USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 954 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 89 SER OG : rot 72:sc= 1.91 USER MOD Set 1.2: A 93 ASN : amide:sc= 0.74 K(o=2.7,f=1.8) USER MOD Set 2.1: A 28 THR OG1 : rot -172:sc= 0.935 USER MOD Set 2.2: A 38 ASN : amide:sc= 1.98 K(o=1.8,f=-0.58) USER MOD Set 2.3: A 45 ASN : amide:sc= -1.8 K(o=1.8,f=-0.58) USER MOD Set 2.4: A 49 ASN : amide:sc= 0.708 X(o=1.8,f=1.5) USER MOD Set 3.1: A 22 TYR OH : rot 29:sc= 0.778 USER MOD Set 3.2: A 104 LYS NZ :NH3+ -177:sc= 0.827 (180deg=-0.39) USER MOD Single : A 1 MET CE :methyl 146:sc= -0.288 (180deg=-1.22) USER MOD Single : A 1 MET N :NH3+ -112:sc= 0.0225 (180deg=-0.00509) USER MOD Single : A 4 TYR OH : rot 91:sc= 1.09 USER MOD Single : A 5 SER OG : rot -115:sc= 1.29 USER MOD Single : A 7 LYS NZ :NH3+ 138:sc= 0.911 (180deg=-1.8!) USER MOD Single : A 9 HIS : no HD1:sc= -0.162 X(o=-0.16,f=-0.061) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 159:sc= 0.775 (180deg=0.0296) USER MOD Single : A 18 CYS SG : rot 154:sc= -0.142 USER MOD Single : A 20 SER OG : rot 89:sc= 1.25 USER MOD Single : A 32 SER OG : rot 73:sc= 0.0968 USER MOD Single : A 33 HIS : no HE2:sc= 1.03 K(o=1,f=-6!) USER MOD Single : A 34 HIS : +bothHN:sc= -1.3! C(o=-1.3!,f=-14!) USER MOD Single : A 41 THR OG1 : rot -18:sc= 1.24 USER MOD Single : A 42 SER OG : rot -103:sc= -0.468! USER MOD Single : A 47 GLN :FLIP amide:sc= -0.825 F(o=-2.1!,f=-0.82) USER MOD Single : A 54 HIS : no HE2:sc= 1.13 K(o=1.1,f=-4.4!) USER MOD Single : A 57 SER OG : rot 72:sc= 0.821 USER MOD Single : A 60 MET CE :methyl 150:sc= -2.63 (180deg=-3.97!) USER MOD Single : A 61 SER OG : rot 180:sc= 0.06 USER MOD Single : A 63 LYS NZ :NH3+ -162:sc= 2.3 (180deg=1.94) USER MOD Single : A 65 LYS NZ :NH3+ -159:sc= -0.0171 (180deg=-0.207) USER MOD Single : A 66 TYR OH : rot 15:sc= -1.28 USER MOD Single : A 73 SER OG : rot 130:sc= -0.388 USER MOD Single : A 79 TYR OH : rot -69:sc= -0.628 USER MOD Single : A 83 THR OG1 : rot 85:sc= -0.584! USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 85:sc= 1.17 USER MOD Single : A 88 SER OG : rot 64:sc= 1.2 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.48 X(o=-0.48,f=-0.34) USER MOD Single : A 101 GLN : amide:sc= -1.48 K(o=-1.5,f=-6.1!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot -166:sc= 1.09 USER MOD Single : A 112 SER OG : rot 77:sc= 0.694 USER MOD Single : A 115 TYR OH : rot 30:sc= 0 USER MOD Single : A 117 SER OG : rot -170:sc= -1.09 USER MOD Single : A 118 THR OG1 : rot -9:sc= 1.11 USER MOD Single : A 120 MET CE :methyl -173:sc= -1.21 (180deg=-1.3) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 THR OG1 : rot -36:sc= 0.0424 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.656 -23.496 -5.287 1.00 0.00 N ATOM 2 CA MET A 1 -11.057 -23.008 -5.202 1.00 0.00 C ATOM 3 C MET A 1 -11.206 -22.020 -4.051 1.00 0.00 C ATOM 4 O MET A 1 -11.207 -22.417 -2.871 1.00 0.00 O ATOM 5 CB MET A 1 -12.008 -24.202 -5.014 1.00 0.00 C ATOM 6 CG MET A 1 -12.061 -25.156 -6.204 1.00 0.00 C ATOM 7 SD MET A 1 -11.203 -26.700 -5.873 1.00 0.00 S ATOM 8 CE MET A 1 -12.149 -27.312 -4.479 1.00 0.00 C ATOM 0 H1 MET A 1 -9.214 -23.134 -6.156 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.121 -23.160 -4.461 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.651 -24.536 -5.303 1.00 0.00 H new ATOM 0 HA MET A 1 -11.313 -22.493 -6.128 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.701 -24.760 -4.129 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.012 -23.825 -4.821 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.101 -25.366 -6.453 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.616 -24.674 -7.074 1.00 0.00 H new ATOM 0 HE1 MET A 1 -12.197 -28.400 -4.521 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.668 -27.006 -3.550 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.159 -26.903 -4.517 1.00 0.00 H new ATOM 18 N ASP A 2 -11.296 -20.733 -4.388 1.00 0.00 N ATOM 19 CA ASP A 2 -11.412 -19.670 -3.378 1.00 0.00 C ATOM 20 C ASP A 2 -12.859 -19.261 -3.195 1.00 0.00 C ATOM 21 O ASP A 2 -13.659 -19.371 -4.129 1.00 0.00 O ATOM 22 CB ASP A 2 -10.573 -18.432 -3.760 1.00 0.00 C ATOM 23 CG ASP A 2 -9.243 -18.764 -4.364 1.00 0.00 C ATOM 24 OD1 ASP A 2 -8.490 -19.547 -3.768 1.00 0.00 O ATOM 25 OD2 ASP A 2 -8.941 -18.251 -5.438 1.00 0.00 O ATOM 0 H ASP A 2 -11.291 -20.397 -5.351 1.00 0.00 H new ATOM 0 HA ASP A 2 -11.028 -20.073 -2.441 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -11.140 -17.824 -4.465 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -10.415 -17.823 -2.870 1.00 0.00 H new ATOM 30 N GLU A 3 -13.197 -18.783 -2.006 1.00 0.00 N ATOM 31 CA GLU A 3 -14.571 -18.369 -1.713 1.00 0.00 C ATOM 32 C GLU A 3 -14.606 -17.160 -0.764 1.00 0.00 C ATOM 33 O GLU A 3 -14.909 -16.031 -1.184 1.00 0.00 O ATOM 34 CB GLU A 3 -15.392 -19.553 -1.124 1.00 0.00 C ATOM 35 CG GLU A 3 -14.596 -20.856 -0.890 1.00 0.00 C ATOM 36 CD GLU A 3 -15.247 -21.802 0.085 1.00 0.00 C ATOM 37 OE1 GLU A 3 -16.475 -21.724 0.285 1.00 0.00 O ATOM 38 OE2 GLU A 3 -14.538 -22.633 0.651 1.00 0.00 O ATOM 0 H GLU A 3 -12.546 -18.671 -1.229 1.00 0.00 H new ATOM 0 HA GLU A 3 -15.030 -18.065 -2.654 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -15.826 -19.236 -0.176 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -16.221 -19.769 -1.798 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -14.465 -21.366 -1.844 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -13.601 -20.602 -0.525 1.00 0.00 H new ATOM 45 N TYR A 4 -14.280 -17.402 0.506 1.00 0.00 N ATOM 46 CA TYR A 4 -14.268 -16.343 1.549 1.00 0.00 C ATOM 47 C TYR A 4 -13.279 -15.247 1.164 1.00 0.00 C ATOM 48 O TYR A 4 -13.663 -14.087 1.002 1.00 0.00 O ATOM 49 CB TYR A 4 -13.944 -16.923 2.961 1.00 0.00 C ATOM 50 CG TYR A 4 -14.227 -18.410 3.106 1.00 0.00 C ATOM 51 CD1 TYR A 4 -15.518 -18.904 2.977 1.00 0.00 C ATOM 52 CD2 TYR A 4 -13.198 -19.319 3.314 1.00 0.00 C ATOM 53 CE1 TYR A 4 -15.774 -20.249 3.051 1.00 0.00 C ATOM 54 CE2 TYR A 4 -13.451 -20.670 3.400 1.00 0.00 C ATOM 55 CZ TYR A 4 -14.738 -21.130 3.265 1.00 0.00 C ATOM 56 OH TYR A 4 -14.994 -22.482 3.315 1.00 0.00 O ATOM 0 H TYR A 4 -14.017 -18.325 0.852 1.00 0.00 H new ATOM 0 HA TYR A 4 -15.267 -15.912 1.607 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -12.892 -16.742 3.183 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -14.525 -16.380 3.706 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -16.335 -18.217 2.815 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -12.184 -18.961 3.410 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -16.784 -20.616 2.942 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -12.642 -21.364 3.573 1.00 0.00 H new ATOM 0 HH TYR A 4 -14.902 -22.866 2.418 1.00 0.00 H new ATOM 66 N SER A 5 -12.046 -15.652 0.888 1.00 0.00 N ATOM 67 CA SER A 5 -11.022 -14.762 0.364 1.00 0.00 C ATOM 68 C SER A 5 -10.691 -15.205 -1.058 1.00 0.00 C ATOM 69 O SER A 5 -9.829 -16.076 -1.263 1.00 0.00 O ATOM 70 CB SER A 5 -9.761 -14.804 1.235 1.00 0.00 C ATOM 71 OG SER A 5 -9.725 -13.719 2.155 1.00 0.00 O ATOM 0 H SER A 5 -11.728 -16.612 1.023 1.00 0.00 H new ATOM 0 HA SER A 5 -11.392 -13.737 0.368 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.726 -15.747 1.781 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.877 -14.772 0.598 1.00 0.00 H new ATOM 0 HG SER A 5 -8.972 -13.131 1.938 1.00 0.00 H new ATOM 77 N PRO A 6 -11.378 -14.645 -2.073 1.00 0.00 N ATOM 78 CA PRO A 6 -11.130 -15.003 -3.453 1.00 0.00 C ATOM 79 C PRO A 6 -9.854 -14.346 -3.936 1.00 0.00 C ATOM 80 O PRO A 6 -9.805 -13.125 -4.022 1.00 0.00 O ATOM 81 CB PRO A 6 -12.354 -14.449 -4.218 1.00 0.00 C ATOM 82 CG PRO A 6 -13.225 -13.771 -3.199 1.00 0.00 C ATOM 83 CD PRO A 6 -12.400 -13.594 -1.956 1.00 0.00 C ATOM 0 HA PRO A 6 -11.006 -16.076 -3.597 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -12.043 -13.746 -4.991 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -12.895 -15.253 -4.717 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -13.573 -12.807 -3.570 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -14.111 -14.371 -2.990 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -11.952 -12.601 -1.909 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -13.000 -13.716 -1.054 1.00 0.00 H new ATOM 91 N LYS A 7 -8.813 -15.152 -4.218 1.00 0.00 N ATOM 92 CA LYS A 7 -7.500 -14.631 -4.677 1.00 0.00 C ATOM 93 C LYS A 7 -7.667 -13.390 -5.565 1.00 0.00 C ATOM 94 O LYS A 7 -7.087 -12.340 -5.288 1.00 0.00 O ATOM 95 CB LYS A 7 -6.704 -15.716 -5.427 1.00 0.00 C ATOM 96 CG LYS A 7 -6.166 -16.837 -4.534 1.00 0.00 C ATOM 97 CD LYS A 7 -5.007 -17.581 -5.204 1.00 0.00 C ATOM 98 CE LYS A 7 -5.102 -19.101 -5.013 1.00 0.00 C ATOM 99 NZ LYS A 7 -6.429 -19.651 -5.399 1.00 0.00 N ATOM 0 H LYS A 7 -8.850 -16.168 -4.138 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.940 -14.341 -3.788 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -7.343 -16.154 -6.193 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -5.867 -15.245 -5.942 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -5.831 -16.418 -3.585 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.968 -17.539 -4.307 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -4.998 -17.351 -6.269 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.063 -17.224 -4.793 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.327 -19.586 -5.606 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.903 -19.344 -3.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.297 -20.539 -5.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.991 -19.834 -4.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.928 -18.964 -6.000 1.00 0.00 H new ATOM 113 N ARG A 8 -8.520 -13.506 -6.592 1.00 0.00 N ATOM 114 CA ARG A 8 -8.825 -12.383 -7.490 1.00 0.00 C ATOM 115 C ARG A 8 -9.261 -11.159 -6.705 1.00 0.00 C ATOM 116 O ARG A 8 -8.673 -10.084 -6.834 1.00 0.00 O ATOM 117 CB ARG A 8 -9.949 -12.740 -8.470 1.00 0.00 C ATOM 118 CG ARG A 8 -9.528 -13.542 -9.678 1.00 0.00 C ATOM 119 CD ARG A 8 -9.860 -15.023 -9.509 1.00 0.00 C ATOM 120 NE ARG A 8 -10.627 -15.569 -10.642 1.00 0.00 N ATOM 121 CZ ARG A 8 -11.906 -15.258 -10.958 1.00 0.00 C ATOM 122 NH1 ARG A 8 -12.546 -14.286 -10.306 1.00 0.00 N ATOM 123 NH2 ARG A 8 -12.520 -15.911 -11.937 1.00 0.00 N ATOM 0 H ARG A 8 -9.013 -14.369 -6.822 1.00 0.00 H new ATOM 0 HA ARG A 8 -7.909 -12.168 -8.041 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.712 -13.301 -7.931 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.415 -11.816 -8.813 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -10.028 -13.155 -10.566 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -8.456 -13.424 -9.839 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -8.934 -15.588 -9.397 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -10.430 -15.160 -8.590 1.00 0.00 H new ATOM 0 HE ARG A 8 -10.151 -16.242 -11.243 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -12.072 -13.772 -9.564 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -13.510 -14.057 -10.550 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -12.028 -16.644 -12.448 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -13.484 -15.680 -12.178 1.00 0.00 H new ATOM 137 N HIS A 9 -10.331 -11.320 -5.946 1.00 0.00 N ATOM 138 CA HIS A 9 -10.916 -10.230 -5.177 1.00 0.00 C ATOM 139 C HIS A 9 -9.985 -9.759 -4.081 1.00 0.00 C ATOM 140 O HIS A 9 -9.864 -8.574 -3.862 1.00 0.00 O ATOM 141 CB HIS A 9 -12.251 -10.651 -4.568 1.00 0.00 C ATOM 142 CG HIS A 9 -13.341 -10.877 -5.573 1.00 0.00 C ATOM 143 ND1 HIS A 9 -14.597 -10.327 -5.449 1.00 0.00 N ATOM 144 CD2 HIS A 9 -13.366 -11.615 -6.719 1.00 0.00 C ATOM 145 CE1 HIS A 9 -15.347 -10.714 -6.464 1.00 0.00 C ATOM 146 NE2 HIS A 9 -14.623 -11.498 -7.249 1.00 0.00 N ATOM 0 H HIS A 9 -10.820 -12.209 -5.844 1.00 0.00 H new ATOM 0 HA HIS A 9 -11.081 -9.403 -5.868 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -12.104 -11.567 -3.996 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -12.574 -9.884 -3.864 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -12.547 -12.185 -7.132 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -16.378 -10.438 -6.627 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -14.949 -11.942 -8.108 1.00 0.00 H new ATOM 155 N ASP A 10 -9.321 -10.694 -3.406 1.00 0.00 N ATOM 156 CA ASP A 10 -8.393 -10.353 -2.314 1.00 0.00 C ATOM 157 C ASP A 10 -7.213 -9.569 -2.847 1.00 0.00 C ATOM 158 O ASP A 10 -6.922 -8.472 -2.361 1.00 0.00 O ATOM 159 CB ASP A 10 -7.927 -11.612 -1.561 1.00 0.00 C ATOM 160 CG ASP A 10 -8.724 -11.874 -0.311 1.00 0.00 C ATOM 161 OD1 ASP A 10 -9.959 -11.729 -0.330 1.00 0.00 O ATOM 162 OD2 ASP A 10 -8.124 -12.229 0.711 1.00 0.00 O ATOM 0 H ASP A 10 -9.403 -11.694 -3.590 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.927 -9.725 -1.601 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.004 -12.475 -2.223 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.874 -11.504 -1.299 1.00 0.00 H new ATOM 167 N VAL A 11 -6.586 -10.078 -3.911 1.00 0.00 N ATOM 168 CA VAL A 11 -5.516 -9.343 -4.572 1.00 0.00 C ATOM 169 C VAL A 11 -6.082 -8.017 -5.100 1.00 0.00 C ATOM 170 O VAL A 11 -5.517 -6.956 -4.838 1.00 0.00 O ATOM 171 CB VAL A 11 -4.863 -10.168 -5.729 1.00 0.00 C ATOM 172 CG1 VAL A 11 -3.836 -9.345 -6.499 1.00 0.00 C ATOM 173 CG2 VAL A 11 -4.209 -11.428 -5.176 1.00 0.00 C ATOM 0 H VAL A 11 -6.800 -10.985 -4.325 1.00 0.00 H new ATOM 0 HA VAL A 11 -4.726 -9.149 -3.846 1.00 0.00 H new ATOM 0 HB VAL A 11 -5.657 -10.446 -6.422 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.405 -9.953 -7.294 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -4.322 -8.471 -6.933 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -3.046 -9.022 -5.821 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.759 -11.992 -5.992 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.438 -11.152 -4.457 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.962 -12.042 -4.682 1.00 0.00 H new ATOM 183 N ALA A 12 -7.260 -8.079 -5.766 1.00 0.00 N ATOM 184 CA ALA A 12 -7.956 -6.864 -6.231 1.00 0.00 C ATOM 185 C ALA A 12 -8.120 -5.889 -5.068 1.00 0.00 C ATOM 186 O ALA A 12 -7.827 -4.700 -5.207 1.00 0.00 O ATOM 187 CB ALA A 12 -9.324 -7.201 -6.830 1.00 0.00 C ATOM 0 H ALA A 12 -7.741 -8.950 -5.990 1.00 0.00 H new ATOM 0 HA ALA A 12 -7.353 -6.402 -7.013 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.811 -6.285 -7.163 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -9.194 -7.872 -7.679 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -9.942 -7.687 -6.075 1.00 0.00 H new ATOM 193 N GLN A 13 -8.555 -6.418 -3.917 1.00 0.00 N ATOM 194 CA GLN A 13 -8.709 -5.650 -2.686 1.00 0.00 C ATOM 195 C GLN A 13 -7.364 -5.056 -2.273 1.00 0.00 C ATOM 196 O GLN A 13 -7.264 -3.855 -2.047 1.00 0.00 O ATOM 197 CB GLN A 13 -9.261 -6.551 -1.557 1.00 0.00 C ATOM 198 CG GLN A 13 -10.734 -6.918 -1.706 1.00 0.00 C ATOM 199 CD GLN A 13 -11.594 -6.326 -0.614 1.00 0.00 C ATOM 200 OE1 GLN A 13 -12.375 -5.404 -0.863 1.00 0.00 O ATOM 201 NE2 GLN A 13 -11.463 -6.834 0.599 1.00 0.00 N ATOM 0 H GLN A 13 -8.811 -7.400 -3.819 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.417 -4.840 -2.862 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.673 -7.468 -1.520 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -9.120 -6.044 -0.603 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.094 -6.572 -2.675 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.837 -8.003 -1.696 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.806 -7.596 0.764 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -12.019 -6.464 1.370 1.00 0.00 H new ATOM 210 N LEU A 14 -6.321 -5.901 -2.236 1.00 0.00 N ATOM 211 CA LEU A 14 -4.958 -5.450 -1.906 1.00 0.00 C ATOM 212 C LEU A 14 -4.536 -4.338 -2.863 1.00 0.00 C ATOM 213 O LEU A 14 -4.166 -3.237 -2.427 1.00 0.00 O ATOM 214 CB LEU A 14 -3.953 -6.626 -1.983 1.00 0.00 C ATOM 215 CG LEU A 14 -2.915 -6.735 -0.847 1.00 0.00 C ATOM 216 CD1 LEU A 14 -2.395 -5.369 -0.432 1.00 0.00 C ATOM 217 CD2 LEU A 14 -3.493 -7.461 0.350 1.00 0.00 C ATOM 0 H LEU A 14 -6.395 -6.900 -2.430 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.958 -5.068 -0.885 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.521 -7.556 -2.013 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -3.415 -6.550 -2.928 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.075 -7.313 -1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.666 -5.485 0.370 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.921 -4.885 -1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.225 -4.755 -0.082 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -2.740 -7.524 1.136 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.361 -6.916 0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.794 -8.466 0.055 1.00 0.00 H new ATOM 229 N LYS A 15 -4.657 -4.620 -4.172 1.00 0.00 N ATOM 230 CA LYS A 15 -4.358 -3.648 -5.222 1.00 0.00 C ATOM 231 C LYS A 15 -5.137 -2.367 -4.966 1.00 0.00 C ATOM 232 O LYS A 15 -4.546 -1.317 -4.720 1.00 0.00 O ATOM 233 CB LYS A 15 -4.724 -4.209 -6.617 1.00 0.00 C ATOM 234 CG LYS A 15 -3.534 -4.413 -7.550 1.00 0.00 C ATOM 235 CD LYS A 15 -3.916 -5.243 -8.787 1.00 0.00 C ATOM 236 CE LYS A 15 -4.645 -4.408 -9.854 1.00 0.00 C ATOM 237 NZ LYS A 15 -3.987 -3.091 -10.105 1.00 0.00 N ATOM 0 H LYS A 15 -4.964 -5.527 -4.524 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.288 -3.440 -5.205 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.236 -5.163 -6.488 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.431 -3.530 -7.094 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.150 -3.443 -7.867 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.730 -4.913 -7.010 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -3.015 -5.676 -9.222 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.553 -6.073 -8.481 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.686 -4.972 -10.786 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -5.674 -4.241 -9.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.275 -2.731 -11.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.273 -2.414 -9.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.954 -3.209 -10.084 1.00 0.00 H new ATOM 251 N PHE A 16 -6.474 -2.476 -4.978 1.00 0.00 N ATOM 252 CA PHE A 16 -7.351 -1.332 -4.732 1.00 0.00 C ATOM 253 C PHE A 16 -6.958 -0.589 -3.472 1.00 0.00 C ATOM 254 O PHE A 16 -6.871 0.635 -3.492 1.00 0.00 O ATOM 255 CB PHE A 16 -8.834 -1.738 -4.660 1.00 0.00 C ATOM 256 CG PHE A 16 -9.739 -0.945 -5.572 1.00 0.00 C ATOM 257 CD1 PHE A 16 -9.507 0.404 -5.818 1.00 0.00 C ATOM 258 CD2 PHE A 16 -10.823 -1.547 -6.179 1.00 0.00 C ATOM 259 CE1 PHE A 16 -10.337 1.120 -6.649 1.00 0.00 C ATOM 260 CE2 PHE A 16 -11.655 -0.832 -7.010 1.00 0.00 C ATOM 261 CZ PHE A 16 -11.411 0.501 -7.246 1.00 0.00 C ATOM 0 H PHE A 16 -6.968 -3.350 -5.157 1.00 0.00 H new ATOM 0 HA PHE A 16 -7.226 -0.665 -5.585 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -8.922 -2.795 -4.910 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -9.181 -1.623 -3.633 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -8.666 0.895 -5.351 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -11.021 -2.593 -5.999 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -10.146 2.167 -6.833 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -12.499 -1.317 -7.477 1.00 0.00 H new ATOM 0 HZ PHE A 16 -12.062 1.062 -7.900 1.00 0.00 H new ATOM 271 N LEU A 17 -6.730 -1.310 -2.371 1.00 0.00 N ATOM 272 CA LEU A 17 -6.326 -0.666 -1.115 1.00 0.00 C ATOM 273 C LEU A 17 -5.052 0.145 -1.334 1.00 0.00 C ATOM 274 O LEU A 17 -5.009 1.352 -1.025 1.00 0.00 O ATOM 275 CB LEU A 17 -6.121 -1.702 0.012 1.00 0.00 C ATOM 276 CG LEU A 17 -7.259 -1.829 1.047 1.00 0.00 C ATOM 277 CD1 LEU A 17 -7.380 -0.568 1.889 1.00 0.00 C ATOM 278 CD2 LEU A 17 -8.588 -2.137 0.370 1.00 0.00 C ATOM 0 H LEU A 17 -6.816 -2.325 -2.321 1.00 0.00 H new ATOM 0 HA LEU A 17 -7.128 0.003 -0.803 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -5.967 -2.679 -0.447 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -5.203 -1.451 0.543 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.007 -2.660 1.705 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -8.190 -0.687 2.609 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.444 -0.394 2.421 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.593 0.283 1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -9.370 -2.221 1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.838 -1.334 -0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -8.509 -3.077 -0.176 1.00 0.00 H new ATOM 290 N CYS A 18 -4.042 -0.495 -1.946 1.00 0.00 N ATOM 291 CA CYS A 18 -2.789 0.185 -2.277 1.00 0.00 C ATOM 292 C CYS A 18 -3.062 1.370 -3.200 1.00 0.00 C ATOM 293 O CYS A 18 -2.695 2.489 -2.883 1.00 0.00 O ATOM 294 CB CYS A 18 -1.786 -0.780 -2.928 1.00 0.00 C ATOM 295 SG CYS A 18 -1.102 -2.018 -1.800 1.00 0.00 S ATOM 0 H CYS A 18 -4.073 -1.477 -2.218 1.00 0.00 H new ATOM 0 HA CYS A 18 -2.347 0.551 -1.350 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -2.277 -1.292 -3.756 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -0.966 -0.201 -3.353 1.00 0.00 H new ATOM 0 HG CYS A 18 -0.734 -3.065 -2.477 1.00 0.00 H new ATOM 301 N GLU A 19 -3.725 1.109 -4.330 1.00 0.00 N ATOM 302 CA GLU A 19 -4.078 2.145 -5.309 1.00 0.00 C ATOM 303 C GLU A 19 -4.865 3.300 -4.674 1.00 0.00 C ATOM 304 O GLU A 19 -4.603 4.468 -4.972 1.00 0.00 O ATOM 305 CB GLU A 19 -4.876 1.523 -6.447 1.00 0.00 C ATOM 306 CG GLU A 19 -4.108 0.449 -7.209 1.00 0.00 C ATOM 307 CD GLU A 19 -4.911 -0.165 -8.304 1.00 0.00 C ATOM 308 OE1 GLU A 19 -5.557 0.574 -9.057 1.00 0.00 O ATOM 309 OE2 GLU A 19 -4.895 -1.382 -8.433 1.00 0.00 O ATOM 0 H GLU A 19 -4.033 0.173 -4.594 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.150 2.566 -5.697 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.791 1.088 -6.044 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.175 2.307 -7.142 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.202 0.885 -7.629 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.794 -0.330 -6.514 1.00 0.00 H new ATOM 316 N SER A 20 -5.816 2.978 -3.801 1.00 0.00 N ATOM 317 CA SER A 20 -6.603 4.008 -3.116 1.00 0.00 C ATOM 318 C SER A 20 -5.673 4.879 -2.285 1.00 0.00 C ATOM 319 O SER A 20 -5.582 6.083 -2.510 1.00 0.00 O ATOM 320 CB SER A 20 -7.704 3.391 -2.220 1.00 0.00 C ATOM 321 OG SER A 20 -8.494 2.424 -2.936 1.00 0.00 O ATOM 0 H SER A 20 -6.062 2.020 -3.550 1.00 0.00 H new ATOM 0 HA SER A 20 -7.104 4.614 -3.871 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.244 2.915 -1.354 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.352 4.182 -1.843 1.00 0.00 H new ATOM 0 HG SER A 20 -8.080 1.539 -2.856 1.00 0.00 H new ATOM 327 N LEU A 21 -4.904 4.243 -1.388 1.00 0.00 N ATOM 328 CA LEU A 21 -3.920 4.965 -0.578 1.00 0.00 C ATOM 329 C LEU A 21 -2.915 5.693 -1.463 1.00 0.00 C ATOM 330 O LEU A 21 -2.581 6.845 -1.201 1.00 0.00 O ATOM 331 CB LEU A 21 -3.212 4.034 0.406 1.00 0.00 C ATOM 332 CG LEU A 21 -2.208 4.706 1.348 1.00 0.00 C ATOM 333 CD1 LEU A 21 -2.529 4.391 2.795 1.00 0.00 C ATOM 334 CD2 LEU A 21 -0.793 4.283 1.002 1.00 0.00 C ATOM 0 H LEU A 21 -4.946 3.240 -1.209 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.458 5.711 0.007 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.967 3.530 1.009 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.691 3.263 -0.162 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.285 5.785 1.217 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.802 4.880 3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.529 4.754 3.033 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.487 3.313 2.951 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.092 4.769 1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.702 3.201 1.100 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.567 4.574 -0.024 1.00 0.00 H new ATOM 346 N TYR A 22 -2.475 5.026 -2.524 1.00 0.00 N ATOM 347 CA TYR A 22 -1.574 5.614 -3.515 1.00 0.00 C ATOM 348 C TYR A 22 -2.143 6.959 -3.966 1.00 0.00 C ATOM 349 O TYR A 22 -1.440 7.974 -3.960 1.00 0.00 O ATOM 350 CB TYR A 22 -1.449 4.653 -4.733 1.00 0.00 C ATOM 351 CG TYR A 22 -0.478 5.065 -5.836 1.00 0.00 C ATOM 352 CD1 TYR A 22 -0.566 6.303 -6.467 1.00 0.00 C ATOM 353 CD2 TYR A 22 0.513 4.194 -6.259 1.00 0.00 C ATOM 354 CE1 TYR A 22 0.303 6.653 -7.470 1.00 0.00 C ATOM 355 CE2 TYR A 22 1.384 4.541 -7.265 1.00 0.00 C ATOM 356 CZ TYR A 22 1.273 5.770 -7.865 1.00 0.00 C ATOM 357 OH TYR A 22 2.163 6.125 -8.858 1.00 0.00 O ATOM 0 H TYR A 22 -2.732 4.059 -2.724 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.586 5.766 -3.080 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -1.148 3.673 -4.363 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.438 4.536 -5.177 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -1.332 7.001 -6.162 1.00 0.00 H new ATOM 0 HD2 TYR A 22 0.603 3.225 -5.790 1.00 0.00 H new ATOM 0 HE1 TYR A 22 0.223 7.619 -7.945 1.00 0.00 H new ATOM 0 HE2 TYR A 22 2.151 3.850 -7.581 1.00 0.00 H new ATOM 0 HH TYR A 22 2.291 7.097 -8.851 1.00 0.00 H new ATOM 367 N ASP A 23 -3.437 6.962 -4.312 1.00 0.00 N ATOM 368 CA ASP A 23 -4.119 8.181 -4.758 1.00 0.00 C ATOM 369 C ASP A 23 -4.262 9.165 -3.618 1.00 0.00 C ATOM 370 O ASP A 23 -3.793 10.306 -3.729 1.00 0.00 O ATOM 371 CB ASP A 23 -5.495 7.873 -5.373 1.00 0.00 C ATOM 372 CG ASP A 23 -6.255 9.114 -5.729 1.00 0.00 C ATOM 373 OD1 ASP A 23 -5.981 9.696 -6.782 1.00 0.00 O ATOM 374 OD2 ASP A 23 -7.124 9.518 -4.960 1.00 0.00 O ATOM 0 H ASP A 23 -4.031 6.133 -4.291 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.501 8.631 -5.535 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -5.362 7.264 -6.267 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.080 7.282 -4.669 1.00 0.00 H new ATOM 379 N GLU A 24 -4.894 8.721 -2.513 1.00 0.00 N ATOM 380 CA GLU A 24 -5.070 9.578 -1.324 1.00 0.00 C ATOM 381 C GLU A 24 -3.739 10.231 -0.961 1.00 0.00 C ATOM 382 O GLU A 24 -3.646 11.450 -0.846 1.00 0.00 O ATOM 383 CB GLU A 24 -5.575 8.779 -0.097 1.00 0.00 C ATOM 384 CG GLU A 24 -6.795 7.884 -0.333 1.00 0.00 C ATOM 385 CD GLU A 24 -8.109 8.602 -0.221 1.00 0.00 C ATOM 386 OE1 GLU A 24 -8.245 9.510 0.608 1.00 0.00 O ATOM 387 OE2 GLU A 24 -9.022 8.247 -0.971 1.00 0.00 O ATOM 0 H GLU A 24 -5.287 7.784 -2.419 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.818 10.330 -1.576 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.758 8.156 0.267 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -5.816 9.486 0.697 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.719 7.438 -1.325 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.777 7.066 0.387 1.00 0.00 H new ATOM 394 N GLY A 25 -2.704 9.394 -0.811 1.00 0.00 N ATOM 395 CA GLY A 25 -1.381 9.861 -0.474 1.00 0.00 C ATOM 396 C GLY A 25 -0.856 10.865 -1.449 1.00 0.00 C ATOM 397 O GLY A 25 -0.619 12.001 -1.067 1.00 0.00 O ATOM 0 H GLY A 25 -2.774 8.382 -0.922 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.399 10.304 0.522 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.700 9.011 -0.432 1.00 0.00 H new ATOM 401 N ILE A 26 -0.722 10.480 -2.731 1.00 0.00 N ATOM 402 CA ILE A 26 -0.261 11.425 -3.763 1.00 0.00 C ATOM 403 C ILE A 26 -1.100 12.707 -3.697 1.00 0.00 C ATOM 404 O ILE A 26 -0.553 13.821 -3.723 1.00 0.00 O ATOM 405 CB ILE A 26 -0.330 10.813 -5.208 1.00 0.00 C ATOM 406 CG1 ILE A 26 0.600 9.601 -5.338 1.00 0.00 C ATOM 407 CG2 ILE A 26 0.025 11.849 -6.275 1.00 0.00 C ATOM 408 CD1 ILE A 26 2.076 9.960 -5.386 1.00 0.00 C ATOM 0 H ILE A 26 -0.922 9.540 -3.072 1.00 0.00 H new ATOM 0 HA ILE A 26 0.786 11.651 -3.559 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.359 10.490 -5.368 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.426 8.930 -4.497 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.340 9.051 -6.243 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.033 11.390 -7.262 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.676 12.682 -6.221 1.00 0.00 H new ATOM 0 HG23 ILE A 26 1.038 12.215 -6.104 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.669 9.050 -5.478 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.266 10.605 -6.244 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.353 10.482 -4.470 1.00 0.00 H new ATOM 420 N ALA A 27 -2.420 12.535 -3.552 1.00 0.00 N ATOM 421 CA ALA A 27 -3.344 13.650 -3.434 1.00 0.00 C ATOM 422 C ALA A 27 -3.002 14.535 -2.253 1.00 0.00 C ATOM 423 O ALA A 27 -2.878 15.736 -2.415 1.00 0.00 O ATOM 424 CB ALA A 27 -4.790 13.166 -3.306 1.00 0.00 C ATOM 0 H ALA A 27 -2.868 11.619 -3.514 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.247 14.234 -4.349 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -5.455 14.025 -3.220 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -5.059 12.586 -4.189 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.887 12.541 -2.418 1.00 0.00 H new ATOM 430 N THR A 28 -2.906 13.952 -1.055 1.00 0.00 N ATOM 431 CA THR A 28 -2.662 14.749 0.153 1.00 0.00 C ATOM 432 C THR A 28 -1.190 15.191 0.283 1.00 0.00 C ATOM 433 O THR A 28 -0.919 16.331 0.699 1.00 0.00 O ATOM 434 CB THR A 28 -3.173 14.018 1.431 1.00 0.00 C ATOM 435 OG1 THR A 28 -2.868 14.727 2.620 1.00 0.00 O ATOM 436 CG2 THR A 28 -2.648 12.623 1.598 1.00 0.00 C ATOM 0 H THR A 28 -2.992 12.948 -0.895 1.00 0.00 H new ATOM 0 HA THR A 28 -3.243 15.665 0.050 1.00 0.00 H new ATOM 0 HB THR A 28 -4.251 13.971 1.274 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.093 14.174 3.397 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.054 12.189 2.512 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.948 12.017 0.744 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.560 12.649 1.660 1.00 0.00 H new ATOM 444 N LEU A 29 -0.250 14.309 -0.099 1.00 0.00 N ATOM 445 CA LEU A 29 1.190 14.588 0.009 1.00 0.00 C ATOM 446 C LEU A 29 1.618 15.753 -0.880 1.00 0.00 C ATOM 447 O LEU A 29 2.619 16.432 -0.578 1.00 0.00 O ATOM 448 CB LEU A 29 2.016 13.338 -0.342 1.00 0.00 C ATOM 449 CG LEU A 29 1.883 12.154 0.630 1.00 0.00 C ATOM 450 CD1 LEU A 29 2.312 10.853 -0.027 1.00 0.00 C ATOM 451 CD2 LEU A 29 2.689 12.397 1.896 1.00 0.00 C ATOM 0 H LEU A 29 -0.466 13.391 -0.488 1.00 0.00 H new ATOM 0 HA LEU A 29 1.380 14.868 1.045 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.725 13.001 -1.337 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.067 13.623 -0.396 1.00 0.00 H new ATOM 0 HG LEU A 29 0.831 12.068 0.901 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.207 10.034 0.685 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.684 10.660 -0.897 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.353 10.930 -0.341 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.578 11.545 2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 29 3.741 12.522 1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.327 13.298 2.391 1.00 0.00 H new ATOM 463 N GLY A 30 0.858 16.022 -1.935 1.00 0.00 N ATOM 464 CA GLY A 30 1.162 17.150 -2.784 1.00 0.00 C ATOM 465 C GLY A 30 -0.017 18.064 -2.934 1.00 0.00 C ATOM 466 O GLY A 30 -0.284 18.532 -4.032 1.00 0.00 O ATOM 0 H GLY A 30 0.041 15.479 -2.214 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.002 17.705 -2.365 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.473 16.793 -3.766 1.00 0.00 H new ATOM 470 N ASP A 31 -0.753 18.300 -1.839 1.00 0.00 N ATOM 471 CA ASP A 31 -1.925 19.150 -1.887 1.00 0.00 C ATOM 472 C ASP A 31 -1.668 20.516 -1.290 1.00 0.00 C ATOM 473 O ASP A 31 -1.267 20.638 -0.119 1.00 0.00 O ATOM 474 CB ASP A 31 -3.131 18.502 -1.210 1.00 0.00 C ATOM 475 CG ASP A 31 -4.370 19.348 -1.242 1.00 0.00 C ATOM 476 OD1 ASP A 31 -4.543 20.136 -2.185 1.00 0.00 O ATOM 477 OD2 ASP A 31 -5.184 19.216 -0.340 1.00 0.00 O ATOM 0 H ASP A 31 -0.549 17.911 -0.918 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.155 19.281 -2.944 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.340 17.549 -1.696 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.879 18.282 -0.173 1.00 0.00 H new ATOM 482 N SER A 32 -1.940 21.537 -2.070 1.00 0.00 N ATOM 483 CA SER A 32 -1.796 22.909 -1.628 1.00 0.00 C ATOM 484 C SER A 32 -2.928 23.309 -0.665 1.00 0.00 C ATOM 485 O SER A 32 -2.716 24.158 0.217 1.00 0.00 O ATOM 486 CB SER A 32 -1.770 23.862 -2.831 1.00 0.00 C ATOM 487 OG SER A 32 -2.002 23.158 -4.066 1.00 0.00 O ATOM 0 H SER A 32 -2.268 21.441 -3.031 1.00 0.00 H new ATOM 0 HA SER A 32 -0.850 22.986 -1.092 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.529 24.633 -2.702 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.806 24.368 -2.875 1.00 0.00 H new ATOM 0 HG SER A 32 -2.945 22.898 -4.122 1.00 0.00 H new ATOM 493 N HIS A 33 -4.134 22.720 -0.849 1.00 0.00 N ATOM 494 CA HIS A 33 -5.318 23.054 -0.027 1.00 0.00 C ATOM 495 C HIS A 33 -5.018 23.004 1.461 1.00 0.00 C ATOM 496 O HIS A 33 -5.373 23.935 2.185 1.00 0.00 O ATOM 497 CB HIS A 33 -6.532 22.163 -0.347 1.00 0.00 C ATOM 498 CG HIS A 33 -7.056 22.330 -1.740 1.00 0.00 C ATOM 499 ND1 HIS A 33 -6.509 21.692 -2.818 1.00 0.00 N ATOM 500 CD2 HIS A 33 -8.071 23.077 -2.226 1.00 0.00 C ATOM 501 CE1 HIS A 33 -7.152 22.035 -3.917 1.00 0.00 C ATOM 502 NE2 HIS A 33 -8.111 22.877 -3.591 1.00 0.00 N ATOM 0 H HIS A 33 -4.311 22.011 -1.561 1.00 0.00 H new ATOM 0 HA HIS A 33 -5.574 24.080 -0.292 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -6.255 21.120 -0.196 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -7.331 22.386 0.360 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -5.720 21.046 -2.778 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -8.729 23.713 -1.653 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.930 21.685 -4.914 1.00 0.00 H new ATOM 511 N HIS A 34 -4.361 21.927 1.930 1.00 0.00 N ATOM 512 CA HIS A 34 -4.039 21.839 3.363 1.00 0.00 C ATOM 513 C HIS A 34 -2.825 22.683 3.762 1.00 0.00 C ATOM 514 O HIS A 34 -2.625 22.954 4.955 1.00 0.00 O ATOM 515 CB HIS A 34 -3.885 20.410 3.890 1.00 0.00 C ATOM 516 CG HIS A 34 -2.816 19.641 3.246 1.00 0.00 C ATOM 517 ND1 HIS A 34 -1.588 19.404 3.816 1.00 0.00 N ATOM 518 CD2 HIS A 34 -2.812 19.042 2.077 1.00 0.00 C ATOM 519 CE1 HIS A 34 -0.872 18.664 2.998 1.00 0.00 C ATOM 520 NE2 HIS A 34 -1.588 18.422 1.925 1.00 0.00 N ATOM 0 H HIS A 34 -4.054 21.136 1.363 1.00 0.00 H new ATOM 0 HA HIS A 34 -4.921 22.261 3.846 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -3.693 20.449 4.962 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -4.829 19.882 3.755 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -1.282 19.747 4.726 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -3.622 19.036 1.362 1.00 0.00 H new ATOM 0 HE1 HIS A 34 0.134 18.315 3.178 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -1.292 17.872 1.119 1.00 0.00 H new ATOM 529 N GLY A 35 -1.999 23.088 2.786 1.00 0.00 N ATOM 530 CA GLY A 35 -0.817 23.881 3.112 1.00 0.00 C ATOM 531 C GLY A 35 0.492 23.126 2.963 1.00 0.00 C ATOM 532 O GLY A 35 1.483 23.498 3.596 1.00 0.00 O ATOM 0 H GLY A 35 -2.126 22.885 1.795 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.793 24.760 2.468 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.904 24.239 4.138 1.00 0.00 H new ATOM 536 N TRP A 36 0.490 22.012 2.224 1.00 0.00 N ATOM 537 CA TRP A 36 1.674 21.148 2.049 1.00 0.00 C ATOM 538 C TRP A 36 2.039 20.367 3.317 1.00 0.00 C ATOM 539 O TRP A 36 2.218 19.146 3.251 1.00 0.00 O ATOM 540 CB TRP A 36 2.867 21.910 1.489 1.00 0.00 C ATOM 541 CG TRP A 36 3.759 21.032 0.668 1.00 0.00 C ATOM 542 CD1 TRP A 36 3.764 20.895 -0.689 1.00 0.00 C ATOM 543 CD2 TRP A 36 4.760 20.143 1.166 1.00 0.00 C ATOM 544 NE1 TRP A 36 4.711 19.971 -1.060 1.00 0.00 N ATOM 545 CE2 TRP A 36 5.338 19.500 0.060 1.00 0.00 C ATOM 546 CE3 TRP A 36 5.227 19.836 2.446 1.00 0.00 C ATOM 547 CZ2 TRP A 36 6.357 18.562 0.197 1.00 0.00 C ATOM 548 CZ3 TRP A 36 6.239 18.906 2.582 1.00 0.00 C ATOM 549 CH2 TRP A 36 6.794 18.280 1.461 1.00 0.00 C ATOM 0 H TRP A 36 -0.335 21.678 1.726 1.00 0.00 H new ATOM 0 HA TRP A 36 1.391 20.404 1.304 1.00 0.00 H new ATOM 0 HB2 TRP A 36 2.512 22.740 0.877 1.00 0.00 H new ATOM 0 HB3 TRP A 36 3.439 22.341 2.310 1.00 0.00 H new ATOM 0 HD1 TRP A 36 3.120 21.432 -1.370 1.00 0.00 H new ATOM 0 HE1 TRP A 36 4.914 19.683 -2.017 1.00 0.00 H new ATOM 0 HE3 TRP A 36 4.804 20.318 3.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 6.787 18.074 -0.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 6.607 18.659 3.567 1.00 0.00 H new ATOM 0 HH2 TRP A 36 7.585 17.558 1.597 1.00 0.00 H new ATOM 560 N VAL A 37 2.053 21.026 4.477 1.00 0.00 N ATOM 561 CA VAL A 37 2.266 20.304 5.732 1.00 0.00 C ATOM 562 C VAL A 37 0.995 19.505 6.010 1.00 0.00 C ATOM 563 O VAL A 37 -0.128 20.014 5.808 1.00 0.00 O ATOM 564 CB VAL A 37 2.595 21.233 6.954 1.00 0.00 C ATOM 565 CG1 VAL A 37 4.098 21.339 7.165 1.00 0.00 C ATOM 566 CG2 VAL A 37 1.986 22.626 6.807 1.00 0.00 C ATOM 0 H VAL A 37 1.923 22.033 4.574 1.00 0.00 H new ATOM 0 HA VAL A 37 3.141 19.664 5.615 1.00 0.00 H new ATOM 0 HB VAL A 37 2.143 20.769 7.830 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.301 21.988 8.017 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.509 20.348 7.357 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.562 21.757 6.272 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.243 23.229 7.678 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.378 23.101 5.908 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.902 22.543 6.730 1.00 0.00 H new ATOM 576 N ASN A 38 1.152 18.244 6.344 1.00 0.00 N ATOM 577 CA ASN A 38 0.009 17.359 6.503 1.00 0.00 C ATOM 578 C ASN A 38 -0.593 17.421 7.887 1.00 0.00 C ATOM 579 O ASN A 38 0.064 17.091 8.880 1.00 0.00 O ATOM 580 CB ASN A 38 0.349 15.917 6.130 1.00 0.00 C ATOM 581 CG ASN A 38 -0.782 15.276 5.365 1.00 0.00 C ATOM 582 OD1 ASN A 38 -1.690 14.710 5.960 1.00 0.00 O ATOM 583 ND2 ASN A 38 -0.747 15.371 4.046 1.00 0.00 N ATOM 0 H ASN A 38 2.057 17.804 6.512 1.00 0.00 H new ATOM 0 HA ASN A 38 -0.746 17.723 5.806 1.00 0.00 H new ATOM 0 HB2 ASN A 38 1.257 15.898 5.528 1.00 0.00 H new ATOM 0 HB3 ASN A 38 0.554 15.342 7.033 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -1.495 14.964 3.485 1.00 0.00 H new ATOM 0 HD22 ASN A 38 0.028 15.851 3.590 1.00 0.00 H new ATOM 590 N ASP A 39 -1.876 17.784 7.939 1.00 0.00 N ATOM 591 CA ASP A 39 -2.631 17.822 9.188 1.00 0.00 C ATOM 592 C ASP A 39 -2.948 16.389 9.601 1.00 0.00 C ATOM 593 O ASP A 39 -3.682 15.698 8.888 1.00 0.00 O ATOM 594 CB ASP A 39 -3.942 18.618 9.000 1.00 0.00 C ATOM 595 CG ASP A 39 -4.704 18.840 10.275 1.00 0.00 C ATOM 596 OD1 ASP A 39 -5.179 17.871 10.869 1.00 0.00 O ATOM 597 OD2 ASP A 39 -4.842 19.996 10.685 1.00 0.00 O ATOM 0 H ASP A 39 -2.417 18.058 7.119 1.00 0.00 H new ATOM 0 HA ASP A 39 -2.041 18.315 9.961 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.708 19.585 8.554 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.580 18.087 8.294 1.00 0.00 H new ATOM 602 N PRO A 40 -2.381 15.899 10.724 1.00 0.00 N ATOM 603 CA PRO A 40 -2.584 14.510 11.181 1.00 0.00 C ATOM 604 C PRO A 40 -4.063 14.112 11.316 1.00 0.00 C ATOM 605 O PRO A 40 -4.397 12.930 11.229 1.00 0.00 O ATOM 606 CB PRO A 40 -1.883 14.453 12.552 1.00 0.00 C ATOM 607 CG PRO A 40 -1.569 15.875 12.910 1.00 0.00 C ATOM 608 CD PRO A 40 -1.468 16.633 11.616 1.00 0.00 C ATOM 0 HA PRO A 40 -2.181 13.806 10.452 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -2.527 13.994 13.302 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -0.975 13.853 12.502 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.349 16.296 13.545 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -0.635 15.936 13.469 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -1.771 17.673 11.734 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -0.448 16.639 11.232 1.00 0.00 H new ATOM 616 N THR A 41 -4.937 15.090 11.538 1.00 0.00 N ATOM 617 CA THR A 41 -6.358 14.814 11.691 1.00 0.00 C ATOM 618 C THR A 41 -7.126 14.946 10.369 1.00 0.00 C ATOM 619 O THR A 41 -8.309 14.590 10.313 1.00 0.00 O ATOM 620 CB THR A 41 -6.981 15.718 12.771 1.00 0.00 C ATOM 621 OG1 THR A 41 -7.138 17.074 12.317 1.00 0.00 O ATOM 622 CG2 THR A 41 -6.194 15.747 14.068 1.00 0.00 C ATOM 0 H THR A 41 -4.686 16.075 11.615 1.00 0.00 H new ATOM 0 HA THR A 41 -6.444 13.775 12.010 1.00 0.00 H new ATOM 0 HB THR A 41 -7.955 15.270 12.965 1.00 0.00 H new ATOM 0 HG1 THR A 41 -6.562 17.227 11.539 1.00 0.00 H new ATOM 0 HG21 THR A 41 -6.692 16.404 14.781 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.136 14.740 14.481 1.00 0.00 H new ATOM 0 HG23 THR A 41 -5.188 16.118 13.875 1.00 0.00 H new ATOM 630 N SER A 42 -6.488 15.503 9.324 1.00 0.00 N ATOM 631 CA SER A 42 -7.150 15.702 8.060 1.00 0.00 C ATOM 632 C SER A 42 -7.814 14.412 7.581 1.00 0.00 C ATOM 633 O SER A 42 -7.248 13.312 7.737 1.00 0.00 O ATOM 634 CB SER A 42 -6.172 16.258 7.019 1.00 0.00 C ATOM 635 OG SER A 42 -5.043 15.414 6.826 1.00 0.00 O ATOM 0 H SER A 42 -5.518 15.816 9.348 1.00 0.00 H new ATOM 0 HA SER A 42 -7.940 16.440 8.197 1.00 0.00 H new ATOM 0 HB2 SER A 42 -6.692 16.387 6.070 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.834 17.245 7.334 1.00 0.00 H new ATOM 0 HG SER A 42 -4.266 15.797 7.284 1.00 0.00 H new ATOM 641 N ALA A 43 -9.041 14.538 7.059 1.00 0.00 N ATOM 642 CA ALA A 43 -9.830 13.381 6.608 1.00 0.00 C ATOM 643 C ALA A 43 -8.975 12.348 5.894 1.00 0.00 C ATOM 644 O ALA A 43 -9.052 11.149 6.191 1.00 0.00 O ATOM 645 CB ALA A 43 -10.982 13.819 5.718 1.00 0.00 C ATOM 0 H ALA A 43 -9.512 15.434 6.938 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.238 12.910 7.502 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.548 12.944 5.399 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.636 14.492 6.273 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.589 14.336 4.842 1.00 0.00 H new ATOM 651 N VAL A 44 -8.186 12.791 4.931 1.00 0.00 N ATOM 652 CA VAL A 44 -7.330 11.875 4.170 1.00 0.00 C ATOM 653 C VAL A 44 -6.250 11.254 5.078 1.00 0.00 C ATOM 654 O VAL A 44 -6.110 10.027 5.105 1.00 0.00 O ATOM 655 CB VAL A 44 -6.707 12.546 2.902 1.00 0.00 C ATOM 656 CG1 VAL A 44 -6.015 13.855 3.232 1.00 0.00 C ATOM 657 CG2 VAL A 44 -5.764 11.603 2.174 1.00 0.00 C ATOM 0 H VAL A 44 -8.115 13.770 4.653 1.00 0.00 H new ATOM 0 HA VAL A 44 -7.967 11.070 3.803 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.536 12.774 2.231 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.597 14.285 2.322 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.736 14.549 3.664 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.214 13.673 3.948 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.351 12.105 1.299 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -4.953 11.312 2.842 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.310 10.714 1.858 1.00 0.00 H new ATOM 667 N ASN A 45 -5.561 12.086 5.893 1.00 0.00 N ATOM 668 CA ASN A 45 -4.572 11.567 6.879 1.00 0.00 C ATOM 669 C ASN A 45 -5.215 10.465 7.722 1.00 0.00 C ATOM 670 O ASN A 45 -4.605 9.410 7.962 1.00 0.00 O ATOM 671 CB ASN A 45 -4.056 12.690 7.806 1.00 0.00 C ATOM 672 CG ASN A 45 -2.712 12.376 8.450 1.00 0.00 C ATOM 673 OD1 ASN A 45 -2.589 11.446 9.245 1.00 0.00 O ATOM 674 ND2 ASN A 45 -1.691 13.147 8.120 1.00 0.00 N ATOM 0 H ASN A 45 -5.665 13.101 5.893 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.723 11.166 6.325 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.968 13.613 7.232 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -4.792 12.871 8.589 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.771 12.978 8.528 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -1.822 13.911 7.458 1.00 0.00 H new ATOM 681 N LEU A 46 -6.490 10.669 8.092 1.00 0.00 N ATOM 682 CA LEU A 46 -7.248 9.669 8.832 1.00 0.00 C ATOM 683 C LEU A 46 -7.517 8.463 7.948 1.00 0.00 C ATOM 684 O LEU A 46 -7.286 7.315 8.366 1.00 0.00 O ATOM 685 CB LEU A 46 -8.568 10.248 9.349 1.00 0.00 C ATOM 686 CG LEU A 46 -8.458 11.512 10.209 1.00 0.00 C ATOM 687 CD1 LEU A 46 -9.825 11.948 10.694 1.00 0.00 C ATOM 688 CD2 LEU A 46 -7.511 11.294 11.387 1.00 0.00 C ATOM 0 H LEU A 46 -7.011 11.522 7.886 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.655 9.359 9.692 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.204 10.470 8.492 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.075 9.479 9.932 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.044 12.307 9.589 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.726 12.847 11.303 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.465 12.159 9.837 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.270 11.152 11.292 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.452 12.207 11.980 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.885 10.481 12.009 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.519 11.039 11.014 1.00 0.00 H new ATOM 700 N GLN A 47 -7.982 8.719 6.705 1.00 0.00 N ATOM 701 CA GLN A 47 -8.236 7.647 5.761 1.00 0.00 C ATOM 702 C GLN A 47 -7.020 6.768 5.596 1.00 0.00 C ATOM 703 O GLN A 47 -7.095 5.553 5.772 1.00 0.00 O ATOM 704 CB GLN A 47 -8.652 8.173 4.417 1.00 0.00 C ATOM 705 CG GLN A 47 -10.138 8.295 4.346 1.00 0.00 C ATOM 706 CD GLN A 47 -10.519 9.312 3.392 1.00 0.00 C ATOM 707 OE1 GLN A 47 -10.159 10.488 3.726 1.00 0.00 O flip ATOM 708 NE2 GLN A 47 -11.158 9.047 2.373 1.00 0.00 N flip ATOM 0 H GLN A 47 -8.182 9.654 6.350 1.00 0.00 H new ATOM 0 HA GLN A 47 -9.055 7.057 6.172 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -8.192 9.145 4.241 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -8.297 7.505 3.632 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -10.574 7.338 4.059 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -10.535 8.544 5.330 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -11.413 8.081 2.168 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -11.432 9.794 1.734 1.00 0.00 H new ATOM 717 N LEU A 48 -5.886 7.413 5.286 1.00 0.00 N ATOM 718 CA LEU A 48 -4.599 6.734 5.109 1.00 0.00 C ATOM 719 C LEU A 48 -4.187 6.016 6.384 1.00 0.00 C ATOM 720 O LEU A 48 -3.721 4.884 6.326 1.00 0.00 O ATOM 721 CB LEU A 48 -3.507 7.733 4.713 1.00 0.00 C ATOM 722 CG LEU A 48 -3.804 8.606 3.482 1.00 0.00 C ATOM 723 CD1 LEU A 48 -3.327 10.031 3.698 1.00 0.00 C ATOM 724 CD2 LEU A 48 -3.169 8.018 2.236 1.00 0.00 C ATOM 0 H LEU A 48 -5.838 8.423 5.151 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.719 6.002 4.311 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.318 8.390 5.562 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.586 7.180 4.527 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.885 8.625 3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.549 10.627 2.813 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.837 10.459 4.561 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.252 10.032 3.875 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.393 8.653 1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.089 7.959 2.371 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.568 7.019 2.061 1.00 0.00 H new ATOM 736 N ASN A 49 -4.372 6.676 7.539 1.00 0.00 N ATOM 737 CA ASN A 49 -4.036 6.064 8.845 1.00 0.00 C ATOM 738 C ASN A 49 -4.771 4.759 8.987 1.00 0.00 C ATOM 739 O ASN A 49 -4.169 3.719 9.310 1.00 0.00 O ATOM 740 CB ASN A 49 -4.409 6.983 10.018 1.00 0.00 C ATOM 741 CG ASN A 49 -3.221 7.686 10.618 1.00 0.00 C ATOM 742 OD1 ASN A 49 -2.577 7.170 11.536 1.00 0.00 O ATOM 743 ND2 ASN A 49 -2.910 8.857 10.114 1.00 0.00 N ATOM 0 H ASN A 49 -4.748 7.622 7.601 1.00 0.00 H new ATOM 0 HA ASN A 49 -2.958 5.902 8.872 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.128 7.726 9.675 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.903 6.394 10.790 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.111 9.374 10.481 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.467 9.250 9.355 1.00 0.00 H new ATOM 750 N ASP A 50 -6.075 4.804 8.679 1.00 0.00 N ATOM 751 CA ASP A 50 -6.906 3.613 8.697 1.00 0.00 C ATOM 752 C ASP A 50 -6.362 2.621 7.700 1.00 0.00 C ATOM 753 O ASP A 50 -5.963 1.528 8.082 1.00 0.00 O ATOM 754 CB ASP A 50 -8.352 3.952 8.347 1.00 0.00 C ATOM 755 CG ASP A 50 -9.257 2.765 8.457 1.00 0.00 C ATOM 756 OD1 ASP A 50 -9.570 2.366 9.586 1.00 0.00 O ATOM 757 OD2 ASP A 50 -9.647 2.214 7.417 1.00 0.00 O ATOM 0 H ASP A 50 -6.568 5.657 8.416 1.00 0.00 H new ATOM 0 HA ASP A 50 -6.890 3.186 9.700 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.709 4.740 9.010 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -8.395 4.346 7.332 1.00 0.00 H new ATOM 762 N LEU A 51 -6.269 3.061 6.429 1.00 0.00 N ATOM 763 CA LEU A 51 -5.699 2.305 5.333 1.00 0.00 C ATOM 764 C LEU A 51 -4.464 1.545 5.771 1.00 0.00 C ATOM 765 O LEU A 51 -4.428 0.326 5.697 1.00 0.00 O ATOM 766 CB LEU A 51 -5.315 3.286 4.226 1.00 0.00 C ATOM 767 CG LEU A 51 -6.373 3.593 3.186 1.00 0.00 C ATOM 768 CD1 LEU A 51 -7.801 3.402 3.685 1.00 0.00 C ATOM 769 CD2 LEU A 51 -6.179 4.951 2.534 1.00 0.00 C ATOM 0 H LEU A 51 -6.603 3.982 6.145 1.00 0.00 H new ATOM 0 HA LEU A 51 -6.434 1.581 4.982 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.016 4.224 4.693 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.438 2.892 3.712 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.226 2.842 2.410 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.501 3.641 2.885 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.943 2.366 3.994 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.981 4.062 4.534 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.966 5.117 1.798 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.224 5.730 3.295 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.208 4.982 2.040 1.00 0.00 H new ATOM 781 N ILE A 52 -3.457 2.292 6.216 1.00 0.00 N ATOM 782 CA ILE A 52 -2.183 1.732 6.672 1.00 0.00 C ATOM 783 C ILE A 52 -2.394 0.454 7.510 1.00 0.00 C ATOM 784 O ILE A 52 -1.911 -0.621 7.139 1.00 0.00 O ATOM 785 CB ILE A 52 -1.362 2.796 7.487 1.00 0.00 C ATOM 786 CG1 ILE A 52 -0.872 3.915 6.568 1.00 0.00 C ATOM 787 CG2 ILE A 52 -0.176 2.180 8.236 1.00 0.00 C ATOM 788 CD1 ILE A 52 -0.567 5.198 7.300 1.00 0.00 C ATOM 0 H ILE A 52 -3.500 3.310 6.272 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.611 1.459 5.785 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.040 3.207 8.235 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.025 3.581 6.046 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.629 4.109 5.808 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.355 2.960 8.781 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -0.539 1.430 8.938 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.501 1.711 7.522 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.224 5.950 6.589 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.468 5.555 7.800 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.212 5.018 8.041 1.00 0.00 H new ATOM 800 N GLU A 53 -3.155 0.566 8.597 1.00 0.00 N ATOM 801 CA GLU A 53 -3.426 -0.589 9.440 1.00 0.00 C ATOM 802 C GLU A 53 -4.440 -1.514 8.822 1.00 0.00 C ATOM 803 O GLU A 53 -4.277 -2.732 8.859 1.00 0.00 O ATOM 804 CB GLU A 53 -3.854 -0.168 10.813 1.00 0.00 C ATOM 805 CG GLU A 53 -2.665 -0.005 11.712 1.00 0.00 C ATOM 806 CD GLU A 53 -1.996 -1.304 12.042 1.00 0.00 C ATOM 807 OE1 GLU A 53 -2.554 -2.075 12.828 1.00 0.00 O ATOM 808 OE2 GLU A 53 -0.919 -1.563 11.520 1.00 0.00 O ATOM 0 H GLU A 53 -3.589 1.435 8.909 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.492 -1.145 9.529 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.404 0.771 10.756 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.533 -0.911 11.231 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.943 0.657 11.234 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.979 0.480 12.636 1.00 0.00 H new ATOM 815 N HIS A 54 -5.458 -0.934 8.204 1.00 0.00 N ATOM 816 CA HIS A 54 -6.499 -1.678 7.497 1.00 0.00 C ATOM 817 C HIS A 54 -5.852 -2.697 6.570 1.00 0.00 C ATOM 818 O HIS A 54 -6.100 -3.906 6.676 1.00 0.00 O ATOM 819 CB HIS A 54 -7.367 -0.701 6.687 1.00 0.00 C ATOM 820 CG HIS A 54 -8.748 -1.169 6.426 1.00 0.00 C ATOM 821 ND1 HIS A 54 -9.843 -0.331 6.483 1.00 0.00 N ATOM 822 CD2 HIS A 54 -9.227 -2.398 6.122 1.00 0.00 C ATOM 823 CE1 HIS A 54 -10.938 -1.031 6.228 1.00 0.00 C ATOM 824 NE2 HIS A 54 -10.587 -2.288 6.005 1.00 0.00 N ATOM 0 H HIS A 54 -5.589 0.077 8.177 1.00 0.00 H new ATOM 0 HA HIS A 54 -7.130 -2.201 8.216 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -7.415 0.249 7.220 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -6.877 -0.507 5.733 1.00 0.00 H new ATOM 0 HD1 HIS A 54 -9.814 0.668 6.689 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -8.644 -3.299 5.995 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -11.946 -0.643 6.206 1.00 0.00 H new ATOM 833 N ILE A 55 -4.944 -2.209 5.735 1.00 0.00 N ATOM 834 CA ILE A 55 -4.176 -3.054 4.854 1.00 0.00 C ATOM 835 C ILE A 55 -3.261 -3.966 5.685 1.00 0.00 C ATOM 836 O ILE A 55 -3.199 -5.165 5.435 1.00 0.00 O ATOM 837 CB ILE A 55 -3.325 -2.223 3.841 1.00 0.00 C ATOM 838 CG1 ILE A 55 -4.184 -1.181 3.115 1.00 0.00 C ATOM 839 CG2 ILE A 55 -2.668 -3.128 2.825 1.00 0.00 C ATOM 840 CD1 ILE A 55 -3.376 -0.098 2.439 1.00 0.00 C ATOM 0 H ILE A 55 -4.725 -1.216 5.656 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.875 -3.657 4.275 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.555 -1.705 4.413 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -4.798 -1.685 2.368 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.866 -0.721 3.831 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.081 -2.528 2.130 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.015 -3.835 3.336 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.434 -3.674 2.275 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.049 0.604 1.946 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.782 0.431 3.184 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.713 -0.547 1.699 1.00 0.00 H new ATOM 852 N ALA A 56 -2.582 -3.394 6.701 1.00 0.00 N ATOM 853 CA ALA A 56 -1.684 -4.170 7.590 1.00 0.00 C ATOM 854 C ALA A 56 -2.373 -5.424 8.114 1.00 0.00 C ATOM 855 O ALA A 56 -1.845 -6.534 7.983 1.00 0.00 O ATOM 856 CB ALA A 56 -1.190 -3.316 8.765 1.00 0.00 C ATOM 0 H ALA A 56 -2.636 -2.401 6.928 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.823 -4.471 6.993 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -0.534 -3.913 9.398 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.641 -2.455 8.384 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.044 -2.972 9.349 1.00 0.00 H new ATOM 862 N SER A 57 -3.553 -5.246 8.693 1.00 0.00 N ATOM 863 CA SER A 57 -4.335 -6.358 9.238 1.00 0.00 C ATOM 864 C SER A 57 -4.660 -7.394 8.147 1.00 0.00 C ATOM 865 O SER A 57 -4.547 -8.605 8.378 1.00 0.00 O ATOM 866 CB SER A 57 -5.604 -5.833 9.933 1.00 0.00 C ATOM 867 OG SER A 57 -5.399 -4.497 10.464 1.00 0.00 O ATOM 0 H SER A 57 -3.997 -4.334 8.800 1.00 0.00 H new ATOM 0 HA SER A 57 -3.735 -6.869 9.991 1.00 0.00 H new ATOM 0 HB2 SER A 57 -6.432 -5.822 9.224 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.885 -6.509 10.741 1.00 0.00 H new ATOM 0 HG SER A 57 -5.364 -3.853 9.726 1.00 0.00 H new ATOM 873 N PHE A 58 -4.966 -6.912 6.937 1.00 0.00 N ATOM 874 CA PHE A 58 -5.199 -7.793 5.781 1.00 0.00 C ATOM 875 C PHE A 58 -3.881 -8.494 5.379 1.00 0.00 C ATOM 876 O PHE A 58 -3.847 -9.714 5.147 1.00 0.00 O ATOM 877 CB PHE A 58 -5.758 -6.970 4.600 1.00 0.00 C ATOM 878 CG PHE A 58 -6.350 -7.776 3.470 1.00 0.00 C ATOM 879 CD1 PHE A 58 -7.119 -8.906 3.711 1.00 0.00 C ATOM 880 CD2 PHE A 58 -6.140 -7.389 2.160 1.00 0.00 C ATOM 881 CE1 PHE A 58 -7.660 -9.626 2.665 1.00 0.00 C ATOM 882 CE2 PHE A 58 -6.677 -8.103 1.112 1.00 0.00 C ATOM 883 CZ PHE A 58 -7.436 -9.222 1.363 1.00 0.00 C ATOM 0 H PHE A 58 -5.059 -5.917 6.730 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.929 -8.556 6.051 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -6.523 -6.294 4.981 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.956 -6.350 4.200 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.296 -9.225 4.727 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.545 -6.512 1.955 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.257 -10.504 2.864 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -6.502 -7.785 0.095 1.00 0.00 H new ATOM 0 HZ PHE A 58 -7.857 -9.785 0.543 1.00 0.00 H new ATOM 893 N VAL A 59 -2.792 -7.717 5.349 1.00 0.00 N ATOM 894 CA VAL A 59 -1.458 -8.221 5.031 1.00 0.00 C ATOM 895 C VAL A 59 -1.105 -9.388 5.939 1.00 0.00 C ATOM 896 O VAL A 59 -0.588 -10.394 5.461 1.00 0.00 O ATOM 897 CB VAL A 59 -0.368 -7.100 5.147 1.00 0.00 C ATOM 898 CG1 VAL A 59 1.041 -7.653 4.934 1.00 0.00 C ATOM 899 CG2 VAL A 59 -0.648 -5.982 4.154 1.00 0.00 C ATOM 0 H VAL A 59 -2.815 -6.717 5.546 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.475 -8.561 3.996 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.418 -6.700 6.160 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.766 -6.844 5.023 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.251 -8.413 5.687 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.111 -8.097 3.941 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.118 -5.212 4.248 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.637 -6.384 3.141 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -1.626 -5.548 4.361 1.00 0.00 H new ATOM 909 N MET A 60 -1.405 -9.257 7.244 1.00 0.00 N ATOM 910 CA MET A 60 -1.128 -10.324 8.226 1.00 0.00 C ATOM 911 C MET A 60 -1.504 -11.690 7.641 1.00 0.00 C ATOM 912 O MET A 60 -0.677 -12.613 7.617 1.00 0.00 O ATOM 913 CB MET A 60 -1.914 -10.099 9.534 1.00 0.00 C ATOM 914 CG MET A 60 -1.068 -9.889 10.754 1.00 0.00 C ATOM 915 SD MET A 60 -1.846 -8.796 11.955 1.00 0.00 S ATOM 916 CE MET A 60 -1.594 -7.212 11.171 1.00 0.00 C ATOM 0 H MET A 60 -1.839 -8.425 7.644 1.00 0.00 H new ATOM 0 HA MET A 60 -0.062 -10.298 8.451 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.562 -9.232 9.406 1.00 0.00 H new ATOM 0 HB3 MET A 60 -2.562 -10.959 9.703 1.00 0.00 H new ATOM 0 HG2 MET A 60 -0.866 -10.852 11.222 1.00 0.00 H new ATOM 0 HG3 MET A 60 -0.106 -9.471 10.457 1.00 0.00 H new ATOM 0 HE1 MET A 60 -2.406 -6.538 11.443 1.00 0.00 H new ATOM 0 HE2 MET A 60 -0.645 -6.789 11.502 1.00 0.00 H new ATOM 0 HE3 MET A 60 -1.577 -7.340 10.089 1.00 0.00 H new ATOM 926 N SER A 61 -2.740 -11.793 7.139 1.00 0.00 N ATOM 927 CA SER A 61 -3.226 -13.012 6.516 1.00 0.00 C ATOM 928 C SER A 61 -2.628 -13.167 5.117 1.00 0.00 C ATOM 929 O SER A 61 -2.216 -14.267 4.729 1.00 0.00 O ATOM 930 CB SER A 61 -4.762 -13.004 6.449 1.00 0.00 C ATOM 931 OG SER A 61 -5.321 -11.953 7.248 1.00 0.00 O ATOM 0 H SER A 61 -3.421 -11.034 7.157 1.00 0.00 H new ATOM 0 HA SER A 61 -2.913 -13.862 7.122 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.081 -12.883 5.414 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.146 -13.965 6.791 1.00 0.00 H new ATOM 0 HG SER A 61 -6.298 -11.976 7.181 1.00 0.00 H new ATOM 937 N PHE A 62 -2.549 -12.056 4.372 1.00 0.00 N ATOM 938 CA PHE A 62 -1.961 -12.062 3.029 1.00 0.00 C ATOM 939 C PHE A 62 -0.592 -12.760 3.023 1.00 0.00 C ATOM 940 O PHE A 62 -0.366 -13.651 2.221 1.00 0.00 O ATOM 941 CB PHE A 62 -1.837 -10.639 2.472 1.00 0.00 C ATOM 942 CG PHE A 62 -1.891 -10.573 0.975 1.00 0.00 C ATOM 943 CD1 PHE A 62 -3.102 -10.653 0.303 1.00 0.00 C ATOM 944 CD2 PHE A 62 -0.733 -10.428 0.241 1.00 0.00 C ATOM 945 CE1 PHE A 62 -3.150 -10.589 -1.075 1.00 0.00 C ATOM 946 CE2 PHE A 62 -0.771 -10.362 -1.135 1.00 0.00 C ATOM 947 CZ PHE A 62 -1.981 -10.443 -1.798 1.00 0.00 C ATOM 0 H PHE A 62 -2.885 -11.143 4.678 1.00 0.00 H new ATOM 0 HA PHE A 62 -2.634 -12.625 2.382 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -2.639 -10.026 2.883 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -0.897 -10.205 2.813 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -4.018 -10.767 0.864 1.00 0.00 H new ATOM 0 HD2 PHE A 62 0.217 -10.365 0.751 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.099 -10.653 -1.587 1.00 0.00 H new ATOM 0 HE2 PHE A 62 0.145 -10.247 -1.695 1.00 0.00 H new ATOM 0 HZ PHE A 62 -2.013 -10.392 -2.876 1.00 0.00 H new ATOM 957 N LYS A 63 0.296 -12.384 3.964 1.00 0.00 N ATOM 958 CA LYS A 63 1.643 -13.025 4.074 1.00 0.00 C ATOM 959 C LYS A 63 1.541 -14.543 4.329 1.00 0.00 C ATOM 960 O LYS A 63 2.430 -15.301 3.934 1.00 0.00 O ATOM 961 CB LYS A 63 2.559 -12.361 5.155 1.00 0.00 C ATOM 962 CG LYS A 63 2.189 -10.922 5.550 1.00 0.00 C ATOM 963 CD LYS A 63 3.399 -10.003 5.708 1.00 0.00 C ATOM 964 CE LYS A 63 4.267 -10.370 6.913 1.00 0.00 C ATOM 965 NZ LYS A 63 5.501 -9.546 6.993 1.00 0.00 N ATOM 0 H LYS A 63 0.120 -11.653 4.653 1.00 0.00 H new ATOM 0 HA LYS A 63 2.115 -12.863 3.105 1.00 0.00 H new ATOM 0 HB2 LYS A 63 2.539 -12.981 6.052 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.585 -12.365 4.787 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.523 -10.506 4.794 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.633 -10.942 6.488 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.004 -10.048 4.803 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.057 -8.973 5.812 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.688 -10.242 7.827 1.00 0.00 H new ATOM 0 HE3 LYS A 63 4.540 -11.424 6.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 6.190 -10.012 7.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.910 -9.440 6.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.268 -8.608 7.376 1.00 0.00 H new ATOM 979 N ILE A 64 0.439 -14.986 4.953 1.00 0.00 N ATOM 980 CA ILE A 64 0.196 -16.413 5.190 1.00 0.00 C ATOM 981 C ILE A 64 -0.170 -17.077 3.864 1.00 0.00 C ATOM 982 O ILE A 64 0.361 -18.136 3.510 1.00 0.00 O ATOM 983 CB ILE A 64 -0.958 -16.646 6.223 1.00 0.00 C ATOM 984 CG1 ILE A 64 -0.767 -15.787 7.476 1.00 0.00 C ATOM 985 CG2 ILE A 64 -1.053 -18.112 6.612 1.00 0.00 C ATOM 986 CD1 ILE A 64 -1.919 -15.877 8.447 1.00 0.00 C ATOM 0 H ILE A 64 -0.298 -14.373 5.302 1.00 0.00 H new ATOM 0 HA ILE A 64 1.105 -16.849 5.605 1.00 0.00 H new ATOM 0 HB ILE A 64 -1.889 -16.349 5.740 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.149 -16.094 7.981 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.634 -14.747 7.178 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.862 -18.246 7.330 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.253 -18.712 5.724 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.112 -18.431 7.061 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.717 -15.244 9.311 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.834 -15.543 7.958 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.039 -16.910 8.774 1.00 0.00 H new ATOM 998 N LYS A 65 -1.060 -16.422 3.120 1.00 0.00 N ATOM 999 CA LYS A 65 -1.479 -16.895 1.821 1.00 0.00 C ATOM 1000 C LYS A 65 -0.325 -16.816 0.818 1.00 0.00 C ATOM 1001 O LYS A 65 -0.150 -17.713 -0.005 1.00 0.00 O ATOM 1002 CB LYS A 65 -2.652 -16.056 1.321 1.00 0.00 C ATOM 1003 CG LYS A 65 -3.999 -16.481 1.869 1.00 0.00 C ATOM 1004 CD LYS A 65 -4.600 -17.603 1.027 1.00 0.00 C ATOM 1005 CE LYS A 65 -5.234 -18.688 1.896 1.00 0.00 C ATOM 1006 NZ LYS A 65 -4.218 -19.433 2.686 1.00 0.00 N ATOM 0 H LYS A 65 -1.505 -15.551 3.409 1.00 0.00 H new ATOM 0 HA LYS A 65 -1.788 -17.936 1.915 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.477 -15.013 1.586 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -2.683 -16.107 0.233 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.887 -16.815 2.901 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.677 -15.627 1.882 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.352 -17.190 0.355 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.823 -18.045 0.403 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -5.958 -18.234 2.573 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.783 -19.385 1.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -4.608 -20.354 2.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.368 -19.583 2.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -3.966 -18.885 3.533 1.00 0.00 H new ATOM 1020 N TYR A 66 0.392 -15.703 0.845 1.00 0.00 N ATOM 1021 CA TYR A 66 1.486 -15.433 -0.084 1.00 0.00 C ATOM 1022 C TYR A 66 2.837 -15.420 0.644 1.00 0.00 C ATOM 1023 O TYR A 66 3.389 -14.344 0.936 1.00 0.00 O ATOM 1024 CB TYR A 66 1.253 -14.095 -0.806 1.00 0.00 C ATOM 1025 CG TYR A 66 -0.040 -14.037 -1.584 1.00 0.00 C ATOM 1026 CD1 TYR A 66 -1.247 -13.822 -0.938 1.00 0.00 C ATOM 1027 CD2 TYR A 66 -0.057 -14.208 -2.957 1.00 0.00 C ATOM 1028 CE1 TYR A 66 -2.430 -13.781 -1.631 1.00 0.00 C ATOM 1029 CE2 TYR A 66 -1.241 -14.171 -3.660 1.00 0.00 C ATOM 1030 CZ TYR A 66 -2.426 -13.956 -2.988 1.00 0.00 C ATOM 1031 OH TYR A 66 -3.609 -13.930 -3.675 1.00 0.00 O ATOM 0 H TYR A 66 0.232 -14.953 1.517 1.00 0.00 H new ATOM 0 HA TYR A 66 1.509 -16.233 -0.824 1.00 0.00 H new ATOM 0 HB2 TYR A 66 1.260 -13.290 -0.071 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.084 -13.911 -1.487 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.256 -13.684 0.133 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.871 -14.373 -3.485 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.360 -13.611 -1.108 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.241 -14.310 -4.731 1.00 0.00 H new ATOM 0 HH TYR A 66 -4.309 -13.548 -3.106 1.00 0.00 H new ATOM 1041 N PRO A 67 3.383 -16.618 0.990 1.00 0.00 N ATOM 1042 CA PRO A 67 4.652 -16.721 1.706 1.00 0.00 C ATOM 1043 C PRO A 67 5.854 -16.371 0.828 1.00 0.00 C ATOM 1044 O PRO A 67 6.619 -15.454 1.157 1.00 0.00 O ATOM 1045 CB PRO A 67 4.705 -18.178 2.173 1.00 0.00 C ATOM 1046 CG PRO A 67 3.806 -18.921 1.241 1.00 0.00 C ATOM 1047 CD PRO A 67 2.772 -17.946 0.752 1.00 0.00 C ATOM 0 HA PRO A 67 4.704 -16.012 2.532 1.00 0.00 H new ATOM 0 HB2 PRO A 67 5.722 -18.568 2.133 1.00 0.00 H new ATOM 0 HB3 PRO A 67 4.368 -18.273 3.205 1.00 0.00 H new ATOM 0 HG2 PRO A 67 4.373 -19.333 0.406 1.00 0.00 H new ATOM 0 HG3 PRO A 67 3.333 -19.761 1.750 1.00 0.00 H new ATOM 0 HD2 PRO A 67 2.549 -18.098 -0.304 1.00 0.00 H new ATOM 0 HD3 PRO A 67 1.833 -18.055 1.295 1.00 0.00 H new ATOM 1055 N ASP A 68 6.016 -17.073 -0.307 1.00 0.00 N ATOM 1056 CA ASP A 68 7.128 -16.779 -1.222 1.00 0.00 C ATOM 1057 C ASP A 68 6.925 -15.472 -1.955 1.00 0.00 C ATOM 1058 O ASP A 68 7.888 -14.850 -2.424 1.00 0.00 O ATOM 1059 CB ASP A 68 7.414 -17.911 -2.191 1.00 0.00 C ATOM 1060 CG ASP A 68 8.820 -18.375 -2.083 1.00 0.00 C ATOM 1061 OD1 ASP A 68 9.700 -17.800 -2.736 1.00 0.00 O ATOM 1062 OD2 ASP A 68 9.058 -19.318 -1.337 1.00 0.00 O ATOM 0 H ASP A 68 5.404 -17.832 -0.607 1.00 0.00 H new ATOM 0 HA ASP A 68 8.012 -16.676 -0.592 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.739 -18.743 -1.991 1.00 0.00 H new ATOM 0 HB3 ASP A 68 7.216 -17.578 -3.210 1.00 0.00 H new ATOM 1067 N ASP A 69 5.692 -15.027 -2.000 1.00 0.00 N ATOM 1068 CA ASP A 69 5.324 -13.770 -2.543 1.00 0.00 C ATOM 1069 C ASP A 69 5.404 -12.676 -1.466 1.00 0.00 C ATOM 1070 O ASP A 69 4.963 -11.542 -1.691 1.00 0.00 O ATOM 1071 CB ASP A 69 3.902 -13.799 -3.063 1.00 0.00 C ATOM 1072 CG ASP A 69 3.325 -15.155 -3.456 1.00 0.00 C ATOM 1073 OD1 ASP A 69 3.301 -16.086 -2.627 1.00 0.00 O ATOM 1074 OD2 ASP A 69 2.894 -15.288 -4.610 1.00 0.00 O ATOM 0 H ASP A 69 4.899 -15.560 -1.643 1.00 0.00 H new ATOM 0 HA ASP A 69 6.015 -13.556 -3.358 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.255 -13.367 -2.299 1.00 0.00 H new ATOM 0 HB3 ASP A 69 3.848 -13.145 -3.934 1.00 0.00 H new ATOM 1079 N GLY A 70 5.893 -13.055 -0.281 1.00 0.00 N ATOM 1080 CA GLY A 70 5.977 -12.195 0.877 1.00 0.00 C ATOM 1081 C GLY A 70 6.356 -10.775 0.579 1.00 0.00 C ATOM 1082 O GLY A 70 5.791 -9.873 1.191 1.00 0.00 O ATOM 0 H GLY A 70 6.248 -13.996 -0.109 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.013 -12.200 1.386 1.00 0.00 H new ATOM 0 HA3 GLY A 70 6.706 -12.613 1.571 1.00 0.00 H new ATOM 1086 N ASP A 71 7.268 -10.544 -0.395 1.00 0.00 N ATOM 1087 CA ASP A 71 7.658 -9.169 -0.747 1.00 0.00 C ATOM 1088 C ASP A 71 6.464 -8.334 -1.126 1.00 0.00 C ATOM 1089 O ASP A 71 6.410 -7.194 -0.787 1.00 0.00 O ATOM 1090 CB ASP A 71 8.734 -9.080 -1.842 1.00 0.00 C ATOM 1091 CG ASP A 71 9.451 -7.749 -1.818 1.00 0.00 C ATOM 1092 OD1 ASP A 71 9.848 -7.291 -0.731 1.00 0.00 O ATOM 1093 OD2 ASP A 71 9.641 -7.166 -2.880 1.00 0.00 O ATOM 0 H ASP A 71 7.733 -11.274 -0.935 1.00 0.00 H new ATOM 0 HA ASP A 71 8.107 -8.766 0.161 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.457 -9.885 -1.708 1.00 0.00 H new ATOM 0 HB3 ASP A 71 8.272 -9.226 -2.818 1.00 0.00 H new ATOM 1098 N LEU A 72 5.467 -8.933 -1.762 1.00 0.00 N ATOM 1099 CA LEU A 72 4.228 -8.214 -2.086 1.00 0.00 C ATOM 1100 C LEU A 72 3.566 -7.700 -0.815 1.00 0.00 C ATOM 1101 O LEU A 72 3.168 -6.542 -0.730 1.00 0.00 O ATOM 1102 CB LEU A 72 3.243 -9.133 -2.799 1.00 0.00 C ATOM 1103 CG LEU A 72 2.034 -8.430 -3.448 1.00 0.00 C ATOM 1104 CD1 LEU A 72 2.457 -7.505 -4.568 1.00 0.00 C ATOM 1105 CD2 LEU A 72 1.012 -9.432 -3.941 1.00 0.00 C ATOM 0 H LEU A 72 5.484 -9.907 -2.065 1.00 0.00 H new ATOM 0 HA LEU A 72 4.491 -7.379 -2.736 1.00 0.00 H new ATOM 0 HB2 LEU A 72 3.780 -9.683 -3.572 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.874 -9.867 -2.083 1.00 0.00 H new ATOM 0 HG LEU A 72 1.567 -7.822 -2.673 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.576 -7.029 -4.999 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.127 -6.740 -4.175 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.973 -8.078 -5.338 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.173 -8.903 -4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.471 -10.085 -4.683 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.655 -10.030 -3.103 1.00 0.00 H new ATOM 1117 N SER A 73 3.495 -8.568 0.177 1.00 0.00 N ATOM 1118 CA SER A 73 2.898 -8.230 1.467 1.00 0.00 C ATOM 1119 C SER A 73 3.819 -7.269 2.195 1.00 0.00 C ATOM 1120 O SER A 73 3.412 -6.195 2.622 1.00 0.00 O ATOM 1121 CB SER A 73 2.671 -9.509 2.296 1.00 0.00 C ATOM 1122 OG SER A 73 2.260 -10.603 1.459 1.00 0.00 O ATOM 0 H SER A 73 3.846 -9.524 0.118 1.00 0.00 H new ATOM 0 HA SER A 73 1.930 -7.753 1.317 1.00 0.00 H new ATOM 0 HB2 SER A 73 3.589 -9.774 2.821 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.912 -9.323 3.056 1.00 0.00 H new ATOM 0 HG SER A 73 2.817 -11.387 1.649 1.00 0.00 H new ATOM 1128 N GLU A 74 5.071 -7.654 2.253 1.00 0.00 N ATOM 1129 CA GLU A 74 6.140 -6.887 2.828 1.00 0.00 C ATOM 1130 C GLU A 74 6.221 -5.477 2.206 1.00 0.00 C ATOM 1131 O GLU A 74 6.342 -4.492 2.925 1.00 0.00 O ATOM 1132 CB GLU A 74 7.427 -7.660 2.601 1.00 0.00 C ATOM 1133 CG GLU A 74 8.252 -7.833 3.833 1.00 0.00 C ATOM 1134 CD GLU A 74 8.166 -9.232 4.349 1.00 0.00 C ATOM 1135 OE1 GLU A 74 7.177 -9.559 5.013 1.00 0.00 O ATOM 1136 OE2 GLU A 74 9.054 -10.013 4.060 1.00 0.00 O ATOM 0 H GLU A 74 5.382 -8.552 1.883 1.00 0.00 H new ATOM 0 HA GLU A 74 5.966 -6.742 3.894 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.183 -8.643 2.198 1.00 0.00 H new ATOM 0 HB3 GLU A 74 8.021 -7.144 1.847 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.291 -7.586 3.616 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.913 -7.138 4.601 1.00 0.00 H new ATOM 1143 N LEU A 75 6.135 -5.405 0.881 1.00 0.00 N ATOM 1144 CA LEU A 75 6.135 -4.138 0.137 1.00 0.00 C ATOM 1145 C LEU A 75 4.939 -3.319 0.577 1.00 0.00 C ATOM 1146 O LEU A 75 5.064 -2.129 0.884 1.00 0.00 O ATOM 1147 CB LEU A 75 6.047 -4.422 -1.376 1.00 0.00 C ATOM 1148 CG LEU A 75 6.409 -3.292 -2.352 1.00 0.00 C ATOM 1149 CD1 LEU A 75 7.266 -2.232 -1.701 1.00 0.00 C ATOM 1150 CD2 LEU A 75 7.106 -3.865 -3.559 1.00 0.00 C ATOM 0 H LEU A 75 6.063 -6.228 0.283 1.00 0.00 H new ATOM 0 HA LEU A 75 7.055 -3.588 0.337 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.697 -5.270 -1.593 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.027 -4.737 -1.596 1.00 0.00 H new ATOM 0 HG LEU A 75 5.482 -2.809 -2.662 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.497 -1.454 -2.428 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.728 -1.795 -0.860 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.193 -2.682 -1.344 1.00 0.00 H new ATOM 0 HD21 LEU A 75 7.361 -3.060 -4.248 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.016 -4.376 -3.245 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.446 -4.574 -4.058 1.00 0.00 H new ATOM 1162 N VAL A 76 3.779 -3.982 0.682 1.00 0.00 N ATOM 1163 CA VAL A 76 2.595 -3.333 1.205 1.00 0.00 C ATOM 1164 C VAL A 76 2.919 -2.799 2.616 1.00 0.00 C ATOM 1165 O VAL A 76 2.748 -1.609 2.874 1.00 0.00 O ATOM 1166 CB VAL A 76 1.365 -4.298 1.245 1.00 0.00 C ATOM 1167 CG1 VAL A 76 0.172 -3.637 1.902 1.00 0.00 C ATOM 1168 CG2 VAL A 76 0.994 -4.775 -0.162 1.00 0.00 C ATOM 0 H VAL A 76 3.647 -4.957 0.412 1.00 0.00 H new ATOM 0 HA VAL A 76 2.319 -2.511 0.544 1.00 0.00 H new ATOM 0 HB VAL A 76 1.650 -5.165 1.841 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -0.668 -4.332 1.915 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.428 -3.358 2.924 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.105 -2.745 1.340 1.00 0.00 H new ATOM 0 HG21 VAL A 76 0.136 -5.445 -0.105 1.00 0.00 H new ATOM 0 HG22 VAL A 76 0.743 -3.915 -0.783 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.839 -5.305 -0.601 1.00 0.00 H new ATOM 1178 N GLU A 77 3.472 -3.675 3.487 1.00 0.00 N ATOM 1179 CA GLU A 77 3.902 -3.283 4.844 1.00 0.00 C ATOM 1180 C GLU A 77 4.863 -2.090 4.796 1.00 0.00 C ATOM 1181 O GLU A 77 4.674 -1.118 5.547 1.00 0.00 O ATOM 1182 CB GLU A 77 4.528 -4.466 5.597 1.00 0.00 C ATOM 1183 CG GLU A 77 3.609 -5.680 5.705 1.00 0.00 C ATOM 1184 CD GLU A 77 3.666 -6.314 7.046 1.00 0.00 C ATOM 1185 OE1 GLU A 77 2.904 -5.912 7.929 1.00 0.00 O ATOM 1186 OE2 GLU A 77 4.488 -7.204 7.237 1.00 0.00 O ATOM 0 H GLU A 77 3.630 -4.659 3.271 1.00 0.00 H new ATOM 0 HA GLU A 77 3.013 -2.975 5.394 1.00 0.00 H new ATOM 0 HB2 GLU A 77 5.448 -4.761 5.092 1.00 0.00 H new ATOM 0 HB3 GLU A 77 4.806 -4.141 6.600 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.584 -5.377 5.493 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.888 -6.412 4.947 1.00 0.00 H new ATOM 1193 N GLU A 78 5.846 -2.127 3.861 1.00 0.00 N ATOM 1194 CA GLU A 78 6.753 -0.983 3.641 1.00 0.00 C ATOM 1195 C GLU A 78 5.891 0.254 3.432 1.00 0.00 C ATOM 1196 O GLU A 78 5.990 1.230 4.168 1.00 0.00 O ATOM 1197 CB GLU A 78 7.615 -1.171 2.362 1.00 0.00 C ATOM 1198 CG GLU A 78 8.754 -2.174 2.439 1.00 0.00 C ATOM 1199 CD GLU A 78 9.704 -2.003 1.287 1.00 0.00 C ATOM 1200 OE1 GLU A 78 10.406 -0.979 1.244 1.00 0.00 O ATOM 1201 OE2 GLU A 78 9.741 -2.872 0.405 1.00 0.00 O ATOM 0 H GLU A 78 6.026 -2.929 3.256 1.00 0.00 H new ATOM 0 HA GLU A 78 7.417 -0.895 4.501 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.954 -1.471 1.549 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.034 -0.202 2.091 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.291 -2.048 3.379 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.352 -3.187 2.435 1.00 0.00 H new ATOM 1208 N TYR A 79 4.999 0.147 2.436 1.00 0.00 N ATOM 1209 CA TYR A 79 4.044 1.190 2.083 1.00 0.00 C ATOM 1210 C TYR A 79 3.299 1.684 3.310 1.00 0.00 C ATOM 1211 O TYR A 79 3.236 2.888 3.548 1.00 0.00 O ATOM 1212 CB TYR A 79 3.050 0.660 1.038 1.00 0.00 C ATOM 1213 CG TYR A 79 2.591 1.669 0.021 1.00 0.00 C ATOM 1214 CD1 TYR A 79 3.474 2.581 -0.538 1.00 0.00 C ATOM 1215 CD2 TYR A 79 1.274 1.694 -0.393 1.00 0.00 C ATOM 1216 CE1 TYR A 79 3.055 3.486 -1.477 1.00 0.00 C ATOM 1217 CE2 TYR A 79 0.840 2.601 -1.334 1.00 0.00 C ATOM 1218 CZ TYR A 79 1.731 3.494 -1.875 1.00 0.00 C ATOM 1219 OH TYR A 79 1.303 4.390 -2.823 1.00 0.00 O ATOM 0 H TYR A 79 4.926 -0.683 1.848 1.00 0.00 H new ATOM 0 HA TYR A 79 4.595 2.030 1.660 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.511 -0.177 0.513 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.176 0.268 1.558 1.00 0.00 H new ATOM 0 HD1 TYR A 79 4.509 2.578 -0.228 1.00 0.00 H new ATOM 0 HD2 TYR A 79 0.572 0.990 0.029 1.00 0.00 H new ATOM 0 HE1 TYR A 79 3.755 4.189 -1.904 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -0.194 2.610 -1.644 1.00 0.00 H new ATOM 0 HH TYR A 79 1.330 5.297 -2.452 1.00 0.00 H new ATOM 1229 N LEU A 80 2.714 0.762 4.077 1.00 0.00 N ATOM 1230 CA LEU A 80 1.980 1.127 5.306 1.00 0.00 C ATOM 1231 C LEU A 80 2.873 1.967 6.210 1.00 0.00 C ATOM 1232 O LEU A 80 2.519 3.098 6.568 1.00 0.00 O ATOM 1233 CB LEU A 80 1.495 -0.124 6.074 1.00 0.00 C ATOM 1234 CG LEU A 80 0.968 -1.287 5.226 1.00 0.00 C ATOM 1235 CD1 LEU A 80 0.476 -2.414 6.087 1.00 0.00 C ATOM 1236 CD2 LEU A 80 -0.110 -0.822 4.270 1.00 0.00 C ATOM 0 H LEU A 80 2.730 -0.238 3.877 1.00 0.00 H new ATOM 0 HA LEU A 80 1.103 1.703 5.011 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.321 -0.492 6.682 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.706 0.182 6.761 1.00 0.00 H new ATOM 0 HG LEU A 80 1.801 -1.664 4.633 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.109 -3.222 5.454 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.293 -2.781 6.707 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -0.332 -2.058 6.726 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.465 -1.668 3.682 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.941 -0.400 4.836 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.298 -0.062 3.603 1.00 0.00 H new ATOM 1248 N ASP A 81 4.064 1.431 6.505 1.00 0.00 N ATOM 1249 CA ASP A 81 5.078 2.126 7.326 1.00 0.00 C ATOM 1250 C ASP A 81 5.406 3.475 6.740 1.00 0.00 C ATOM 1251 O ASP A 81 5.355 4.496 7.430 1.00 0.00 O ATOM 1252 CB ASP A 81 6.364 1.311 7.387 1.00 0.00 C ATOM 1253 CG ASP A 81 7.376 1.883 8.335 1.00 0.00 C ATOM 1254 OD1 ASP A 81 7.109 1.934 9.542 1.00 0.00 O ATOM 1255 OD2 ASP A 81 8.449 2.284 7.870 1.00 0.00 O ATOM 0 H ASP A 81 4.356 0.508 6.185 1.00 0.00 H new ATOM 0 HA ASP A 81 4.662 2.247 8.326 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.127 0.291 7.689 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.800 1.255 6.389 1.00 0.00 H new ATOM 1260 N ASP A 82 5.799 3.466 5.478 1.00 0.00 N ATOM 1261 CA ASP A 82 6.177 4.696 4.760 1.00 0.00 C ATOM 1262 C ASP A 82 5.048 5.710 4.822 1.00 0.00 C ATOM 1263 O ASP A 82 5.242 6.839 5.295 1.00 0.00 O ATOM 1264 CB ASP A 82 6.547 4.400 3.291 1.00 0.00 C ATOM 1265 CG ASP A 82 7.693 3.433 3.138 1.00 0.00 C ATOM 1266 OD1 ASP A 82 8.556 3.355 4.040 1.00 0.00 O ATOM 1267 OD2 ASP A 82 7.744 2.741 2.125 1.00 0.00 O ATOM 0 H ASP A 82 5.869 2.618 4.915 1.00 0.00 H new ATOM 0 HA ASP A 82 7.057 5.112 5.251 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.673 3.997 2.779 1.00 0.00 H new ATOM 0 HB3 ASP A 82 6.804 5.336 2.795 1.00 0.00 H new ATOM 1272 N THR A 83 3.844 5.277 4.428 1.00 0.00 N ATOM 1273 CA THR A 83 2.649 6.120 4.518 1.00 0.00 C ATOM 1274 C THR A 83 2.498 6.631 5.955 1.00 0.00 C ATOM 1275 O THR A 83 2.331 7.841 6.184 1.00 0.00 O ATOM 1276 CB THR A 83 1.378 5.336 4.100 1.00 0.00 C ATOM 1277 OG1 THR A 83 1.576 4.613 2.890 1.00 0.00 O ATOM 1278 CG2 THR A 83 0.160 6.211 3.907 1.00 0.00 C ATOM 0 H THR A 83 3.673 4.348 4.044 1.00 0.00 H new ATOM 0 HA THR A 83 2.764 6.962 3.835 1.00 0.00 H new ATOM 0 HB THR A 83 1.198 4.657 4.934 1.00 0.00 H new ATOM 0 HG1 THR A 83 1.985 3.745 3.091 1.00 0.00 H new ATOM 0 HG21 THR A 83 -0.689 5.593 3.616 1.00 0.00 H new ATOM 0 HG22 THR A 83 -0.069 6.726 4.840 1.00 0.00 H new ATOM 0 HG23 THR A 83 0.359 6.945 3.126 1.00 0.00 H new ATOM 1286 N TYR A 84 2.592 5.704 6.923 1.00 0.00 N ATOM 1287 CA TYR A 84 2.498 6.041 8.328 1.00 0.00 C ATOM 1288 C TYR A 84 3.532 7.105 8.682 1.00 0.00 C ATOM 1289 O TYR A 84 3.168 8.187 9.122 1.00 0.00 O ATOM 1290 CB TYR A 84 2.669 4.778 9.216 1.00 0.00 C ATOM 1291 CG TYR A 84 2.944 5.085 10.669 1.00 0.00 C ATOM 1292 CD1 TYR A 84 1.909 5.249 11.573 1.00 0.00 C ATOM 1293 CD2 TYR A 84 4.245 5.234 11.125 1.00 0.00 C ATOM 1294 CE1 TYR A 84 2.161 5.554 12.893 1.00 0.00 C ATOM 1295 CE2 TYR A 84 4.507 5.534 12.436 1.00 0.00 C ATOM 1296 CZ TYR A 84 3.461 5.695 13.319 1.00 0.00 C ATOM 1297 OH TYR A 84 3.719 6.004 14.633 1.00 0.00 O ATOM 0 H TYR A 84 2.734 4.710 6.742 1.00 0.00 H new ATOM 0 HA TYR A 84 1.505 6.446 8.522 1.00 0.00 H new ATOM 0 HB2 TYR A 84 1.765 4.172 9.147 1.00 0.00 H new ATOM 0 HB3 TYR A 84 3.487 4.176 8.821 1.00 0.00 H new ATOM 0 HD1 TYR A 84 0.888 5.136 11.239 1.00 0.00 H new ATOM 0 HD2 TYR A 84 5.066 5.111 10.435 1.00 0.00 H new ATOM 0 HE1 TYR A 84 1.344 5.681 13.588 1.00 0.00 H new ATOM 0 HE2 TYR A 84 5.526 5.644 12.775 1.00 0.00 H new ATOM 0 HH TYR A 84 4.687 6.067 14.770 1.00 0.00 H new ATOM 1307 N THR A 85 4.806 6.792 8.483 1.00 0.00 N ATOM 1308 CA THR A 85 5.905 7.720 8.783 1.00 0.00 C ATOM 1309 C THR A 85 5.650 9.102 8.142 1.00 0.00 C ATOM 1310 O THR A 85 5.792 10.145 8.806 1.00 0.00 O ATOM 1311 CB THR A 85 7.254 7.117 8.328 1.00 0.00 C ATOM 1312 OG1 THR A 85 7.335 5.737 8.693 1.00 0.00 O ATOM 1313 CG2 THR A 85 8.465 7.805 8.931 1.00 0.00 C ATOM 0 H THR A 85 5.113 5.893 8.111 1.00 0.00 H new ATOM 0 HA THR A 85 5.953 7.870 9.862 1.00 0.00 H new ATOM 0 HB THR A 85 7.274 7.256 7.247 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.908 5.190 8.001 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.374 7.327 8.566 1.00 0.00 H new ATOM 0 HG22 THR A 85 8.467 8.856 8.644 1.00 0.00 H new ATOM 0 HG23 THR A 85 8.425 7.726 10.017 1.00 0.00 H new ATOM 1321 N LEU A 86 5.211 9.097 6.882 1.00 0.00 N ATOM 1322 CA LEU A 86 4.867 10.328 6.165 1.00 0.00 C ATOM 1323 C LEU A 86 3.807 11.111 6.920 1.00 0.00 C ATOM 1324 O LEU A 86 4.059 12.209 7.392 1.00 0.00 O ATOM 1325 CB LEU A 86 4.313 9.986 4.784 1.00 0.00 C ATOM 1326 CG LEU A 86 5.209 10.254 3.559 1.00 0.00 C ATOM 1327 CD1 LEU A 86 6.679 10.381 3.927 1.00 0.00 C ATOM 1328 CD2 LEU A 86 5.016 9.173 2.512 1.00 0.00 C ATOM 0 H LEU A 86 5.084 8.247 6.333 1.00 0.00 H new ATOM 0 HA LEU A 86 5.772 10.929 6.075 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.052 8.928 4.782 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.386 10.544 4.648 1.00 0.00 H new ATOM 0 HG LEU A 86 4.900 11.214 3.144 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.264 10.569 3.027 1.00 0.00 H new ATOM 0 HD12 LEU A 86 6.809 11.209 4.624 1.00 0.00 H new ATOM 0 HD13 LEU A 86 7.018 9.456 4.394 1.00 0.00 H new ATOM 0 HD21 LEU A 86 5.656 9.379 1.654 1.00 0.00 H new ATOM 0 HD22 LEU A 86 5.278 8.204 2.937 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.974 9.159 2.192 1.00 0.00 H new ATOM 1340 N PHE A 87 2.602 10.543 6.975 1.00 0.00 N ATOM 1341 CA PHE A 87 1.445 11.204 7.593 1.00 0.00 C ATOM 1342 C PHE A 87 1.569 11.372 9.096 1.00 0.00 C ATOM 1343 O PHE A 87 0.885 12.218 9.685 1.00 0.00 O ATOM 1344 CB PHE A 87 0.153 10.513 7.185 1.00 0.00 C ATOM 1345 CG PHE A 87 -0.054 10.620 5.703 1.00 0.00 C ATOM 1346 CD1 PHE A 87 -0.338 11.842 5.125 1.00 0.00 C ATOM 1347 CD2 PHE A 87 0.101 9.520 4.885 1.00 0.00 C ATOM 1348 CE1 PHE A 87 -0.475 11.962 3.766 1.00 0.00 C ATOM 1349 CE2 PHE A 87 -0.025 9.636 3.515 1.00 0.00 C ATOM 1350 CZ PHE A 87 -0.314 10.857 2.957 1.00 0.00 C ATOM 0 H PHE A 87 2.398 9.618 6.596 1.00 0.00 H new ATOM 0 HA PHE A 87 1.419 12.223 7.206 1.00 0.00 H new ATOM 0 HB2 PHE A 87 0.186 9.464 7.479 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -0.689 10.964 7.709 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -0.454 12.714 5.752 1.00 0.00 H new ATOM 0 HD2 PHE A 87 0.323 8.557 5.321 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -0.709 12.922 3.329 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.103 8.769 2.884 1.00 0.00 H new ATOM 0 HZ PHE A 87 -0.415 10.952 1.886 1.00 0.00 H new ATOM 1360 N SER A 88 2.476 10.629 9.707 1.00 0.00 N ATOM 1361 CA SER A 88 2.767 10.783 11.114 1.00 0.00 C ATOM 1362 C SER A 88 3.560 12.083 11.340 1.00 0.00 C ATOM 1363 O SER A 88 3.444 12.724 12.401 1.00 0.00 O ATOM 1364 CB SER A 88 3.573 9.605 11.596 1.00 0.00 C ATOM 1365 OG SER A 88 2.777 8.430 11.665 1.00 0.00 O ATOM 0 H SER A 88 3.026 9.907 9.241 1.00 0.00 H new ATOM 0 HA SER A 88 1.832 10.832 11.672 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.415 9.438 10.924 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.989 9.824 12.580 1.00 0.00 H new ATOM 0 HG SER A 88 2.478 8.184 10.765 1.00 0.00 H new ATOM 1371 N SER A 89 4.336 12.485 10.330 1.00 0.00 N ATOM 1372 CA SER A 89 5.105 13.708 10.382 1.00 0.00 C ATOM 1373 C SER A 89 4.246 14.865 9.872 1.00 0.00 C ATOM 1374 O SER A 89 3.726 14.804 8.754 1.00 0.00 O ATOM 1375 CB SER A 89 6.377 13.570 9.521 1.00 0.00 C ATOM 1376 OG SER A 89 7.026 12.297 9.735 1.00 0.00 O ATOM 0 H SER A 89 4.441 11.965 9.459 1.00 0.00 H new ATOM 0 HA SER A 89 5.404 13.906 11.411 1.00 0.00 H new ATOM 0 HB2 SER A 89 6.118 13.675 8.468 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.069 14.377 9.761 1.00 0.00 H new ATOM 0 HG SER A 89 6.493 11.585 9.323 1.00 0.00 H new ATOM 1382 N TYR A 90 4.095 15.918 10.688 1.00 0.00 N ATOM 1383 CA TYR A 90 3.298 17.095 10.289 1.00 0.00 C ATOM 1384 C TYR A 90 3.756 17.620 8.927 1.00 0.00 C ATOM 1385 O TYR A 90 2.944 17.974 8.092 1.00 0.00 O ATOM 1386 CB TYR A 90 3.374 18.206 11.345 1.00 0.00 C ATOM 1387 CG TYR A 90 2.029 18.710 11.799 1.00 0.00 C ATOM 1388 CD1 TYR A 90 1.247 19.501 10.971 1.00 0.00 C ATOM 1389 CD2 TYR A 90 1.540 18.398 13.059 1.00 0.00 C ATOM 1390 CE1 TYR A 90 0.024 19.969 11.381 1.00 0.00 C ATOM 1391 CE2 TYR A 90 0.314 18.860 13.481 1.00 0.00 C ATOM 1392 CZ TYR A 90 -0.442 19.648 12.636 1.00 0.00 C ATOM 1393 OH TYR A 90 -1.669 20.117 13.038 1.00 0.00 O ATOM 0 H TYR A 90 4.508 15.983 11.619 1.00 0.00 H new ATOM 0 HA TYR A 90 2.258 16.779 10.209 1.00 0.00 H new ATOM 0 HB2 TYR A 90 3.923 17.834 12.210 1.00 0.00 H new ATOM 0 HB3 TYR A 90 3.946 19.041 10.939 1.00 0.00 H new ATOM 0 HD1 TYR A 90 1.607 19.754 9.985 1.00 0.00 H new ATOM 0 HD2 TYR A 90 2.131 17.782 13.720 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -0.570 20.586 10.723 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -0.054 18.608 14.465 1.00 0.00 H new ATOM 0 HH TYR A 90 -1.857 19.804 13.947 1.00 0.00 H new ATOM 1403 N GLY A 91 5.060 17.609 8.690 1.00 0.00 N ATOM 1404 CA GLY A 91 5.578 17.997 7.396 1.00 0.00 C ATOM 1405 C GLY A 91 6.134 16.795 6.683 1.00 0.00 C ATOM 1406 O GLY A 91 6.842 15.983 7.304 1.00 0.00 O ATOM 0 H GLY A 91 5.768 17.338 9.372 1.00 0.00 H new ATOM 0 HA2 GLY A 91 4.786 18.450 6.799 1.00 0.00 H new ATOM 0 HA3 GLY A 91 6.356 18.750 7.518 1.00 0.00 H new ATOM 1410 N ILE A 92 5.789 16.631 5.411 1.00 0.00 N ATOM 1411 CA ILE A 92 6.226 15.460 4.657 1.00 0.00 C ATOM 1412 C ILE A 92 7.745 15.416 4.492 1.00 0.00 C ATOM 1413 O ILE A 92 8.364 16.377 4.003 1.00 0.00 O ATOM 1414 CB ILE A 92 5.534 15.338 3.277 1.00 0.00 C ATOM 1415 CG1 ILE A 92 4.023 15.500 3.423 1.00 0.00 C ATOM 1416 CG2 ILE A 92 5.841 13.980 2.654 1.00 0.00 C ATOM 1417 CD1 ILE A 92 3.393 14.558 4.434 1.00 0.00 C ATOM 0 H ILE A 92 5.213 17.287 4.883 1.00 0.00 H new ATOM 0 HA ILE A 92 5.920 14.601 5.254 1.00 0.00 H new ATOM 0 HB ILE A 92 5.916 16.127 2.630 1.00 0.00 H new ATOM 0 HG12 ILE A 92 3.805 16.527 3.715 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.556 15.339 2.452 1.00 0.00 H new ATOM 0 HG21 ILE A 92 5.349 13.905 1.684 1.00 0.00 H new ATOM 0 HG22 ILE A 92 6.918 13.874 2.524 1.00 0.00 H new ATOM 0 HG23 ILE A 92 5.475 13.189 3.308 1.00 0.00 H new ATOM 0 HD11 ILE A 92 2.319 14.737 4.478 1.00 0.00 H new ATOM 0 HD12 ILE A 92 3.577 13.526 4.134 1.00 0.00 H new ATOM 0 HD13 ILE A 92 3.830 14.734 5.417 1.00 0.00 H new ATOM 1429 N ASN A 93 8.334 14.292 4.878 1.00 0.00 N ATOM 1430 CA ASN A 93 9.780 14.093 4.779 1.00 0.00 C ATOM 1431 C ASN A 93 10.133 13.550 3.407 1.00 0.00 C ATOM 1432 O ASN A 93 9.670 12.461 3.030 1.00 0.00 O ATOM 1433 CB ASN A 93 10.288 13.136 5.877 1.00 0.00 C ATOM 1434 CG ASN A 93 9.674 13.425 7.239 1.00 0.00 C ATOM 1435 OD1 ASN A 93 9.758 14.547 7.742 1.00 0.00 O ATOM 1436 ND2 ASN A 93 9.069 12.427 7.845 1.00 0.00 N ATOM 0 H ASN A 93 7.830 13.495 5.267 1.00 0.00 H new ATOM 0 HA ASN A 93 10.268 15.057 4.922 1.00 0.00 H new ATOM 0 HB2 ASN A 93 10.061 12.109 5.591 1.00 0.00 H new ATOM 0 HB3 ASN A 93 11.373 13.215 5.948 1.00 0.00 H new ATOM 0 HD21 ASN A 93 8.649 12.568 8.764 1.00 0.00 H new ATOM 0 HD22 ASN A 93 9.020 11.512 7.396 1.00 0.00 H new ATOM 1443 N ASP A 94 10.904 14.336 2.633 1.00 0.00 N ATOM 1444 CA ASP A 94 11.290 13.972 1.242 1.00 0.00 C ATOM 1445 C ASP A 94 11.736 12.512 1.118 1.00 0.00 C ATOM 1446 O ASP A 94 11.177 11.774 0.312 1.00 0.00 O ATOM 1447 CB ASP A 94 12.395 14.896 0.675 1.00 0.00 C ATOM 1448 CG ASP A 94 12.046 16.352 0.698 1.00 0.00 C ATOM 1449 OD1 ASP A 94 10.949 16.718 0.269 1.00 0.00 O ATOM 1450 OD2 ASP A 94 12.874 17.138 1.157 1.00 0.00 O ATOM 0 H ASP A 94 11.277 15.233 2.943 1.00 0.00 H new ATOM 0 HA ASP A 94 10.385 14.108 0.651 1.00 0.00 H new ATOM 0 HB2 ASP A 94 13.310 14.744 1.247 1.00 0.00 H new ATOM 0 HB3 ASP A 94 12.609 14.601 -0.352 1.00 0.00 H new ATOM 1455 N PRO A 95 12.784 12.075 1.894 1.00 0.00 N ATOM 1456 CA PRO A 95 13.296 10.696 1.828 1.00 0.00 C ATOM 1457 C PRO A 95 12.180 9.666 1.981 1.00 0.00 C ATOM 1458 O PRO A 95 11.939 8.878 1.067 1.00 0.00 O ATOM 1459 CB PRO A 95 14.297 10.596 2.995 1.00 0.00 C ATOM 1460 CG PRO A 95 14.159 11.867 3.772 1.00 0.00 C ATOM 1461 CD PRO A 95 13.552 12.886 2.855 1.00 0.00 C ATOM 0 HA PRO A 95 13.755 10.485 0.862 1.00 0.00 H new ATOM 0 HB2 PRO A 95 14.080 9.731 3.622 1.00 0.00 H new ATOM 0 HB3 PRO A 95 15.315 10.474 2.625 1.00 0.00 H new ATOM 0 HG2 PRO A 95 13.529 11.715 4.649 1.00 0.00 H new ATOM 0 HG3 PRO A 95 15.131 12.205 4.132 1.00 0.00 H new ATOM 0 HD2 PRO A 95 12.910 13.580 3.397 1.00 0.00 H new ATOM 0 HD3 PRO A 95 14.316 13.482 2.356 1.00 0.00 H new ATOM 1469 N GLU A 96 11.465 9.714 3.116 1.00 0.00 N ATOM 1470 CA GLU A 96 10.342 8.827 3.355 1.00 0.00 C ATOM 1471 C GLU A 96 9.324 8.927 2.216 1.00 0.00 C ATOM 1472 O GLU A 96 8.817 7.911 1.740 1.00 0.00 O ATOM 1473 CB GLU A 96 9.682 9.163 4.690 1.00 0.00 C ATOM 1474 CG GLU A 96 10.513 8.771 5.904 1.00 0.00 C ATOM 1475 CD GLU A 96 11.175 9.935 6.554 1.00 0.00 C ATOM 1476 OE1 GLU A 96 12.037 10.558 5.919 1.00 0.00 O ATOM 1477 OE2 GLU A 96 10.867 10.212 7.705 1.00 0.00 O ATOM 0 H GLU A 96 11.655 10.364 3.879 1.00 0.00 H new ATOM 0 HA GLU A 96 10.711 7.802 3.394 1.00 0.00 H new ATOM 0 HB2 GLU A 96 9.485 10.234 4.727 1.00 0.00 H new ATOM 0 HB3 GLU A 96 8.717 8.659 4.744 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.872 8.272 6.631 1.00 0.00 H new ATOM 0 HG3 GLU A 96 11.272 8.050 5.601 1.00 0.00 H new ATOM 1484 N LEU A 97 9.053 10.155 1.758 1.00 0.00 N ATOM 1485 CA LEU A 97 8.127 10.357 0.646 1.00 0.00 C ATOM 1486 C LEU A 97 8.646 9.656 -0.601 1.00 0.00 C ATOM 1487 O LEU A 97 7.926 8.872 -1.218 1.00 0.00 O ATOM 1488 CB LEU A 97 7.894 11.847 0.369 1.00 0.00 C ATOM 1489 CG LEU A 97 7.143 12.175 -0.931 1.00 0.00 C ATOM 1490 CD1 LEU A 97 5.678 11.783 -0.838 1.00 0.00 C ATOM 1491 CD2 LEU A 97 7.279 13.637 -1.266 1.00 0.00 C ATOM 0 H LEU A 97 9.458 11.011 2.137 1.00 0.00 H new ATOM 0 HA LEU A 97 7.167 9.922 0.925 1.00 0.00 H new ATOM 0 HB2 LEU A 97 7.337 12.270 1.205 1.00 0.00 H new ATOM 0 HB3 LEU A 97 8.861 12.348 0.344 1.00 0.00 H new ATOM 0 HG LEU A 97 7.594 11.590 -1.733 1.00 0.00 H new ATOM 0 HD11 LEU A 97 5.176 12.028 -1.774 1.00 0.00 H new ATOM 0 HD12 LEU A 97 5.599 10.712 -0.654 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.207 12.327 -0.020 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.741 13.850 -2.190 1.00 0.00 H new ATOM 0 HD22 LEU A 97 6.862 14.236 -0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 97 8.333 13.884 -1.395 1.00 0.00 H new ATOM 1503 N GLN A 98 9.897 9.929 -0.971 1.00 0.00 N ATOM 1504 CA GLN A 98 10.492 9.293 -2.136 1.00 0.00 C ATOM 1505 C GLN A 98 10.535 7.783 -1.947 1.00 0.00 C ATOM 1506 O GLN A 98 10.123 7.041 -2.837 1.00 0.00 O ATOM 1507 CB GLN A 98 11.864 9.881 -2.456 1.00 0.00 C ATOM 1508 CG GLN A 98 11.809 11.371 -2.775 1.00 0.00 C ATOM 1509 CD GLN A 98 10.649 11.731 -3.653 1.00 0.00 C ATOM 1510 OE1 GLN A 98 10.523 11.231 -4.770 1.00 0.00 O ATOM 1511 NE2 GLN A 98 9.798 12.564 -3.172 1.00 0.00 N ATOM 0 H GLN A 98 10.510 10.581 -0.483 1.00 0.00 H new ATOM 0 HA GLN A 98 9.864 9.498 -3.003 1.00 0.00 H new ATOM 0 HB2 GLN A 98 12.530 9.720 -1.608 1.00 0.00 H new ATOM 0 HB3 GLN A 98 12.294 9.348 -3.304 1.00 0.00 H new ATOM 0 HG2 GLN A 98 11.745 11.936 -1.845 1.00 0.00 H new ATOM 0 HG3 GLN A 98 12.736 11.668 -3.265 1.00 0.00 H new ATOM 0 HE21 GLN A 98 9.939 12.956 -2.241 1.00 0.00 H new ATOM 0 HE22 GLN A 98 8.982 12.833 -3.721 1.00 0.00 H new ATOM 1520 N ARG A 99 10.910 7.336 -0.738 1.00 0.00 N ATOM 1521 CA ARG A 99 10.841 5.923 -0.378 1.00 0.00 C ATOM 1522 C ARG A 99 9.443 5.395 -0.689 1.00 0.00 C ATOM 1523 O ARG A 99 9.295 4.450 -1.456 1.00 0.00 O ATOM 1524 CB ARG A 99 11.095 5.752 1.113 1.00 0.00 C ATOM 1525 CG ARG A 99 12.558 5.688 1.508 1.00 0.00 C ATOM 1526 CD ARG A 99 13.180 4.282 1.378 1.00 0.00 C ATOM 1527 NE ARG A 99 12.212 3.140 1.235 1.00 0.00 N ATOM 1528 CZ ARG A 99 11.197 2.845 2.095 1.00 0.00 C ATOM 1529 NH1 ARG A 99 11.014 3.591 3.185 1.00 0.00 N ATOM 1530 NH2 ARG A 99 10.408 1.789 1.883 1.00 0.00 N ATOM 0 H ARG A 99 11.264 7.940 0.004 1.00 0.00 H new ATOM 0 HA ARG A 99 11.594 5.376 -0.946 1.00 0.00 H new ATOM 0 HB2 ARG A 99 10.626 6.580 1.644 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.603 4.839 1.448 1.00 0.00 H new ATOM 0 HG2 ARG A 99 13.123 6.383 0.887 1.00 0.00 H new ATOM 0 HG3 ARG A 99 12.661 6.026 2.539 1.00 0.00 H new ATOM 0 HD2 ARG A 99 13.844 4.279 0.513 1.00 0.00 H new ATOM 0 HD3 ARG A 99 13.799 4.099 2.256 1.00 0.00 H new ATOM 0 HE ARG A 99 12.325 2.533 0.423 1.00 0.00 H new ATOM 0 HH11 ARG A 99 11.633 4.380 3.373 1.00 0.00 H new ATOM 0 HH12 ARG A 99 10.255 3.373 3.831 1.00 0.00 H new ATOM 0 HH21 ARG A 99 10.562 1.193 1.070 1.00 0.00 H new ATOM 0 HH22 ARG A 99 9.652 1.579 2.534 1.00 0.00 H new ATOM 1544 N TRP A 100 8.422 6.089 -0.145 1.00 0.00 N ATOM 1545 CA TRP A 100 7.000 5.775 -0.384 1.00 0.00 C ATOM 1546 C TRP A 100 6.758 5.622 -1.877 1.00 0.00 C ATOM 1547 O TRP A 100 6.156 4.635 -2.327 1.00 0.00 O ATOM 1548 CB TRP A 100 6.122 6.919 0.169 1.00 0.00 C ATOM 1549 CG TRP A 100 4.662 6.609 0.287 1.00 0.00 C ATOM 1550 CD1 TRP A 100 4.077 5.830 1.222 1.00 0.00 C ATOM 1551 CD2 TRP A 100 3.603 7.097 -0.552 1.00 0.00 C ATOM 1552 NE1 TRP A 100 2.725 5.801 1.029 1.00 0.00 N ATOM 1553 CE2 TRP A 100 2.403 6.564 -0.051 1.00 0.00 C ATOM 1554 CE3 TRP A 100 3.553 7.931 -1.672 1.00 0.00 C ATOM 1555 CZ2 TRP A 100 1.165 6.836 -0.629 1.00 0.00 C ATOM 1556 CZ3 TRP A 100 2.323 8.200 -2.248 1.00 0.00 C ATOM 1557 CH2 TRP A 100 1.145 7.654 -1.725 1.00 0.00 C ATOM 0 H TRP A 100 8.563 6.887 0.475 1.00 0.00 H new ATOM 0 HA TRP A 100 6.742 4.844 0.121 1.00 0.00 H new ATOM 0 HB2 TRP A 100 6.497 7.199 1.153 1.00 0.00 H new ATOM 0 HB3 TRP A 100 6.240 7.789 -0.476 1.00 0.00 H new ATOM 0 HD1 TRP A 100 4.601 5.306 2.008 1.00 0.00 H new ATOM 0 HE1 TRP A 100 2.059 5.287 1.606 1.00 0.00 H new ATOM 0 HE3 TRP A 100 4.457 8.358 -2.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 0.255 6.417 -0.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 2.272 8.842 -3.115 1.00 0.00 H new ATOM 0 HH2 TRP A 100 0.201 7.883 -2.197 1.00 0.00 H new ATOM 1568 N GLN A 101 7.281 6.581 -2.645 1.00 0.00 N ATOM 1569 CA GLN A 101 7.187 6.554 -4.095 1.00 0.00 C ATOM 1570 C GLN A 101 7.834 5.277 -4.642 1.00 0.00 C ATOM 1571 O GLN A 101 7.182 4.500 -5.337 1.00 0.00 O ATOM 1572 CB GLN A 101 7.823 7.811 -4.705 1.00 0.00 C ATOM 1573 CG GLN A 101 7.377 9.094 -4.022 1.00 0.00 C ATOM 1574 CD GLN A 101 6.402 9.896 -4.838 1.00 0.00 C ATOM 1575 OE1 GLN A 101 5.866 9.424 -5.844 1.00 0.00 O ATOM 1576 NE2 GLN A 101 6.148 11.087 -4.412 1.00 0.00 N ATOM 0 H GLN A 101 7.778 7.391 -2.275 1.00 0.00 H new ATOM 0 HA GLN A 101 6.135 6.549 -4.379 1.00 0.00 H new ATOM 0 HB2 GLN A 101 8.908 7.730 -4.641 1.00 0.00 H new ATOM 0 HB3 GLN A 101 7.569 7.862 -5.764 1.00 0.00 H new ATOM 0 HG2 GLN A 101 6.921 8.847 -3.063 1.00 0.00 H new ATOM 0 HG3 GLN A 101 8.253 9.707 -3.810 1.00 0.00 H new ATOM 0 HE21 GLN A 101 6.613 11.439 -3.575 1.00 0.00 H new ATOM 0 HE22 GLN A 101 5.482 11.676 -4.912 1.00 0.00 H new ATOM 1585 N LYS A 102 9.079 5.021 -4.253 1.00 0.00 N ATOM 1586 CA LYS A 102 9.766 3.782 -4.651 1.00 0.00 C ATOM 1587 C LYS A 102 8.932 2.555 -4.246 1.00 0.00 C ATOM 1588 O LYS A 102 8.733 1.634 -5.036 1.00 0.00 O ATOM 1589 CB LYS A 102 11.156 3.701 -4.016 1.00 0.00 C ATOM 1590 CG LYS A 102 12.063 4.872 -4.361 1.00 0.00 C ATOM 1591 CD LYS A 102 13.117 5.088 -3.308 1.00 0.00 C ATOM 1592 CE LYS A 102 14.515 4.859 -3.873 1.00 0.00 C ATOM 1593 NZ LYS A 102 15.573 5.401 -2.991 1.00 0.00 N ATOM 0 H LYS A 102 9.635 5.644 -3.668 1.00 0.00 H new ATOM 0 HA LYS A 102 9.881 3.792 -5.735 1.00 0.00 H new ATOM 0 HB2 LYS A 102 11.047 3.646 -2.933 1.00 0.00 H new ATOM 0 HB3 LYS A 102 11.637 2.776 -4.335 1.00 0.00 H new ATOM 0 HG2 LYS A 102 12.542 4.691 -5.323 1.00 0.00 H new ATOM 0 HG3 LYS A 102 11.465 5.777 -4.468 1.00 0.00 H new ATOM 0 HD2 LYS A 102 13.042 6.103 -2.917 1.00 0.00 H new ATOM 0 HD3 LYS A 102 12.944 4.410 -2.472 1.00 0.00 H new ATOM 0 HE2 LYS A 102 14.676 3.790 -4.016 1.00 0.00 H new ATOM 0 HE3 LYS A 102 14.589 5.327 -4.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 16.505 5.222 -3.416 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 15.437 6.425 -2.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 15.522 4.937 -2.062 1.00 0.00 H new ATOM 1607 N THR A 103 8.430 2.568 -3.022 1.00 0.00 N ATOM 1608 CA THR A 103 7.604 1.489 -2.509 1.00 0.00 C ATOM 1609 C THR A 103 6.358 1.275 -3.409 1.00 0.00 C ATOM 1610 O THR A 103 6.061 0.132 -3.806 1.00 0.00 O ATOM 1611 CB THR A 103 7.209 1.787 -1.048 1.00 0.00 C ATOM 1612 OG1 THR A 103 8.347 2.210 -0.301 1.00 0.00 O ATOM 1613 CG2 THR A 103 6.609 0.612 -0.317 1.00 0.00 C ATOM 0 H THR A 103 8.584 3.326 -2.357 1.00 0.00 H new ATOM 0 HA THR A 103 8.174 0.560 -2.525 1.00 0.00 H new ATOM 0 HB THR A 103 6.451 2.567 -1.119 1.00 0.00 H new ATOM 0 HG1 THR A 103 8.141 2.176 0.656 1.00 0.00 H new ATOM 0 HG21 THR A 103 6.360 0.906 0.702 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.705 0.286 -0.832 1.00 0.00 H new ATOM 0 HG23 THR A 103 7.328 -0.207 -0.293 1.00 0.00 H new ATOM 1621 N LYS A 104 5.642 2.373 -3.754 1.00 0.00 N ATOM 1622 CA LYS A 104 4.464 2.251 -4.626 1.00 0.00 C ATOM 1623 C LYS A 104 4.838 1.676 -5.987 1.00 0.00 C ATOM 1624 O LYS A 104 4.258 0.659 -6.406 1.00 0.00 O ATOM 1625 CB LYS A 104 3.660 3.577 -4.786 1.00 0.00 C ATOM 1626 CG LYS A 104 4.487 4.823 -5.096 1.00 0.00 C ATOM 1627 CD LYS A 104 3.618 6.055 -5.352 1.00 0.00 C ATOM 1628 CE LYS A 104 4.242 6.991 -6.408 1.00 0.00 C ATOM 1629 NZ LYS A 104 4.410 6.347 -7.742 1.00 0.00 N ATOM 0 H LYS A 104 5.856 3.323 -3.449 1.00 0.00 H new ATOM 0 HA LYS A 104 3.798 1.552 -4.120 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.928 3.442 -5.583 1.00 0.00 H new ATOM 0 HB3 LYS A 104 3.101 3.754 -3.867 1.00 0.00 H new ATOM 0 HG2 LYS A 104 5.161 5.024 -4.263 1.00 0.00 H new ATOM 0 HG3 LYS A 104 5.109 4.634 -5.971 1.00 0.00 H new ATOM 0 HD2 LYS A 104 2.630 5.739 -5.686 1.00 0.00 H new ATOM 0 HD3 LYS A 104 3.480 6.602 -4.419 1.00 0.00 H new ATOM 0 HE2 LYS A 104 3.614 7.875 -6.516 1.00 0.00 H new ATOM 0 HE3 LYS A 104 5.214 7.332 -6.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 4.880 7.010 -8.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 4.991 5.490 -7.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 3.477 6.091 -8.124 1.00 0.00 H new ATOM 1643 N GLU A 105 5.834 2.295 -6.668 1.00 0.00 N ATOM 1644 CA GLU A 105 6.272 1.802 -7.987 1.00 0.00 C ATOM 1645 C GLU A 105 6.586 0.310 -7.921 1.00 0.00 C ATOM 1646 O GLU A 105 6.030 -0.475 -8.697 1.00 0.00 O ATOM 1647 CB GLU A 105 7.471 2.611 -8.567 1.00 0.00 C ATOM 1648 CG GLU A 105 8.644 2.797 -7.613 1.00 0.00 C ATOM 1649 CD GLU A 105 9.794 3.532 -8.217 1.00 0.00 C ATOM 1650 OE1 GLU A 105 10.556 2.919 -8.962 1.00 0.00 O ATOM 1651 OE2 GLU A 105 9.952 4.712 -7.940 1.00 0.00 O ATOM 0 H GLU A 105 6.336 3.117 -6.332 1.00 0.00 H new ATOM 0 HA GLU A 105 5.443 1.954 -8.678 1.00 0.00 H new ATOM 0 HB2 GLU A 105 7.829 2.108 -9.465 1.00 0.00 H new ATOM 0 HB3 GLU A 105 7.112 3.594 -8.874 1.00 0.00 H new ATOM 0 HG2 GLU A 105 8.302 3.337 -6.730 1.00 0.00 H new ATOM 0 HG3 GLU A 105 8.986 1.819 -7.275 1.00 0.00 H new ATOM 1658 N ARG A 106 7.405 -0.088 -6.929 1.00 0.00 N ATOM 1659 CA ARG A 106 7.723 -1.499 -6.714 1.00 0.00 C ATOM 1660 C ARG A 106 6.453 -2.328 -6.595 1.00 0.00 C ATOM 1661 O ARG A 106 6.295 -3.318 -7.292 1.00 0.00 O ATOM 1662 CB ARG A 106 8.540 -1.704 -5.443 1.00 0.00 C ATOM 1663 CG ARG A 106 9.938 -1.151 -5.477 1.00 0.00 C ATOM 1664 CD ARG A 106 10.715 -1.647 -4.281 1.00 0.00 C ATOM 1665 NE ARG A 106 11.151 -3.045 -4.458 1.00 0.00 N ATOM 1666 CZ ARG A 106 10.753 -4.092 -3.694 1.00 0.00 C ATOM 1667 NH1 ARG A 106 10.108 -3.887 -2.534 1.00 0.00 N ATOM 1668 NH2 ARG A 106 11.068 -5.329 -4.064 1.00 0.00 N ATOM 0 H ARG A 106 7.853 0.549 -6.271 1.00 0.00 H new ATOM 0 HA ARG A 106 8.306 -1.821 -7.577 1.00 0.00 H new ATOM 0 HB2 ARG A 106 8.006 -1.245 -4.611 1.00 0.00 H new ATOM 0 HB3 ARG A 106 8.595 -2.773 -5.236 1.00 0.00 H new ATOM 0 HG2 ARG A 106 10.437 -1.455 -6.397 1.00 0.00 H new ATOM 0 HG3 ARG A 106 9.908 -0.061 -5.476 1.00 0.00 H new ATOM 0 HD2 ARG A 106 11.586 -1.011 -4.123 1.00 0.00 H new ATOM 0 HD3 ARG A 106 10.097 -1.569 -3.387 1.00 0.00 H new ATOM 0 HE ARG A 106 11.805 -3.240 -5.216 1.00 0.00 H new ATOM 0 HH11 ARG A 106 9.913 -2.936 -2.220 1.00 0.00 H new ATOM 0 HH12 ARG A 106 9.813 -4.682 -1.967 1.00 0.00 H new ATOM 0 HH21 ARG A 106 11.605 -5.485 -4.917 1.00 0.00 H new ATOM 0 HH22 ARG A 106 10.773 -6.122 -3.495 1.00 0.00 H new ATOM 1682 N LEU A 107 5.546 -1.910 -5.695 1.00 0.00 N ATOM 1683 CA LEU A 107 4.287 -2.644 -5.463 1.00 0.00 C ATOM 1684 C LEU A 107 3.575 -2.916 -6.776 1.00 0.00 C ATOM 1685 O LEU A 107 3.125 -4.043 -7.038 1.00 0.00 O ATOM 1686 CB LEU A 107 3.351 -1.859 -4.518 1.00 0.00 C ATOM 1687 CG LEU A 107 2.696 -2.632 -3.345 1.00 0.00 C ATOM 1688 CD1 LEU A 107 3.080 -4.109 -3.328 1.00 0.00 C ATOM 1689 CD2 LEU A 107 3.043 -1.977 -2.022 1.00 0.00 C ATOM 0 H LEU A 107 5.658 -1.075 -5.120 1.00 0.00 H new ATOM 0 HA LEU A 107 4.542 -3.593 -4.992 1.00 0.00 H new ATOM 0 HB2 LEU A 107 3.919 -1.029 -4.097 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.553 -1.426 -5.121 1.00 0.00 H new ATOM 0 HG LEU A 107 1.617 -2.588 -3.496 1.00 0.00 H new ATOM 0 HD11 LEU A 107 2.593 -4.602 -2.486 1.00 0.00 H new ATOM 0 HD12 LEU A 107 2.760 -4.579 -4.258 1.00 0.00 H new ATOM 0 HD13 LEU A 107 4.161 -4.203 -3.228 1.00 0.00 H new ATOM 0 HD21 LEU A 107 2.576 -2.531 -1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 107 4.125 -1.978 -1.888 1.00 0.00 H new ATOM 0 HD23 LEU A 107 2.678 -0.950 -2.018 1.00 0.00 H new ATOM 1701 N PHE A 108 3.532 -1.890 -7.617 1.00 0.00 N ATOM 1702 CA PHE A 108 2.921 -1.974 -8.929 1.00 0.00 C ATOM 1703 C PHE A 108 3.593 -3.032 -9.746 1.00 0.00 C ATOM 1704 O PHE A 108 2.921 -3.844 -10.348 1.00 0.00 O ATOM 1705 CB PHE A 108 2.960 -0.627 -9.654 1.00 0.00 C ATOM 1706 CG PHE A 108 1.776 0.241 -9.360 1.00 0.00 C ATOM 1707 CD1 PHE A 108 1.335 0.405 -8.061 1.00 0.00 C ATOM 1708 CD2 PHE A 108 1.096 0.883 -10.377 1.00 0.00 C ATOM 1709 CE1 PHE A 108 0.252 1.185 -7.781 1.00 0.00 C ATOM 1710 CE2 PHE A 108 0.004 1.672 -10.100 1.00 0.00 C ATOM 1711 CZ PHE A 108 -0.420 1.823 -8.798 1.00 0.00 C ATOM 0 H PHE A 108 3.924 -0.973 -7.403 1.00 0.00 H new ATOM 0 HA PHE A 108 1.874 -2.244 -8.795 1.00 0.00 H new ATOM 0 HB2 PHE A 108 3.869 -0.097 -9.371 1.00 0.00 H new ATOM 0 HB3 PHE A 108 3.015 -0.802 -10.728 1.00 0.00 H new ATOM 0 HD1 PHE A 108 1.856 -0.092 -7.256 1.00 0.00 H new ATOM 0 HD2 PHE A 108 1.425 0.764 -11.399 1.00 0.00 H new ATOM 0 HE1 PHE A 108 -0.079 1.302 -6.760 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -0.520 2.172 -10.901 1.00 0.00 H new ATOM 0 HZ PHE A 108 -1.278 2.441 -8.576 1.00 0.00 H new ATOM 1721 N ARG A 109 4.921 -3.077 -9.707 1.00 0.00 N ATOM 1722 CA ARG A 109 5.656 -4.130 -10.410 1.00 0.00 C ATOM 1723 C ARG A 109 5.088 -5.488 -10.014 1.00 0.00 C ATOM 1724 O ARG A 109 4.696 -6.284 -10.883 1.00 0.00 O ATOM 1725 CB ARG A 109 7.178 -4.109 -10.102 1.00 0.00 C ATOM 1726 CG ARG A 109 7.807 -2.726 -9.908 1.00 0.00 C ATOM 1727 CD ARG A 109 7.975 -1.965 -11.225 1.00 0.00 C ATOM 1728 NE ARG A 109 8.399 -2.832 -12.345 1.00 0.00 N ATOM 1729 CZ ARG A 109 9.595 -3.461 -12.447 1.00 0.00 C ATOM 1730 NH1 ARG A 109 10.511 -3.342 -11.470 1.00 0.00 N ATOM 1731 NH2 ARG A 109 9.862 -4.192 -13.522 1.00 0.00 N ATOM 0 H ARG A 109 5.506 -2.409 -9.205 1.00 0.00 H new ATOM 0 HA ARG A 109 5.536 -3.950 -11.478 1.00 0.00 H new ATOM 0 HB2 ARG A 109 7.354 -4.695 -9.200 1.00 0.00 H new ATOM 0 HB3 ARG A 109 7.700 -4.612 -10.916 1.00 0.00 H new ATOM 0 HG2 ARG A 109 7.185 -2.140 -9.231 1.00 0.00 H new ATOM 0 HG3 ARG A 109 8.781 -2.838 -9.431 1.00 0.00 H new ATOM 0 HD2 ARG A 109 7.032 -1.484 -11.483 1.00 0.00 H new ATOM 0 HD3 ARG A 109 8.710 -1.172 -11.088 1.00 0.00 H new ATOM 0 HE ARG A 109 7.734 -2.968 -13.106 1.00 0.00 H new ATOM 0 HH11 ARG A 109 10.307 -2.776 -10.646 1.00 0.00 H new ATOM 0 HH12 ARG A 109 11.409 -3.818 -11.553 1.00 0.00 H new ATOM 0 HH21 ARG A 109 9.169 -4.278 -14.265 1.00 0.00 H new ATOM 0 HH22 ARG A 109 10.760 -4.668 -13.605 1.00 0.00 H new ATOM 1745 N LEU A 110 5.005 -5.734 -8.690 1.00 0.00 N ATOM 1746 CA LEU A 110 4.517 -6.957 -8.171 1.00 0.00 C ATOM 1747 C LEU A 110 3.061 -7.221 -8.576 1.00 0.00 C ATOM 1748 O LEU A 110 2.752 -8.265 -9.195 1.00 0.00 O ATOM 1749 CB LEU A 110 4.670 -6.946 -6.660 1.00 0.00 C ATOM 1750 CG LEU A 110 6.111 -7.049 -6.146 1.00 0.00 C ATOM 1751 CD1 LEU A 110 6.755 -5.708 -6.060 1.00 0.00 C ATOM 1752 CD2 LEU A 110 6.214 -7.773 -4.820 1.00 0.00 C ATOM 0 H LEU A 110 5.285 -5.063 -7.975 1.00 0.00 H new ATOM 0 HA LEU A 110 5.104 -7.772 -8.595 1.00 0.00 H new ATOM 0 HB2 LEU A 110 4.229 -6.027 -6.273 1.00 0.00 H new ATOM 0 HB3 LEU A 110 4.094 -7.774 -6.247 1.00 0.00 H new ATOM 0 HG LEU A 110 6.650 -7.649 -6.880 1.00 0.00 H new ATOM 0 HD11 LEU A 110 7.775 -5.817 -5.692 1.00 0.00 H new ATOM 0 HD12 LEU A 110 6.773 -5.249 -7.048 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.189 -5.076 -5.376 1.00 0.00 H new ATOM 0 HD21 LEU A 110 7.258 -7.814 -4.508 1.00 0.00 H new ATOM 0 HD22 LEU A 110 5.631 -7.240 -4.068 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.827 -8.786 -4.928 1.00 0.00 H new ATOM 1764 N PHE A 111 2.170 -6.296 -8.208 1.00 0.00 N ATOM 1765 CA PHE A 111 0.734 -6.431 -8.493 1.00 0.00 C ATOM 1766 C PHE A 111 0.427 -6.429 -9.990 1.00 0.00 C ATOM 1767 O PHE A 111 -0.463 -7.151 -10.441 1.00 0.00 O ATOM 1768 CB PHE A 111 -0.074 -5.328 -7.800 1.00 0.00 C ATOM 1769 CG PHE A 111 -0.364 -5.604 -6.351 1.00 0.00 C ATOM 1770 CD1 PHE A 111 -1.220 -6.630 -5.983 1.00 0.00 C ATOM 1771 CD2 PHE A 111 0.216 -4.836 -5.359 1.00 0.00 C ATOM 1772 CE1 PHE A 111 -1.488 -6.883 -4.654 1.00 0.00 C ATOM 1773 CE2 PHE A 111 -0.048 -5.085 -4.029 1.00 0.00 C ATOM 1774 CZ PHE A 111 -0.900 -6.109 -3.676 1.00 0.00 C ATOM 0 H PHE A 111 2.417 -5.441 -7.710 1.00 0.00 H new ATOM 0 HA PHE A 111 0.437 -7.401 -8.095 1.00 0.00 H new ATOM 0 HB2 PHE A 111 0.472 -4.388 -7.878 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.017 -5.194 -8.330 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -1.683 -7.239 -6.746 1.00 0.00 H new ATOM 0 HD2 PHE A 111 0.884 -4.031 -5.629 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.157 -7.685 -4.380 1.00 0.00 H new ATOM 0 HE2 PHE A 111 0.413 -4.478 -3.264 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.107 -6.305 -2.634 1.00 0.00 H new ATOM 1784 N SER A 112 1.130 -5.597 -10.751 1.00 0.00 N ATOM 1785 CA SER A 112 0.882 -5.450 -12.189 1.00 0.00 C ATOM 1786 C SER A 112 1.392 -6.620 -13.053 1.00 0.00 C ATOM 1787 O SER A 112 1.374 -6.505 -14.291 1.00 0.00 O ATOM 1788 CB SER A 112 1.436 -4.120 -12.707 1.00 0.00 C ATOM 1789 OG SER A 112 0.910 -3.023 -11.957 1.00 0.00 O ATOM 0 H SER A 112 1.883 -5.008 -10.396 1.00 0.00 H new ATOM 0 HA SER A 112 -0.203 -5.462 -12.292 1.00 0.00 H new ATOM 0 HB2 SER A 112 2.524 -4.124 -12.640 1.00 0.00 H new ATOM 0 HB3 SER A 112 1.182 -4.001 -13.760 1.00 0.00 H new ATOM 0 HG SER A 112 1.369 -2.968 -11.093 1.00 0.00 H new ATOM 1795 N GLY A 113 1.728 -7.771 -12.448 1.00 0.00 N ATOM 1796 CA GLY A 113 2.090 -8.920 -13.261 1.00 0.00 C ATOM 1797 C GLY A 113 3.401 -9.610 -12.937 1.00 0.00 C ATOM 1798 O GLY A 113 3.855 -10.417 -13.751 1.00 0.00 O ATOM 0 H GLY A 113 1.754 -7.920 -11.439 1.00 0.00 H new ATOM 0 HA2 GLY A 113 1.291 -9.657 -13.180 1.00 0.00 H new ATOM 0 HA3 GLY A 113 2.124 -8.600 -14.302 1.00 0.00 H new ATOM 1802 N GLU A 114 3.974 -9.416 -11.732 1.00 0.00 N ATOM 1803 CA GLU A 114 5.161 -10.205 -11.378 1.00 0.00 C ATOM 1804 C GLU A 114 4.696 -11.637 -11.106 1.00 0.00 C ATOM 1805 O GLU A 114 4.721 -12.493 -11.993 1.00 0.00 O ATOM 1806 CB GLU A 114 5.907 -9.644 -10.133 1.00 0.00 C ATOM 1807 CG GLU A 114 6.762 -8.406 -10.387 1.00 0.00 C ATOM 1808 CD GLU A 114 7.977 -8.694 -11.196 1.00 0.00 C ATOM 1809 OE1 GLU A 114 7.857 -8.784 -12.419 1.00 0.00 O ATOM 1810 OE2 GLU A 114 9.052 -8.832 -10.616 1.00 0.00 O ATOM 0 H GLU A 114 3.653 -8.756 -11.024 1.00 0.00 H new ATOM 0 HA GLU A 114 5.871 -10.162 -12.204 1.00 0.00 H new ATOM 0 HB2 GLU A 114 5.170 -9.405 -9.366 1.00 0.00 H new ATOM 0 HB3 GLU A 114 6.545 -10.429 -9.728 1.00 0.00 H new ATOM 0 HG2 GLU A 114 6.161 -7.655 -10.899 1.00 0.00 H new ATOM 0 HG3 GLU A 114 7.062 -7.976 -9.431 1.00 0.00 H new ATOM 1817 N TYR A 115 4.219 -11.863 -9.894 1.00 0.00 N ATOM 1818 CA TYR A 115 3.650 -13.144 -9.486 1.00 0.00 C ATOM 1819 C TYR A 115 2.139 -13.166 -9.747 1.00 0.00 C ATOM 1820 O TYR A 115 1.586 -14.164 -10.216 1.00 0.00 O ATOM 1821 CB TYR A 115 3.954 -13.448 -7.996 1.00 0.00 C ATOM 1822 CG TYR A 115 5.056 -12.583 -7.422 1.00 0.00 C ATOM 1823 CD1 TYR A 115 6.389 -12.897 -7.633 1.00 0.00 C ATOM 1824 CD2 TYR A 115 4.756 -11.428 -6.726 1.00 0.00 C ATOM 1825 CE1 TYR A 115 7.394 -12.091 -7.154 1.00 0.00 C ATOM 1826 CE2 TYR A 115 5.746 -10.611 -6.255 1.00 0.00 C ATOM 1827 CZ TYR A 115 7.071 -10.946 -6.468 1.00 0.00 C ATOM 1828 OH TYR A 115 8.072 -10.131 -6.004 1.00 0.00 O ATOM 0 H TYR A 115 4.214 -11.159 -9.156 1.00 0.00 H new ATOM 0 HA TYR A 115 4.118 -13.925 -10.085 1.00 0.00 H new ATOM 0 HB2 TYR A 115 3.046 -13.304 -7.410 1.00 0.00 H new ATOM 0 HB3 TYR A 115 4.235 -14.496 -7.896 1.00 0.00 H new ATOM 0 HD1 TYR A 115 6.643 -13.791 -8.184 1.00 0.00 H new ATOM 0 HD2 TYR A 115 3.723 -11.166 -6.551 1.00 0.00 H new ATOM 0 HE1 TYR A 115 8.428 -12.356 -7.316 1.00 0.00 H new ATOM 0 HE2 TYR A 115 5.494 -9.708 -5.719 1.00 0.00 H new ATOM 0 HH TYR A 115 8.850 -10.199 -6.596 1.00 0.00 H new ATOM 1838 N ILE A 116 1.471 -12.071 -9.352 1.00 0.00 N ATOM 1839 CA ILE A 116 0.015 -11.942 -9.416 1.00 0.00 C ATOM 1840 C ILE A 116 -0.605 -12.509 -10.706 1.00 0.00 C ATOM 1841 O ILE A 116 -1.556 -13.274 -10.626 1.00 0.00 O ATOM 1842 CB ILE A 116 -0.449 -10.462 -9.182 1.00 0.00 C ATOM 1843 CG1 ILE A 116 -0.011 -9.972 -7.795 1.00 0.00 C ATOM 1844 CG2 ILE A 116 -1.958 -10.337 -9.303 1.00 0.00 C ATOM 1845 CD1 ILE A 116 -0.615 -10.765 -6.652 1.00 0.00 C ATOM 0 H ILE A 116 1.935 -11.244 -8.976 1.00 0.00 H new ATOM 0 HA ILE A 116 -0.361 -12.559 -8.599 1.00 0.00 H new ATOM 0 HB ILE A 116 0.020 -9.846 -9.949 1.00 0.00 H new ATOM 0 HG12 ILE A 116 1.076 -10.023 -7.727 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -0.288 -8.924 -7.685 1.00 0.00 H new ATOM 0 HG21 ILE A 116 -2.252 -9.301 -9.136 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -2.270 -10.646 -10.301 1.00 0.00 H new ATOM 0 HG23 ILE A 116 -2.437 -10.974 -8.559 1.00 0.00 H new ATOM 0 HD11 ILE A 116 -0.261 -10.362 -5.703 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -1.702 -10.693 -6.694 1.00 0.00 H new ATOM 0 HD13 ILE A 116 -0.317 -11.810 -6.737 1.00 0.00 H new ATOM 1857 N SER A 117 -0.086 -12.139 -11.877 1.00 0.00 N ATOM 1858 CA SER A 117 -0.668 -12.632 -13.144 1.00 0.00 C ATOM 1859 C SER A 117 -0.831 -14.156 -13.136 1.00 0.00 C ATOM 1860 O SER A 117 -1.924 -14.666 -13.413 1.00 0.00 O ATOM 1861 CB SER A 117 0.142 -12.171 -14.366 1.00 0.00 C ATOM 1862 OG SER A 117 1.444 -11.723 -13.983 1.00 0.00 O ATOM 0 H SER A 117 0.715 -11.517 -11.984 1.00 0.00 H new ATOM 0 HA SER A 117 -1.662 -12.191 -13.226 1.00 0.00 H new ATOM 0 HB2 SER A 117 0.232 -12.992 -15.077 1.00 0.00 H new ATOM 0 HB3 SER A 117 -0.388 -11.365 -14.874 1.00 0.00 H new ATOM 0 HG SER A 117 1.879 -11.291 -14.747 1.00 0.00 H new ATOM 1868 N THR A 118 0.230 -14.877 -12.742 1.00 0.00 N ATOM 1869 CA THR A 118 0.158 -16.333 -12.633 1.00 0.00 C ATOM 1870 C THR A 118 -0.937 -16.747 -11.636 1.00 0.00 C ATOM 1871 O THR A 118 -1.730 -17.660 -11.916 1.00 0.00 O ATOM 1872 CB THR A 118 1.535 -16.958 -12.280 1.00 0.00 C ATOM 1873 OG1 THR A 118 2.127 -16.404 -11.087 1.00 0.00 O ATOM 1874 CG2 THR A 118 2.553 -16.833 -13.395 1.00 0.00 C ATOM 0 H THR A 118 1.136 -14.477 -12.497 1.00 0.00 H new ATOM 0 HA THR A 118 -0.115 -16.729 -13.611 1.00 0.00 H new ATOM 0 HB THR A 118 1.298 -18.009 -12.115 1.00 0.00 H new ATOM 0 HG1 THR A 118 1.608 -15.625 -10.796 1.00 0.00 H new ATOM 0 HG21 THR A 118 3.492 -17.290 -13.083 1.00 0.00 H new ATOM 0 HG22 THR A 118 2.181 -17.340 -14.286 1.00 0.00 H new ATOM 0 HG23 THR A 118 2.719 -15.779 -13.620 1.00 0.00 H new ATOM 1882 N LEU A 119 -1.040 -16.001 -10.526 1.00 0.00 N ATOM 1883 CA LEU A 119 -2.094 -16.213 -9.532 1.00 0.00 C ATOM 1884 C LEU A 119 -3.471 -16.012 -10.164 1.00 0.00 C ATOM 1885 O LEU A 119 -4.374 -16.835 -9.983 1.00 0.00 O ATOM 1886 CB LEU A 119 -1.920 -15.249 -8.349 1.00 0.00 C ATOM 1887 CG LEU A 119 -2.857 -15.473 -7.162 1.00 0.00 C ATOM 1888 CD1 LEU A 119 -2.153 -16.228 -6.054 1.00 0.00 C ATOM 1889 CD2 LEU A 119 -3.393 -14.148 -6.655 1.00 0.00 C ATOM 0 H LEU A 119 -0.399 -15.241 -10.296 1.00 0.00 H new ATOM 0 HA LEU A 119 -2.017 -17.237 -9.167 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -0.892 -15.322 -7.994 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -2.061 -14.231 -8.711 1.00 0.00 H new ATOM 0 HG LEU A 119 -3.698 -16.079 -7.498 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -2.840 -16.375 -5.221 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -1.822 -17.197 -6.427 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -1.289 -15.656 -5.716 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -4.059 -14.324 -5.810 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -2.563 -13.517 -6.338 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -3.944 -13.649 -7.453 1.00 0.00 H new ATOM 1901 N MET A 120 -3.627 -14.915 -10.904 1.00 0.00 N ATOM 1902 CA MET A 120 -4.862 -14.585 -11.575 1.00 0.00 C ATOM 1903 C MET A 120 -5.079 -15.492 -12.799 1.00 0.00 C ATOM 1904 O MET A 120 -5.076 -15.016 -13.953 1.00 0.00 O ATOM 1905 CB MET A 120 -4.857 -13.124 -12.001 1.00 0.00 C ATOM 1906 CG MET A 120 -4.099 -12.159 -11.105 1.00 0.00 C ATOM 1907 SD MET A 120 -5.015 -10.657 -10.753 1.00 0.00 S ATOM 1908 CE MET A 120 -5.985 -11.206 -9.367 1.00 0.00 C ATOM 0 H MET A 120 -2.886 -14.230 -11.050 1.00 0.00 H new ATOM 0 HA MET A 120 -5.683 -14.747 -10.877 1.00 0.00 H new ATOM 0 HB2 MET A 120 -4.434 -13.062 -13.004 1.00 0.00 H new ATOM 0 HB3 MET A 120 -5.891 -12.785 -12.070 1.00 0.00 H new ATOM 0 HG2 MET A 120 -3.857 -12.658 -10.167 1.00 0.00 H new ATOM 0 HG3 MET A 120 -3.154 -11.898 -11.580 1.00 0.00 H new ATOM 0 HE1 MET A 120 -6.705 -10.433 -9.098 1.00 0.00 H new ATOM 0 HE2 MET A 120 -6.516 -12.120 -9.634 1.00 0.00 H new ATOM 0 HE3 MET A 120 -5.329 -11.402 -8.519 1.00 0.00 H new ATOM 1918 N LYS A 121 -5.208 -16.800 -12.559 1.00 0.00 N ATOM 1919 CA LYS A 121 -5.353 -17.758 -13.644 1.00 0.00 C ATOM 1920 C LYS A 121 -6.747 -17.731 -14.254 1.00 0.00 C ATOM 1921 O LYS A 121 -6.955 -17.081 -15.288 1.00 0.00 O ATOM 1922 CB LYS A 121 -4.927 -19.164 -13.212 1.00 0.00 C ATOM 1923 CG LYS A 121 -4.046 -19.872 -14.226 1.00 0.00 C ATOM 1924 CD LYS A 121 -3.142 -20.897 -13.579 1.00 0.00 C ATOM 1925 CE LYS A 121 -1.816 -20.971 -14.313 1.00 0.00 C ATOM 1926 NZ LYS A 121 -1.932 -21.645 -15.638 1.00 0.00 N ATOM 0 H LYS A 121 -5.214 -17.212 -11.626 1.00 0.00 H new ATOM 0 HA LYS A 121 -4.672 -17.452 -14.438 1.00 0.00 H new ATOM 0 HB2 LYS A 121 -4.394 -19.097 -12.264 1.00 0.00 H new ATOM 0 HB3 LYS A 121 -5.818 -19.766 -13.035 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -4.673 -20.362 -14.971 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -3.439 -19.136 -14.754 1.00 0.00 H new ATOM 0 HD2 LYS A 121 -2.973 -20.634 -12.535 1.00 0.00 H new ATOM 0 HD3 LYS A 121 -3.625 -21.874 -13.588 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -1.427 -19.963 -14.455 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -1.094 -21.508 -13.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -1.000 -21.669 -16.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -2.278 -22.617 -15.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -2.600 -21.120 -16.237 1.00 0.00 H new ATOM 1940 N THR A 122 -7.703 -18.410 -13.633 1.00 0.00 N ATOM 1941 CA THR A 122 -9.045 -18.432 -14.124 1.00 0.00 C ATOM 1942 C THR A 122 -10.031 -17.824 -13.124 1.00 0.00 C ATOM 1943 O THR A 122 -11.163 -17.524 -13.516 1.00 0.00 O ATOM 1944 CB THR A 122 -9.448 -19.851 -14.536 1.00 0.00 C ATOM 1945 OG1 THR A 122 -10.567 -19.829 -15.427 1.00 0.00 O ATOM 1946 CG2 THR A 122 -9.779 -20.777 -13.380 1.00 0.00 C ATOM 1947 OXT THR A 122 -9.667 -17.646 -11.952 1.00 0.00 O ATOM 0 H THR A 122 -7.556 -18.952 -12.782 1.00 0.00 H new ATOM 0 HA THR A 122 -9.084 -17.804 -15.014 1.00 0.00 H new ATOM 0 HB THR A 122 -8.561 -20.250 -15.027 1.00 0.00 H new ATOM 0 HG1 THR A 122 -11.176 -19.106 -15.169 1.00 0.00 H new ATOM 0 HG21 THR A 122 -10.053 -21.758 -13.767 1.00 0.00 H new ATOM 0 HG22 THR A 122 -8.909 -20.873 -12.730 1.00 0.00 H new ATOM 0 HG23 THR A 122 -10.613 -20.365 -12.811 1.00 0.00 H new TER 1955 THR A 122