.00 33.33 O ATOM 222 CB LEU A 15 0.202 2.837 -4.932 1.00 32.33 C ATOM 223 CG LEU A 15 1.067 3.960 -5.516 1.00 42.43 C ATOM 224 CD1 LEU A 15 2.323 4.169 -4.687 1.00 63.23 C ATOM 225 CD2 LEU A 15 1.421 3.657 -6.963 1.00 23.40 C ATOM 0 H LEU A 15 -2.082 1.931 -3.896 1.00 63.15 H new ATOM 0 HA LEU A 15 0.418 3.041 -2.790 1.00 11.34 H new ATOM 0 HB2 LEU A 15 0.800 1.927 -4.897 1.00 32.33 H new ATOM 0 HB3 LEU A 15 -0.624 2.649 -5.618 1.00 32.33 H new ATOM 0 HG LEU A 15 0.490 4.885 -5.487 1.00 42.43 H new ATOM 0 HD11 LEU A 15 2.918 4.971 -5.124 1.00 63.23 H new ATOM 0 HD12 LEU A 15 2.046 4.437 -3.667 1.00 63.23 H new ATOM 0 HD13 LEU A 15 2.908 3.249 -4.674 1.00 63.23 H new ATOM 0 HD21 LEU A 15 2.035 4.463 -7.364 1.00 23.40 H new ATOM 0 HD22 LEU A 15 1.975 2.719 -7.013 1.00 23.40 H new ATOM 0 HD23 LEU A 15 0.507 3.571 -7.551 1.00 23.40 H new ATOM 237 N VAL A 16 -0.619 5.231 -2.481 1.00 32.45 N ATOM 238 CA VAL A 16 -1.065 6.597 -2.362 1.00 50.31 C ATOM 239 C VAL A 16 0.040 7.521 -2.840 1.00 65.24 C ATOM 240 O VAL A 16 1.099 7.639 -2.203 1.00 22.22 O ATOM 241 CB VAL A 16 -1.463 6.954 -0.913 1.00 5.32 C ATOM 242 CG1 VAL A 16 -1.845 8.425 -0.803 1.00 31.13 C ATOM 243 CG2 VAL A 16 -2.612 6.078 -0.450 1.00 2.54 C ATOM 0 H VAL A 16 0.002 4.923 -1.733 1.00 32.45 H new ATOM 0 HA VAL A 16 -1.955 6.720 -2.979 1.00 50.31 H new ATOM 0 HB VAL A 16 -0.602 6.774 -0.269 1.00 5.32 H new ATOM 0 HG11 VAL A 16 -2.122 8.653 0.226 1.00 31.13 H new ATOM 0 HG12 VAL A 16 -0.997 9.044 -1.097 1.00 31.13 H new ATOM 0 HG13 VAL A 16 -2.690 8.632 -1.460 1.00 31.13 H new ATOM 0 HG21 VAL A 16 -2.881 6.341 0.573 1.00 2.54 H new ATOM 0 HG22 VAL A 16 -3.472 6.231 -1.102 1.00 2.54 H new ATOM 0 HG23 VAL A 16 -2.310 5.031 -0.488 1.00 2.54 H new ATOM 253 N LYS A 17 -0.186 8.145 -3.974 1.00 33.42 N ATOM 254 CA LYS A 17 0.798 9.022 -4.563 1.00 61.32 C ATOM 255 C LYS A 17 0.699 10.418 -3.967 1.00 5.12 C ATOM 256 O LYS A 17 -0.247 10.732 -3.239 1.00 22.04 O ATOM 257 CB LYS A 17 0.630 9.062 -6.080 1.00 51.34 C ATOM 258 CG LYS A 17 0.539 7.681 -6.708 1.00 55.35 C ATOM 259 CD LYS A 17 0.318 7.748 -8.208 1.00 44.43 C ATOM 260 CE LYS A 17 1.599 8.047 -8.961 1.00 44.04 C ATOM 261 NZ LYS A 17 1.406 7.915 -10.425 1.00 71.52 N ATOM 0 H LYS A 17 -1.050 8.060 -4.510 1.00 33.42 H new ATOM 0 HA LYS A 17 1.791 8.632 -4.338 1.00 61.32 H new ATOM 0 HB2 LYS A 17 -0.270 9.626 -6.325 1.00 51.34 H new ATOM 0 HB3 LYS A 17 1.471 9.599 -6.518 1.00 51.34 H new ATOM 0 HG2 LYS A 17 1.456 7.129 -6.502 1.00 55.35 H new ATOM 0 HG3 LYS A 17 -0.278 7.127 -6.246 1.00 55.35 H new ATOM 0 HD2 LYS A 17 -0.094 6.801 -8.556 1.00 44.43 H new ATOM 0 HD3 LYS A 17 -0.421 8.518 -8.431 1.00 44.43 H new ATOM 0 HE2 LYS A 17 1.934 9.057 -8.726 1.00 44.04 H new ATOM 0 HE3 LYS A 17 2.384 7.366 -8.633 1.00 44.04 H new ATOM 0 HZ1 LYS A 17 2.304 8.109 -10.912 1.00 71.52 H new ATOM 0 HZ2 LYS A 17 1.093 6.949 -10.648 1.00 71.52 H new ATOM 0 HZ3 LYS A 17 0.686 8.595 -10.743 1.00 71.52 H new ATOM 275 N HIS A 18 1.671 11.247 -4.278 1.00 15.32 N ATOM 276 CA HIS A 18 1.746 12.589 -3.724 1.00 75.43 C ATOM 277 C HIS A 18 2.457 13.527 -4.681 1.00 14.40 C ATOM 278 O HIS A 18 3.066 13.076 -5.649 1.00 24.34 O ATOM 279 CB HIS A 18 2.456 12.576 -2.348 1.00 71.43 C ATOM 280 CG HIS A 18 3.482 11.484 -2.178 1.00 13.41 C ATOM 281 ND1 HIS A 18 4.647 11.410 -2.909 1.00 3.50 N ATOM 282 CD2 HIS A 18 3.490 10.402 -1.362 1.00 53.40 C ATOM 283 CE1 HIS A 18 5.320 10.334 -2.553 1.00 21.11 C ATOM 284 NE2 HIS A 18 4.642 9.706 -1.616 1.00 11.34 N ATOM 0 H HIS A 18 2.430 11.015 -4.919 1.00 15.32 H new ATOM 0 HA HIS A 18 0.729 12.953 -3.581 1.00 75.43 H new ATOM 0 HB2 HIS A 18 2.943 13.540 -2.196 1.00 71.43 H new ATOM 0 HB3 HIS A 18 1.703 12.473 -1.567 1.00 71.43 H new ATOM 0 HD1 HIS A 18 4.943 12.083 -3.616 1.00 3.50 H new ATOM 0 HD2 HIS A 18 2.728 10.137 -0.644 1.00 53.40 H new ATOM 0 HE1 HIS A 18 6.269 10.020 -2.962 1.00 21.11 H new ATOM 293 N SER A 19 2.375 14.829 -4.398 1.00 52.34 N ATOM 294 CA SER A 19 3.006 15.862 -5.226 1.00 21.34 C ATOM 295 C SER A 19 4.500 15.591 -5.407 1.00 3.40 C ATOM 296 O SER A 19 5.053 15.793 -6.491 1.00 35.43 O ATOM 297 CB SER A 19 2.795 17.233 -4.590 1.00 3.31 C ATOM 298 OG SER A 19 1.426 17.438 -4.283 1.00 43.43 O ATOM 0 H SER A 19 1.871 15.197 -3.591 1.00 52.34 H new ATOM 0 HA SER A 19 2.540 15.843 -6.211 1.00 21.34 H new ATOM 0 HB2 SER A 19 3.392 17.314 -3.682 1.00 3.31 H new ATOM 0 HB3 SER A 19 3.141 18.012 -5.270 1.00 3.31 H new ATOM 0 HG SER A 19 0.870 17.019 -4.972 1.00 43.43 H new ATOM 304 N GLN A 20 5.144 15.138 -4.342 1.00 60.24 N ATOM 305 CA GLN A 20 6.553 14.794 -4.395 1.00 25.32 C ATOM 306 C GLN A 20 6.717 13.412 -5.014 1.00 54.40 C ATOM 307 O GLN A 20 6.821 12.412 -4.307 1.00 15.15 O ATOM 308 CB GLN A 20 7.165 14.820 -2.989 1.00 51.00 C ATOM 309 CG GLN A 20 6.982 16.142 -2.261 1.00 32.34 C ATOM 310 CD GLN A 20 7.713 17.285 -2.930 1.00 35.22 C ATOM 311 OE1 GLN A 20 7.177 17.949 -3.814 1.00 43.51 O ATOM 312 NE2 GLN A 20 8.934 17.529 -2.506 1.00 5.41 N ATOM 0 H GLN A 20 4.710 15.000 -3.429 1.00 60.24 H new ATOM 0 HA GLN A 20 7.074 15.528 -5.009 1.00 25.32 H new ATOM 0 HB2 GLN A 20 6.717 14.024 -2.394 1.00 51.00 H new ATOM 0 HB3 GLN A 20 8.230 14.602 -3.063 1.00 51.00 H new ATOM 0 HG2 GLN A 20 5.919 16.378 -2.207 1.00 32.34 H new ATOM 0 HG3 GLN A 20 7.338 16.039 -1.236 1.00 32.34 H new ATOM 0 HE21 GLN A 20 9.343 16.954 -1.769 1.00 5.41 H new ATOM 0 HE22 GLN A 20 9.472 18.294 -2.914 1.00 5.41 H new ATOM 321 N SER A 21 6.682 13.358 -6.327 1.00 12.01 N ATOM 322 CA SER A 21 6.793 12.107 -7.044 1.00 71.30 C ATOM 323 C SER A 21 7.204 12.374 -8.479 1.00 4.41 C ATOM 324 O SER A 21 7.122 13.509 -8.952 1.00 42.31 O ATOM 325 CB SER A 21 5.445 11.363 -7.007 1.00 22.10 C ATOM 326 OG SER A 21 5.531 10.086 -7.622 1.00 13.11 O ATOM 0 H SER A 21 6.576 14.177 -6.926 1.00 12.01 H new ATOM 0 HA SER A 21 7.552 11.485 -6.569 1.00 71.30 H new ATOM 0 HB2 SER A 21 5.122 11.247 -5.972 1.00 22.10 H new ATOM 0 HB3 SER A 21 4.686 11.960 -7.513 1.00 22.10 H new ATOM 0 HG SER A 21 5.484 9.388 -6.935 1.00 13.11 H new ATOM 332 N ARG A 22 7.644 11.334 -9.166 1.00 24.40 N ATOM 333 CA ARG A 22 8.048 11.444 -10.559 1.00 72.32 C ATOM 334 C ARG A 22 6.842 11.740 -11.442 1.00 65.52 C ATOM 335 O ARG A 22 6.976 12.292 -12.530 1.00 74.43 O ATOM 336 CB ARG A 22 8.733 10.154 -11.013 1.00 22.12 C ATOM 337 CG ARG A 22 7.838 8.924 -10.960 1.00 70.25 C ATOM 338 CD ARG A 22 8.645 7.651 -11.102 1.00 21.05 C ATOM 339 NE ARG A 22 9.600 7.499 -10.006 1.00 34.20 N ATOM 340 CZ ARG A 22 10.169 6.351 -9.653 1.00 33.22 C ATOM 341 NH1 ARG A 22 9.876 5.231 -10.306 1.00 12.21 N ATOM 342 NH2 ARG A 22 11.030 6.324 -8.643 1.00 5.42 N ATOM 0 H ARG A 22 7.731 10.395 -8.778 1.00 24.40 H new ATOM 0 HA ARG A 22 8.755 12.269 -10.652 1.00 72.32 H new ATOM 0 HB2 ARG A 22 9.092 10.286 -12.034 1.00 22.12 H new ATOM 0 HB3 ARG A 22 9.609 9.980 -10.387 1.00 22.12 H new ATOM 0 HG2 ARG A 22 7.293 8.908 -10.016 1.00 70.25 H new ATOM 0 HG3 ARG A 22 7.095 8.977 -11.756 1.00 70.25 H new ATOM 0 HD2 ARG A 22 7.973 6.793 -11.122 1.00 21.05 H new ATOM 0 HD3 ARG A 22 9.178 7.661 -12.052 1.00 21.05 H new ATOM 0 HE ARG A 22 9.847 8.333 -9.474 1.00 34.20 H new ATOM 0 HH11 ARG A 22 9.213 5.251 -11.081 1.00 12.21 H new ATOM 0 HH12 ARG A 22 10.315 4.352 -10.033 1.00 12.21 H new ATOM 0 HH21 ARG A 22 11.253 7.183 -8.140 1.00 5.42 H new ATOM 0 HH22 ARG A 22 11.468 5.444 -8.370 1.00 5.42 H new ATOM 356 N ARG A 23 5.667 11.368 -10.961 1.00 21.02 N ATOM 357 CA ARG A 23 4.435 11.595 -11.684 1.00 62.24 C ATOM 358 C ARG A 23 3.288 11.825 -10.705 1.00 22.22 C ATOM 359 O ARG A 23 2.662 10.872 -10.235 1.00 44.23 O ATOM 360 CB ARG A 23 4.124 10.405 -12.604 1.00 13.03 C ATOM 361 CG ARG A 23 2.861 10.567 -13.441 1.00 52.34 C ATOM 362 CD ARG A 23 2.665 9.381 -14.371 1.00 1.15 C ATOM 363 NE ARG A 23 1.450 9.502 -15.185 1.00 41.41 N ATOM 364 CZ ARG A 23 1.364 9.137 -16.469 1.00 21.52 C ATOM 365 NH1 ARG A 23 2.433 8.670 -17.107 1.00 3.24 N ATOM 366 NH2 ARG A 23 0.208 9.253 -17.116 1.00 55.42 N ATOM 0 H ARG A 23 5.545 10.902 -10.062 1.00 21.02 H new ATOM 0 HA ARG A 23 4.552 12.485 -12.302 1.00 62.24 H new ATOM 0 HB2 ARG A 23 4.970 10.248 -13.273 1.00 13.03 H new ATOM 0 HB3 ARG A 23 4.028 9.506 -11.995 1.00 13.03 H new ATOM 0 HG2 ARG A 23 1.996 10.665 -12.785 1.00 52.34 H new ATOM 0 HG3 ARG A 23 2.924 11.485 -14.025 1.00 52.34 H new ATOM 0 HD2 ARG A 23 3.531 9.290 -15.027 1.00 1.15 H new ATOM 0 HD3 ARG A 23 2.614 8.465 -13.782 1.00 1.15 H new ATOM 0 HE ARG A 23 0.617 9.890 -14.743 1.00 41.41 H new ATOM 0 HH11 ARG A 23 3.324 8.589 -16.617 1.00 3.24 H new ATOM 0 HH12 ARG A 23 2.362 8.393 -18.086 1.00 3.24 H new ATOM 0 HH21 ARG A 23 -0.612 9.620 -16.633 1.00 55.42 H new ATOM 0 HH22 ARG A 23 0.141 8.975 -18.095 1.00 55.42 H new ATOM 380 N PRO A 24 3.020 13.099 -10.359 1.00 42.40 N ATOM 381 CA PRO A 24 1.925 13.481 -9.442 1.00 74.12 C ATOM 382 C PRO A 24 0.537 13.326 -10.085 1.00 64.44 C ATOM 383 O PRO A 24 -0.381 14.093 -9.801 1.00 21.25 O ATOM 384 CB PRO A 24 2.207 14.971 -9.147 1.00 45.32 C ATOM 385 CG PRO A 24 3.585 15.224 -9.664 1.00 5.41 C ATOM 386 CD PRO A 24 3.779 14.271 -10.799 1.00 3.10 C ATOM 0 HA PRO A 24 1.904 12.848 -8.555 1.00 74.12 H new ATOM 0 HB2 PRO A 24 1.478 15.614 -9.640 1.00 45.32 H new ATOM 0 HB3 PRO A 24 2.144 15.179 -8.079 1.00 45.32 H new ATOM 0 HG2 PRO A 24 3.693 16.256 -9.998 1.00 5.41 H new ATOM 0 HG3 PRO A 24 4.330 15.061 -8.885 1.00 5.41 H new ATOM 0 HD2 PRO A 24 3.397 14.674 -11.737 1.00 3.10 H new ATOM 0 HD3 PRO A 24 4.832 14.037 -10.958 1.00 3.10 H new ATOM 394 N SER A 25 0.395 12.325 -10.926 1.00 1.35 N ATOM 395 CA SER A 25 -0.853 12.050 -11.600 1.00 41.44 C ATOM 396 C SER A 25 -1.148 10.561 -11.533 1.00 52.30 C ATOM 397 O SER A 25 -0.226 9.741 -11.527 1.00 72.21 O ATOM 398 CB SER A 25 -0.771 12.496 -13.063 1.00 62.42 C ATOM 399 OG SER A 25 -0.356 13.851 -13.165 1.00 24.44 O ATOM 0 H SER A 25 1.146 11.676 -11.162 1.00 1.35 H new ATOM 0 HA SER A 25 -1.654 12.602 -11.108 1.00 41.44 H new ATOM 0 HB2 SER A 25 -0.071 11.857 -13.602 1.00 62.42 H new ATOM 0 HB3 SER A 25 -1.744 12.374 -13.538 1.00 62.42 H new ATOM 0 HG SER A 25 -1.063 14.436 -12.823 1.00 24.44 H new ATOM 405 N SER A 26 -2.407 10.216 -11.464 1.00 23.15 N ATOM 406 CA SER A 26 -2.818 8.832 -11.427 1.00 20.14 C ATOM 407 C SER A 26 -3.824 8.578 -12.537 1.00 45.32 C ATOM 408 O SER A 26 -4.047 9.446 -13.389 1.00 2.14 O ATOM 409 CB SER A 26 -3.444 8.505 -10.065 1.00 31.45 C ATOM 410 OG SER A 26 -4.631 9.259 -9.853 1.00 35.53 O ATOM 0 H SER A 26 -3.178 10.884 -11.432 1.00 23.15 H new ATOM 0 HA SER A 26 -1.948 8.192 -11.573 1.00 20.14 H new ATOM 0 HB2 SER A 26 -3.671 7.440 -10.012 1.00 31.45 H new ATOM 0 HB3 SER A 26 -2.728 8.718 -9.271 1.00 31.45 H new ATOM 0 HG SER A 26 -5.012 9.031 -8.979 1.00 35.53 H new ATOM 415 N TRP A 27 -4.423 7.404 -12.539 1.00 63.21 N ATOM 416 CA TRP A 27 -5.447 7.079 -13.517 1.00 30.30 C ATOM 417 C TRP A 27 -6.788 7.703 -13.118 1.00 40.24 C ATOM 418 O TRP A 27 -7.785 7.564 -13.829 1.00 21.34 O ATOM 419 CB TRP A 27 -5.586 5.552 -13.686 1.00 11.21 C ATOM 420 CG TRP A 27 -5.990 4.824 -12.432 1.00 4.52 C ATOM 421 CD1 TRP A 27 -5.199 4.537 -11.362 1.00 24.22 C ATOM 422 CD2 TRP A 27 -7.280 4.275 -12.134 1.00 34.45 C ATOM 423 NE1 TRP A 27 -5.919 3.860 -10.409 1.00 34.31 N ATOM 424 CE2 TRP A 27 -7.197 3.684 -10.859 1.00 75.20 C ATOM 425 CE3 TRP A 27 -8.498 4.232 -12.816 1.00 72.22 C ATOM 426 CZ2 TRP A 27 -8.282 3.056 -10.254 1.00 12.24 C ATOM 427 CZ3 TRP A 27 -9.575 3.608 -12.215 1.00 12.22 C ATOM 428 CH2 TRP A 27 -9.460 3.028 -10.946 1.00 4.24 C ATOM 0 H TRP A 27 -4.220 6.657 -11.875 1.00 63.21 H new ATOM 0 HA TRP A 27 -5.143 7.497 -14.477 1.00 30.30 H new ATOM 0 HB2 TRP A 27 -6.323 5.350 -14.463 1.00 11.21 H new ATOM 0 HB3 TRP A 27 -4.636 5.149 -14.036 1.00 11.21 H new ATOM 0 HD1 TRP A 27 -4.156 4.803 -11.275 1.00 24.22 H new ATOM 0 HE1 TRP A 27 -5.558 3.540 -9.510 1.00 34.31 H new ATOM 0 HE3 TRP A 27 -8.597 4.678 -13.795 1.00 72.22 H new ATOM 0 HZ2 TRP A 27 -8.196 2.608 -9.275 1.00 12.24 H new ATOM 0 HZ3 TRP A 27 -10.522 3.567 -12.733 1.00 12.22 H new ATOM 0 HH2 TRP A 27 -10.321 2.548 -10.504 1.00 4.24 H new ATOM 439 N ARG A 28 -6.798 8.393 -11.976 1.00 2.32 N ATOM 440 CA ARG A 28 -8.003 9.045 -11.480 1.00 24.42 C ATOM 441 C ARG A 28 -7.771 10.535 -11.254 1.00 44.10 C ATOM 442 O ARG A 28 -8.621 11.364 -11.582 1.00 70.31 O ATOM 443 CB ARG A 28 -8.480 8.385 -10.185 1.00 42.02 C ATOM 444 CG ARG A 28 -8.907 6.941 -10.362 1.00 4.00 C ATOM 445 CD ARG A 28 -9.413 6.342 -9.065 1.00 1.14 C ATOM 446 NE ARG A 28 -10.598 7.038 -8.563 1.00 51.43 N ATOM 447 CZ ARG A 28 -11.660 6.433 -8.031 1.00 31.32 C ATOM 448 NH1 ARG A 28 -11.709 5.102 -7.951 1.00 22.40 N ATOM 449 NH2 ARG A 28 -12.672 7.161 -7.578 1.00 22.11 N ATOM 0 H ARG A 28 -5.980 8.513 -11.378 1.00 2.32 H new ATOM 0 HA ARG A 28 -8.777 8.931 -12.239 1.00 24.42 H new ATOM 0 HB2 ARG A 28 -7.679 8.431 -9.447 1.00 42.02 H new ATOM 0 HB3 ARG A 28 -9.317 8.956 -9.783 1.00 42.02 H new ATOM 0 HG2 ARG A 28 -9.689 6.883 -11.119 1.00 4.00 H new ATOM 0 HG3 ARG A 28 -8.064 6.355 -10.729 1.00 4.00 H new ATOM 0 HD2 ARG A 28 -9.650 5.289 -9.220 1.00 1.14 H new ATOM 0 HD3 ARG A 28 -8.624 6.384 -8.315 1.00 1.14 H new ATOM 0 HE ARG A 28 -10.612 8.056 -8.624 1.00 51.43 H new ATOM 0 HH11 ARG A 28 -10.931 4.541 -8.298 1.00 22.40 H new ATOM 0 HH12 ARG A 28 -12.525 4.645 -7.543 1.00 22.40 H new ATOM 0 HH21 ARG A 28 -12.635 8.179 -7.638 1.00 22.11 H new ATOM 0 HH22 ARG A 28 -13.487 6.703 -7.170 1.00 22.11 H new ATOM 463 N GLN A 29 -6.626 10.873 -10.690 1.00 21.05 N ATOM 464 CA GLN A 29 -6.285 12.260 -10.430 1.00 44.32 C ATOM 465 C GLN A 29 -5.299 12.767 -11.464 1.00 30.14 C ATOM 466 O GLN A 29 -4.288 12.124 -11.737 1.00 43.00 O ATOM 467 CB GLN A 29 -5.689 12.416 -9.027 1.00 63.31 C ATOM 468 CG GLN A 29 -6.637 12.037 -7.902 1.00 34.31 C ATOM 469 CD GLN A 29 -7.893 12.887 -7.885 1.00 53.41 C ATOM 470 OE1 GLN A 29 -7.880 14.051 -8.292 1.00 11.43 O ATOM 471 NE2 GLN A 29 -8.982 12.315 -7.415 1.00 20.14 N ATOM 0 H GLN A 29 -5.913 10.203 -10.402 1.00 21.05 H new ATOM 0 HA GLN A 29 -7.199 12.850 -10.492 1.00 44.32 H new ATOM 0 HB2 GLN A 29 -4.793 11.800 -8.955 1.00 63.31 H new ATOM 0 HB3 GLN A 29 -5.376 13.451 -8.890 1.00 63.31 H new ATOM 0 HG2 GLN A 29 -6.914 10.988 -8.004 1.00 34.31 H new ATOM 0 HG3 GLN A 29 -6.121 12.139 -6.947 1.00 34.31 H new ATOM 0 HE21 GLN A 29 -8.950 11.349 -7.088 1.00 20.14 H new ATOM 0 HE22 GLN A 29 -9.857 12.838 -7.378 1.00 20.14 H new ATOM 480 N GLU A 30 -5.590 13.913 -12.039 1.00 52.04 N ATOM 481 CA GLU A 30 -4.709 14.505 -13.025 1.00 51.42 C ATOM 482 C GLU A 30 -3.593 15.257 -12.334 1.00 33.10 C ATOM 483 O GLU A 30 -2.488 15.371 -12.855 1.00 5.43 O ATOM 484 CB GLU A 30 -5.478 15.448 -13.944 1.00 4.13 C ATOM 485 CG GLU A 30 -6.571 14.772 -14.745 1.00 21.20 C ATOM 486 CD GLU A 30 -7.265 15.726 -15.681 1.00 50.25 C ATOM 487 OE1 GLU A 30 -6.789 15.898 -16.824 1.00 1.42 O ATOM 488 OE2 GLU A 30 -8.283 16.319 -15.281 1.00 1.21 O ATOM 0 H GLU A 30 -6.431 14.455 -11.841 1.00 52.04 H new ATOM 0 HA GLU A 30 -4.285 13.704 -13.631 1.00 51.42 H new ATOM 0 HB2 GLU A 30 -5.920 16.243 -13.344 1.00 4.13 H new ATOM 0 HB3 GLU A 30 -4.777 15.920 -14.632 1.00 4.13 H new ATOM 0 HG2 GLU A 30 -6.143 13.950 -15.319 1.00 21.20 H new ATOM 0 HG3 GLU A 30 -7.303 14.338 -14.064 1.00 21.20 H new ATOM 495 N LYS A 31 -3.885 15.756 -11.152 1.00 11.14 N ATOM 496 CA LYS A 31 -2.921 16.503 -10.383 1.00 21.13 C ATOM 497 C LYS A 31 -3.110 16.268 -8.889 1.00 15.43 C ATOM 498 O LYS A 31 -4.038 16.793 -8.270 1.00 43.32 O ATOM 499 CB LYS A 31 -3.008 17.999 -10.717 1.00 60.01 C ATOM 500 CG LYS A 31 -4.422 18.570 -10.657 1.00 41.31 C ATOM 501 CD LYS A 31 -4.446 20.046 -11.010 1.00 51.14 C ATOM 502 CE LYS A 31 -3.674 20.875 -9.999 1.00 60.01 C ATOM 503 NZ LYS A 31 -3.639 22.306 -10.374 1.00 75.23 N ATOM 0 H LYS A 31 -4.794 15.654 -10.701 1.00 11.14 H new ATOM 0 HA LYS A 31 -1.926 16.149 -10.652 1.00 21.13 H new ATOM 0 HB2 LYS A 31 -2.375 18.552 -10.024 1.00 60.01 H new ATOM 0 HB3 LYS A 31 -2.604 18.161 -11.716 1.00 60.01 H new ATOM 0 HG2 LYS A 31 -5.066 18.021 -11.344 1.00 41.31 H new ATOM 0 HG3 LYS A 31 -4.830 18.428 -9.656 1.00 41.31 H new ATOM 0 HD2 LYS A 31 -4.018 20.190 -12.002 1.00 51.14 H new ATOM 0 HD3 LYS A 31 -5.478 20.393 -11.054 1.00 51.14 H new ATOM 0 HE2 LYS A 31 -4.132 20.768 -9.016 1.00 60.01 H new ATOM 0 HE3 LYS A 31 -2.655 20.495 -9.919 1.00 60.01 H new ATOM 0 HZ1 LYS A 31 -3.103 22.839 -9.660 1.00 75.23 H new ATOM 0 HZ2 LYS A 31 -3.179 22.411 -11.301 1.00 75.23 H new ATOM 0 HZ3 LYS A 31 -4.610 22.675 -10.425 1.00 75.23 H new ATOM 517 N ILE A 32 -2.246 15.457 -8.324 1.00 3.14 N ATOM 518 CA ILE A 32 -2.284 15.169 -6.910 1.00 12.22 C ATOM 519 C ILE A 32 -1.588 16.288 -6.146 1.00 71.33 C ATOM 520 O ILE A 32 -0.356 16.346 -6.076 1.00 73.22 O ATOM 521 CB ILE A 32 -1.624 13.805 -6.600 1.00 42.14 C ATOM 522 CG1 ILE A 32 -2.325 12.702 -7.403 1.00 14.10 C ATOM 523 CG2 ILE A 32 -1.686 13.503 -5.108 1.00 71.24 C ATOM 524 CD1 ILE A 32 -1.713 11.333 -7.235 1.00 11.53 C ATOM 0 H ILE A 32 -1.500 14.980 -8.830 1.00 3.14 H new ATOM 0 HA ILE A 32 -3.325 15.109 -6.592 1.00 12.22 H new ATOM 0 HB ILE A 32 -0.574 13.845 -6.890 1.00 42.14 H new ATOM 0 HG12 ILE A 32 -3.372 12.659 -7.103 1.00 14.10 H new ATOM 0 HG13 ILE A 32 -2.306 12.969 -8.460 1.00 14.10 H new ATOM 0 HG21 ILE A 32 -1.216 12.539 -4.912 1.00 71.24 H new ATOM 0 HG22 ILE A 32 -1.159 14.282 -4.557 1.00 71.24 H new ATOM 0 HG23 ILE A 32 -2.727 13.471 -4.786 1.00 71.24 H new ATOM 0 HD11 ILE A 32 -2.267 10.611 -7.835 1.00 11.53 H new ATOM 0 HD12 ILE A 32 -0.674 11.356 -7.563 1.00 11.53 H new ATOM 0 HD13 ILE A 32 -1.756 11.042 -6.186 1.00 11.53 H new ATOM 536 N THR A 33 -2.386 17.177 -5.588 1.00 63.53 N ATOM 537 CA THR A 33 -1.885 18.358 -4.911 1.00 74.11 C ATOM 538 C THR A 33 -1.599 18.116 -3.429 1.00 15.14 C ATOM 539 O THR A 33 -1.401 19.060 -2.667 1.00 43.21 O ATOM 540 CB THR A 33 -2.879 19.521 -5.063 1.00 43.33 C ATOM 541 OG1 THR A 33 -4.213 19.054 -4.795 1.00 51.45 O ATOM 542 CG2 THR A 33 -2.817 20.095 -6.470 1.00 32.32 C ATOM 0 H THR A 33 -3.403 17.101 -5.591 1.00 63.53 H new ATOM 0 HA THR A 33 -0.938 18.612 -5.386 1.00 74.11 H new ATOM 0 HB THR A 33 -2.612 20.303 -4.352 1.00 43.33 H new ATOM 0 HG1 THR A 33 -4.845 19.797 -4.891 1.00 51.45 H new ATOM 0 HG21 THR A 33 -3.527 20.917 -6.559 1.00 32.32 H new ATOM 0 HG22 THR A 33 -1.810 20.462 -6.669 1.00 32.32 H new ATOM 0 HG23 THR A 33 -3.069 19.318 -7.191 1.00 32.32 H new ATOM 550 N ARG A 34 -1.572 16.866 -3.022 1.00 21.45 N ATOM 551 CA ARG A 34 -1.265 16.538 -1.642 1.00 33.21 C ATOM 552 C ARG A 34 0.122 15.929 -1.536 1.00 22.21 C ATOM 553 O ARG A 34 0.461 14.996 -2.265 1.00 33.31 O ATOM 554 CB ARG A 34 -2.329 15.609 -1.038 1.00 40.14 C ATOM 555 CG ARG A 34 -2.596 14.353 -1.841 1.00 11.23 C ATOM 556 CD ARG A 34 -3.725 13.544 -1.233 1.00 32.43 C ATOM 557 NE ARG A 34 -4.139 12.443 -2.104 1.00 54.52 N ATOM 558 CZ ARG A 34 -5.414 12.090 -2.308 1.00 22.25 C ATOM 559 NH1 ARG A 34 -6.394 12.742 -1.693 1.00 63.30 N ATOM 560 NH2 ARG A 34 -5.707 11.085 -3.129 1.00 52.21 N ATOM 0 H ARG A 34 -1.757 16.062 -3.621 1.00 21.45 H new ATOM 0 HA ARG A 34 -1.276 17.462 -1.064 1.00 33.21 H new ATOM 0 HB2 ARG A 34 -2.016 15.323 -0.034 1.00 40.14 H new ATOM 0 HB3 ARG A 34 -3.261 16.164 -0.935 1.00 40.14 H new ATOM 0 HG2 ARG A 34 -2.848 14.621 -2.867 1.00 11.23 H new ATOM 0 HG3 ARG A 34 -1.692 13.746 -1.883 1.00 11.23 H new ATOM 0 HD2 ARG A 34 -3.408 13.145 -0.270 1.00 32.43 H new ATOM 0 HD3 ARG A 34 -4.577 14.196 -1.043 1.00 32.43 H new ATOM 0 HE ARG A 34 -3.412 11.913 -2.585 1.00 54.52 H new ATOM 0 HH11 ARG A 34 -6.176 13.514 -1.063 1.00 63.30 H new ATOM 0 HH12 ARG A 34 -7.365 12.471 -1.851 1.00 63.30 H new ATOM 0 HH21 ARG A 34 -4.959 10.581 -3.605 1.00 52.21 H new ATOM 0 HH22 ARG A 34 -6.680 10.819 -3.282 1.00 52.21 H new ATOM 574 N THR A 35 0.931 16.478 -0.652 1.00 54.34 N ATOM 575 CA THR A 35 2.287 16.003 -0.459 1.00 21.12 C ATOM 576 C THR A 35 2.314 14.777 0.471 1.00 33.44 C ATOM 577 O THR A 35 1.264 14.279 0.887 1.00 45.33 O ATOM 578 CB THR A 35 3.199 17.127 0.101 1.00 2.32 C ATOM 579 OG1 THR A 35 4.569 16.703 0.107 1.00 65.11 O ATOM 580 CG2 THR A 35 2.782 17.522 1.513 1.00 22.42 C ATOM 0 H THR A 35 0.670 17.260 -0.051 1.00 54.34 H new ATOM 0 HA THR A 35 2.674 15.704 -1.433 1.00 21.12 H new ATOM 0 HB THR A 35 3.092 17.995 -0.549 1.00 2.32 H new ATOM 0 HG1 THR A 35 5.133 17.422 0.461 1.00 65.11 H new ATOM 0 HG21 THR A 35 3.439 18.311 1.879 1.00 22.42 H new ATOM 0 HG22 THR A 35 1.753 17.882 1.501 1.00 22.42 H new ATOM 0 HG23 THR A 35 2.855 16.655 2.170 1.00 22.42 H new ATOM 588 N LYS A 36 3.516 14.302 0.789 1.00 5.13 N ATOM 589 CA LYS A 36 3.695 13.129 1.640 1.00 34.35 C ATOM 590 C LYS A 36 3.078 13.357 3.014 1.00 51.25 C ATOM 591 O LYS A 36 2.374 12.499 3.538 1.00 51.01 O ATOM 592 CB LYS A 36 5.187 12.805 1.786 1.00 22.32 C ATOM 593 CG LYS A 36 5.474 11.601 2.674 1.00 15.43 C ATOM 594 CD LYS A 36 6.973 11.359 2.865 1.00 74.20 C ATOM 595 CE LYS A 36 7.604 12.316 3.886 1.00 21.45 C ATOM 596 NZ LYS A 36 7.724 13.711 3.386 1.00 14.12 N ATOM 0 H LYS A 36 4.390 14.717 0.466 1.00 5.13 H new ATOM 0 HA LYS A 36 3.189 12.286 1.169 1.00 34.35 H new ATOM 0 HB2 LYS A 36 5.608 12.623 0.797 1.00 22.32 H new ATOM 0 HB3 LYS A 36 5.699 13.676 2.195 1.00 22.32 H new ATOM 0 HG2 LYS A 36 5.006 11.751 3.647 1.00 15.43 H new ATOM 0 HG3 LYS A 36 5.019 10.713 2.235 1.00 15.43 H new ATOM 0 HD2 LYS A 36 7.132 10.331 3.191 1.00 74.20 H new ATOM 0 HD3 LYS A 36 7.480 11.472 1.907 1.00 74.20 H new ATOM 0 HE2 LYS A 36 7.004 12.314 4.796 1.00 21.45 H new ATOM 0 HE3 LYS A 36 8.594 11.947 4.156 1.00 21.45 H new ATOM 0 HZ1 LYS A 36 8.557 14.163 3.814 1.00 14.12 H new ATOM 0 HZ2 LYS A 36 7.829 13.701 2.351 1.00 14.12 H new ATOM 0 HZ3 LYS A 36 6.870 14.246 3.642 1.00 14.12 H new ATOM 610 N GLU A 37 3.346 14.523 3.579 1.00 43.31 N ATOM 611 CA GLU A 37 2.838 14.899 4.894 1.00 63.22 C ATOM 612 C GLU A 37 1.311 14.863 4.929 1.00 11.43 C ATOM 613 O GLU A 37 0.711 14.551 5.955 1.00 4.04 O ATOM 614 CB GLU A 37 3.343 16.295 5.295 1.00 11.34 C ATOM 615 CG GLU A 37 4.867 16.417 5.394 1.00 71.30 C ATOM 616 CD GLU A 37 5.555 16.556 4.044 1.00 43.22 C ATOM 617 OE1 GLU A 37 5.796 15.530 3.379 1.00 13.52 O ATOM 618 OE2 GLU A 37 5.874 17.693 3.653 1.00 51.33 O ATOM 0 H GLU A 37 3.924 15.240 3.139 1.00 43.31 H new ATOM 0 HA GLU A 37 3.214 14.170 5.612 1.00 63.22 H new ATOM 0 HB2 GLU A 37 2.980 17.021 4.568 1.00 11.34 H new ATOM 0 HB3 GLU A 37 2.907 16.562 6.257 1.00 11.34 H new ATOM 0 HG2 GLU A 37 5.115 17.282 6.010 1.00 71.30 H new ATOM 0 HG3 GLU A 37 5.261 15.538 5.905 1.00 71.30 H new ATOM 625 N GLU A 38 0.693 15.177 3.805 1.00 14.43 N ATOM 626 CA GLU A 38 -0.754 15.157 3.702 1.00 42.34 C ATOM 627 C GLU A 38 -1.248 13.733 3.507 1.00 33.02 C ATOM 628 O GLU A 38 -2.163 13.283 4.191 1.00 43.31 O ATOM 629 CB GLU A 38 -1.215 16.029 2.538 1.00 51.10 C ATOM 630 CG GLU A 38 -0.869 17.496 2.695 1.00 60.21 C ATOM 631 CD GLU A 38 -1.507 18.113 3.917 1.00 41.51 C ATOM 632 OE1 GLU A 38 -2.753 18.213 3.951 1.00 43.15 O ATOM 633 OE2 GLU A 38 -0.772 18.502 4.846 1.00 64.24 O ATOM 0 H GLU A 38 1.173 15.450 2.948 1.00 14.43 H new ATOM 0 HA GLU A 38 -1.172 15.554 4.627 1.00 42.34 H new ATOM 0 HB2 GLU A 38 -0.766 15.656 1.617 1.00 51.10 H new ATOM 0 HB3 GLU A 38 -2.295 15.930 2.428 1.00 51.10 H new ATOM 0 HG2 GLU A 38 0.214 17.606 2.760 1.00 60.21 H new ATOM 0 HG3 GLU A 38 -1.192 18.039 1.807 1.00 60.21 H new ATOM 640 N ALA A 39 -0.612 13.023 2.582 1.00 21.21 N ATOM 641 CA ALA A 39 -0.979 11.648 2.266 1.00 33.11 C ATOM 642 C ALA A 39 -0.851 10.745 3.488 1.00 23.32 C ATOM 643 O ALA A 39 -1.628 9.808 3.658 1.00 15.24 O ATOM 644 CB ALA A 39 -0.118 11.123 1.126 1.00 10.25 C ATOM 0 H ALA A 39 0.169 13.382 2.033 1.00 21.21 H new ATOM 0 HA ALA A 39 -2.023 11.641 1.954 1.00 33.11 H new ATOM 0 HB1 ALA A 39 -0.402 10.095 0.899 1.00 10.25 H new ATOM 0 HB2 ALA A 39 -0.266 11.744 0.242 1.00 10.25 H new ATOM 0 HB3 ALA A 39 0.931 11.154 1.419 1.00 10.25 H new ATOM 650 N LEU A 40 0.125 11.047 4.340 1.00 51.13 N ATOM 651 CA LEU A 40 0.373 10.273 5.555 1.00 74.24 C ATOM 652 C LEU A 40 -0.872 10.223 6.445 1.00 23.22 C ATOM 653 O LEU A 40 -1.145 9.205 7.096 1.00 52.12 O ATOM 654 CB LEU A 40 1.554 10.872 6.332 1.00 30.11 C ATOM 655 CG LEU A 40 1.963 10.133 7.611 1.00 5.22 C ATOM 656 CD1 LEU A 40 2.379 8.707 7.298 1.00 64.34 C ATOM 657 CD2 LEU A 40 3.089 10.871 8.317 1.00 1.32 C ATOM 0 H LEU A 40 0.764 11.831 4.210 1.00 51.13 H new ATOM 0 HA LEU A 40 0.619 9.253 5.260 1.00 74.24 H new ATOM 0 HB2 LEU A 40 2.417 10.912 5.668 1.00 30.11 H new ATOM 0 HB3 LEU A 40 1.306 11.901 6.594 1.00 30.11 H new ATOM 0 HG LEU A 40 1.100 10.100 8.276 1.00 5.22 H new ATOM 0 HD11 LEU A 40 2.665 8.201 8.220 1.00 64.34 H new ATOM 0 HD12 LEU A 40 1.545 8.178 6.837 1.00 64.34 H new ATOM 0 HD13 LEU A 40 3.226 8.717 6.612 1.00 64.34 H new ATOM 0 HD21 LEU A 40 3.366 10.332 9.223 1.00 1.32 H new ATOM 0 HD22 LEU A 40 3.953 10.936 7.655 1.00 1.32 H new ATOM 0 HD23 LEU A 40 2.757 11.875 8.580 1.00 1.32 H new ATOM 669 N GLU A 41 -1.631 11.311 6.455 1.00 24.04 N ATOM 670 CA GLU A 41 -2.841 11.385 7.258 1.00 11.33 C ATOM 671 C GLU A 41 -3.884 10.421 6.718 1.00 0.33 C ATOM 672 O GLU A 41 -4.536 9.702 7.479 1.00 44.20 O ATOM 673 CB GLU A 41 -3.393 12.809 7.276 1.00 73.44 C ATOM 674 CG GLU A 41 -2.365 13.853 7.671 1.00 74.23 C ATOM 675 CD GLU A 41 -2.961 15.229 7.847 1.00 2.21 C ATOM 676 OE1 GLU A 41 -3.705 15.683 6.956 1.00 51.50 O ATOM 677 OE2 GLU A 41 -2.671 15.875 8.879 1.00 53.54 O ATOM 0 H GLU A 41 -1.429 12.153 5.916 1.00 24.04 H new ATOM 0 HA GLU A 41 -2.595 11.103 8.282 1.00 11.33 H new ATOM 0 HB2 GLU A 41 -3.783 13.051 6.288 1.00 73.44 H new ATOM 0 HB3 GLU A 41 -4.232 12.856 7.970 1.00 73.44 H new ATOM 0 HG2 GLU A 41 -1.885 13.549 8.601 1.00 74.23 H new ATOM 0 HG3 GLU A 41 -1.586 13.895 6.909 1.00 74.23 H new ATOM 684 N LEU A 42 -4.022 10.398 5.398 1.00 43.52 N ATOM 685 CA LEU A 42 -4.956 9.497 4.741 1.00 40.11 C ATOM 686 C LEU A 42 -4.575 8.050 5.005 1.00 10.43 C ATOM 687 O LEU A 42 -5.439 7.211 5.246 1.00 44.45 O ATOM 688 CB LEU A 42 -5.008 9.752 3.227 1.00 24.53 C ATOM 689 CG LEU A 42 -5.752 11.014 2.771 1.00 15.22 C ATOM 690 CD1 LEU A 42 -4.980 12.274 3.121 1.00 14.11 C ATOM 691 CD2 LEU A 42 -6.033 10.952 1.279 1.00 73.54 C ATOM 0 H LEU A 42 -3.496 10.996 4.761 1.00 43.52 H new ATOM 0 HA LEU A 42 -5.945 9.689 5.156 1.00 40.11 H new ATOM 0 HB2 LEU A 42 -3.985 9.806 2.855 1.00 24.53 H new ATOM 0 HB3 LEU A 42 -5.475 8.890 2.752 1.00 24.53 H new ATOM 0 HG LEU A 42 -6.702 11.053 3.305 1.00 15.22 H new ATOM 0 HD11 LEU A 42 -5.537 13.148 2.783 1.00 14.11 H new ATOM 0 HD12 LEU A 42 -4.841 12.328 4.201 1.00 14.11 H new ATOM 0 HD13 LEU A 42 -4.007 12.252 2.631 1.00 14.11 H new ATOM 0 HD21 LEU A 42 -6.561 11.854 0.970 1.00 73.54 H new ATOM 0 HD22 LEU A 42 -5.092 10.878 0.734 1.00 73.54 H new ATOM 0 HD23 LEU A 42 -6.648 10.079 1.061 1.00 73.54 H new ATOM 703 N ILE A 43 -3.270 7.771 4.969 1.00 13.43 N ATOM 704 CA ILE A 43 -2.759 6.423 5.217 1.00 72.31 C ATOM 705 C ILE A 43 -3.253 5.903 6.558 1.00 31.34 C ATOM 706 O ILE A 43 -3.894 4.854 6.632 1.00 23.24 O ATOM 707 CB ILE A 43 -1.211 6.381 5.222 1.00 35.51 C ATOM 708 CG1 ILE A 43 -0.637 6.937 3.916 1.00 22.24 C ATOM 709 CG2 ILE A 43 -0.722 4.957 5.455 1.00 22.13 C ATOM 710 CD1 ILE A 43 -1.047 6.165 2.685 1.00 72.44 C ATOM 0 H ILE A 43 -2.547 8.463 4.770 1.00 13.43 H new ATOM 0 HA ILE A 43 -3.128 5.796 4.405 1.00 72.31 H new ATOM 0 HB ILE A 43 -0.859 7.012 6.038 1.00 35.51 H new ATOM 0 HG12 ILE A 43 -0.955 7.974 3.804 1.00 22.24 H new ATOM 0 HG13 ILE A 43 0.451 6.942 3.983 1.00 22.24 H new ATOM 0 HG21 ILE A 43 0.368 4.942 5.456 1.00 22.13 H new ATOM 0 HG22 ILE A 43 -1.091 4.598 6.416 1.00 22.13 H new ATOM 0 HG23 ILE A 43 -1.093 4.310 4.660 1.00 22.13 H new ATOM 0 HD11 ILE A 43 -0.599 6.622 1.803 1.00 72.44 H new ATOM 0 HD12 ILE A 43 -0.705 5.134 2.772 1.00 72.44 H new ATOM 0 HD13 ILE A 43 -2.133 6.181 2.590 1.00 72.44 H new ATOM 722 N ASN A 44 -2.970 6.660 7.615 1.00 42.33 N ATOM 723 CA ASN A 44 -3.371 6.276 8.967 1.00 71.43 C ATOM 724 C ASN A 44 -4.885 6.175 9.082 1.00 41.03 C ATOM 725 O ASN A 44 -5.409 5.423 9.912 1.00 43.21 O ATOM 726 CB ASN A 44 -2.820 7.256 10.011 1.00 32.00 C ATOM 727 CG ASN A 44 -1.322 7.111 10.229 1.00 44.42 C ATOM 728 OD1 ASN A 44 -0.876 6.290 11.037 1.00 44.44 O ATOM 729 ND2 ASN A 44 -0.535 7.907 9.526 1.00 65.24 N ATOM 0 H ASN A 44 -2.464 7.544 7.562 1.00 42.33 H new ATOM 0 HA ASN A 44 -2.945 5.292 9.166 1.00 71.43 H new ATOM 0 HB2 ASN A 44 -3.039 8.276 9.695 1.00 32.00 H new ATOM 0 HB3 ASN A 44 -3.336 7.098 10.958 1.00 32.00 H new ATOM 0 HD21 ASN A 44 0.477 7.855 9.642 1.00 65.24 H new ATOM 0 HD22 ASN A 44 -0.940 8.573 8.868 1.00 65.24 H new ATOM 736 N GLY A 45 -5.584 6.928 8.249 1.00 1.54 N ATOM 737 CA GLY A 45 -7.024 6.871 8.236 1.00 42.10 C ATOM 738 C GLY A 45 -7.520 5.567 7.656 1.00 12.41 C ATOM 739 O GLY A 45 -8.374 4.901 8.244 1.00 62.32 O ATOM 0 H GLY A 45 -5.175 7.580 7.580 1.00 1.54 H new ATOM 0 HA2 GLY A 45 -7.403 6.987 9.251 1.00 42.10 H new ATOM 0 HA3 GLY A 45 -7.417 7.703 7.652 1.00 42.10 H new ATOM 743 N TYR A 46 -6.962 5.184 6.510 1.00 41.32 N ATOM 744 CA TYR A 46 -7.343 3.943 5.843 1.00 2.21 C ATOM 745 C TYR A 46 -7.030 2.742 6.720 1.00 40.11 C ATOM 746 O TYR A 46 -7.821 1.804 6.798 1.00 70.41 O ATOM 747 CB TYR A 46 -6.642 3.806 4.484 1.00 33.12 C ATOM 748 CG TYR A 46 -6.953 4.929 3.516 1.00 71.31 C ATOM 749 CD1 TYR A 46 -8.238 5.451 3.414 1.00 70.41 C ATOM 750 CD2 TYR A 46 -5.960 5.476 2.714 1.00 60.13 C ATOM 751 CE1 TYR A 46 -8.523 6.479 2.542 1.00 73.22 C ATOM 752 CE2 TYR A 46 -6.238 6.508 1.839 1.00 63.43 C ATOM 753 CZ TYR A 46 -7.521 7.005 1.758 1.00 50.11 C ATOM 754 OH TYR A 46 -7.803 8.037 0.891 1.00 31.44 O ATOM 0 H TYR A 46 -6.242 5.718 6.023 1.00 41.32 H new ATOM 0 HA TYR A 46 -8.419 3.977 5.670 1.00 2.21 H new ATOM 0 HB2 TYR A 46 -5.565 3.766 4.645 1.00 33.12 H new ATOM 0 HB3 TYR A 46 -6.932 2.858 4.031 1.00 33.12 H new ATOM 0 HD1 TYR A 46 -9.026 5.043 4.029 1.00 70.41 H new ATOM 0 HD2 TYR A 46 -4.954 5.088 2.775 1.00 60.13 H new ATOM 0 HE1 TYR A 46 -9.527 6.870 2.474 1.00 73.22 H new ATOM 0 HE2 TYR A 46 -5.455 6.923 1.222 1.00 63.43 H new ATOM 0 HH TYR A 46 -8.479 7.745 0.244 1.00 31.44 H new ATOM 764 N ILE A 47 -5.877 2.786 7.392 1.00 21.23 N ATOM 765 CA ILE A 47 -5.473 1.715 8.305 1.00 25.30 C ATOM 766 C ILE A 47 -6.568 1.460 9.338 1.00 72.34 C ATOM 767 O ILE A 47 -6.930 0.313 9.614 1.00 22.20 O ATOM 768 CB ILE A 47 -4.151 2.063 9.047 1.00 33.25 C ATOM 769 CG1 ILE A 47 -3.007 2.268 8.047 1.00 11.13 C ATOM 770 CG2 ILE A 47 -3.792 0.971 10.054 1.00 1.13 C ATOM 771 CD1 ILE A 47 -1.694 2.668 8.691 1.00 63.54 C ATOM 0 H ILE A 47 -5.207 3.552 7.321 1.00 21.23 H new ATOM 0 HA ILE A 47 -5.311 0.821 7.704 1.00 25.30 H new ATOM 0 HB ILE A 47 -4.303 2.995 9.592 1.00 33.25 H new ATOM 0 HG12 ILE A 47 -2.859 1.346 7.485 1.00 11.13 H new ATOM 0 HG13 ILE A 47 -3.297 3.035 7.330 1.00 11.13 H new ATOM 0 HG21 ILE A 47 -2.864 1.235 10.561 1.00 1.13 H new ATOM 0 HG22 ILE A 47 -4.592 0.875 10.788 1.00 1.13 H new ATOM 0 HG23 ILE A 47 -3.663 0.023 9.532 1.00 1.13 H new ATOM 0 HD11 ILE A 47 -0.934 2.794 7.920 1.00 63.54 H new ATOM 0 HD12 ILE A 47 -1.824 3.607 9.230 1.00 63.54 H new ATOM 0 HD13 ILE A 47 -1.379 1.891 9.387 1.00 63.54 H new ATOM 783 N GLN A 48 -7.106 2.537 9.886 1.00 63.11 N ATOM 784 CA GLN A 48 -8.157 2.436 10.879 1.00 44.23 C ATOM 785 C GLN A 48 -9.460 1.960 10.249 1.00 62.43 C ATOM 786 O GLN A 48 -10.107 1.059 10.772 1.00 32.45 O ATOM 787 CB GLN A 48 -8.364 3.772 11.592 1.00 14.41 C ATOM 788 CG GLN A 48 -7.190 4.196 12.459 1.00 71.31 C ATOM 789 CD GLN A 48 -6.890 3.200 13.564 1.00 12.31 C ATOM 790 OE1 GLN A 48 -7.454 3.278 14.651 1.00 23.30 O ATOM 791 NE2 GLN A 48 -5.987 2.271 13.302 1.00 52.24 N ATOM 0 H GLN A 48 -6.830 3.492 9.658 1.00 63.11 H new ATOM 0 HA GLN A 48 -7.846 1.698 11.618 1.00 44.23 H new ATOM 0 HB2 GLN A 48 -8.551 4.545 10.847 1.00 14.41 H new ATOM 0 HB3 GLN A 48 -9.257 3.706 12.214 1.00 14.41 H new ATOM 0 HG2 GLN A 48 -6.306 4.316 11.833 1.00 71.31 H new ATOM 0 HG3 GLN A 48 -7.402 5.170 12.901 1.00 71.31 H new ATOM 0 HE21 GLN A 48 -5.540 2.239 12.386 1.00 52.24 H new ATOM 0 HE22 GLN A 48 -5.737 1.587 14.016 1.00 52.24 H new ATOM 800 N LYS A 49 -9.823 2.551 9.112 1.00 2.20 N ATOM 801 CA LYS A 49 -11.063 2.203 8.411 1.00 1.44 C ATOM 802 C LYS A 49 -11.138 0.714 8.099 1.00 31.12 C ATOM 803 O LYS A 49 -12.140 0.059 8.391 1.00 73.44 O ATOM 804 CB LYS A 49 -11.192 3.003 7.113 1.00 45.14 C ATOM 805 CG LYS A 49 -11.491 4.477 7.316 1.00 74.13 C ATOM 806 CD LYS A 49 -11.483 5.227 5.996 1.00 60.32 C ATOM 807 CE LYS A 49 -11.919 6.674 6.168 1.00 62.45 C ATOM 808 NZ LYS A 49 -13.351 6.784 6.547 1.00 30.43 N ATOM 0 H LYS A 49 -9.274 3.278 8.652 1.00 2.20 H new ATOM 0 HA LYS A 49 -11.888 2.455 9.077 1.00 1.44 H new ATOM 0 HB2 LYS A 49 -10.266 2.907 6.547 1.00 45.14 H new ATOM 0 HB3 LYS A 49 -11.984 2.564 6.506 1.00 45.14 H new ATOM 0 HG2 LYS A 49 -12.463 4.591 7.796 1.00 74.13 H new ATOM 0 HG3 LYS A 49 -10.751 4.911 7.988 1.00 74.13 H new ATOM 0 HD2 LYS A 49 -10.482 5.197 5.567 1.00 60.32 H new ATOM 0 HD3 LYS A 49 -12.147 4.728 5.290 1.00 60.32 H new ATOM 0 HE2 LYS A 49 -11.304 7.149 6.933 1.00 62.45 H new ATOM 0 HE3 LYS A 49 -11.748 7.217 5.239 1.00 62.45 H new ATOM 0 HZ1 LYS A 49 -13.664 7.770 6.440 1.00 30.43 H new ATOM 0 HZ2 LYS A 49 -13.921 6.171 5.930 1.00 30.43 H new ATOM 0 HZ3 LYS A 49 -13.472 6.488 7.537 1.00 30.43 H new ATOM 822 N ILE A 50 -10.078 0.187 7.523 1.00 61.55 N ATOM 823 CA ILE A 50 -10.035 -1.212 7.131 1.00 64.31 C ATOM 824 C ILE A 50 -10.098 -2.144 8.344 1.00 33.24 C ATOM 825 O ILE A 50 -10.888 -3.085 8.370 1.00 43.21 O ATOM 826 CB ILE A 50 -8.773 -1.514 6.289 1.00 42.44 C ATOM 827 CG1 ILE A 50 -8.766 -0.627 5.037 1.00 71.21 C ATOM 828 CG2 ILE A 50 -8.722 -2.991 5.902 1.00 11.11 C ATOM 829 CD1 ILE A 50 -7.491 -0.705 4.231 1.00 71.43 C ATOM 0 H ILE A 50 -9.227 0.709 7.313 1.00 61.55 H new ATOM 0 HA ILE A 50 -10.917 -1.400 6.518 1.00 64.31 H new ATOM 0 HB ILE A 50 -7.888 -1.294 6.886 1.00 42.44 H new ATOM 0 HG12 ILE A 50 -9.604 -0.911 4.400 1.00 71.21 H new ATOM 0 HG13 ILE A 50 -8.930 0.408 5.337 1.00 71.21 H new ATOM 0 HG21 ILE A 50 -7.827 -3.181 5.310 1.00 11.11 H new ATOM 0 HG22 ILE A 50 -8.698 -3.603 6.804 1.00 11.11 H new ATOM 0 HG23 ILE A 50 -9.605 -3.244 5.315 1.00 11.11 H new ATOM 0 HD11 ILE A 50 -7.568 -0.049 3.364 1.00 71.43 H new ATOM 0 HD12 ILE A 50 -6.650 -0.392 4.849 1.00 71.43 H new ATOM 0 HD13 ILE A 50 -7.334 -1.731 3.897 1.00 71.43 H new ATOM 841 N LYS A 51 -9.293 -1.858 9.361 1.00 54.32 N ATOM 842 CA LYS A 51 -9.247 -2.707 10.553 1.00 24.25 C ATOM 843 C LYS A 51 -10.517 -2.601 11.397 1.00 23.32 C ATOM 844 O LYS A 51 -10.829 -3.503 12.167 1.00 63.54 O ATOM 845 CB LYS A 51 -8.022 -2.390 11.408 1.00 44.45 C ATOM 846 CG LYS A 51 -6.713 -2.874 10.810 1.00 62.32 C ATOM 847 CD LYS A 51 -5.563 -2.689 11.783 1.00 65.42 C ATOM 848 CE LYS A 51 -4.301 -3.370 11.284 1.00 21.43 C ATOM 849 NZ LYS A 51 -3.213 -3.321 12.289 1.00 63.23 N ATOM 0 H LYS A 51 -8.667 -1.053 9.388 1.00 54.32 H new ATOM 0 HA LYS A 51 -9.175 -3.734 10.196 1.00 24.25 H new ATOM 0 HB2 LYS A 51 -7.965 -1.312 11.558 1.00 44.45 H new ATOM 0 HB3 LYS A 51 -8.150 -2.842 12.391 1.00 44.45 H new ATOM 0 HG2 LYS A 51 -6.800 -3.927 10.542 1.00 62.32 H new ATOM 0 HG3 LYS A 51 -6.506 -2.327 9.890 1.00 62.32 H new ATOM 0 HD2 LYS A 51 -5.372 -1.625 11.926 1.00 65.42 H new ATOM 0 HD3 LYS A 51 -5.838 -3.097 12.756 1.00 65.42 H new ATOM 0 HE2 LYS A 51 -4.522 -4.409 11.038 1.00 21.43 H new ATOM 0 HE3 LYS A 51 -3.968 -2.889 10.364 1.00 21.43 H new ATOM 0 HZ1 LYS A 51 -2.653 -4.196 12.238 1.00 63.23 H new ATOM 0 HZ2 LYS A 51 -2.598 -2.505 12.096 1.00 63.23 H new ATOM 0 HZ3 LYS A 51 -3.623 -3.228 13.240 1.00 63.23 H new ATOM 863 N SER A 52 -11.243 -1.509 11.254 1.00 11.11 N ATOM 864 CA SER A 52 -12.462 -1.315 12.027 1.00 13.11 C ATOM 865 C SER A 52 -13.686 -1.846 11.279 1.00 13.53 C ATOM 866 O SER A 52 -14.798 -1.825 11.798 1.00 20.42 O ATOM 867 CB SER A 52 -12.646 0.164 12.363 1.00 2.01 C ATOM 868 OG SER A 52 -11.488 0.689 12.993 1.00 42.05 O ATOM 0 H SER A 52 -11.016 -0.746 10.616 1.00 11.11 H new ATOM 0 HA SER A 52 -12.365 -1.880 12.954 1.00 13.11 H new ATOM 0 HB2 SER A 52 -12.855 0.725 11.452 1.00 2.01 H new ATOM 0 HB3 SER A 52 -13.509 0.288 13.018 1.00 2.01 H new ATOM 0 HG SER A 52 -10.814 0.902 12.314 1.00 42.05 H new ATOM 874 N GLY A 53 -13.474 -2.326 10.059 1.00 52.51 N ATOM 875 CA GLY A 53 -14.575 -2.849 9.273 1.00 43.45 C ATOM 876 C GLY A 53 -15.430 -1.750 8.674 1.00 14.25 C ATOM 877 O GLY A 53 -16.600 -1.964 8.341 1.00 55.14 O ATOM 0 H GLY A 53 -12.563 -2.362 9.602 1.00 52.51 H new ATOM 0 HA2 GLY A 53 -14.181 -3.476 8.473 1.00 43.45 H new ATOM 0 HA3 GLY A 53 -15.196 -3.487 9.902 1.00 43.45 H new ATOM 881 N GLU A 54 -14.848 -0.572 8.542 1.00 63.33 N ATOM 882 CA GLU A 54 -15.539 0.564 7.962 1.00 5.50 C ATOM 883 C GLU A 54 -15.490 0.457 6.448 1.00 63.21 C ATOM 884 O GLU A 54 -16.473 0.718 5.762 1.00 23.20 O ATOM 885 CB GLU A 54 -14.883 1.865 8.419 1.00 51.30 C ATOM 886 CG GLU A 54 -14.793 2.013 9.931 1.00 51.21 C ATOM 887 CD GLU A 54 -16.140 2.221 10.586 1.00 33.14 C ATOM 888 OE1 GLU A 54 -16.607 3.374 10.619 1.00 50.40 O ATOM 889 OE2 GLU A 54 -16.730 1.242 11.084 1.00 42.14 O ATOM 0 H GLU A 54 -13.890 -0.377 8.832 1.00 63.33 H new ATOM 0 HA GLU A 54 -16.578 0.566 8.292 1.00 5.50 H new ATOM 0 HB2 GLU A 54 -13.879 1.922 7.998 1.00 51.30 H new ATOM 0 HB3 GLU A 54 -15.446 2.706 8.014 1.00 51.30 H new ATOM 0 HG2 GLU A 54 -14.325 1.122 10.350 1.00 51.21 H new ATOM 0 HG3 GLU A 54 -14.145 2.856 10.170 1.00 51.21 H new ATOM 896 N GLU A 55 -14.334 0.057 5.946 1.00 75.12 N ATOM 897 CA GLU A 55 -14.114 -0.149 4.524 1.00 12.21 C ATOM 898 C GLU A 55 -13.161 -1.303 4.322 1.00 62.51 C ATOM 899 O GLU A 55 -12.289 -1.542 5.152 1.00 13.32 O ATOM 900 CB GLU A 55 -13.539 1.107 3.857 1.00 13.52 C ATOM 901 CG GLU A 55 -14.564 2.183 3.549 1.00 3.53 C ATOM 902 CD GLU A 55 -15.656 1.694 2.617 1.00 74.25 C ATOM 903 OE1 GLU A 55 -15.347 1.342 1.456 1.00 44.12 O ATOM 904 OE2 GLU A 55 -16.833 1.673 3.034 1.00 1.22 O ATOM 0 H GLU A 55 -13.513 -0.136 6.520 1.00 75.12 H new ATOM 0 HA GLU A 55 -15.076 -0.370 4.063 1.00 12.21 H new ATOM 0 HB2 GLU A 55 -12.772 1.529 4.507 1.00 13.52 H new ATOM 0 HB3 GLU A 55 -13.046 0.817 2.929 1.00 13.52 H new ATOM 0 HG2 GLU A 55 -15.013 2.530 4.480 1.00 3.53 H new ATOM 0 HG3 GLU A 55 -14.063 3.040 3.099 1.00 3.53 H new ATOM 911 N ASP A 56 -13.335 -2.025 3.239 1.00 54.42 N ATOM 912 CA ASP A 56 -12.449 -3.132 2.918 1.00 53.15 C ATOM 913 C ASP A 56 -11.200 -2.604 2.249 1.00 51.44 C ATOM 914 O ASP A 56 -11.214 -1.506 1.680 1.00 2.44 O ATOM 915 CB ASP A 56 -13.142 -4.139 1.998 1.00 21.15 C ATOM 916 CG ASP A 56 -14.268 -4.881 2.679 1.00 70.42 C ATOM 917 OD1 ASP A 56 -15.389 -4.324 2.766 1.00 62.30 O ATOM 918 OD2 ASP A 56 -14.047 -6.029 3.120 1.00 3.55 O ATOM 0 H ASP A 56 -14.081 -1.869 2.562 1.00 54.42 H new ATOM 0 HA ASP A 56 -12.183 -3.641 3.844 1.00 53.15 H new ATOM 0 HB2 ASP A 56 -13.534 -3.616 1.125 1.00 21.15 H new ATOM 0 HB3 ASP A 56 -12.407 -4.858 1.636 1.00 21.15 H new ATOM 923 N PHE A 57 -10.124 -3.374 2.305 1.00 13.11 N ATOM 924 CA PHE A 57 -8.868 -2.959 1.698 1.00 32.55 C ATOM 925 C PHE A 57 -9.048 -2.780 0.200 1.00 11.41 C ATOM 926 O PHE A 57 -8.688 -1.750 -0.356 1.00 33.14 O ATOM 927 CB PHE A 57 -7.758 -3.985 1.977 1.00 15.51 C ATOM 928 CG PHE A 57 -6.382 -3.530 1.547 1.00 73.21 C ATOM 929 CD1 PHE A 57 -5.977 -3.639 0.225 1.00 12.32 C ATOM 930 CD2 PHE A 57 -5.498 -2.992 2.468 1.00 33.03 C ATOM 931 CE1 PHE A 57 -4.722 -3.218 -0.166 1.00 33.33 C ATOM 932 CE2 PHE A 57 -4.241 -2.572 2.082 1.00 22.45 C ATOM 933 CZ PHE A 57 -3.853 -2.685 0.764 1.00 71.04 C ATOM 0 H PHE A 57 -10.095 -4.285 2.762 1.00 13.11 H new ATOM 0 HA PHE A 57 -8.572 -2.007 2.140 1.00 32.55 H new ATOM 0 HB2 PHE A 57 -7.740 -4.205 3.044 1.00 15.51 H new ATOM 0 HB3 PHE A 57 -7.999 -4.916 1.463 1.00 15.51 H new ATOM 0 HD1 PHE A 57 -6.651 -4.058 -0.507 1.00 12.32 H new ATOM 0 HD2 PHE A 57 -5.796 -2.900 3.502 1.00 33.03 H new ATOM 0 HE1 PHE A 57 -4.420 -3.306 -1.199 1.00 33.33 H new ATOM 0 HE2 PHE A 57 -3.562 -2.155 2.812 1.00 22.45 H new ATOM 0 HZ PHE A 57 -2.870 -2.357 0.460 1.00 71.04 H new ATOM 943 N GLU A 58 -9.629 -3.786 -0.434 1.00 53.31 N ATOM 944 CA GLU A 58 -9.864 -3.777 -1.872 1.00 14.31 C ATOM 945 C GLU A 58 -10.738 -2.595 -2.275 1.00 1.42 C ATOM 946 O GLU A 58 -10.541 -1.993 -3.336 1.00 62.44 O ATOM 947 CB GLU A 58 -10.527 -5.084 -2.321 1.00 23.51 C ATOM 948 CG GLU A 58 -9.863 -6.344 -1.781 1.00 21.30 C ATOM 949 CD GLU A 58 -10.382 -6.746 -0.415 1.00 70.13 C ATOM 950 OE1 GLU A 58 -9.889 -6.213 0.598 1.00 61.34 O ATOM 951 OE2 GLU A 58 -11.287 -7.601 -0.351 1.00 3.11 O ATOM 0 H GLU A 58 -9.952 -4.633 0.033 1.00 53.31 H new ATOM 0 HA GLU A 58 -8.896 -3.681 -2.364 1.00 14.31 H new ATOM 0 HB2 GLU A 58 -11.571 -5.075 -2.006 1.00 23.51 H new ATOM 0 HB3 GLU A 58 -10.523 -5.124 -3.410 1.00 23.51 H new ATOM 0 HG2 GLU A 58 -10.026 -7.163 -2.481 1.00 21.30 H new ATOM 0 HG3 GLU A 58 -8.786 -6.184 -1.722 1.00 21.30 H new ATOM 958 N SER A 59 -11.693 -2.263 -1.417 1.00 74.41 N ATOM 959 CA SER A 59 -12.602 -1.154 -1.653 1.00 33.24 C ATOM 960 C SER A 59 -11.831 0.162 -1.783 1.00 1.41 C ATOM 961 O SER A 59 -12.174 1.022 -2.602 1.00 43.22 O ATOM 962 CB SER A 59 -13.626 -1.064 -0.513 1.00 32.34 C ATOM 963 OG SER A 59 -14.519 0.018 -0.702 1.00 53.33 O ATOM 0 H SER A 59 -11.858 -2.755 -0.539 1.00 74.41 H new ATOM 0 HA SER A 59 -13.130 -1.331 -2.590 1.00 33.24 H new ATOM 0 HB2 SER A 59 -14.189 -1.996 -0.454 1.00 32.34 H new ATOM 0 HB3 SER A 59 -13.105 -0.945 0.437 1.00 32.34 H new ATOM 0 HG SER A 59 -14.730 0.423 0.165 1.00 53.33 H new ATOM 969 N LEU A 60 -10.785 0.306 -0.986 1.00 3.24 N ATOM 970 CA LEU A 60 -9.973 1.508 -1.008 1.00 2.25 C ATOM 971 C LEU A 60 -8.831 1.379 -2.014 1.00 23.23 C ATOM 972 O LEU A 60 -8.393 2.369 -2.597 1.00 53.14 O ATOM 973 CB LEU A 60 -9.424 1.802 0.390 1.00 75.52 C ATOM 974 CG LEU A 60 -10.478 2.021 1.482 1.00 12.41 C ATOM 975 CD1 LEU A 60 -9.816 2.221 2.832 1.00 13.11 C ATOM 976 CD2 LEU A 60 -11.366 3.212 1.142 1.00 3.24 C ATOM 0 H LEU A 60 -10.479 -0.398 -0.314 1.00 3.24 H new ATOM 0 HA LEU A 60 -10.604 2.340 -1.320 1.00 2.25 H new ATOM 0 HB2 LEU A 60 -8.782 0.974 0.690 1.00 75.52 H new ATOM 0 HB3 LEU A 60 -8.794 2.690 0.334 1.00 75.52 H new ATOM 0 HG LEU A 60 -11.104 1.130 1.534 1.00 12.41 H new ATOM 0 HD11 LEU A 60 -10.581 2.375 3.593 1.00 13.11 H new ATOM 0 HD12 LEU A 60 -9.227 1.339 3.083 1.00 13.11 H new ATOM 0 HD13 LEU A 60 -9.164 3.093 2.792 1.00 13.11 H new ATOM 0 HD21 LEU A 60 -12.107 3.350 1.929 1.00 3.24 H new ATOM 0 HD22 LEU A 60 -10.754 4.110 1.058 1.00 3.24 H new ATOM 0 HD23 LEU A 60 -11.873 3.029 0.195 1.00 3.24 H new ATOM 988 N ALA A 61 -8.364 0.153 -2.222 1.00 14.50 N ATOM 989 CA ALA A 61 -7.272 -0.115 -3.155 1.00 71.21 C ATOM 990 C ALA A 61 -7.642 0.295 -4.572 1.00 42.40 C ATOM 991 O ALA A 61 -6.960 1.099 -5.189 1.00 54.30 O ATOM 992 CB ALA A 61 -6.878 -1.583 -3.111 1.00 33.40 C ATOM 0 H ALA A 61 -8.727 -0.678 -1.754 1.00 14.50 H new ATOM 0 HA ALA A 61 -6.416 0.485 -2.846 1.00 71.21 H new ATOM 0 HB1 ALA A 61 -6.063 -1.762 -3.813 1.00 33.40 H new ATOM 0 HB2 ALA A 61 -6.553 -1.842 -2.104 1.00 33.40 H new ATOM 0 HB3 ALA A 61 -7.735 -2.198 -3.385 1.00 33.40 H new ATOM 998 N SER A 62 -8.740 -0.232 -5.068 1.00 25.13 N ATOM 999 CA SER A 62 -9.199 0.077 -6.417 1.00 44.32 C ATOM 1000 C SER A 62 -9.711 1.521 -6.512 1.00 45.12 C ATOM 1001 O SER A 62 -10.087 1.995 -7.587 1.00 11.02 O ATOM 1002 CB SER A 62 -10.298 -0.897 -6.820 1.00 34.13 C ATOM 1003 OG SER A 62 -9.913 -2.231 -6.530 1.00 33.15 O ATOM 0 H SER A 62 -9.339 -0.881 -4.559 1.00 25.13 H new ATOM 0 HA SER A 62 -8.355 -0.025 -7.099 1.00 44.32 H new ATOM 0 HB2 SER A 62 -11.219 -0.655 -6.289 1.00 34.13 H new ATOM 0 HB3 SER A 62 -10.508 -0.797 -7.885 1.00 34.13 H new ATOM 0 HG SER A 62 -8.952 -2.336 -6.689 1.00 33.15 H new ATOM 1009 N GLN A 63 -9.733 2.207 -5.385 1.00 1.13 N ATOM 1010 CA GLN A 63 -10.253 3.552 -5.328 1.00 53.35 C ATOM 1011 C GLN A 63 -9.136 4.604 -5.275 1.00 22.22 C ATOM 1012 O GLN A 63 -9.204 5.613 -5.967 1.00 3.11 O ATOM 1013 CB GLN A 63 -11.168 3.692 -4.118 1.00 21.32 C ATOM 1014 CG GLN A 63 -11.970 4.977 -4.082 1.00 31.52 C ATOM 1015 CD GLN A 63 -12.863 5.068 -2.860 1.00 23.54 C ATOM 1016 OE1 GLN A 63 -13.286 3.929 -2.346 1.00 4.22 O flip ATOM 1017 NE2 GLN A 63 -13.161 6.157 -2.378 1.00 11.52 N flip ATOM 0 H GLN A 63 -9.393 1.848 -4.493 1.00 1.13 H new ATOM 0 HA GLN A 63 -10.818 3.732 -6.243 1.00 53.35 H new ATOM 0 HB2 GLN A 63 -11.857 2.848 -4.100 1.00 21.32 H new ATOM 0 HB3 GLN A 63 -10.564 3.630 -3.213 1.00 21.32 H new ATOM 0 HG2 GLN A 63 -11.289 5.828 -4.095 1.00 31.52 H new ATOM 0 HG3 GLN A 63 -12.582 5.045 -4.981 1.00 31.52 H new ATOM 0 HE21 GLN A 63 -12.814 7.016 -2.805 1.00 11.52 H new ATOM 0 HE22 GLN A 63 -13.756 6.203 -1.551 1.00 11.52 H new ATOM 1026 N PHE A 64 -8.113 4.366 -4.462 1.00 52.42 N ATOM 1027 CA PHE A 64 -7.054 5.364 -4.283 1.00 30.54 C ATOM 1028 C PHE A 64 -5.687 4.906 -4.798 1.00 44.21 C ATOM 1029 O PHE A 64 -4.754 5.704 -4.848 1.00 64.20 O ATOM 1030 CB PHE A 64 -6.940 5.767 -2.810 1.00 24.13 C ATOM 1031 CG PHE A 64 -8.168 6.441 -2.267 1.00 4.25 C ATOM 1032 CD1 PHE A 64 -8.440 7.764 -2.575 1.00 32.22 C ATOM 1033 CD2 PHE A 64 -9.047 5.753 -1.447 1.00 43.22 C ATOM 1034 CE1 PHE A 64 -9.566 8.389 -2.076 1.00 72.45 C ATOM 1035 CE2 PHE A 64 -10.174 6.373 -0.945 1.00 44.25 C ATOM 1036 CZ PHE A 64 -10.434 7.693 -1.260 1.00 42.01 C ATOM 0 H PHE A 64 -7.991 3.509 -3.923 1.00 52.42 H new ATOM 0 HA PHE A 64 -7.348 6.223 -4.886 1.00 30.54 H new ATOM 0 HB2 PHE A 64 -6.732 4.878 -2.215 1.00 24.13 H new ATOM 0 HB3 PHE A 64 -6.088 6.436 -2.691 1.00 24.13 H new ATOM 0 HD1 PHE A 64 -7.763 8.313 -3.213 1.00 32.22 H new ATOM 0 HD2 PHE A 64 -8.849 4.721 -1.198 1.00 43.22 H new ATOM 0 HE1 PHE A 64 -9.767 9.421 -2.324 1.00 72.45 H new ATOM 0 HE2 PHE A 64 -10.852 5.826 -0.306 1.00 44.25 H new ATOM 0 HZ PHE A 64 -11.315 8.179 -0.868 1.00 42.01 H new ATOM 1046 N SER A 65 -5.558 3.647 -5.175 1.00 51.13 N ATOM 1047 CA SER A 65 -4.272 3.150 -5.642 1.00 73.32 C ATOM 1048 C SER A 65 -4.139 3.328 -7.159 1.00 11.34 C ATOM 1049 O SER A 65 -5.103 3.136 -7.909 1.00 75.32 O ATOM 1050 CB SER A 65 -4.074 1.689 -5.235 1.00 63.40 C ATOM 1051 OG SER A 65 -2.719 1.303 -5.356 1.00 63.02 O ATOM 0 H SER A 65 -6.311 2.959 -5.169 1.00 51.13 H new ATOM 0 HA SER A 65 -3.485 3.737 -5.167 1.00 73.32 H new ATOM 0 HB2 SER A 65 -4.405 1.548 -4.206 1.00 63.40 H new ATOM 0 HB3 SER A 65 -4.695 1.047 -5.860 1.00 63.40 H new ATOM 0 HG SER A 65 -2.663 0.452 -5.838 1.00 63.02 H new ATOM 1057 N ASP A 66 -2.941 3.695 -7.599 1.00 55.01 N ATOM 1058 CA ASP A 66 -2.682 3.987 -9.016 1.00 52.12 C ATOM 1059 C ASP A 66 -2.080 2.792 -9.764 1.00 53.11 C ATOM 1060 O ASP A 66 -2.123 2.741 -10.997 1.00 61.24 O ATOM 1061 CB ASP A 66 -1.753 5.205 -9.128 1.00 13.42 C ATOM 1062 CG ASP A 66 -1.403 5.591 -10.563 1.00 34.04 C ATOM 1063 OD1 ASP A 66 -2.325 5.770 -11.381 1.00 23.45 O ATOM 1064 OD2 ASP A 66 -0.191 5.738 -10.868 1.00 10.12 O ATOM 0 H ASP A 66 -2.125 3.800 -6.996 1.00 55.01 H new ATOM 0 HA ASP A 66 -3.641 4.203 -9.487 1.00 52.12 H new ATOM 0 HB2 ASP A 66 -2.227 6.056 -8.639 1.00 13.42 H new ATOM 0 HB3 ASP A 66 -0.832 4.997 -8.584 1.00 13.42 H new ATOM 1069 N ASP A 67 -1.544 1.824 -9.029 1.00 24.41 N ATOM 1070 CA ASP A 67 -0.893 0.669 -9.662 1.00 64.52 C ATOM 1071 C ASP A 67 -1.896 -0.163 -10.471 1.00 71.23 C ATOM 1072 O ASP A 67 -3.106 -0.076 -10.263 1.00 14.33 O ATOM 1073 CB ASP A 67 -0.156 -0.206 -8.633 1.00 45.12 C ATOM 1074 CG ASP A 67 -1.080 -1.021 -7.757 1.00 50.14 C ATOM 1075 OD1 ASP A 67 -1.522 -0.509 -6.716 1.00 33.53 O ATOM 1076 OD2 ASP A 67 -1.339 -2.189 -8.092 1.00 3.42 O ATOM 0 H ASP A 67 -1.543 1.809 -8.009 1.00 24.41 H new ATOM 0 HA ASP A 67 -0.147 1.061 -10.353 1.00 64.52 H new ATOM 0 HB2 ASP A 67 0.520 -0.880 -9.160 1.00 45.12 H new ATOM 0 HB3 ASP A 67 0.460 0.433 -8.001 1.00 45.12 H new ATOM 1081 N SER A 68 -1.385 -0.970 -11.383 1.00 54.10 N ATOM 1082 CA SER A 68 -2.227 -1.747 -12.288 1.00 30.54 C ATOM 1083 C SER A 68 -2.962 -2.881 -11.567 1.00 34.21 C ATOM 1084 O SER A 68 -4.003 -3.349 -12.031 1.00 62.13 O ATOM 1085 CB SER A 68 -1.386 -2.306 -13.430 1.00 2.13 C ATOM 1086 OG SER A 68 -0.638 -1.274 -14.062 1.00 23.44 O ATOM 0 H SER A 68 -0.384 -1.108 -11.521 1.00 54.10 H new ATOM 0 HA SER A 68 -2.986 -1.074 -12.688 1.00 30.54 H new ATOM 0 HB2 SER A 68 -0.709 -3.070 -13.048 1.00 2.13 H new ATOM 0 HB3 SER A 68 -2.034 -2.791 -14.160 1.00 2.13 H new ATOM 0 HG SER A 68 -0.105 -1.656 -14.790 1.00 23.44 H new ATOM 1092 N SER A 69 -2.432 -3.311 -10.439 1.00 63.14 N ATOM 1093 CA SER A 69 -3.044 -4.380 -9.676 1.00 44.30 C ATOM 1094 C SER A 69 -4.153 -3.833 -8.781 1.00 71.43 C ATOM 1095 O SER A 69 -4.948 -4.590 -8.230 1.00 1.34 O ATOM 1096 CB SER A 69 -1.990 -5.106 -8.844 1.00 61.41 C ATOM 1097 OG SER A 69 -0.913 -5.543 -9.662 1.00 62.21 O ATOM 0 H SER A 69 -1.577 -2.935 -10.030 1.00 63.14 H new ATOM 0 HA SER A 69 -3.488 -5.093 -10.371 1.00 44.30 H new ATOM 0 HB2 SER A 69 -1.615 -4.442 -8.065 1.00 61.41 H new ATOM 0 HB3 SER A 69 -2.442 -5.962 -8.343 1.00 61.41 H new ATOM 0 HG SER A 69 -0.248 -6.004 -9.109 1.00 62.21 H new ATOM 1103 N ALA A 70 -4.196 -2.509 -8.646 1.00 63.13 N ATOM 1104 CA ALA A 70 -5.213 -1.841 -7.844 1.00 51.01 C ATOM 1105 C ALA A 70 -6.604 -2.151 -8.362 1.00 12.01 C ATOM 1106 O ALA A 70 -7.508 -2.446 -7.589 1.00 25.11 O ATOM 1107 CB ALA A 70 -4.985 -0.346 -7.840 1.00 70.44 C ATOM 0 H ALA A 70 -3.530 -1.874 -9.087 1.00 63.13 H new ATOM 0 HA ALA A 70 -5.134 -2.215 -6.823 1.00 51.01 H new ATOM 0 HB1 ALA A 70 -5.753 0.138 -7.237 1.00 70.44 H new ATOM 0 HB2 ALA A 70 -4.003 -0.129 -7.420 1.00 70.44 H new ATOM 0 HB3 ALA A 70 -5.034 0.032 -8.861 1.00 70.44 H new ATOM 1113 N LYS A 71 -6.768 -2.103 -9.682 1.00 22.40 N ATOM 1114 CA LYS A 71 -8.057 -2.397 -10.305 1.00 70.14 C ATOM 1115 C LYS A 71 -8.363 -3.895 -10.227 1.00 14.04 C ATOM 1116 O LYS A 71 -9.444 -4.341 -10.585 1.00 71.15 O ATOM 1117 CB LYS A 71 -8.084 -1.903 -11.758 1.00 13.32 C ATOM 1118 CG LYS A 71 -7.042 -2.549 -12.658 1.00 74.21 C ATOM 1119 CD LYS A 71 -6.945 -1.840 -14.004 1.00 64.53 C ATOM 1120 CE LYS A 71 -8.259 -1.885 -14.768 1.00 25.45 C ATOM 1121 NZ LYS A 71 -8.165 -1.166 -16.065 1.00 11.23 N ATOM 0 H LYS A 71 -6.026 -1.864 -10.340 1.00 22.40 H new ATOM 0 HA LYS A 71 -8.834 -1.865 -9.756 1.00 70.14 H new ATOM 0 HB2 LYS A 71 -9.074 -2.090 -12.175 1.00 13.32 H new ATOM 0 HB3 LYS A 71 -7.934 -0.823 -11.765 1.00 13.32 H new ATOM 0 HG2 LYS A 71 -6.071 -2.528 -12.164 1.00 74.21 H new ATOM 0 HG3 LYS A 71 -7.296 -3.597 -12.816 1.00 74.21 H new ATOM 0 HD2 LYS A 71 -6.653 -0.802 -13.847 1.00 64.53 H new ATOM 0 HD3 LYS A 71 -6.162 -2.304 -14.603 1.00 64.53 H new ATOM 0 HE2 LYS A 71 -8.541 -2.923 -14.947 1.00 25.45 H new ATOM 0 HE3 LYS A 71 -9.048 -1.440 -14.162 1.00 25.45 H new ATOM 0 HZ1 LYS A 71 -9.079 -1.218 -16.558 1.00 11.23 H new ATOM 0 HZ2 LYS A 71 -7.921 -0.170 -15.893 1.00 11.23 H new ATOM 0 HZ3 LYS A 71 -7.429 -1.606 -16.653 1.00 11.23 H new ATOM 1135 N ALA A 72 -7.391 -4.654 -9.750 1.00 34.44 N ATOM 1136 CA ALA A 72 -7.547 -6.079 -9.540 1.00 52.14 C ATOM 1137 C ALA A 72 -7.701 -6.339 -8.044 1.00 72.02 C ATOM 1138 O ALA A 72 -7.228 -7.350 -7.516 1.00 75.51 O ATOM 1139 CB ALA A 72 -6.342 -6.827 -10.097 1.00 12.03 C ATOM 0 H ALA A 72 -6.470 -4.296 -9.498 1.00 34.44 H new ATOM 0 HA ALA A 72 -8.434 -6.437 -10.062 1.00 52.14 H new ATOM 0 HB1 ALA A 72 -6.470 -7.897 -9.933 1.00 12.03 H new ATOM 0 HB2 ALA A 72 -6.254 -6.631 -11.166 1.00 12.03 H new ATOM 0 HB3 ALA A 72 -5.438 -6.489 -9.591 1.00 12.03 H new ATOM 1145 N ARG A 73 -8.363 -5.381 -7.372 1.00 3.33 N ATOM 1146 CA ARG A 73 -8.639 -5.416 -5.922 1.00 51.04 C ATOM 1147 C ARG A 73 -7.412 -5.039 -5.087 1.00 11.23 C ATOM 1148 O ARG A 73 -7.501 -4.908 -3.872 1.00 30.11 O ATOM 1149 CB ARG A 73 -9.200 -6.775 -5.477 1.00 42.22 C ATOM 1150 CG ARG A 73 -10.509 -7.150 -6.151 1.00 61.41 C ATOM 1151 CD ARG A 73 -11.080 -8.436 -5.578 1.00 64.35 C ATOM 1152 NE ARG A 73 -11.441 -8.291 -4.169 1.00 41.30 N ATOM 1153 CZ ARG A 73 -12.695 -8.180 -3.719 1.00 14.33 C ATOM 1154 NH1 ARG A 73 -13.715 -8.192 -4.570 1.00 42.11 N ATOM 1155 NH2 ARG A 73 -12.927 -8.046 -2.420 1.00 33.33 N ATOM 0 H ARG A 73 -8.728 -4.545 -7.828 1.00 3.33 H new ATOM 0 HA ARG A 73 -9.404 -4.661 -5.741 1.00 51.04 H new ATOM 0 HB2 ARG A 73 -8.461 -7.548 -5.685 1.00 42.22 H new ATOM 0 HB3 ARG A 73 -9.350 -6.760 -4.397 1.00 42.22 H new ATOM 0 HG2 ARG A 73 -11.230 -6.342 -6.024 1.00 61.41 H new ATOM 0 HG3 ARG A 73 -10.347 -7.268 -7.223 1.00 61.41 H new ATOM 0 HD2 ARG A 73 -11.960 -8.729 -6.150 1.00 64.35 H new ATOM 0 HD3 ARG A 73 -10.349 -9.237 -5.685 1.00 64.35 H new ATOM 0 HE ARG A 73 -10.686 -8.273 -3.483 1.00 41.30 H new ATOM 0 HH11 ARG A 73 -13.543 -8.286 -5.571 1.00 42.11 H new ATOM 0 HH12 ARG A 73 -14.670 -8.107 -4.222 1.00 42.11 H new ATOM 0 HH21 ARG A 73 -12.148 -8.027 -1.762 1.00 33.33 H new ATOM 0 HH22 ARG A 73 -13.885 -7.961 -2.079 1.00 33.33 H new ATOM 1169 N GLY A 74 -6.273 -4.867 -5.742 1.00 12.24 N ATOM 1170 CA GLY A 74 -5.057 -4.488 -5.037 1.00 74.14 C ATOM 1171 C GLY A 74 -4.344 -5.673 -4.415 1.00 31.24 C ATOM 1172 O GLY A 74 -3.186 -5.563 -3.996 1.00 34.31 O ATOM 0 H GLY A 74 -6.165 -4.982 -6.750 1.00 12.24 H new ATOM 0 HA2 GLY A 74 -4.382 -3.987 -5.731 1.00 74.14 H new ATOM 0 HA3 GLY A 74 -5.304 -3.768 -4.257 1.00 74.14 H new ATOM 1176 N ASP A 75 -5.028 -6.804 -4.357 1.00 61.11 N ATOM 1177 CA ASP A 75 -4.471 -8.015 -3.774 1.00 45.34 C ATOM 1178 C ASP A 75 -3.488 -8.673 -4.720 1.00 2.12 C ATOM 1179 O ASP A 75 -3.809 -8.936 -5.883 1.00 20.41 O ATOM 1180 CB ASP A 75 -5.583 -8.996 -3.402 1.00 33.31 C ATOM 1181 CG ASP A 75 -5.051 -10.311 -2.852 1.00 70.34 C ATOM 1182 OD1 ASP A 75 -4.412 -10.302 -1.778 1.00 74.44 O ATOM 1183 OD2 ASP A 75 -5.273 -11.362 -3.500 1.00 11.42 O ATOM 0 H ASP A 75 -5.979 -6.909 -4.710 1.00 61.11 H new ATOM 0 HA ASP A 75 -3.936 -7.732 -2.867 1.00 45.34 H new ATOM 0 HB2 ASP A 75 -6.235 -8.535 -2.660 1.00 33.31 H new ATOM 0 HB3 ASP A 75 -6.194 -9.196 -4.282 1.00 33.31 H new ATOM 1188 N LEU A 76 -2.295 -8.930 -4.227 1.00 73.44 N ATOM 1189 CA LEU A 76 -1.264 -9.563 -5.019 1.00 14.45 C ATOM 1190 C LEU A 76 -1.194 -11.038 -4.696 1.00 13.20 C ATOM 1191 O LEU A 76 -1.817 -11.509 -3.744 1.00 54.15 O ATOM 1192 CB LEU A 76 0.100 -8.921 -4.748 1.00 40.23 C ATOM 1193 CG LEU A 76 0.208 -7.425 -5.024 1.00 50.52 C ATOM 1194 CD1 LEU A 76 1.576 -6.913 -4.611 1.00 22.15 C ATOM 1195 CD2 LEU A 76 -0.048 -7.133 -6.493 1.00 72.51 C ATOM 0 H LEU A 76 -2.014 -8.707 -3.272 1.00 73.44 H new ATOM 0 HA LEU A 76 -1.515 -9.430 -6.071 1.00 14.45 H new ATOM 0 HB2 LEU A 76 0.359 -9.096 -3.704 1.00 40.23 H new ATOM 0 HB3 LEU A 76 0.847 -9.436 -5.353 1.00 40.23 H new ATOM 0 HG LEU A 76 -0.550 -6.908 -4.436 1.00 50.52 H new ATOM 0 HD11 LEU A 76 1.641 -5.844 -4.813 1.00 22.15 H new ATOM 0 HD12 LEU A 76 1.725 -7.091 -3.546 1.00 22.15 H new ATOM 0 HD13 LEU A 76 2.347 -7.436 -5.177 1.00 22.15 H new ATOM 0 HD21 LEU A 76 0.033 -6.061 -6.670 1.00 72.51 H new ATOM 0 HD22 LEU A 76 0.688 -7.658 -7.102 1.00 72.51 H new ATOM 0 HD23 LEU A 76 -1.049 -7.470 -6.762 1.00 72.51 H new ATOM 1207 N GLY A 77 -0.449 -11.761 -5.485 1.00 11.44 N ATOM 1208 CA GLY A 77 -0.271 -13.172 -5.248 1.00 21.53 C ATOM 1209 C GLY A 77 0.962 -13.428 -4.424 1.00 32.32 C ATOM 1210 O GLY A 77 1.554 -12.491 -3.892 1.00 20.23 O ATOM 0 H GLY A 77 0.047 -11.399 -6.300 1.00 11.44 H new ATOM 0 HA2 GLY A 77 -1.146 -13.572 -4.735 1.00 21.53 H new ATOM 0 HA3 GLY A 77 -0.193 -13.697 -6.200 1.00 21.53 H new ATOM 1214 N ALA A 78 1.359 -14.677 -4.309 1.00 2.42 N ATOM 1215 CA ALA A 78 2.551 -15.009 -3.559 1.00 42.22 C ATOM 1216 C ALA A 78 3.785 -14.676 -4.379 1.00 1.21 C ATOM 1217 O ALA A 78 4.077 -15.339 -5.374 1.00 13.14 O ATOM 1218 CB ALA A 78 2.546 -16.479 -3.169 1.00 4.23 C ATOM 0 H ALA A 78 0.877 -15.475 -4.723 1.00 2.42 H new ATOM 0 HA ALA A 78 2.568 -14.418 -2.643 1.00 42.22 H new ATOM 0 HB1 ALA A 78 3.450 -16.709 -2.606 1.00 4.23 H new ATOM 0 HB2 ALA A 78 1.672 -16.689 -2.553 1.00 4.23 H new ATOM 0 HB3 ALA A 78 2.512 -17.094 -4.068 1.00 4.23 H new ATOM 1224 N PHE A 79 4.503 -13.655 -3.967 1.00 65.14 N ATOM 1225 CA PHE A 79 5.688 -13.218 -4.687 1.00 73.23 C ATOM 1226 C PHE A 79 6.931 -13.379 -3.836 1.00 41.21 C ATOM 1227 O PHE A 79 6.849 -13.425 -2.608 1.00 44.21 O ATOM 1228 CB PHE A 79 5.540 -11.756 -5.148 1.00 3.43 C ATOM 1229 CG PHE A 79 5.287 -10.776 -4.029 1.00 44.04 C ATOM 1230 CD1 PHE A 79 6.342 -10.212 -3.326 1.00 70.01 C ATOM 1231 CD2 PHE A 79 3.995 -10.422 -3.682 1.00 45.34 C ATOM 1232 CE1 PHE A 79 6.110 -9.317 -2.301 1.00 50.24 C ATOM 1233 CE2 PHE A 79 3.758 -9.529 -2.659 1.00 64.22 C ATOM 1234 CZ PHE A 79 4.817 -8.975 -1.967 1.00 21.14 C ATOM 0 H PHE A 79 4.289 -13.107 -3.134 1.00 65.14 H new ATOM 0 HA PHE A 79 5.794 -13.850 -5.569 1.00 73.23 H new ATOM 0 HB2 PHE A 79 6.446 -11.460 -5.677 1.00 3.43 H new ATOM 0 HB3 PHE A 79 4.719 -11.694 -5.863 1.00 3.43 H new ATOM 0 HD1 PHE A 79 7.357 -10.476 -3.584 1.00 70.01 H new ATOM 0 HD2 PHE A 79 3.162 -10.851 -4.219 1.00 45.34 H new ATOM 0 HE1 PHE A 79 6.940 -8.885 -1.762 1.00 50.24 H new ATOM 0 HE2 PHE A 79 2.744 -9.263 -2.399 1.00 64.22 H new ATOM 0 HZ PHE A 79 4.632 -8.275 -1.166 1.00 21.14 H new ATOM 1244 N SER A 80 8.072 -13.474 -4.490 1.00 15.53 N ATOM 1245 CA SER A 80 9.334 -13.599 -3.803 1.00 33.24 C ATOM 1246 C SER A 80 9.789 -12.231 -3.308 1.00 41.20 C ATOM 1247 O SER A 80 9.412 -11.201 -3.875 1.00 11.51 O ATOM 1248 CB SER A 80 10.386 -14.211 -4.740 1.00 51.02 C ATOM 1249 OG SER A 80 11.634 -14.363 -4.089 1.00 10.53 O ATOM 0 H SER A 80 8.146 -13.466 -5.507 1.00 15.53 H new ATOM 0 HA SER A 80 9.212 -14.259 -2.944 1.00 33.24 H new ATOM 0 HB2 SER A 80 10.039 -15.181 -5.094 1.00 51.02 H new ATOM 0 HB3 SER A 80 10.507 -13.576 -5.617 1.00 51.02 H new ATOM 0 HG SER A 80 12.282 -14.756 -4.711 1.00 10.53 H new ATOM 1255 N ARG A 81 10.592 -12.224 -2.253 1.00 55.35 N ATOM 1256 CA ARG A 81 11.092 -10.982 -1.676 1.00 0.12 C ATOM 1257 C ARG A 81 11.922 -10.197 -2.686 1.00 1.33 C ATOM 1258 O ARG A 81 11.893 -8.967 -2.707 1.00 3.24 O ATOM 1259 CB ARG A 81 11.912 -11.261 -0.410 1.00 42.11 C ATOM 1260 CG ARG A 81 13.099 -12.180 -0.617 1.00 43.45 C ATOM 1261 CD ARG A 81 13.906 -12.320 0.656 1.00 62.11 C ATOM 1262 NE ARG A 81 15.029 -13.243 0.501 1.00 20.01 N ATOM 1263 CZ ARG A 81 15.709 -13.769 1.523 1.00 1.41 C ATOM 1264 NH1 ARG A 81 15.372 -13.468 2.772 1.00 22.53 N ATOM 1265 NH2 ARG A 81 16.723 -14.593 1.293 1.00 23.20 N ATOM 0 H ARG A 81 10.913 -13.067 -1.777 1.00 55.35 H new ATOM 0 HA ARG A 81 10.230 -10.374 -1.403 1.00 0.12 H new ATOM 0 HB2 ARG A 81 12.269 -10.313 -0.008 1.00 42.11 H new ATOM 0 HB3 ARG A 81 11.256 -11.700 0.342 1.00 42.11 H new ATOM 0 HG2 ARG A 81 12.752 -13.161 -0.941 1.00 43.45 H new ATOM 0 HG3 ARG A 81 13.733 -11.788 -1.412 1.00 43.45 H new ATOM 0 HD2 ARG A 81 14.281 -11.341 0.955 1.00 62.11 H new ATOM 0 HD3 ARG A 81 13.257 -12.672 1.458 1.00 62.11 H new ATOM 0 HE ARG A 81 15.310 -13.501 -0.445 1.00 20.01 H new ATOM 0 HH11 ARG A 81 14.593 -12.834 2.951 1.00 22.53 H new ATOM 0 HH12 ARG A 81 15.892 -13.870 3.552 1.00 22.53 H new ATOM 0 HH21 ARG A 81 16.984 -14.825 0.335 1.00 23.20 H new ATOM 0 HH22 ARG A 81 17.242 -14.994 2.074 1.00 23.20 H new ATOM 1279 N GLY A 82 12.624 -10.916 -3.551 1.00 45.54 N ATOM 1280 CA GLY A 82 13.459 -10.279 -4.547 1.00 53.25 C ATOM 1281 C GLY A 82 12.677 -9.784 -5.751 1.00 41.30 C ATOM 1282 O GLY A 82 13.199 -9.742 -6.862 1.00 3.21 O ATOM 0 H GLY A 82 12.629 -11.936 -3.580 1.00 45.54 H new ATOM 0 HA2 GLY A 82 13.982 -9.439 -4.090 1.00 53.25 H new ATOM 0 HA3 GLY A 82 14.220 -10.985 -4.880 1.00 53.25 H new ATOM 1286 N GLN A 83 11.422 -9.423 -5.536 1.00 1.34 N ATOM 1287 CA GLN A 83 10.581 -8.907 -6.606 1.00 34.52 C ATOM 1288 C GLN A 83 9.996 -7.553 -6.221 1.00 44.35 C ATOM 1289 O GLN A 83 9.246 -6.949 -6.992 1.00 24.43 O ATOM 1290 CB GLN A 83 9.440 -9.877 -6.918 1.00 51.02 C ATOM 1291 CG GLN A 83 9.886 -11.277 -7.303 1.00 3.11 C ATOM 1292 CD GLN A 83 8.716 -12.188 -7.636 1.00 3.12 C ATOM 1293 OE1 GLN A 83 8.767 -13.396 -7.408 1.00 53.13 O ATOM 1294 NE2 GLN A 83 7.655 -11.616 -8.173 1.00 62.22 N ATOM 0 H GLN A 83 10.961 -9.478 -4.628 1.00 1.34 H new ATOM 0 HA GLN A 83 11.205 -8.793 -7.492 1.00 34.52 H new ATOM 0 HB2 GLN A 83 8.790 -9.944 -6.046 1.00 51.02 H new ATOM 0 HB3 GLN A 83 8.842 -9.464 -7.731 1.00 51.02 H new ATOM 0 HG2 GLN A 83 10.554 -11.219 -8.163 1.00 3.11 H new ATOM 0 HG3 GLN A 83 10.459 -11.711 -6.483 1.00 3.11 H new ATOM 0 HE21 GLN A 83 7.651 -10.611 -8.347 1.00 62.22 H new ATOM 0 HE22 GLN A 83 6.839 -12.179 -8.414 1.00 62.22 H new ATOM 1303 N MET A 84 10.338 -7.080 -5.031 1.00 24.04 N ATOM 1304 CA MET A 84 9.810 -5.815 -4.528 1.00 62.43 C ATOM 1305 C MET A 84 10.903 -4.977 -3.888 1.00 24.15 C ATOM 1306 O MET A 84 12.021 -5.454 -3.672 1.00 55.32 O ATOM 1307 CB MET A 84 8.692 -6.065 -3.508 1.00 44.20 C ATOM 1308 CG MET A 84 7.388 -6.555 -4.116 1.00 34.11 C ATOM 1309 SD MET A 84 6.571 -5.298 -5.120 1.00 51.20 S ATOM 1310 CE MET A 84 5.121 -6.200 -5.659 1.00 45.03 C ATOM 0 H MET A 84 10.979 -7.552 -4.394 1.00 24.04 H new ATOM 0 HA MET A 84 9.406 -5.267 -5.379 1.00 62.43 H new ATOM 0 HB2 MET A 84 9.038 -6.799 -2.780 1.00 44.20 H new ATOM 0 HB3 MET A 84 8.500 -5.141 -2.963 1.00 44.20 H new ATOM 0 HG2 MET A 84 7.586 -7.433 -4.731 1.00 34.11 H new ATOM 0 HG3 MET A 84 6.716 -6.870 -3.318 1.00 34.11 H new ATOM 0 HE1 MET A 84 4.508 -5.559 -6.292 1.00 45.03 H new ATOM 0 HE2 MET A 84 5.429 -7.080 -6.224 1.00 45.03 H new ATOM 0 HE3 MET A 84 4.542 -6.511 -4.789 1.00 45.03 H new ATOM 1320 N GLN A 85 10.570 -3.725 -3.591 1.00 4.53 N ATOM 1321 CA GLN A 85 11.495 -2.800 -2.942 1.00 23.21 C ATOM 1322 C GLN A 85 11.864 -3.320 -1.558 1.00 11.02 C ATOM 1323 O GLN A 85 11.067 -4.009 -0.928 1.00 53.24 O ATOM 1324 CB GLN A 85 10.848 -1.414 -2.814 1.00 44.35 C ATOM 1325 CG GLN A 85 10.421 -0.798 -4.139 1.00 20.13 C ATOM 1326 CD GLN A 85 11.591 -0.524 -5.058 1.00 2.15 C ATOM 1327 OE1 GLN A 85 11.982 -1.376 -5.858 1.00 10.54 O ATOM 1328 NE2 GLN A 85 12.148 0.665 -4.965 1.00 23.04 N ATOM 0 H GLN A 85 9.654 -3.323 -3.792 1.00 4.53 H new ATOM 0 HA GLN A 85 12.397 -2.720 -3.549 1.00 23.21 H new ATOM 0 HB2 GLN A 85 9.976 -1.491 -2.165 1.00 44.35 H new ATOM 0 HB3 GLN A 85 11.552 -0.741 -2.324 1.00 44.35 H new ATOM 0 HG2 GLN A 85 9.721 -1.468 -4.638 1.00 20.13 H new ATOM 0 HG3 GLN A 85 9.889 0.134 -3.947 1.00 20.13 H new ATOM 0 HE21 GLN A 85 11.794 1.342 -4.289 1.00 23.04 H new ATOM 0 HE22 GLN A 85 12.933 0.909 -5.569 1.00 23.04 H new ATOM 1337 N LYS A 86 13.057 -2.987 -1.087 1.00 4.34 N ATOM 1338 CA LYS A 86 13.512 -3.446 0.229 1.00 40.12 C ATOM 1339 C LYS A 86 12.553 -3.024 1.366 1.00 10.22 C ATOM 1340 O LYS A 86 12.101 -3.877 2.127 1.00 73.00 O ATOM 1341 CB LYS A 86 14.959 -3.010 0.527 1.00 40.13 C ATOM 1342 CG LYS A 86 16.028 -3.876 -0.140 1.00 41.22 C ATOM 1343 CD LYS A 86 16.176 -3.576 -1.628 1.00 41.42 C ATOM 1344 CE LYS A 86 16.849 -2.229 -1.865 1.00 31.34 C ATOM 1345 NZ LYS A 86 18.204 -2.167 -1.255 1.00 34.20 N ATOM 0 H LYS A 86 13.728 -2.405 -1.588 1.00 4.34 H new ATOM 0 HA LYS A 86 13.501 -4.535 0.190 1.00 40.12 H new ATOM 0 HB2 LYS A 86 15.089 -1.978 0.201 1.00 40.13 H new ATOM 0 HB3 LYS A 86 15.116 -3.026 1.606 1.00 40.13 H new ATOM 0 HG2 LYS A 86 16.984 -3.714 0.357 1.00 41.22 H new ATOM 0 HG3 LYS A 86 15.774 -4.928 -0.008 1.00 41.22 H new ATOM 0 HD2 LYS A 86 16.761 -4.364 -2.102 1.00 41.42 H new ATOM 0 HD3 LYS A 86 15.194 -3.581 -2.100 1.00 41.42 H new ATOM 0 HE2 LYS A 86 16.925 -2.046 -2.937 1.00 31.34 H new ATOM 0 HE3 LYS A 86 16.228 -1.436 -1.449 1.00 31.34 H new ATOM 0 HZ1 LYS A 86 18.747 -1.396 -1.693 1.00 34.20 H new ATOM 0 HZ2 LYS A 86 18.117 -1.993 -0.233 1.00 34.20 H new ATOM 0 HZ3 LYS A 86 18.697 -3.069 -1.412 1.00 34.20 H new ATOM 1359 N PRO A 87 12.209 -1.705 1.498 1.00 2.25 N ATOM 1360 CA PRO A 87 11.268 -1.247 2.535 1.00 73.10 C ATOM 1361 C PRO A 87 9.917 -1.951 2.423 1.00 43.14 C ATOM 1362 O PRO A 87 9.247 -2.205 3.426 1.00 22.03 O ATOM 1363 CB PRO A 87 11.111 0.252 2.245 1.00 14.23 C ATOM 1364 CG PRO A 87 12.346 0.625 1.507 1.00 71.43 C ATOM 1365 CD PRO A 87 12.713 -0.575 0.686 1.00 1.43 C ATOM 0 HA PRO A 87 11.630 -1.460 3.541 1.00 73.10 H new ATOM 0 HB2 PRO A 87 10.219 0.449 1.650 1.00 14.23 H new ATOM 0 HB3 PRO A 87 11.012 0.825 3.167 1.00 14.23 H new ATOM 0 HG2 PRO A 87 12.174 1.495 0.873 1.00 71.43 H new ATOM 0 HG3 PRO A 87 13.149 0.887 2.196 1.00 71.43 H new ATOM 0 HD2 PRO A 87 12.247 -0.547 -0.299 1.00 1.43 H new ATOM 0 HD3 PRO A 87 13.789 -0.641 0.528 1.00 1.43 H new ATOM 1373 N PHE A 88 9.537 -2.276 1.193 1.00 41.21 N ATOM 1374 CA PHE A 88 8.287 -2.965 0.922 1.00 10.14 C ATOM 1375 C PHE A 88 8.396 -4.418 1.380 1.00 54.02 C ATOM 1376 O PHE A 88 7.477 -4.961 1.984 1.00 23.44 O ATOM 1377 CB PHE A 88 7.973 -2.899 -0.585 1.00 72.32 C ATOM 1378 CG PHE A 88 6.591 -3.371 -0.966 1.00 44.43 C ATOM 1379 CD1 PHE A 88 6.312 -4.723 -1.103 1.00 41.43 C ATOM 1380 CD2 PHE A 88 5.575 -2.458 -1.195 1.00 30.44 C ATOM 1381 CE1 PHE A 88 5.048 -5.152 -1.458 1.00 2.54 C ATOM 1382 CE2 PHE A 88 4.309 -2.883 -1.552 1.00 62.12 C ATOM 1383 CZ PHE A 88 4.046 -4.232 -1.683 1.00 73.33 C ATOM 0 H PHE A 88 10.087 -2.069 0.359 1.00 41.21 H new ATOM 0 HA PHE A 88 7.477 -2.482 1.469 1.00 10.14 H new ATOM 0 HB2 PHE A 88 8.096 -1.870 -0.922 1.00 72.32 H new ATOM 0 HB3 PHE A 88 8.707 -3.500 -1.121 1.00 72.32 H new ATOM 0 HD1 PHE A 88 7.093 -5.449 -0.930 1.00 41.43 H new ATOM 0 HD2 PHE A 88 5.774 -1.401 -1.093 1.00 30.44 H new ATOM 0 HE1 PHE A 88 4.845 -6.208 -1.559 1.00 2.54 H new ATOM 0 HE2 PHE A 88 3.526 -2.160 -1.728 1.00 62.12 H new ATOM 0 HZ PHE A 88 3.057 -4.566 -1.961 1.00 73.33 H new ATOM 1393 N GLU A 89 9.539 -5.025 1.092 1.00 24.30 N ATOM 1394 CA GLU A 89 9.823 -6.410 1.456 1.00 25.12 C ATOM 1395 C GLU A 89 9.715 -6.614 2.966 1.00 30.24 C ATOM 1396 O GLU A 89 8.950 -7.460 3.439 1.00 24.44 O ATOM 1397 CB GLU A 89 11.231 -6.780 0.995 1.00 60.52 C ATOM 1398 CG GLU A 89 11.640 -8.198 1.334 1.00 10.32 C ATOM 1399 CD GLU A 89 13.135 -8.402 1.243 1.00 54.44 C ATOM 1400 OE1 GLU A 89 13.680 -8.386 0.121 1.00 13.24 O ATOM 1401 OE2 GLU A 89 13.780 -8.563 2.305 1.00 35.13 O ATOM 0 H GLU A 89 10.303 -4.568 0.595 1.00 24.30 H new ATOM 0 HA GLU A 89 9.089 -7.050 0.967 1.00 25.12 H new ATOM 0 HB2 GLU A 89 11.296 -6.643 -0.084 1.00 60.52 H new ATOM 0 HB3 GLU A 89 11.943 -6.090 1.448 1.00 60.52 H new ATOM 0 HG2 GLU A 89 11.303 -8.439 2.342 1.00 10.32 H new ATOM 0 HG3 GLU A 89 11.139 -8.890 0.657 1.00 10.32 H new ATOM 1408 N ASP A 90 10.475 -5.820 3.716 1.00 11.13 N ATOM 1409 CA ASP A 90 10.504 -5.926 5.177 1.00 4.22 C ATOM 1410 C ASP A 90 9.128 -5.690 5.778 1.00 44.14 C ATOM 1411 O ASP A 90 8.793 -6.247 6.818 1.00 60.41 O ATOM 1412 CB ASP A 90 11.494 -4.920 5.785 1.00 44.53 C ATOM 1413 CG ASP A 90 12.935 -5.173 5.399 1.00 24.32 C ATOM 1414 OD1 ASP A 90 13.552 -6.115 5.944 1.00 61.51 O ATOM 1415 OD2 ASP A 90 13.469 -4.420 4.570 1.00 2.53 O ATOM 0 H ASP A 90 11.082 -5.093 3.337 1.00 11.13 H new ATOM 0 HA ASP A 90 10.827 -6.940 5.414 1.00 4.22 H new ATOM 0 HB2 ASP A 90 11.215 -3.914 5.471 1.00 44.53 H new ATOM 0 HB3 ASP A 90 11.408 -4.950 6.871 1.00 44.53 H new ATOM 1420 N ALA A 91 8.334 -4.871 5.119 1.00 61.51 N ATOM 1421 CA ALA A 91 7.021 -4.517 5.626 1.00 72.03 C ATOM 1422 C ALA A 91 5.943 -5.529 5.231 1.00 53.52 C ATOM 1423 O ALA A 91 4.910 -5.606 5.874 1.00 54.21 O ATOM 1424 CB ALA A 91 6.639 -3.126 5.158 1.00 34.13 C ATOM 0 H ALA A 91 8.575 -4.436 4.228 1.00 61.51 H new ATOM 0 HA ALA A 91 7.082 -4.531 6.714 1.00 72.03 H new ATOM 0 HB1 ALA A 91 5.652 -2.870 5.544 1.00 34.13 H new ATOM 0 HB2 ALA A 91 7.370 -2.405 5.525 1.00 34.13 H new ATOM 0 HB3 ALA A 91 6.620 -3.101 4.068 1.00 34.13 H new ATOM 1430 N SER A 92 6.182 -6.294 4.181 1.00 35.54 N ATOM 1431 CA SER A 92 5.193 -7.258 3.709 1.00 54.44 C ATOM 1432 C SER A 92 5.375 -8.634 4.353 1.00 25.11 C ATOM 1433 O SER A 92 4.416 -9.233 4.848 1.00 70.14 O ATOM 1434 CB SER A 92 5.242 -7.367 2.181 1.00 22.15 C ATOM 1435 OG SER A 92 6.577 -7.483 1.721 1.00 14.42 O ATOM 0 H SER A 92 7.046 -6.270 3.639 1.00 35.54 H new ATOM 0 HA SER A 92 4.211 -6.891 4.008 1.00 54.44 H new ATOM 0 HB2 SER A 92 4.666 -8.233 1.856 1.00 22.15 H new ATOM 0 HB3 SER A 92 4.775 -6.488 1.735 1.00 22.15 H new ATOM 0 HG SER A 92 6.992 -6.596 1.694 1.00 14.42 H new ATOM 1441 N PHE A 93 6.606 -9.121 4.360 1.00 52.15 N ATOM 1442 CA PHE A 93 6.908 -10.450 4.890 1.00 21.01 C ATOM 1443 C PHE A 93 6.795 -10.510 6.411 1.00 63.32 C ATOM 1444 O PHE A 93 6.614 -11.584 6.981 1.00 1.12 O ATOM 1445 CB PHE A 93 8.300 -10.905 4.435 1.00 73.42 C ATOM 1446 CG PHE A 93 8.365 -11.264 2.975 1.00 22.13 C ATOM 1447 CD1 PHE A 93 8.351 -10.280 2.000 1.00 30.03 C ATOM 1448 CD2 PHE A 93 8.426 -12.588 2.580 1.00 11.04 C ATOM 1449 CE1 PHE A 93 8.398 -10.611 0.662 1.00 54.51 C ATOM 1450 CE2 PHE A 93 8.472 -12.926 1.242 1.00 74.44 C ATOM 1451 CZ PHE A 93 8.458 -11.936 0.283 1.00 73.23 C ATOM 0 H PHE A 93 7.418 -8.617 4.004 1.00 52.15 H new ATOM 0 HA PHE A 93 6.160 -11.133 4.488 1.00 21.01 H new ATOM 0 HB2 PHE A 93 9.018 -10.111 4.638 1.00 73.42 H new ATOM 0 HB3 PHE A 93 8.603 -11.768 5.027 1.00 73.42 H new ATOM 0 HD1 PHE A 93 8.303 -9.241 2.291 1.00 30.03 H new ATOM 0 HD2 PHE A 93 8.438 -13.367 3.328 1.00 11.04 H new ATOM 0 HE1 PHE A 93 8.388 -9.834 -0.088 1.00 54.51 H new ATOM 0 HE2 PHE A 93 8.519 -13.964 0.947 1.00 74.44 H new ATOM 0 HZ PHE A 93 8.494 -12.197 -0.764 1.00 73.23 H new ATOM 1461 N ALA A 94 6.872 -9.361 7.061 1.00 0.22 N ATOM 1462 CA ALA A 94 6.811 -9.306 8.519 1.00 3.24 C ATOM 1463 C ALA A 94 5.372 -9.232 9.029 1.00 40.23 C ATOM 1464 O ALA A 94 5.137 -9.044 10.224 1.00 2.31 O ATOM 1465 CB ALA A 94 7.609 -8.121 9.032 1.00 25.24 C ATOM 0 H ALA A 94 6.977 -8.454 6.607 1.00 0.22 H new ATOM 0 HA ALA A 94 7.247 -10.229 8.900 1.00 3.24 H new ATOM 0 HB1 ALA A 94 7.556 -8.090 10.120 1.00 25.24 H new ATOM 0 HB2 ALA A 94 8.649 -8.221 8.722 1.00 25.24 H new ATOM 0 HB3 ALA A 94 7.196 -7.199 8.623 1.00 25.24 H new ATOM 1471 N LEU A 95 4.417 -9.383 8.133 1.00 73.30 N ATOM 1472 CA LEU A 95 3.015 -9.316 8.509 1.00 12.22 C ATOM 1473 C LEU A 95 2.420 -10.702 8.641 1.00 15.11 C ATOM 1474 O LEU A 95 2.947 -11.666 8.097 1.00 74.52 O ATOM 1475 CB LEU A 95 2.218 -8.529 7.472 1.00 74.13 C ATOM 1476 CG LEU A 95 2.677 -7.103 7.213 1.00 54.11 C ATOM 1477 CD1 LEU A 95 1.787 -6.447 6.172 1.00 1.11 C ATOM 1478 CD2 LEU A 95 2.685 -6.296 8.502 1.00 60.23 C ATOM 0 H LEU A 95 4.583 -9.553 7.141 1.00 73.30 H new ATOM 0 HA LEU A 95 2.959 -8.811 9.473 1.00 12.22 H new ATOM 0 HB2 LEU A 95 2.249 -9.075 6.529 1.00 74.13 H new ATOM 0 HB3 LEU A 95 1.176 -8.501 7.790 1.00 74.13 H new ATOM 0 HG LEU A 95 3.697 -7.131 6.829 1.00 54.11 H new ATOM 0 HD11 LEU A 95 2.126 -5.426 5.995 1.00 1.11 H new ATOM 0 HD12 LEU A 95 1.838 -7.013 5.242 1.00 1.11 H new ATOM 0 HD13 LEU A 95 0.758 -6.431 6.531 1.00 1.11 H new ATOM 0 HD21 LEU A 95 3.017 -5.279 8.293 1.00 60.23 H new ATOM 0 HD22 LEU A 95 1.679 -6.270 8.922 1.00 60.23 H new ATOM 0 HD23 LEU A 95 3.365 -6.759 9.217 1.00 60.23 H new ATOM 1490 N ARG A 96 1.321 -10.788 9.359 1.00 0.11 N ATOM 1491 CA ARG A 96 0.589 -12.028 9.514 1.00 12.45 C ATOM 1492 C ARG A 96 -0.742 -11.917 8.777 1.00 35.23 C ATOM 1493 O ARG A 96 -1.055 -10.860 8.216 1.00 3.41 O ATOM 1494 CB ARG A 96 0.348 -12.334 10.997 1.00 55.32 C ATOM 1495 CG ARG A 96 -0.336 -11.206 11.753 1.00 72.21 C ATOM 1496 CD ARG A 96 -0.801 -11.647 13.128 1.00 0.25 C ATOM 1497 NE ARG A 96 -1.900 -12.612 13.044 1.00 20.13 N ATOM 1498 CZ ARG A 96 -2.792 -12.827 14.012 1.00 51.01 C ATOM 1499 NH1 ARG A 96 -2.692 -12.180 15.168 1.00 54.20 N ATOM 1500 NH2 ARG A 96 -3.779 -13.698 13.825 1.00 33.02 N ATOM 0 H ARG A 96 0.908 -9.997 9.854 1.00 0.11 H new ATOM 0 HA ARG A 96 1.176 -12.844 9.092 1.00 12.45 H new ATOM 0 HB2 ARG A 96 -0.260 -13.235 11.078 1.00 55.32 H new ATOM 0 HB3 ARG A 96 1.304 -12.551 11.474 1.00 55.32 H new ATOM 0 HG2 ARG A 96 0.353 -10.367 11.854 1.00 72.21 H new ATOM 0 HG3 ARG A 96 -1.190 -10.849 11.178 1.00 72.21 H new ATOM 0 HD2 ARG A 96 0.034 -12.092 13.669 1.00 0.25 H new ATOM 0 HD3 ARG A 96 -1.124 -10.777 13.700 1.00 0.25 H new ATOM 0 HE ARG A 96 -1.989 -13.157 12.186 1.00 20.13 H new ATOM 0 HH11 ARG A 96 -1.932 -11.517 15.317 1.00 54.20 H new ATOM 0 HH12 ARG A 96 -3.376 -12.346 15.906 1.00 54.20 H new ATOM 0 HH21 ARG A 96 -3.854 -14.202 12.941 1.00 33.02 H new ATOM 0 HH22 ARG A 96 -4.461 -13.862 14.565 1.00 33.02 H new ATOM 1514 N THR A 97 -1.515 -12.987 8.775 1.00 41.21 N ATOM 1515 CA THR A 97 -2.808 -12.997 8.110 1.00 51.21 C ATOM 1516 C THR A 97 -3.760 -11.996 8.770 1.00 33.30 C ATOM 1517 O THR A 97 -4.219 -12.209 9.893 1.00 4.23 O ATOM 1518 CB THR A 97 -3.446 -14.401 8.161 1.00 43.32 C ATOM 1519 OG1 THR A 97 -2.478 -15.389 7.791 1.00 31.12 O ATOM 1520 CG2 THR A 97 -4.634 -14.488 7.218 1.00 11.42 C ATOM 0 H THR A 97 -1.269 -13.867 9.229 1.00 41.21 H new ATOM 0 HA THR A 97 -2.643 -12.716 7.070 1.00 51.21 H new ATOM 0 HB THR A 97 -3.789 -14.583 9.179 1.00 43.32 H new ATOM 0 HG1 THR A 97 -2.255 -15.289 6.842 1.00 31.12 H new ATOM 0 HG21 THR A 97 -5.068 -15.487 7.271 1.00 11.42 H new ATOM 0 HG22 THR A 97 -5.383 -13.751 7.508 1.00 11.42 H new ATOM 0 HG23 THR A 97 -4.304 -14.289 6.198 1.00 11.42 H new ATOM 1528 N GLY A 98 -4.033 -10.904 8.079 1.00 14.11 N ATOM 1529 CA GLY A 98 -4.927 -9.902 8.611 1.00 65.35 C ATOM 1530 C GLY A 98 -4.192 -8.754 9.274 1.00 62.53 C ATOM 1531 O GLY A 98 -4.799 -7.953 9.990 1.00 33.12 O ATOM 0 H GLY A 98 -3.651 -10.693 7.157 1.00 14.11 H new ATOM 0 HA2 GLY A 98 -5.550 -9.512 7.806 1.00 65.35 H new ATOM 0 HA3 GLY A 98 -5.596 -10.366 9.335 1.00 65.35 H new ATOM 1535 N GLU A 99 -2.889 -8.670 9.054 1.00 42.44 N ATOM 1536 CA GLU A 99 -2.099 -7.589 9.620 1.00 54.02 C ATOM 1537 C GLU A 99 -1.650 -6.627 8.529 1.00 54.14 C ATOM 1538 O GLU A 99 -1.455 -7.024 7.373 1.00 32.21 O ATOM 1539 CB GLU A 99 -0.893 -8.132 10.392 1.00 3.12 C ATOM 1540 CG GLU A 99 -0.069 -7.059 11.098 1.00 72.24 C ATOM 1541 CD GLU A 99 -0.892 -6.221 12.058 1.00 70.31 C ATOM 1542 OE1 GLU A 99 -1.542 -5.252 11.606 1.00 34.53 O ATOM 1543 OE2 GLU A 99 -0.889 -6.520 13.268 1.00 52.31 O ATOM 0 H GLU A 99 -2.359 -9.334 8.490 1.00 42.44 H new ATOM 0 HA GLU A 99 -2.729 -7.044 10.323 1.00 54.02 H new ATOM 0 HB2 GLU A 99 -1.243 -8.851 11.132 1.00 3.12 H new ATOM 0 HB3 GLU A 99 -0.247 -8.674 9.701 1.00 3.12 H new ATOM 0 HG2 GLU A 99 0.746 -7.534 11.645 1.00 72.24 H new ATOM 0 HG3 GLU A 99 0.385 -6.407 10.352 1.00 72.24 H new ATOM 1550 N MET A 100 -1.488 -5.375 8.905 1.00 62.32 N ATOM 1551 CA MET A 100 -1.111 -4.326 7.985 1.00 64.30 C ATOM 1552 C MET A 100 0.172 -3.652 8.456 1.00 20.23 C ATOM 1553 O MET A 100 0.359 -3.423 9.655 1.00 25.34 O ATOM 1554 CB MET A 100 -2.243 -3.302 7.896 1.00 1.42 C ATOM 1555 CG MET A 100 -2.005 -2.179 6.904 1.00 13.14 C ATOM 1556 SD MET A 100 -3.360 -0.992 6.874 1.00 1.25 S ATOM 1557 CE MET A 100 -4.731 -2.045 6.402 1.00 42.54 C ATOM 0 H MET A 100 -1.616 -5.056 9.865 1.00 62.32 H new ATOM 0 HA MET A 100 -0.934 -4.755 6.999 1.00 64.30 H new ATOM 0 HB2 MET A 100 -3.163 -3.820 7.624 1.00 1.42 H new ATOM 0 HB3 MET A 100 -2.401 -2.869 8.884 1.00 1.42 H new ATOM 0 HG2 MET A 100 -1.079 -1.663 7.158 1.00 13.14 H new ATOM 0 HG3 MET A 100 -1.872 -2.600 5.907 1.00 13.14 H new ATOM 0 HE1 MET A 100 -5.619 -1.435 6.238 1.00 42.54 H new ATOM 0 HE2 MET A 100 -4.482 -2.577 5.484 1.00 42.54 H new ATOM 0 HE3 MET A 100 -4.927 -2.765 7.197 1.00 42.54 H new ATOM 1567 N SER A 101 1.053 -3.345 7.525 1.00 75.53 N ATOM 1568 CA SER A 101 2.305 -2.697 7.857 1.00 33.11 C ATOM 1569 C SER A 101 2.077 -1.232 8.201 1.00 0.12 C ATOM 1570 O SER A 101 2.370 -0.787 9.313 1.00 1.11 O ATOM 1571 CB SER A 101 3.292 -2.832 6.700 1.00 51.23 C ATOM 1572 OG SER A 101 2.699 -2.431 5.472 1.00 60.10 O ATOM 0 H SER A 101 0.924 -3.534 6.531 1.00 75.53 H new ATOM 0 HA SER A 101 2.728 -3.188 8.733 1.00 33.11 H new ATOM 0 HB2 SER A 101 4.174 -2.223 6.897 1.00 51.23 H new ATOM 0 HB3 SER A 101 3.629 -3.866 6.624 1.00 51.23 H new ATOM 0 HG SER A 101 3.402 -2.218 4.823 1.00 60.10 H new ATOM 1578 N GLY A 102 1.539 -0.496 7.253 1.00 23.24 N ATOM 1579 CA GLY A 102 1.273 0.899 7.461 1.00 70.21 C ATOM 1580 C GLY A 102 1.790 1.737 6.319 1.00 24.40 C ATOM 1581 O GLY A 102 1.789 1.286 5.175 1.00 63.43 O ATOM 0 H GLY A 102 1.279 -0.847 6.331 1.00 23.24 H new ATOM 0 HA2 GLY A 102 0.199 1.053 7.570 1.00 70.21 H new ATOM 0 HA3 GLY A 102 1.738 1.224 8.392 1.00 70.21 H new ATOM 1585 N PRO A 103 2.251 2.963 6.596 1.00 4.45 N ATOM 1586 CA PRO A 103 2.776 3.856 5.575 1.00 25.02 C ATOM 1587 C PRO A 103 4.181 3.464 5.128 1.00 32.43 C ATOM 1588 O PRO A 103 5.174 3.863 5.743 1.00 21.34 O ATOM 1589 CB PRO A 103 2.807 5.237 6.264 1.00 4.45 C ATOM 1590 CG PRO A 103 2.173 5.038 7.608 1.00 2.35 C ATOM 1591 CD PRO A 103 2.289 3.579 7.920 1.00 61.04 C ATOM 0 HA PRO A 103 2.164 3.831 4.673 1.00 25.02 H new ATOM 0 HB2 PRO A 103 3.830 5.601 6.364 1.00 4.45 H new ATOM 0 HB3 PRO A 103 2.261 5.978 5.680 1.00 4.45 H new ATOM 0 HG2 PRO A 103 2.675 5.638 8.367 1.00 2.35 H new ATOM 0 HG3 PRO A 103 1.129 5.350 7.594 1.00 2.35 H new ATOM 0 HD2 PRO A 103 3.215 3.350 8.447 1.00 61.04 H new ATOM 0 HD3 PRO A 103 1.470 3.234 8.551 1.00 61.04 H new ATOM 1599 N VAL A 104 4.262 2.660 4.085 1.00 34.24 N ATOM 1600 CA VAL A 104 5.542 2.272 3.536 1.00 14.12 C ATOM 1601 C VAL A 104 5.968 3.281 2.485 1.00 2.32 C ATOM 1602 O VAL A 104 5.512 3.233 1.334 1.00 24.13 O ATOM 1603 CB VAL A 104 5.505 0.858 2.910 1.00 74.21 C ATOM 1604 CG1 VAL A 104 6.883 0.456 2.400 1.00 64.42 C ATOM 1605 CG2 VAL A 104 4.989 -0.158 3.915 1.00 3.34 C ATOM 0 H VAL A 104 3.455 2.264 3.603 1.00 34.24 H new ATOM 0 HA VAL A 104 6.260 2.250 4.356 1.00 14.12 H new ATOM 0 HB VAL A 104 4.822 0.879 2.061 1.00 74.21 H new ATOM 0 HG11 VAL A 104 6.833 -0.542 1.964 1.00 64.42 H new ATOM 0 HG12 VAL A 104 7.212 1.167 1.642 1.00 64.42 H new ATOM 0 HG13 VAL A 104 7.591 0.455 3.228 1.00 64.42 H new ATOM 0 HG21 VAL A 104 4.970 -1.147 3.456 1.00 3.34 H new ATOM 0 HG22 VAL A 104 5.645 -0.174 4.785 1.00 3.34 H new ATOM 0 HG23 VAL A 104 3.981 0.117 4.226 1.00 3.34 H new ATOM 1615 N PHE A 105 6.806 4.215 2.891 1.00 13.44 N ATOM 1616 CA PHE A 105 7.284 5.251 1.997 1.00 70.42 C ATOM 1617 C PHE A 105 8.142 4.645 0.903 1.00 51.04 C ATOM 1618 O PHE A 105 9.210 4.092 1.171 1.00 40.53 O ATOM 1619 CB PHE A 105 8.081 6.306 2.770 1.00 21.15 C ATOM 1620 CG PHE A 105 7.318 6.927 3.907 1.00 23.03 C ATOM 1621 CD1 PHE A 105 6.318 7.853 3.665 1.00 23.13 C ATOM 1622 CD2 PHE A 105 7.601 6.580 5.218 1.00 4.12 C ATOM 1623 CE1 PHE A 105 5.615 8.422 4.710 1.00 41.44 C ATOM 1624 CE2 PHE A 105 6.901 7.145 6.265 1.00 61.04 C ATOM 1625 CZ PHE A 105 5.907 8.067 6.011 1.00 31.41 C ATOM 0 H PHE A 105 7.172 4.277 3.841 1.00 13.44 H new ATOM 0 HA PHE A 105 6.421 5.736 1.541 1.00 70.42 H new ATOM 0 HB2 PHE A 105 8.989 5.848 3.161 1.00 21.15 H new ATOM 0 HB3 PHE A 105 8.391 7.091 2.081 1.00 21.15 H new ATOM 0 HD1 PHE A 105 6.085 8.134 2.649 1.00 23.13 H new ATOM 0 HD2 PHE A 105 8.378 5.859 5.423 1.00 4.12 H new ATOM 0 HE1 PHE A 105 4.838 9.144 4.508 1.00 41.44 H new ATOM 0 HE2 PHE A 105 7.131 6.865 7.282 1.00 61.04 H new ATOM 0 HZ PHE A 105 5.358 8.510 6.829 1.00 31.41 H new ATOM 1635 N THR A 106 7.661 4.717 -0.314 1.00 13.20 N ATOM 1636 CA THR A 106 8.380 4.186 -1.442 1.00 25.04 C ATOM 1637 C THR A 106 8.722 5.322 -2.418 1.00 22.11 C ATOM 1638 O THR A 106 8.212 6.441 -2.280 1.00 5.24 O ATOM 1639 CB THR A 106 7.549 3.091 -2.148 1.00 45.40 C ATOM 1640 OG1 THR A 106 6.859 2.312 -1.157 1.00 54.01 O ATOM 1641 CG2 THR A 106 8.443 2.163 -2.963 1.00 42.22 C ATOM 0 H THR A 106 6.764 5.143 -0.548 1.00 13.20 H new ATOM 0 HA THR A 106 9.306 3.731 -1.091 1.00 25.04 H new ATOM 0 HB THR A 106 6.842 3.577 -2.820 1.00 45.40 H new ATOM 0 HG1 THR A 106 6.020 1.973 -1.533 1.00 54.01 H new ATOM 0 HG21 THR A 106 7.831 1.403 -3.449 1.00 42.22 H new ATOM 0 HG22 THR A 106 8.973 2.741 -3.720 1.00 42.22 H new ATOM 0 HG23 THR A 106 9.165 1.681 -2.303 1.00 42.22 H new ATOM 1649 N ASP A 107 9.586 5.034 -3.378 1.00 60.24 N ATOM 1650 CA ASP A 107 10.065 6.023 -4.349 1.00 23.12 C ATOM 1651 C ASP A 107 8.930 6.751 -5.077 1.00 0.52 C ATOM 1652 O ASP A 107 8.935 7.980 -5.169 1.00 10.42 O ATOM 1653 CB ASP A 107 10.990 5.359 -5.364 1.00 32.52 C ATOM 1654 CG ASP A 107 12.225 4.763 -4.724 1.00 13.31 C ATOM 1655 OD1 ASP A 107 12.159 3.604 -4.265 1.00 71.03 O ATOM 1656 OD2 ASP A 107 13.271 5.448 -4.681 1.00 24.13 O ATOM 0 H ASP A 107 9.981 4.103 -3.512 1.00 60.24 H new ATOM 0 HA ASP A 107 10.612 6.776 -3.781 1.00 23.12 H new ATOM 0 HB2 ASP A 107 10.444 4.576 -5.890 1.00 32.52 H new ATOM 0 HB3 ASP A 107 11.291 6.094 -6.111 1.00 32.52 H new ATOM 1661 N SER A 108 7.966 6.006 -5.591 1.00 43.24 N ATOM 1662 CA SER A 108 6.870 6.617 -6.334 1.00 61.51 C ATOM 1663 C SER A 108 5.784 7.156 -5.400 1.00 13.34 C ATOM 1664 O SER A 108 5.246 8.247 -5.622 1.00 41.02 O ATOM 1665 CB SER A 108 6.274 5.622 -7.325 1.00 13.34 C ATOM 1666 OG SER A 108 7.278 5.092 -8.181 1.00 60.21 O ATOM 0 H SER A 108 7.917 4.990 -5.511 1.00 43.24 H new ATOM 0 HA SER A 108 7.280 7.462 -6.887 1.00 61.51 H new ATOM 0 HB2 SER A 108 5.788 4.811 -6.783 1.00 13.34 H new ATOM 0 HB3 SER A 108 5.505 6.113 -7.921 1.00 13.34 H new ATOM 0 HG SER A 108 6.872 4.456 -8.806 1.00 60.21 H new ATOM 1672 N GLY A 109 5.472 6.406 -4.359 1.00 22.32 N ATOM 1673 CA GLY A 109 4.448 6.827 -3.432 1.00 64.22 C ATOM 1674 C GLY A 109 4.430 5.980 -2.188 1.00 5.12 C ATOM 1675 O GLY A 109 5.317 5.156 -1.985 1.00 65.03 O ATOM 0 H GLY A 109 5.910 5.512 -4.139 1.00 22.32 H new ATOM 0 HA2 GLY A 109 4.613 7.869 -3.159 1.00 64.22 H new ATOM 0 HA3 GLY A 109 3.474 6.776 -3.920 1.00 64.22 H new ATOM 1679 N ILE A 110 3.426 6.169 -1.361 1.00 32.41 N ATOM 1680 CA ILE A 110 3.310 5.416 -0.128 1.00 0.40 C ATOM 1681 C ILE A 110 2.502 4.152 -0.368 1.00 10.30 C ATOM 1682 O ILE A 110 1.413 4.204 -0.937 1.00 41.24 O ATOM 1683 CB ILE A 110 2.631 6.251 0.985 1.00 3.14 C ATOM 1684 CG1 ILE A 110 3.360 7.587 1.170 1.00 20.12 C ATOM 1685 CG2 ILE A 110 2.611 5.470 2.294 1.00 45.41 C ATOM 1686 CD1 ILE A 110 2.701 8.512 2.175 1.00 43.42 C ATOM 0 H ILE A 110 2.674 6.840 -1.519 1.00 32.41 H new ATOM 0 HA ILE A 110 4.317 5.159 0.200 1.00 0.40 H new ATOM 0 HB ILE A 110 1.603 6.457 0.688 1.00 3.14 H new ATOM 0 HG12 ILE A 110 4.384 7.390 1.489 1.00 20.12 H new ATOM 0 HG13 ILE A 110 3.418 8.095 0.207 1.00 20.12 H new ATOM 0 HG21 ILE A 110 2.131 6.069 3.068 1.00 45.41 H new ATOM 0 HG22 ILE A 110 2.055 4.543 2.156 1.00 45.41 H new ATOM 0 HG23 ILE A 110 3.633 5.239 2.596 1.00 45.41 H new ATOM 0 HD11 ILE A 110 3.275 9.436 2.250 1.00 43.42 H new ATOM 0 HD12 ILE A 110 1.687 8.741 1.848 1.00 43.42 H new ATOM 0 HD13 ILE A 110 2.667 8.025 3.150 1.00 43.42 H new ATOM 1698 N HIS A 111 3.038 3.022 0.043 1.00 13.31 N ATOM 1699 CA HIS A 111 2.351 1.758 -0.134 1.00 30.34 C ATOM 1700 C HIS A 111 1.821 1.228 1.183 1.00 3.14 C ATOM 1701 O HIS A 111 2.550 1.130 2.161 1.00 53.13 O ATOM 1702 CB HIS A 111 3.263 0.704 -0.775 1.00 55.12 C ATOM 1703 CG HIS A 111 3.508 0.893 -2.242 1.00 51.52 C ATOM 1704 ND1 HIS A 111 4.493 1.543 -2.896 1.00 1.24 N flip ATOM 1705 CD2 HIS A 111 2.703 0.344 -3.223 1.00 2.34 C flip ATOM 1706 CE1 HIS A 111 4.274 1.373 -4.238 1.00 23.01 C flip ATOM 1707 NE2 HIS A 111 3.192 0.648 -4.409 1.00 3.42 N flip ATOM 0 H HIS A 111 3.946 2.952 0.502 1.00 13.31 H new ATOM 0 HA HIS A 111 1.512 1.950 -0.803 1.00 30.34 H new ATOM 0 HB2 HIS A 111 4.222 0.710 -0.257 1.00 55.12 H new ATOM 0 HB3 HIS A 111 2.823 -0.281 -0.618 1.00 55.12 H new ATOM 0 HD2 HIS A 111 1.813 -0.242 -3.046 1.00 2.34 H new ATOM 0 HE1 HIS A 111 4.892 1.771 -5.029 1.00 23.01 H new ATOM 0 HE2 HIS A 111 2.797 0.368 -5.307 1.00 3.42 H new ATOM 1716 N ILE A 112 0.548 0.914 1.202 1.00 53.43 N ATOM 1717 CA ILE A 112 -0.070 0.289 2.350 1.00 71.00 C ATOM 1718 C ILE A 112 -0.126 -1.204 2.090 1.00 42.54 C ATOM 1719 O ILE A 112 -0.663 -1.633 1.068 1.00 72.34 O ATOM 1720 CB ILE A 112 -1.505 0.814 2.586 1.00 70.22 C ATOM 1721 CG1 ILE A 112 -1.513 2.344 2.647 1.00 12.11 C ATOM 1722 CG2 ILE A 112 -2.078 0.227 3.869 1.00 51.44 C ATOM 1723 CD1 ILE A 112 -2.896 2.941 2.815 1.00 1.24 C ATOM 0 H ILE A 112 -0.089 1.084 0.424 1.00 53.43 H new ATOM 0 HA ILE A 112 0.517 0.521 3.238 1.00 71.00 H new ATOM 0 HB ILE A 112 -2.131 0.500 1.751 1.00 70.22 H new ATOM 0 HG12 ILE A 112 -0.884 2.669 3.476 1.00 12.11 H new ATOM 0 HG13 ILE A 112 -1.066 2.737 1.734 1.00 12.11 H new ATOM 0 HG21 ILE A 112 -3.089 0.605 4.023 1.00 51.44 H new ATOM 0 HG22 ILE A 112 -2.105 -0.860 3.791 1.00 51.44 H new ATOM 0 HG23 ILE A 112 -1.451 0.515 4.713 1.00 51.44 H new ATOM 0 HD11 ILE A 112 -2.821 4.028 2.850 1.00 1.24 H new ATOM 0 HD12 ILE A 112 -3.524 2.647 1.974 1.00 1.24 H new ATOM 0 HD13 ILE A 112 -3.339 2.578 3.742 1.00 1.24 H new ATOM 1735 N ILE A 113 0.446 -1.990 2.975 1.00 34.34 N ATOM 1736 CA ILE A 113 0.497 -3.425 2.764 1.00 71.11 C ATOM 1737 C ILE A 113 -0.323 -4.172 3.802 1.00 11.12 C ATOM 1738 O ILE A 113 -0.169 -3.956 5.004 1.00 31.21 O ATOM 1739 CB ILE A 113 1.948 -3.952 2.814 1.00 71.21 C ATOM 1740 CG1 ILE A 113 2.863 -3.093 1.937 1.00 43.33 C ATOM 1741 CG2 ILE A 113 1.997 -5.409 2.368 1.00 51.22 C ATOM 1742 CD1 ILE A 113 4.330 -3.440 2.068 1.00 24.44 C ATOM 0 H ILE A 113 0.879 -1.667 3.840 1.00 34.34 H new ATOM 0 HA ILE A 113 0.078 -3.604 1.774 1.00 71.11 H new ATOM 0 HB ILE A 113 2.303 -3.891 3.843 1.00 71.21 H new ATOM 0 HG12 ILE A 113 2.564 -3.206 0.895 1.00 43.33 H new ATOM 0 HG13 ILE A 113 2.722 -2.044 2.198 1.00 43.33 H new ATOM 0 HG21 ILE A 113 3.026 -5.767 2.408 1.00 51.22 H new ATOM 0 HG22 ILE A 113 1.376 -6.013 3.030 1.00 51.22 H new ATOM 0 HG23 ILE A 113 1.624 -5.490 1.347 1.00 51.22 H new ATOM 0 HD11 ILE A 113 4.917 -2.791 1.418 1.00 24.44 H new ATOM 0 HD12 ILE A 113 4.646 -3.300 3.102 1.00 24.44 H new ATOM 0 HD13 ILE A 113 4.485 -4.479 1.779 1.00 24.44 H new ATOM 1754 N LEU A 114 -1.190 -5.038 3.328 1.00 32.53 N ATOM 1755 CA LEU A 114 -1.980 -5.895 4.188 1.00 10.35 C ATOM 1756 C LEU A 114 -1.755 -7.328 3.753 1.00 4.13 C ATOM 1757 O LEU A 114 -1.789 -7.618 2.564 1.00 40.20 O ATOM 1758 CB LEU A 114 -3.470 -5.543 4.060 1.00 3.04 C ATOM 1759 CG LEU A 114 -4.446 -6.412 4.866 1.00 1.34 C ATOM 1760 CD1 LEU A 114 -4.346 -6.110 6.349 1.00 10.11 C ATOM 1761 CD2 LEU A 114 -5.870 -6.216 4.375 1.00 43.30 C ATOM 0 H LEU A 114 -1.369 -5.169 2.332 1.00 32.53 H new ATOM 0 HA LEU A 114 -1.683 -5.760 5.228 1.00 10.35 H new ATOM 0 HB2 LEU A 114 -3.604 -4.505 4.365 1.00 3.04 H new ATOM 0 HB3 LEU A 114 -3.747 -5.604 3.007 1.00 3.04 H new ATOM 0 HG LEU A 114 -4.171 -7.456 4.715 1.00 1.34 H new ATOM 0 HD11 LEU A 114 -5.048 -6.739 6.897 1.00 10.11 H new ATOM 0 HD12 LEU A 114 -3.332 -6.312 6.694 1.00 10.11 H new ATOM 0 HD13 LEU A 114 -4.586 -5.061 6.524 1.00 10.11 H new ATOM 0 HD21 LEU A 114 -6.546 -6.841 4.959 1.00 43.30 H new ATOM 0 HD22 LEU A 114 -6.153 -5.170 4.489 1.00 43.30 H new ATOM 0 HD23 LEU A 114 -5.934 -6.497 3.324 1.00 43.30 H new ATOM 1773 N ARG A 115 -1.537 -8.222 4.689 1.00 64.03 N ATOM 1774 CA ARG A 115 -1.298 -9.604 4.324 1.00 51.14 C ATOM 1775 C ARG A 115 -2.582 -10.405 4.383 1.00 1.53 C ATOM 1776 O ARG A 115 -3.168 -10.589 5.454 1.00 74.21 O ATOM 1777 CB ARG A 115 -0.214 -10.239 5.196 1.00 11.12 C ATOM 1778 CG ARG A 115 0.152 -11.650 4.760 1.00 45.01 C ATOM 1779 CD ARG A 115 1.326 -12.204 5.544 1.00 0.03 C ATOM 1780 NE ARG A 115 1.649 -13.571 5.133 1.00 34.24 N ATOM 1781 CZ ARG A 115 2.623 -14.318 5.655 1.00 75.44 C ATOM 1782 NH1 ARG A 115 3.359 -13.856 6.658 1.00 33.23 N ATOM 1783 NH2 ARG A 115 2.840 -15.539 5.188 1.00 4.34 N ATOM 0 H ARG A 115 -1.519 -8.026 5.690 1.00 64.03 H new ATOM 0 HA ARG A 115 -0.935 -9.615 3.296 1.00 51.14 H new ATOM 0 HB2 ARG A 115 0.678 -9.614 5.169 1.00 11.12 H new ATOM 0 HB3 ARG A 115 -0.556 -10.262 6.231 1.00 11.12 H new ATOM 0 HG2 ARG A 115 -0.710 -12.304 4.889 1.00 45.01 H new ATOM 0 HG3 ARG A 115 0.395 -11.649 3.697 1.00 45.01 H new ATOM 0 HD2 ARG A 115 2.196 -11.564 5.398 1.00 0.03 H new ATOM 0 HD3 ARG A 115 1.093 -12.189 6.609 1.00 0.03 H new ATOM 0 HE ARG A 115 1.086 -13.984 4.390 1.00 34.24 H new ATOM 0 HH11 ARG A 115 3.181 -12.925 7.034 1.00 33.23 H new ATOM 0 HH12 ARG A 115 4.102 -14.432 7.053 1.00 33.23 H new ATOM 0 HH21 ARG A 115 2.263 -15.906 4.431 1.00 4.34 H new ATOM 0 HH22 ARG A 115 3.584 -16.112 5.585 1.00 4.34 H new ATOM 1797 N THR A 116 -3.017 -10.868 3.228 1.00 23.24 N ATOM 1798 CA THR A 116 -4.237 -11.629 3.116 1.00 14.24 C ATOM 1799 C THR A 116 -4.033 -13.084 3.527 1.00 40.11 C ATOM 1800 O THR A 116 -4.953 -13.727 4.039 1.00 14.42 O ATOM 1801 CB THR A 116 -4.791 -11.551 1.684 1.00 13.11 C ATOM 1802 OG1 THR A 116 -3.702 -11.520 0.743 1.00 4.34 O ATOM 1803 CG2 THR A 116 -5.640 -10.309 1.514 1.00 31.50 C ATOM 0 H THR A 116 -2.531 -10.725 2.342 1.00 23.24 H new ATOM 0 HA THR A 116 -4.962 -11.189 3.801 1.00 14.24 H new ATOM 0 HB THR A 116 -5.409 -12.430 1.500 1.00 13.11 H new ATOM 0 HG1 THR A 116 -3.997 -11.085 -0.084 1.00 4.34 H new ATOM 0 HG21 THR A 116 -6.025 -10.268 0.495 1.00 31.50 H new ATOM 0 HG22 THR A 116 -6.473 -10.339 2.216 1.00 31.50 H new ATOM 0 HG23 THR A 116 -5.034 -9.424 1.709 1.00 31.50 H new ATOM 1811 N GLU A 117 -2.832 -13.593 3.316 1.00 22.50 N ATOM 1812 CA GLU A 117 -2.508 -14.957 3.684 1.00 41.45 C ATOM 1813 C GLU A 117 -1.152 -14.978 4.375 1.00 71.22 C ATOM 1814 O GLU A 117 -1.112 -15.043 5.620 1.00 0.00 O ATOM 1815 CB GLU A 117 -2.483 -15.855 2.435 1.00 3.31 C ATOM 1816 CG GLU A 117 -2.919 -17.303 2.678 1.00 61.44 C ATOM 1817 CD GLU A 117 -2.099 -18.018 3.735 1.00 31.00 C ATOM 1818 OE1 GLU A 117 -0.983 -18.480 3.419 1.00 22.44 O ATOM 1819 OE2 GLU A 117 -2.572 -18.132 4.887 1.00 10.30 O ATOM 1820 OXT GLU A 117 -0.130 -14.897 3.671 1.00 0.00 O ATOM 0 H GLU A 117 -2.062 -13.078 2.889 1.00 22.50 H new ATOM 0 HA GLU A 117 -3.269 -15.339 4.365 1.00 41.45 H new ATOM 0 HB2 GLU A 117 -3.132 -15.417 1.677 1.00 3.31 H new ATOM 0 HB3 GLU A 117 -1.472 -15.858 2.027 1.00 3.31 H new ATOM 0 HG2 GLU A 117 -3.967 -17.312 2.976 1.00 61.44 H new ATOM 0 HG3 GLU A 117 -2.849 -17.856 1.741 1.00 61.44 H new TER 1827 GLU A 117