USER MOD reduce.3.24.130724 H: found=0, std=0, add=850, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 853 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 13 LYS NZ :NH3+ 149:sc= 2.42 (180deg=1.1) USER MOD Set 1.2: A 98 SER OG : rot 156:sc= 1.02 USER MOD Set 2.1: A 30 THR OG1 : rot 111:sc= 1.15 USER MOD Set 2.2: A 91 SER OG : rot -24:sc= 1.32 USER MOD Set 3.1: A 53 LYS NZ :NH3+ 155:sc= 1.73 (180deg=0.456) USER MOD Set 3.2: A 54 SER OG : rot 112:sc= 1.93 USER MOD Set 3.3: A 69 TYR OH : rot 179:sc= 0.89 USER MOD Set 4.1: A 47 ASN : amide:sc= 0.749 K(o=1.1,f=-7.8) USER MOD Set 4.2: A 75 ASN : amide:sc= 0.336 K(o=1.1,f=-6.9!) USER MOD Set 5.1: A 39 SER OG : rot 99:sc= 2.26 USER MOD Set 5.2: A 63 SER OG : rot 92:sc= 1.16 USER MOD Set 5.3: A 65 THR OG1 : rot 71:sc= 2.1 USER MOD Set 6.1: A 24 THR OG1 : rot 166:sc= 0.876 USER MOD Set 6.2: A 32 LYS NZ :NH3+ -139:sc= 2.25 (180deg=0) USER MOD Set 6.3: A 33 SER OG : rot 68:sc= 2.49 USER MOD Set 6.4: A 36 GLN : amide:sc= 0.922 K(o=6.5,f=-5.8!) USER MOD Set 7.1: A 6 SER OG : rot -116:sc= 0.93 USER MOD Set 7.2: A 9 SER OG : rot 49:sc= 0.92 USER MOD Set 8.1: A 5 LYS NZ :NH3+ 157:sc= 3.24 (180deg=1.37) USER MOD Set 8.2: A 7 GLN : amide:sc= 1.56 K(o=6.1,f=-4.8!) USER MOD Set 8.3: A 68 TYR OH : rot -170:sc= 1.25 USER MOD Single : A 11 ASN : amide:sc= 0.9 K(o=0.9,f=-3.3!) USER MOD Single : A 12 GLN : amide:sc= -0.126 X(o=-0.13,f=-0.16) USER MOD Single : A 19 LYS NZ :NH3+ 162:sc= 0.137 (180deg=-0.701) USER MOD Single : A 20 SER OG : rot 62:sc= 1.19 USER MOD Single : A 22 LYS NZ :NH3+ -169:sc= 1.28 (180deg=1.11) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 30:sc= 1.1 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 167:sc= 1.24 USER MOD Single : A 38 LYS NZ :NH3+ 168:sc= 3.53 (180deg=3.48) USER MOD Single : A 40 LYS NZ :NH3+ -172:sc= 3.48 (180deg=3.18) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 179:sc= 1.98 USER MOD Single : A 61 MET CE :methyl -166:sc= -0.0289 (180deg=-0.269) USER MOD Single : A 64 LYS NZ :NH3+ 171:sc= 2.22 (180deg=2.09) USER MOD Single : A 66 LYS NZ :NH3+ 176:sc= 0.455 (180deg=0.274) USER MOD Single : A 71 GLN : amide:sc= 2.2 K(o=2.2,f=-0.049) USER MOD Single : A 74 ASN : amide:sc= 1.51 K(o=1.5,f=-3.5!) USER MOD Single : A 79 THR OG1 : rot 144:sc= 0.881 USER MOD Single : A 83 LYS NZ :NH3+ -172:sc= 2.38 (180deg=2.2) USER MOD Single : A 102 THR OG1 : rot -88:sc= 1.3 USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.278 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 3.876 -2.109 -30.273 1.00 0.00 N ATOM 2 CA ALA A 2 4.373 -1.613 -28.976 1.00 0.00 C ATOM 3 C ALA A 2 5.620 -0.754 -29.180 1.00 0.00 C ATOM 4 O ALA A 2 6.411 -1.077 -30.063 1.00 0.00 O ATOM 5 CB ALA A 2 4.708 -2.772 -28.036 1.00 0.00 C ATOM 0 HA ALA A 2 3.583 -1.011 -28.526 1.00 0.00 H new ATOM 0 HB1 ALA A 2 5.072 -2.378 -27.087 1.00 0.00 H new ATOM 0 HB2 ALA A 2 3.813 -3.369 -27.861 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.478 -3.397 -28.489 1.00 0.00 H new ATOM 13 N PRO A 3 5.853 0.285 -28.356 1.00 0.00 N ATOM 14 CA PRO A 3 7.038 1.151 -28.422 1.00 0.00 C ATOM 15 C PRO A 3 8.283 0.558 -27.736 1.00 0.00 C ATOM 16 O PRO A 3 9.241 1.269 -27.452 1.00 0.00 O ATOM 17 CB PRO A 3 6.587 2.437 -27.719 1.00 0.00 C ATOM 18 CG PRO A 3 5.717 1.887 -26.588 1.00 0.00 C ATOM 19 CD PRO A 3 4.984 0.730 -27.275 1.00 0.00 C ATOM 0 HA PRO A 3 7.356 1.299 -29.454 1.00 0.00 H new ATOM 0 HB2 PRO A 3 7.431 3.014 -27.342 1.00 0.00 H new ATOM 0 HB3 PRO A 3 6.025 3.092 -28.385 1.00 0.00 H new ATOM 0 HG2 PRO A 3 6.316 1.545 -25.744 1.00 0.00 H new ATOM 0 HG3 PRO A 3 5.025 2.637 -26.205 1.00 0.00 H new ATOM 0 HD2 PRO A 3 4.790 -0.080 -26.572 1.00 0.00 H new ATOM 0 HD3 PRO A 3 4.018 1.055 -27.661 1.00 0.00 H new ATOM 27 N VAL A 4 8.236 -0.729 -27.387 1.00 0.00 N ATOM 28 CA VAL A 4 9.128 -1.375 -26.419 1.00 0.00 C ATOM 29 C VAL A 4 10.609 -1.275 -26.808 1.00 0.00 C ATOM 30 O VAL A 4 10.988 -1.575 -27.934 1.00 0.00 O ATOM 31 CB VAL A 4 8.697 -2.834 -26.172 1.00 0.00 C ATOM 32 CG1 VAL A 4 8.732 -3.739 -27.412 1.00 0.00 C ATOM 33 CG2 VAL A 4 9.482 -3.494 -25.031 1.00 0.00 C ATOM 0 H VAL A 4 7.552 -1.374 -27.784 1.00 0.00 H new ATOM 0 HA VAL A 4 9.032 -0.827 -25.482 1.00 0.00 H new ATOM 0 HB VAL A 4 7.650 -2.740 -25.884 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.412 -4.744 -27.138 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.061 -3.340 -28.173 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.747 -3.776 -27.807 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.139 -4.520 -24.899 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.545 -3.495 -25.273 1.00 0.00 H new ATOM 0 HG23 VAL A 4 9.321 -2.936 -24.108 1.00 0.00 H new ATOM 43 N LYS A 5 11.515 -0.893 -25.902 1.00 0.00 N ATOM 44 CA LYS A 5 11.360 -0.361 -24.532 1.00 0.00 C ATOM 45 C LYS A 5 11.268 1.180 -24.466 1.00 0.00 C ATOM 46 O LYS A 5 11.202 1.708 -23.362 1.00 0.00 O ATOM 47 CB LYS A 5 12.526 -0.900 -23.668 1.00 0.00 C ATOM 48 CG LYS A 5 12.261 -0.895 -22.141 1.00 0.00 C ATOM 49 CD LYS A 5 13.175 0.057 -21.347 1.00 0.00 C ATOM 50 CE LYS A 5 12.949 -0.043 -19.828 1.00 0.00 C ATOM 51 NZ LYS A 5 11.674 0.565 -19.377 1.00 0.00 N ATOM 0 H LYS A 5 12.505 -0.956 -26.138 1.00 0.00 H new ATOM 0 HA LYS A 5 10.403 -0.707 -24.141 1.00 0.00 H new ATOM 0 HB2 LYS A 5 12.749 -1.920 -23.980 1.00 0.00 H new ATOM 0 HB3 LYS A 5 13.415 -0.303 -23.870 1.00 0.00 H new ATOM 0 HG2 LYS A 5 11.222 -0.616 -21.964 1.00 0.00 H new ATOM 0 HG3 LYS A 5 12.388 -1.907 -21.758 1.00 0.00 H new ATOM 0 HD2 LYS A 5 14.217 -0.172 -21.572 1.00 0.00 H new ATOM 0 HD3 LYS A 5 12.996 1.082 -21.671 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.965 -1.093 -19.535 1.00 0.00 H new ATOM 0 HE3 LYS A 5 13.777 0.445 -19.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.392 0.146 -18.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.800 1.591 -19.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.934 0.385 -20.085 1.00 0.00 H new ATOM 65 N SER A 6 11.271 1.889 -25.601 1.00 0.00 N ATOM 66 CA SER A 6 11.531 3.331 -25.784 1.00 0.00 C ATOM 67 C SER A 6 10.872 4.248 -24.735 1.00 0.00 C ATOM 68 O SER A 6 9.647 4.396 -24.677 1.00 0.00 O ATOM 69 CB SER A 6 11.175 3.732 -27.220 1.00 0.00 C ATOM 70 OG SER A 6 11.991 4.800 -27.640 1.00 0.00 O ATOM 0 H SER A 6 11.076 1.435 -26.493 1.00 0.00 H new ATOM 0 HA SER A 6 12.597 3.484 -25.615 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.306 2.880 -27.887 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.126 4.022 -27.275 1.00 0.00 H new ATOM 0 HG SER A 6 11.436 5.590 -27.806 1.00 0.00 H new ATOM 76 N GLN A 7 11.710 4.799 -23.846 1.00 0.00 N ATOM 77 CA GLN A 7 11.312 5.328 -22.539 1.00 0.00 C ATOM 78 C GLN A 7 10.625 6.694 -22.548 1.00 0.00 C ATOM 79 O GLN A 7 9.889 6.993 -21.608 1.00 0.00 O ATOM 80 CB GLN A 7 12.538 5.393 -21.607 1.00 0.00 C ATOM 81 CG GLN A 7 12.580 4.193 -20.656 1.00 0.00 C ATOM 82 CD GLN A 7 11.472 4.147 -19.595 1.00 0.00 C ATOM 83 OE1 GLN A 7 11.452 3.227 -18.785 1.00 0.00 O ATOM 84 NE2 GLN A 7 10.529 5.074 -19.548 1.00 0.00 N ATOM 0 H GLN A 7 12.710 4.890 -24.023 1.00 0.00 H new ATOM 0 HA GLN A 7 10.558 4.627 -22.181 1.00 0.00 H new ATOM 0 HB2 GLN A 7 13.450 5.419 -22.204 1.00 0.00 H new ATOM 0 HB3 GLN A 7 12.509 6.317 -21.029 1.00 0.00 H new ATOM 0 HG2 GLN A 7 12.528 3.280 -21.249 1.00 0.00 H new ATOM 0 HG3 GLN A 7 13.545 4.188 -20.148 1.00 0.00 H new ATOM 0 HE21 GLN A 7 10.537 5.844 -20.217 1.00 0.00 H new ATOM 0 HE22 GLN A 7 9.795 5.019 -18.842 1.00 0.00 H new ATOM 93 N GLU A 8 10.859 7.507 -23.573 1.00 0.00 N ATOM 94 CA GLU A 8 10.094 8.714 -23.891 1.00 0.00 C ATOM 95 C GLU A 8 8.723 8.363 -24.493 1.00 0.00 C ATOM 96 O GLU A 8 7.693 8.893 -24.068 1.00 0.00 O ATOM 97 CB GLU A 8 10.940 9.624 -24.813 1.00 0.00 C ATOM 98 CG GLU A 8 11.219 9.150 -26.259 1.00 0.00 C ATOM 99 CD GLU A 8 11.687 7.692 -26.362 1.00 0.00 C ATOM 100 OE1 GLU A 8 12.634 7.306 -25.648 1.00 0.00 O ATOM 101 OE2 GLU A 8 10.972 6.888 -27.015 1.00 0.00 O ATOM 0 H GLU A 8 11.618 7.338 -24.234 1.00 0.00 H new ATOM 0 HA GLU A 8 9.883 9.266 -22.975 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.443 10.592 -24.871 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.901 9.788 -24.326 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.312 9.272 -26.851 1.00 0.00 H new ATOM 0 HG3 GLU A 8 11.977 9.796 -26.701 1.00 0.00 H new ATOM 108 N SER A 9 8.707 7.432 -25.457 1.00 0.00 N ATOM 109 CA SER A 9 7.550 7.071 -26.268 1.00 0.00 C ATOM 110 C SER A 9 6.444 6.444 -25.432 1.00 0.00 C ATOM 111 O SER A 9 5.279 6.772 -25.651 1.00 0.00 O ATOM 112 CB SER A 9 7.957 6.097 -27.377 1.00 0.00 C ATOM 113 OG SER A 9 8.909 6.677 -28.244 1.00 0.00 O ATOM 0 H SER A 9 9.537 6.891 -25.698 1.00 0.00 H new ATOM 0 HA SER A 9 7.167 7.993 -26.707 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.369 5.190 -26.935 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.076 5.802 -27.946 1.00 0.00 H new ATOM 0 HG SER A 9 9.628 7.082 -27.716 1.00 0.00 H new ATOM 119 N ILE A 10 6.791 5.587 -24.458 1.00 0.00 N ATOM 120 CA ILE A 10 5.817 4.970 -23.548 1.00 0.00 C ATOM 121 C ILE A 10 4.933 6.025 -22.876 1.00 0.00 C ATOM 122 O ILE A 10 3.718 5.874 -22.914 1.00 0.00 O ATOM 123 CB ILE A 10 6.506 4.009 -22.545 1.00 0.00 C ATOM 124 CG1 ILE A 10 5.512 3.176 -21.700 1.00 0.00 C ATOM 125 CG2 ILE A 10 7.559 4.699 -21.664 1.00 0.00 C ATOM 126 CD1 ILE A 10 4.933 3.834 -20.437 1.00 0.00 C ATOM 0 H ILE A 10 7.755 5.304 -24.281 1.00 0.00 H new ATOM 0 HA ILE A 10 5.144 4.349 -24.139 1.00 0.00 H new ATOM 0 HB ILE A 10 7.042 3.300 -23.176 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.679 2.891 -22.343 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.013 2.255 -21.401 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.001 3.969 -20.986 1.00 0.00 H new ATOM 0 HG22 ILE A 10 8.338 5.126 -22.295 1.00 0.00 H new ATOM 0 HG23 ILE A 10 7.086 5.492 -21.085 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.253 3.139 -19.944 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.745 4.092 -19.757 1.00 0.00 H new ATOM 0 HD13 ILE A 10 4.390 4.738 -20.714 1.00 0.00 H new ATOM 138 N ASN A 11 5.511 7.098 -22.317 1.00 0.00 N ATOM 139 CA ASN A 11 4.784 8.131 -21.573 1.00 0.00 C ATOM 140 C ASN A 11 3.695 8.762 -22.463 1.00 0.00 C ATOM 141 O ASN A 11 2.501 8.649 -22.179 1.00 0.00 O ATOM 142 CB ASN A 11 5.817 9.140 -21.007 1.00 0.00 C ATOM 143 CG ASN A 11 5.325 9.969 -19.820 1.00 0.00 C ATOM 144 OD1 ASN A 11 4.142 10.096 -19.552 1.00 0.00 O ATOM 145 ND2 ASN A 11 6.232 10.538 -19.050 1.00 0.00 N ATOM 0 H ASN A 11 6.514 7.273 -22.371 1.00 0.00 H new ATOM 0 HA ASN A 11 4.246 7.711 -20.723 1.00 0.00 H new ATOM 0 HB2 ASN A 11 6.709 8.592 -20.704 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.116 9.818 -21.806 1.00 0.00 H new ATOM 0 HD21 ASN A 11 5.942 11.080 -18.236 1.00 0.00 H new ATOM 0 HD22 ASN A 11 7.223 10.436 -19.268 1.00 0.00 H new ATOM 152 N GLN A 12 4.100 9.353 -23.595 1.00 0.00 N ATOM 153 CA GLN A 12 3.176 9.992 -24.533 1.00 0.00 C ATOM 154 C GLN A 12 2.184 8.995 -25.158 1.00 0.00 C ATOM 155 O GLN A 12 0.982 9.265 -25.185 1.00 0.00 O ATOM 156 CB GLN A 12 3.983 10.743 -25.606 1.00 0.00 C ATOM 157 CG GLN A 12 3.114 11.686 -26.456 1.00 0.00 C ATOM 158 CD GLN A 12 2.503 12.817 -25.631 1.00 0.00 C ATOM 159 OE1 GLN A 12 1.372 12.750 -25.180 1.00 0.00 O ATOM 160 NE2 GLN A 12 3.234 13.889 -25.387 1.00 0.00 N ATOM 0 H GLN A 12 5.077 9.400 -23.883 1.00 0.00 H new ATOM 0 HA GLN A 12 2.565 10.705 -23.980 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.772 11.320 -25.123 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.472 10.020 -26.259 1.00 0.00 H new ATOM 0 HG2 GLN A 12 3.720 12.110 -27.257 1.00 0.00 H new ATOM 0 HG3 GLN A 12 2.316 11.113 -26.929 1.00 0.00 H new ATOM 0 HE21 GLN A 12 4.181 13.956 -25.759 1.00 0.00 H new ATOM 0 HE22 GLN A 12 2.851 14.650 -24.826 1.00 0.00 H new ATOM 169 N LYS A 13 2.657 7.835 -25.643 1.00 0.00 N ATOM 170 CA LYS A 13 1.806 6.818 -26.277 1.00 0.00 C ATOM 171 C LYS A 13 0.777 6.243 -25.298 1.00 0.00 C ATOM 172 O LYS A 13 -0.350 5.969 -25.705 1.00 0.00 O ATOM 173 CB LYS A 13 2.685 5.728 -26.905 1.00 0.00 C ATOM 174 CG LYS A 13 1.933 4.810 -27.883 1.00 0.00 C ATOM 175 CD LYS A 13 2.935 3.821 -28.496 1.00 0.00 C ATOM 176 CE LYS A 13 2.316 2.824 -29.479 1.00 0.00 C ATOM 177 NZ LYS A 13 1.955 3.448 -30.769 1.00 0.00 N ATOM 0 H LYS A 13 3.643 7.577 -25.606 1.00 0.00 H new ATOM 0 HA LYS A 13 1.229 7.291 -27.071 1.00 0.00 H new ATOM 0 HB2 LYS A 13 3.514 6.201 -27.431 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.117 5.120 -26.110 1.00 0.00 H new ATOM 0 HG2 LYS A 13 1.140 4.272 -27.363 1.00 0.00 H new ATOM 0 HG3 LYS A 13 1.457 5.400 -28.666 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.715 4.383 -29.010 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.419 3.267 -27.692 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.019 2.011 -29.657 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.426 2.383 -29.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.047 2.747 -31.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 0.973 3.788 -30.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 2.591 4.249 -30.957 1.00 0.00 H new ATOM 191 N LEU A 14 1.128 6.100 -24.014 1.00 0.00 N ATOM 192 CA LEU A 14 0.196 5.694 -22.967 1.00 0.00 C ATOM 193 C LEU A 14 -0.865 6.774 -22.720 1.00 0.00 C ATOM 194 O LEU A 14 -2.041 6.432 -22.650 1.00 0.00 O ATOM 195 CB LEU A 14 0.963 5.297 -21.698 1.00 0.00 C ATOM 196 CG LEU A 14 0.073 4.551 -20.690 1.00 0.00 C ATOM 197 CD1 LEU A 14 0.892 3.484 -19.970 1.00 0.00 C ATOM 198 CD2 LEU A 14 -0.532 5.492 -19.649 1.00 0.00 C ATOM 0 H LEU A 14 2.076 6.265 -23.675 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.350 4.810 -23.297 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.809 4.666 -21.970 1.00 0.00 H new ATOM 0 HB3 LEU A 14 1.371 6.192 -21.227 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.742 4.096 -21.253 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.257 2.958 -19.257 1.00 0.00 H new ATOM 0 HD12 LEU A 14 1.285 2.774 -20.698 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.719 3.956 -19.440 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.153 4.920 -18.959 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.267 5.984 -19.095 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.143 6.243 -20.149 1.00 0.00 H new ATOM 210 N ALA A 15 -0.492 8.060 -22.637 1.00 0.00 N ATOM 211 CA ALA A 15 -1.470 9.150 -22.525 1.00 0.00 C ATOM 212 C ALA A 15 -2.435 9.186 -23.722 1.00 0.00 C ATOM 213 O ALA A 15 -3.648 9.292 -23.546 1.00 0.00 O ATOM 214 CB ALA A 15 -0.757 10.497 -22.398 1.00 0.00 C ATOM 0 H ALA A 15 0.480 8.369 -22.645 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.058 8.961 -21.627 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.496 11.294 -22.316 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -0.128 10.493 -21.508 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.138 10.666 -23.279 1.00 0.00 H new ATOM 220 N LEU A 16 -1.881 9.061 -24.931 1.00 0.00 N ATOM 221 CA LEU A 16 -2.607 8.916 -26.188 1.00 0.00 C ATOM 222 C LEU A 16 -3.594 7.735 -26.126 1.00 0.00 C ATOM 223 O LEU A 16 -4.777 7.932 -26.386 1.00 0.00 O ATOM 224 CB LEU A 16 -1.549 8.851 -27.304 1.00 0.00 C ATOM 225 CG LEU A 16 -2.056 8.556 -28.726 1.00 0.00 C ATOM 226 CD1 LEU A 16 -1.112 9.182 -29.757 1.00 0.00 C ATOM 227 CD2 LEU A 16 -2.066 7.055 -29.013 1.00 0.00 C ATOM 0 H LEU A 16 -0.869 9.058 -25.062 1.00 0.00 H new ATOM 0 HA LEU A 16 -3.258 9.764 -26.399 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.018 9.802 -27.324 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.821 8.085 -27.037 1.00 0.00 H new ATOM 0 HG LEU A 16 -3.064 8.966 -28.794 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.477 8.969 -30.762 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.073 10.261 -29.606 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.113 8.762 -29.638 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.429 6.881 -30.026 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -1.055 6.659 -28.917 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -2.721 6.553 -28.301 1.00 0.00 H new ATOM 239 N VAL A 17 -3.150 6.543 -25.703 1.00 0.00 N ATOM 240 CA VAL A 17 -4.021 5.389 -25.426 1.00 0.00 C ATOM 241 C VAL A 17 -5.115 5.715 -24.403 1.00 0.00 C ATOM 242 O VAL A 17 -6.287 5.445 -24.662 1.00 0.00 O ATOM 243 CB VAL A 17 -3.165 4.165 -25.035 1.00 0.00 C ATOM 244 CG1 VAL A 17 -3.900 3.109 -24.199 1.00 0.00 C ATOM 245 CG2 VAL A 17 -2.645 3.507 -26.319 1.00 0.00 C ATOM 0 H VAL A 17 -2.162 6.349 -25.541 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.560 5.135 -26.339 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.361 4.541 -24.403 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.221 2.287 -23.972 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.249 3.559 -23.269 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.753 2.730 -24.761 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.037 2.639 -26.063 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.488 3.191 -26.933 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.039 4.223 -26.875 1.00 0.00 H new ATOM 255 N ILE A 18 -4.763 6.323 -23.265 1.00 0.00 N ATOM 256 CA ILE A 18 -5.688 6.745 -22.204 1.00 0.00 C ATOM 257 C ILE A 18 -6.827 7.662 -22.700 1.00 0.00 C ATOM 258 O ILE A 18 -7.879 7.687 -22.058 1.00 0.00 O ATOM 259 CB ILE A 18 -4.872 7.293 -21.001 1.00 0.00 C ATOM 260 CG1 ILE A 18 -4.330 6.090 -20.183 1.00 0.00 C ATOM 261 CG2 ILE A 18 -5.716 8.211 -20.116 1.00 0.00 C ATOM 262 CD1 ILE A 18 -3.740 6.440 -18.809 1.00 0.00 C ATOM 0 H ILE A 18 -3.791 6.543 -23.048 1.00 0.00 H new ATOM 0 HA ILE A 18 -6.239 5.874 -21.849 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.044 7.893 -21.378 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -5.140 5.375 -20.040 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.562 5.588 -20.772 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -5.110 8.574 -19.286 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -6.071 9.058 -20.704 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.570 7.657 -19.727 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.391 5.530 -18.321 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -2.904 7.128 -18.937 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -4.506 6.911 -18.193 1.00 0.00 H new ATOM 274 N LYS A 19 -6.707 8.336 -23.857 1.00 0.00 N ATOM 275 CA LYS A 19 -7.813 9.129 -24.430 1.00 0.00 C ATOM 276 C LYS A 19 -9.096 8.307 -24.667 1.00 0.00 C ATOM 277 O LYS A 19 -10.188 8.868 -24.617 1.00 0.00 O ATOM 278 CB LYS A 19 -7.350 9.867 -25.707 1.00 0.00 C ATOM 279 CG LYS A 19 -7.671 9.111 -27.007 1.00 0.00 C ATOM 280 CD LYS A 19 -7.005 9.698 -28.252 1.00 0.00 C ATOM 281 CE LYS A 19 -7.597 8.959 -29.456 1.00 0.00 C ATOM 282 NZ LYS A 19 -6.655 8.888 -30.592 1.00 0.00 N ATOM 0 H LYS A 19 -5.854 8.348 -24.416 1.00 0.00 H new ATOM 0 HA LYS A 19 -8.086 9.876 -23.684 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -7.823 10.848 -25.741 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -6.274 10.034 -25.650 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.359 8.072 -26.897 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.751 9.106 -27.154 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.194 10.769 -28.324 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -5.924 9.567 -28.211 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -7.878 7.949 -29.157 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.510 9.462 -29.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.959 8.142 -31.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.640 9.802 -31.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.701 8.671 -30.239 1.00 0.00 H new ATOM 296 N SER A 20 -8.964 7.002 -24.953 1.00 0.00 N ATOM 297 CA SER A 20 -10.086 6.115 -25.305 1.00 0.00 C ATOM 298 C SER A 20 -9.907 4.634 -24.926 1.00 0.00 C ATOM 299 O SER A 20 -10.851 3.860 -25.070 1.00 0.00 O ATOM 300 CB SER A 20 -10.426 6.264 -26.799 1.00 0.00 C ATOM 301 OG SER A 20 -9.293 6.113 -27.634 1.00 0.00 O ATOM 0 H SER A 20 -8.062 6.526 -24.946 1.00 0.00 H new ATOM 0 HA SER A 20 -10.921 6.449 -24.689 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.176 5.522 -27.073 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.871 7.244 -26.970 1.00 0.00 H new ATOM 0 HG SER A 20 -8.923 5.212 -27.523 1.00 0.00 H new ATOM 307 N GLY A 21 -8.742 4.226 -24.410 1.00 0.00 N ATOM 308 CA GLY A 21 -8.495 2.890 -23.869 1.00 0.00 C ATOM 309 C GLY A 21 -8.839 2.759 -22.383 1.00 0.00 C ATOM 310 O GLY A 21 -9.003 3.745 -21.665 1.00 0.00 O ATOM 0 H GLY A 21 -7.925 4.834 -24.357 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -9.079 2.164 -24.434 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -7.445 2.636 -24.014 1.00 0.00 H new ATOM 314 N LYS A 22 -8.922 1.511 -21.911 1.00 0.00 N ATOM 315 CA LYS A 22 -9.309 1.159 -20.539 1.00 0.00 C ATOM 316 C LYS A 22 -8.075 0.998 -19.652 1.00 0.00 C ATOM 317 O LYS A 22 -7.301 0.058 -19.846 1.00 0.00 O ATOM 318 CB LYS A 22 -10.138 -0.134 -20.549 1.00 0.00 C ATOM 319 CG LYS A 22 -11.561 0.082 -21.098 1.00 0.00 C ATOM 320 CD LYS A 22 -12.284 -1.249 -21.346 1.00 0.00 C ATOM 321 CE LYS A 22 -12.495 -2.063 -20.062 1.00 0.00 C ATOM 322 NZ LYS A 22 -12.683 -3.497 -20.371 1.00 0.00 N ATOM 0 H LYS A 22 -8.717 0.695 -22.487 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.915 1.966 -20.128 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.628 -0.884 -21.154 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -10.199 -0.530 -19.535 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -12.136 0.682 -20.392 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -11.510 0.647 -22.029 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -13.251 -1.051 -21.807 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -11.708 -1.843 -22.056 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.636 -1.939 -19.403 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -13.366 -1.685 -19.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -13.007 -3.996 -19.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -13.394 -3.600 -21.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.781 -3.905 -20.689 1.00 0.00 H new ATOM 336 N TYR A 23 -7.906 1.899 -18.679 1.00 0.00 N ATOM 337 CA TYR A 23 -6.778 1.918 -17.746 1.00 0.00 C ATOM 338 C TYR A 23 -7.198 1.985 -16.262 1.00 0.00 C ATOM 339 O TYR A 23 -8.374 2.131 -15.937 1.00 0.00 O ATOM 340 CB TYR A 23 -5.904 3.123 -18.119 1.00 0.00 C ATOM 341 CG TYR A 23 -6.563 4.453 -17.814 1.00 0.00 C ATOM 342 CD1 TYR A 23 -7.505 5.012 -18.701 1.00 0.00 C ATOM 343 CD2 TYR A 23 -6.254 5.112 -16.611 1.00 0.00 C ATOM 344 CE1 TYR A 23 -8.154 6.213 -18.371 1.00 0.00 C ATOM 345 CE2 TYR A 23 -6.896 6.319 -16.284 1.00 0.00 C ATOM 346 CZ TYR A 23 -7.852 6.873 -17.163 1.00 0.00 C ATOM 347 OH TYR A 23 -8.465 8.049 -16.861 1.00 0.00 O ATOM 0 H TYR A 23 -8.570 2.656 -18.515 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.233 0.979 -17.839 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.959 3.060 -17.579 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.667 3.077 -19.182 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.728 4.517 -19.635 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.523 4.690 -15.937 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -8.887 6.632 -19.045 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -6.658 6.823 -15.359 1.00 0.00 H new ATOM 0 HH TYR A 23 -8.145 8.371 -15.992 1.00 0.00 H new ATOM 357 N THR A 24 -6.213 1.894 -15.358 1.00 0.00 N ATOM 358 CA THR A 24 -6.353 2.039 -13.897 1.00 0.00 C ATOM 359 C THR A 24 -5.076 2.652 -13.283 1.00 0.00 C ATOM 360 O THR A 24 -3.986 2.445 -13.827 1.00 0.00 O ATOM 361 CB THR A 24 -6.714 0.663 -13.303 1.00 0.00 C ATOM 362 OG1 THR A 24 -7.026 0.742 -11.936 1.00 0.00 O ATOM 363 CG2 THR A 24 -5.628 -0.397 -13.485 1.00 0.00 C ATOM 0 H THR A 24 -5.249 1.708 -15.636 1.00 0.00 H new ATOM 0 HA THR A 24 -7.157 2.733 -13.654 1.00 0.00 H new ATOM 0 HB THR A 24 -7.591 0.353 -13.872 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.457 -0.090 -11.650 1.00 0.00 H new ATOM 0 HG21 THR A 24 -5.958 -1.336 -13.040 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.439 -0.545 -14.548 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.711 -0.067 -12.996 1.00 0.00 H new ATOM 371 N LEU A 25 -5.200 3.421 -12.184 1.00 0.00 N ATOM 372 CA LEU A 25 -4.150 4.302 -11.626 1.00 0.00 C ATOM 373 C LEU A 25 -4.040 4.241 -10.098 1.00 0.00 C ATOM 374 O LEU A 25 -5.033 4.453 -9.396 1.00 0.00 O ATOM 375 CB LEU A 25 -4.433 5.780 -11.971 1.00 0.00 C ATOM 376 CG LEU A 25 -4.473 6.144 -13.456 1.00 0.00 C ATOM 377 CD1 LEU A 25 -4.753 7.642 -13.609 1.00 0.00 C ATOM 378 CD2 LEU A 25 -3.151 5.834 -14.148 1.00 0.00 C ATOM 0 H LEU A 25 -6.062 3.448 -11.640 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.224 3.939 -12.073 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.390 6.056 -11.527 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.671 6.393 -11.491 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.261 5.549 -13.918 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.781 7.901 -14.668 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.713 7.881 -13.151 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.964 8.212 -13.117 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.219 6.106 -15.201 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.351 6.405 -13.677 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.936 4.769 -14.062 1.00 0.00 H new ATOM 390 N GLY A 26 -2.822 4.048 -9.581 1.00 0.00 N ATOM 391 CA GLY A 26 -2.545 4.003 -8.141 1.00 0.00 C ATOM 392 C GLY A 26 -2.594 2.572 -7.597 1.00 0.00 C ATOM 393 O GLY A 26 -3.339 1.737 -8.105 1.00 0.00 O ATOM 0 H GLY A 26 -1.991 3.917 -10.157 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.562 4.432 -7.946 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.272 4.618 -7.611 1.00 0.00 H new ATOM 397 N TYR A 27 -1.797 2.285 -6.559 1.00 0.00 N ATOM 398 CA TYR A 27 -1.470 0.911 -6.155 1.00 0.00 C ATOM 399 C TYR A 27 -2.708 0.058 -5.842 1.00 0.00 C ATOM 400 O TYR A 27 -2.893 -1.007 -6.431 1.00 0.00 O ATOM 401 CB TYR A 27 -0.483 0.920 -4.981 1.00 0.00 C ATOM 402 CG TYR A 27 0.153 -0.438 -4.770 1.00 0.00 C ATOM 403 CD1 TYR A 27 1.321 -0.770 -5.478 1.00 0.00 C ATOM 404 CD2 TYR A 27 -0.450 -1.395 -3.929 1.00 0.00 C ATOM 405 CE1 TYR A 27 1.877 -2.047 -5.376 1.00 0.00 C ATOM 406 CE2 TYR A 27 0.107 -2.684 -3.821 1.00 0.00 C ATOM 407 CZ TYR A 27 1.260 -3.017 -4.565 1.00 0.00 C ATOM 408 OH TYR A 27 1.815 -4.250 -4.453 1.00 0.00 O ATOM 0 H TYR A 27 -1.361 2.999 -5.976 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.994 0.435 -7.012 1.00 0.00 H new ATOM 0 HB2 TYR A 27 0.295 1.661 -5.166 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -1.002 1.223 -4.072 1.00 0.00 H new ATOM 0 HD1 TYR A 27 1.793 -0.030 -6.107 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -1.337 -1.140 -3.369 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.779 -2.289 -5.919 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -0.347 -3.417 -3.170 1.00 0.00 H new ATOM 0 HH TYR A 27 2.787 -4.182 -4.558 1.00 0.00 H new ATOM 418 N LYS A 28 -3.582 0.552 -4.951 1.00 0.00 N ATOM 419 CA LYS A 28 -4.863 -0.078 -4.609 1.00 0.00 C ATOM 420 C LYS A 28 -5.708 -0.340 -5.860 1.00 0.00 C ATOM 421 O LYS A 28 -6.219 -1.444 -6.028 1.00 0.00 O ATOM 422 CB LYS A 28 -5.599 0.798 -3.580 1.00 0.00 C ATOM 423 CG LYS A 28 -6.908 0.154 -3.089 1.00 0.00 C ATOM 424 CD LYS A 28 -7.588 0.955 -1.967 1.00 0.00 C ATOM 425 CE LYS A 28 -8.119 2.307 -2.461 1.00 0.00 C ATOM 426 NZ LYS A 28 -8.826 3.043 -1.384 1.00 0.00 N ATOM 0 H LYS A 28 -3.413 1.418 -4.439 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.678 -1.054 -4.160 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.945 0.979 -2.727 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.819 1.768 -4.025 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.597 0.059 -3.928 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.699 -0.855 -2.732 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -8.411 0.372 -1.554 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.877 1.120 -1.158 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.290 2.911 -2.831 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.797 2.148 -3.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.171 3.952 -1.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.631 2.477 -1.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.171 3.216 -0.595 1.00 0.00 H new ATOM 440 N SER A 29 -5.822 0.661 -6.740 1.00 0.00 N ATOM 441 CA SER A 29 -6.574 0.615 -7.992 1.00 0.00 C ATOM 442 C SER A 29 -6.081 -0.490 -8.915 1.00 0.00 C ATOM 443 O SER A 29 -6.901 -1.297 -9.365 1.00 0.00 O ATOM 444 CB SER A 29 -6.444 1.930 -8.755 1.00 0.00 C ATOM 445 OG SER A 29 -6.501 3.050 -7.900 1.00 0.00 O ATOM 0 H SER A 29 -5.372 1.564 -6.589 1.00 0.00 H new ATOM 0 HA SER A 29 -7.611 0.427 -7.712 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.501 1.940 -9.301 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.241 1.999 -9.495 1.00 0.00 H new ATOM 0 HG SER A 29 -6.214 3.850 -8.389 1.00 0.00 H new ATOM 451 N THR A 30 -4.769 -0.532 -9.211 1.00 0.00 N ATOM 452 CA THR A 30 -4.204 -1.629 -10.001 1.00 0.00 C ATOM 453 C THR A 30 -4.425 -2.964 -9.285 1.00 0.00 C ATOM 454 O THR A 30 -5.152 -3.775 -9.844 1.00 0.00 O ATOM 455 CB THR A 30 -2.776 -1.364 -10.507 1.00 0.00 C ATOM 456 OG1 THR A 30 -2.329 -2.482 -11.228 1.00 0.00 O ATOM 457 CG2 THR A 30 -1.743 -1.053 -9.435 1.00 0.00 C ATOM 0 H THR A 30 -4.093 0.173 -8.918 1.00 0.00 H new ATOM 0 HA THR A 30 -4.755 -1.697 -10.939 1.00 0.00 H new ATOM 0 HB THR A 30 -2.857 -0.465 -11.118 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.252 -2.250 -12.177 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.773 -0.883 -9.903 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.044 -0.159 -8.888 1.00 0.00 H new ATOM 0 HG23 THR A 30 -1.671 -1.893 -8.745 1.00 0.00 H new ATOM 465 N VAL A 31 -3.984 -3.173 -8.033 1.00 0.00 N ATOM 466 CA VAL A 31 -4.195 -4.448 -7.303 1.00 0.00 C ATOM 467 C VAL A 31 -5.646 -4.939 -7.374 1.00 0.00 C ATOM 468 O VAL A 31 -5.881 -6.075 -7.786 1.00 0.00 O ATOM 469 CB VAL A 31 -3.701 -4.361 -5.845 1.00 0.00 C ATOM 470 CG1 VAL A 31 -4.097 -5.595 -5.016 1.00 0.00 C ATOM 471 CG2 VAL A 31 -2.173 -4.254 -5.822 1.00 0.00 C ATOM 0 H VAL A 31 -3.474 -2.472 -7.496 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.588 -5.195 -7.814 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.170 -3.480 -5.407 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.725 -5.484 -3.997 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.183 -5.688 -4.998 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.664 -6.489 -5.465 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.828 -4.193 -4.790 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.739 -5.134 -6.298 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.863 -3.359 -6.362 1.00 0.00 H new ATOM 481 N LYS A 32 -6.620 -4.077 -7.039 1.00 0.00 N ATOM 482 CA LYS A 32 -8.058 -4.314 -7.227 1.00 0.00 C ATOM 483 C LYS A 32 -8.361 -4.779 -8.657 1.00 0.00 C ATOM 484 O LYS A 32 -8.945 -5.839 -8.850 1.00 0.00 O ATOM 485 CB LYS A 32 -8.810 -3.019 -6.863 1.00 0.00 C ATOM 486 CG LYS A 32 -10.325 -3.033 -7.155 1.00 0.00 C ATOM 487 CD LYS A 32 -10.889 -1.643 -7.511 1.00 0.00 C ATOM 488 CE LYS A 32 -10.310 -1.045 -8.809 1.00 0.00 C ATOM 489 NZ LYS A 32 -10.765 -1.747 -10.034 1.00 0.00 N ATOM 0 H LYS A 32 -6.421 -3.170 -6.618 1.00 0.00 H new ATOM 0 HA LYS A 32 -8.395 -5.118 -6.573 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.663 -2.819 -5.802 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -8.359 -2.191 -7.409 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -10.523 -3.720 -7.978 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.853 -3.419 -6.283 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.972 -1.716 -7.608 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.688 -0.959 -6.687 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -10.593 0.005 -8.874 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.222 -1.079 -8.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -9.967 -1.846 -10.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.124 -2.690 -9.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.523 -1.198 -10.487 1.00 0.00 H new ATOM 503 N SER A 33 -7.988 -3.979 -9.655 1.00 0.00 N ATOM 504 CA SER A 33 -8.292 -4.209 -11.072 1.00 0.00 C ATOM 505 C SER A 33 -7.680 -5.512 -11.607 1.00 0.00 C ATOM 506 O SER A 33 -8.370 -6.266 -12.288 1.00 0.00 O ATOM 507 CB SER A 33 -7.814 -3.025 -11.921 1.00 0.00 C ATOM 508 OG SER A 33 -8.249 -1.781 -11.384 1.00 0.00 O ATOM 0 H SER A 33 -7.450 -3.127 -9.498 1.00 0.00 H new ATOM 0 HA SER A 33 -9.375 -4.304 -11.147 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.726 -3.035 -11.979 1.00 0.00 H new ATOM 0 HB3 SER A 33 -8.189 -3.133 -12.939 1.00 0.00 H new ATOM 0 HG SER A 33 -7.796 -1.617 -10.530 1.00 0.00 H new ATOM 514 N LEU A 34 -6.411 -5.793 -11.274 1.00 0.00 N ATOM 515 CA LEU A 34 -5.706 -7.023 -11.649 1.00 0.00 C ATOM 516 C LEU A 34 -6.342 -8.258 -10.987 1.00 0.00 C ATOM 517 O LEU A 34 -6.482 -9.294 -11.632 1.00 0.00 O ATOM 518 CB LEU A 34 -4.212 -6.930 -11.275 1.00 0.00 C ATOM 519 CG LEU A 34 -3.416 -5.714 -11.793 1.00 0.00 C ATOM 520 CD1 LEU A 34 -1.972 -5.764 -11.298 1.00 0.00 C ATOM 521 CD2 LEU A 34 -3.428 -5.577 -13.302 1.00 0.00 C ATOM 0 H LEU A 34 -5.836 -5.155 -10.724 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.792 -7.135 -12.730 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.137 -6.941 -10.188 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.719 -7.832 -11.637 1.00 0.00 H new ATOM 0 HG LEU A 34 -3.922 -4.837 -11.390 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.428 -4.898 -11.675 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.960 -5.754 -10.208 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.495 -6.676 -11.658 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.849 -4.701 -13.592 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.989 -6.468 -13.752 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.455 -5.464 -13.649 1.00 0.00 H new ATOM 533 N ARG A 35 -6.763 -8.147 -9.714 1.00 0.00 N ATOM 534 CA ARG A 35 -7.546 -9.180 -9.018 1.00 0.00 C ATOM 535 C ARG A 35 -8.945 -9.367 -9.621 1.00 0.00 C ATOM 536 O ARG A 35 -9.435 -10.492 -9.651 1.00 0.00 O ATOM 537 CB ARG A 35 -7.638 -8.847 -7.519 1.00 0.00 C ATOM 538 CG ARG A 35 -6.328 -9.146 -6.768 1.00 0.00 C ATOM 539 CD ARG A 35 -6.338 -8.475 -5.390 1.00 0.00 C ATOM 540 NE ARG A 35 -5.289 -9.007 -4.499 1.00 0.00 N ATOM 541 CZ ARG A 35 -5.400 -9.986 -3.609 1.00 0.00 C ATOM 542 NH1 ARG A 35 -6.521 -10.642 -3.420 1.00 0.00 N ATOM 543 NH2 ARG A 35 -4.360 -10.329 -2.889 1.00 0.00 N ATOM 0 H ARG A 35 -6.567 -7.330 -9.136 1.00 0.00 H new ATOM 0 HA ARG A 35 -7.024 -10.128 -9.147 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -7.890 -7.793 -7.399 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -8.449 -9.421 -7.071 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -6.204 -10.223 -6.654 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.478 -8.787 -7.348 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.198 -7.401 -5.511 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.313 -8.619 -4.925 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.370 -8.571 -4.576 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -7.349 -10.406 -3.967 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.564 -11.388 -2.726 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.471 -9.845 -3.014 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -4.440 -11.080 -2.204 1.00 0.00 H new ATOM 557 N GLN A 36 -9.590 -8.292 -10.093 1.00 0.00 N ATOM 558 CA GLN A 36 -10.909 -8.339 -10.729 1.00 0.00 C ATOM 559 C GLN A 36 -10.900 -8.934 -12.144 1.00 0.00 C ATOM 560 O GLN A 36 -11.843 -9.649 -12.480 1.00 0.00 O ATOM 561 CB GLN A 36 -11.527 -6.932 -10.795 1.00 0.00 C ATOM 562 CG GLN A 36 -12.124 -6.480 -9.457 1.00 0.00 C ATOM 563 CD GLN A 36 -12.730 -5.085 -9.577 1.00 0.00 C ATOM 564 OE1 GLN A 36 -12.060 -4.109 -9.899 1.00 0.00 O ATOM 565 NE2 GLN A 36 -14.017 -4.933 -9.325 1.00 0.00 N ATOM 0 H GLN A 36 -9.201 -7.350 -10.042 1.00 0.00 H new ATOM 0 HA GLN A 36 -11.506 -9.001 -10.101 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -10.763 -6.219 -11.106 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -12.305 -6.918 -11.558 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -12.889 -7.187 -9.138 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -11.350 -6.480 -8.690 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -14.583 -5.738 -9.057 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -14.446 -4.010 -9.399 1.00 0.00 H new ATOM 574 N GLY A 37 -9.911 -8.621 -12.995 1.00 0.00 N ATOM 575 CA GLY A 37 -10.016 -8.992 -14.407 1.00 0.00 C ATOM 576 C GLY A 37 -8.792 -8.737 -15.289 1.00 0.00 C ATOM 577 O GLY A 37 -7.692 -8.428 -14.831 1.00 0.00 O ATOM 0 H GLY A 37 -9.056 -8.127 -12.738 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.256 -10.054 -14.460 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.860 -8.453 -14.836 1.00 0.00 H new ATOM 581 N LYS A 38 -9.010 -8.936 -16.595 1.00 0.00 N ATOM 582 CA LYS A 38 -7.995 -8.951 -17.650 1.00 0.00 C ATOM 583 C LYS A 38 -7.335 -7.581 -17.865 1.00 0.00 C ATOM 584 O LYS A 38 -7.744 -6.814 -18.737 1.00 0.00 O ATOM 585 CB LYS A 38 -8.620 -9.505 -18.951 1.00 0.00 C ATOM 586 CG LYS A 38 -7.569 -10.094 -19.912 1.00 0.00 C ATOM 587 CD LYS A 38 -7.761 -9.728 -21.396 1.00 0.00 C ATOM 588 CE LYS A 38 -6.930 -8.514 -21.841 1.00 0.00 C ATOM 589 NZ LYS A 38 -7.503 -7.225 -21.402 1.00 0.00 N ATOM 0 H LYS A 38 -9.948 -9.099 -16.961 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.186 -9.610 -17.334 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.349 -10.276 -18.700 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.162 -8.707 -19.457 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -6.582 -9.757 -19.596 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -7.581 -11.180 -19.817 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.493 -10.587 -22.011 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.816 -9.522 -21.578 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.919 -8.609 -21.445 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.848 -8.517 -22.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.807 -6.467 -21.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.360 -7.020 -21.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.746 -7.279 -20.392 1.00 0.00 H new ATOM 603 N SER A 39 -6.249 -7.298 -17.150 1.00 0.00 N ATOM 604 CA SER A 39 -5.207 -6.396 -17.654 1.00 0.00 C ATOM 605 C SER A 39 -4.525 -6.977 -18.904 1.00 0.00 C ATOM 606 O SER A 39 -4.735 -8.139 -19.256 1.00 0.00 O ATOM 607 CB SER A 39 -4.185 -6.125 -16.552 1.00 0.00 C ATOM 608 OG SER A 39 -3.582 -7.327 -16.114 1.00 0.00 O ATOM 0 H SER A 39 -6.064 -7.677 -16.221 1.00 0.00 H new ATOM 0 HA SER A 39 -5.672 -5.454 -17.945 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.419 -5.443 -16.921 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.673 -5.631 -15.712 1.00 0.00 H new ATOM 0 HG SER A 39 -2.707 -7.430 -16.544 1.00 0.00 H new ATOM 614 N LYS A 40 -3.669 -6.190 -19.568 1.00 0.00 N ATOM 615 CA LYS A 40 -2.714 -6.718 -20.549 1.00 0.00 C ATOM 616 C LYS A 40 -1.295 -6.167 -20.417 1.00 0.00 C ATOM 617 O LYS A 40 -0.350 -6.870 -20.792 1.00 0.00 O ATOM 618 CB LYS A 40 -3.310 -6.510 -21.951 1.00 0.00 C ATOM 619 CG LYS A 40 -2.617 -7.309 -23.065 1.00 0.00 C ATOM 620 CD LYS A 40 -2.763 -8.839 -22.934 1.00 0.00 C ATOM 621 CE LYS A 40 -1.413 -9.539 -23.119 1.00 0.00 C ATOM 622 NZ LYS A 40 -0.563 -9.414 -21.915 1.00 0.00 N ATOM 0 H LYS A 40 -3.619 -5.179 -19.442 1.00 0.00 H new ATOM 0 HA LYS A 40 -2.578 -7.782 -20.354 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.365 -6.784 -21.927 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.262 -5.450 -22.198 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -3.025 -6.998 -24.027 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.557 -7.056 -23.072 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.173 -9.086 -21.955 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.471 -9.205 -23.678 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.577 -10.593 -23.341 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.895 -9.110 -23.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.388 -9.779 -22.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.497 -8.414 -21.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.982 -9.961 -21.136 1.00 0.00 H new ATOM 636 N LEU A 41 -1.141 -4.979 -19.828 1.00 0.00 N ATOM 637 CA LEU A 41 0.130 -4.299 -19.576 1.00 0.00 C ATOM 638 C LEU A 41 0.038 -3.562 -18.228 1.00 0.00 C ATOM 639 O LEU A 41 -0.922 -2.820 -18.017 1.00 0.00 O ATOM 640 CB LEU A 41 0.362 -3.397 -20.802 1.00 0.00 C ATOM 641 CG LEU A 41 1.448 -2.311 -20.759 1.00 0.00 C ATOM 642 CD1 LEU A 41 1.006 -1.092 -19.954 1.00 0.00 C ATOM 643 CD2 LEU A 41 2.807 -2.832 -20.287 1.00 0.00 C ATOM 0 H LEU A 41 -1.940 -4.439 -19.497 1.00 0.00 H new ATOM 0 HA LEU A 41 0.989 -4.962 -19.474 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.587 -4.048 -21.646 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.583 -2.902 -21.025 1.00 0.00 H new ATOM 0 HG LEU A 41 1.586 -1.993 -21.792 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.804 -0.350 -19.950 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.113 -0.662 -20.406 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.785 -1.393 -18.930 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.528 -2.014 -20.280 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.711 -3.240 -19.281 1.00 0.00 H new ATOM 0 HD23 LEU A 41 3.152 -3.614 -20.964 1.00 0.00 H new ATOM 655 N ILE A 42 1.017 -3.742 -17.325 1.00 0.00 N ATOM 656 CA ILE A 42 1.186 -2.878 -16.147 1.00 0.00 C ATOM 657 C ILE A 42 2.481 -2.060 -16.235 1.00 0.00 C ATOM 658 O ILE A 42 3.475 -2.517 -16.804 1.00 0.00 O ATOM 659 CB ILE A 42 1.074 -3.643 -14.806 1.00 0.00 C ATOM 660 CG1 ILE A 42 2.277 -4.544 -14.467 1.00 0.00 C ATOM 661 CG2 ILE A 42 -0.217 -4.477 -14.701 1.00 0.00 C ATOM 662 CD1 ILE A 42 2.288 -4.915 -12.981 1.00 0.00 C ATOM 0 H ILE A 42 1.710 -4.487 -17.392 1.00 0.00 H new ATOM 0 HA ILE A 42 0.349 -2.179 -16.157 1.00 0.00 H new ATOM 0 HB ILE A 42 1.055 -2.839 -14.070 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.238 -5.451 -15.071 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.204 -4.030 -14.723 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.241 -4.991 -13.740 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.083 -3.819 -14.782 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.242 -5.211 -15.506 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.148 -5.551 -12.771 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.352 -4.008 -12.380 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.372 -5.450 -12.733 1.00 0.00 H new ATOM 674 N ILE A 43 2.477 -0.868 -15.624 1.00 0.00 N ATOM 675 CA ILE A 43 3.637 0.018 -15.515 1.00 0.00 C ATOM 676 C ILE A 43 3.957 0.269 -14.041 1.00 0.00 C ATOM 677 O ILE A 43 3.059 0.621 -13.269 1.00 0.00 O ATOM 678 CB ILE A 43 3.401 1.393 -16.182 1.00 0.00 C ATOM 679 CG1 ILE A 43 2.753 1.404 -17.581 1.00 0.00 C ATOM 680 CG2 ILE A 43 4.726 2.178 -16.193 1.00 0.00 C ATOM 681 CD1 ILE A 43 3.572 0.747 -18.691 1.00 0.00 C ATOM 0 H ILE A 43 1.642 -0.485 -15.180 1.00 0.00 H new ATOM 0 HA ILE A 43 4.459 -0.482 -16.027 1.00 0.00 H new ATOM 0 HB ILE A 43 2.641 1.870 -15.563 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.788 0.901 -17.519 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.556 2.438 -17.863 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.569 3.150 -16.662 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.073 2.321 -15.170 1.00 0.00 H new ATOM 0 HG23 ILE A 43 5.475 1.620 -16.756 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.026 0.810 -19.632 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.528 1.262 -18.791 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.748 -0.300 -18.443 1.00 0.00 H new ATOM 693 N ILE A 44 5.244 0.191 -13.683 1.00 0.00 N ATOM 694 CA ILE A 44 5.759 0.718 -12.416 1.00 0.00 C ATOM 695 C ILE A 44 6.825 1.783 -12.712 1.00 0.00 C ATOM 696 O ILE A 44 8.012 1.485 -12.866 1.00 0.00 O ATOM 697 CB ILE A 44 6.216 -0.404 -11.453 1.00 0.00 C ATOM 698 CG1 ILE A 44 5.093 -1.432 -11.161 1.00 0.00 C ATOM 699 CG2 ILE A 44 6.660 0.167 -10.102 1.00 0.00 C ATOM 700 CD1 ILE A 44 5.423 -2.805 -11.735 1.00 0.00 C ATOM 0 H ILE A 44 5.960 -0.241 -14.267 1.00 0.00 H new ATOM 0 HA ILE A 44 4.955 1.210 -11.868 1.00 0.00 H new ATOM 0 HB ILE A 44 7.045 -0.897 -11.961 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.945 -1.514 -10.084 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.154 -1.076 -11.585 1.00 0.00 H new ATOM 0 HG21 ILE A 44 6.975 -0.647 -9.449 1.00 0.00 H new ATOM 0 HG22 ILE A 44 7.493 0.854 -10.253 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.829 0.701 -9.642 1.00 0.00 H new ATOM 0 HD11 ILE A 44 4.612 -3.498 -11.510 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.545 -2.728 -12.815 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.348 -3.172 -11.291 1.00 0.00 H new ATOM 712 N ALA A 45 6.366 3.039 -12.783 1.00 0.00 N ATOM 713 CA ALA A 45 7.149 4.272 -12.753 1.00 0.00 C ATOM 714 C ALA A 45 6.906 4.996 -11.416 1.00 0.00 C ATOM 715 O ALA A 45 6.480 6.154 -11.357 1.00 0.00 O ATOM 716 CB ALA A 45 6.803 5.142 -13.969 1.00 0.00 C ATOM 0 H ALA A 45 5.368 3.229 -12.869 1.00 0.00 H new ATOM 0 HA ALA A 45 8.214 4.048 -12.817 1.00 0.00 H new ATOM 0 HB1 ALA A 45 7.391 6.059 -13.939 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.030 4.595 -14.884 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.742 5.390 -13.949 1.00 0.00 H new ATOM 722 N ALA A 46 7.145 4.276 -10.320 1.00 0.00 N ATOM 723 CA ALA A 46 6.919 4.769 -8.973 1.00 0.00 C ATOM 724 C ALA A 46 7.909 4.168 -7.976 1.00 0.00 C ATOM 725 O ALA A 46 8.472 3.090 -8.194 1.00 0.00 O ATOM 726 CB ALA A 46 5.469 4.456 -8.574 1.00 0.00 C ATOM 0 H ALA A 46 7.506 3.322 -10.350 1.00 0.00 H new ATOM 0 HA ALA A 46 7.081 5.847 -8.955 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.283 4.820 -7.564 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.787 4.947 -9.268 1.00 0.00 H new ATOM 0 HB3 ALA A 46 5.307 3.379 -8.607 1.00 0.00 H new ATOM 732 N ASN A 47 8.049 4.866 -6.850 1.00 0.00 N ATOM 733 CA ASN A 47 8.774 4.519 -5.626 1.00 0.00 C ATOM 734 C ASN A 47 8.135 3.317 -4.879 1.00 0.00 C ATOM 735 O ASN A 47 7.758 3.406 -3.708 1.00 0.00 O ATOM 736 CB ASN A 47 8.856 5.812 -4.791 1.00 0.00 C ATOM 737 CG ASN A 47 7.504 6.505 -4.668 1.00 0.00 C ATOM 738 OD1 ASN A 47 7.178 7.407 -5.434 1.00 0.00 O ATOM 739 ND2 ASN A 47 6.660 6.027 -3.780 1.00 0.00 N ATOM 0 H ASN A 47 7.613 5.784 -6.763 1.00 0.00 H new ATOM 0 HA ASN A 47 9.780 4.163 -5.846 1.00 0.00 H new ATOM 0 HB2 ASN A 47 9.233 5.576 -3.796 1.00 0.00 H new ATOM 0 HB3 ASN A 47 9.572 6.494 -5.250 1.00 0.00 H new ATOM 0 HD21 ASN A 47 5.715 6.406 -3.719 1.00 0.00 H new ATOM 0 HD22 ASN A 47 6.950 5.277 -3.152 1.00 0.00 H new ATOM 746 N THR A 48 7.996 2.205 -5.602 1.00 0.00 N ATOM 747 CA THR A 48 7.305 0.954 -5.271 1.00 0.00 C ATOM 748 C THR A 48 8.338 -0.146 -4.946 1.00 0.00 C ATOM 749 O THR A 48 8.943 -0.681 -5.877 1.00 0.00 O ATOM 750 CB THR A 48 6.416 0.575 -6.469 1.00 0.00 C ATOM 751 OG1 THR A 48 5.399 1.537 -6.622 1.00 0.00 O ATOM 752 CG2 THR A 48 5.713 -0.771 -6.343 1.00 0.00 C ATOM 0 H THR A 48 8.408 2.151 -6.533 1.00 0.00 H new ATOM 0 HA THR A 48 6.678 1.072 -4.387 1.00 0.00 H new ATOM 0 HB THR A 48 7.099 0.523 -7.317 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.834 1.297 -7.386 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.110 -0.952 -7.233 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.456 -1.562 -6.241 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.069 -0.764 -5.464 1.00 0.00 H new ATOM 760 N PRO A 49 8.594 -0.474 -3.661 1.00 0.00 N ATOM 761 CA PRO A 49 9.724 -1.316 -3.247 1.00 0.00 C ATOM 762 C PRO A 49 9.554 -2.813 -3.581 1.00 0.00 C ATOM 763 O PRO A 49 8.502 -3.252 -4.036 1.00 0.00 O ATOM 764 CB PRO A 49 9.872 -1.059 -1.740 1.00 0.00 C ATOM 765 CG PRO A 49 8.455 -0.709 -1.295 1.00 0.00 C ATOM 766 CD PRO A 49 7.890 0.044 -2.498 1.00 0.00 C ATOM 0 HA PRO A 49 10.624 -1.052 -3.802 1.00 0.00 H new ATOM 0 HB2 PRO A 49 10.250 -1.938 -1.219 1.00 0.00 H new ATOM 0 HB3 PRO A 49 10.568 -0.245 -1.539 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.872 -1.601 -1.068 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.456 -0.091 -0.397 1.00 0.00 H new ATOM 0 HD2 PRO A 49 6.816 -0.116 -2.589 1.00 0.00 H new ATOM 0 HD3 PRO A 49 8.045 1.118 -2.394 1.00 0.00 H new ATOM 774 N VAL A 50 10.607 -3.607 -3.335 1.00 0.00 N ATOM 775 CA VAL A 50 10.808 -4.978 -3.853 1.00 0.00 C ATOM 776 C VAL A 50 9.628 -5.935 -3.616 1.00 0.00 C ATOM 777 O VAL A 50 9.241 -6.653 -4.536 1.00 0.00 O ATOM 778 CB VAL A 50 12.120 -5.583 -3.303 1.00 0.00 C ATOM 779 CG1 VAL A 50 12.406 -6.971 -3.899 1.00 0.00 C ATOM 780 CG2 VAL A 50 13.331 -4.689 -3.618 1.00 0.00 C ATOM 0 H VAL A 50 11.379 -3.301 -2.743 1.00 0.00 H new ATOM 0 HA VAL A 50 10.877 -4.869 -4.935 1.00 0.00 H new ATOM 0 HB VAL A 50 11.978 -5.662 -2.225 1.00 0.00 H new ATOM 0 HG11 VAL A 50 13.337 -7.360 -3.486 1.00 0.00 H new ATOM 0 HG12 VAL A 50 11.589 -7.648 -3.652 1.00 0.00 H new ATOM 0 HG13 VAL A 50 12.496 -6.890 -4.982 1.00 0.00 H new ATOM 0 HG21 VAL A 50 14.235 -5.146 -3.216 1.00 0.00 H new ATOM 0 HG22 VAL A 50 13.430 -4.578 -4.698 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.187 -3.709 -3.164 1.00 0.00 H new ATOM 790 N LEU A 51 9.032 -5.969 -2.419 1.00 0.00 N ATOM 791 CA LEU A 51 7.850 -6.807 -2.160 1.00 0.00 C ATOM 792 C LEU A 51 6.598 -6.263 -2.873 1.00 0.00 C ATOM 793 O LEU A 51 5.801 -7.018 -3.423 1.00 0.00 O ATOM 794 CB LEU A 51 7.602 -6.909 -0.643 1.00 0.00 C ATOM 795 CG LEU A 51 8.758 -7.538 0.163 1.00 0.00 C ATOM 796 CD1 LEU A 51 8.403 -7.524 1.653 1.00 0.00 C ATOM 797 CD2 LEU A 51 9.048 -8.983 -0.256 1.00 0.00 C ATOM 0 H LEU A 51 9.346 -5.428 -1.614 1.00 0.00 H new ATOM 0 HA LEU A 51 8.048 -7.801 -2.561 1.00 0.00 H new ATOM 0 HB2 LEU A 51 7.408 -5.910 -0.253 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.700 -7.497 -0.476 1.00 0.00 H new ATOM 0 HG LEU A 51 9.650 -6.945 -0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.218 -7.968 2.225 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.247 -6.496 1.980 1.00 0.00 H new ATOM 0 HD13 LEU A 51 7.491 -8.098 1.815 1.00 0.00 H new ATOM 0 HD21 LEU A 51 9.869 -9.377 0.342 1.00 0.00 H new ATOM 0 HD22 LEU A 51 8.159 -9.593 -0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 51 9.322 -9.008 -1.311 1.00 0.00 H new ATOM 809 N ARG A 52 6.453 -4.936 -2.885 1.00 0.00 N ATOM 810 CA ARG A 52 5.322 -4.174 -3.417 1.00 0.00 C ATOM 811 C ARG A 52 5.239 -4.280 -4.949 1.00 0.00 C ATOM 812 O ARG A 52 4.165 -4.598 -5.490 1.00 0.00 O ATOM 813 CB ARG A 52 5.479 -2.734 -2.882 1.00 0.00 C ATOM 814 CG ARG A 52 4.159 -1.967 -2.788 1.00 0.00 C ATOM 815 CD ARG A 52 3.252 -2.219 -1.565 1.00 0.00 C ATOM 816 NE ARG A 52 3.464 -3.510 -0.868 1.00 0.00 N ATOM 817 CZ ARG A 52 2.726 -4.615 -0.933 1.00 0.00 C ATOM 818 NH1 ARG A 52 1.717 -4.764 -1.742 1.00 0.00 N ATOM 819 NH2 ARG A 52 2.992 -5.674 -0.210 1.00 0.00 N ATOM 0 H ARG A 52 7.171 -4.325 -2.497 1.00 0.00 H new ATOM 0 HA ARG A 52 4.365 -4.574 -3.083 1.00 0.00 H new ATOM 0 HB2 ARG A 52 5.939 -2.771 -1.895 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.162 -2.187 -3.532 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.390 -0.902 -2.817 1.00 0.00 H new ATOM 0 HG3 ARG A 52 3.580 -2.191 -3.684 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.404 -1.411 -0.850 1.00 0.00 H new ATOM 0 HD3 ARG A 52 2.212 -2.167 -1.889 1.00 0.00 H new ATOM 0 HE ARG A 52 4.282 -3.557 -0.260 1.00 0.00 H new ATOM 0 HH11 ARG A 52 1.454 -4.008 -2.374 1.00 0.00 H new ATOM 0 HH12 ARG A 52 1.190 -5.637 -1.744 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.787 -5.669 0.429 1.00 0.00 H new ATOM 0 HH22 ARG A 52 2.404 -6.504 -0.286 1.00 0.00 H new ATOM 833 N LYS A 53 6.384 -4.099 -5.633 1.00 0.00 N ATOM 834 CA LYS A 53 6.522 -4.372 -7.070 1.00 0.00 C ATOM 835 C LYS A 53 6.144 -5.827 -7.335 1.00 0.00 C ATOM 836 O LYS A 53 5.409 -6.101 -8.273 1.00 0.00 O ATOM 837 CB LYS A 53 7.931 -4.017 -7.637 1.00 0.00 C ATOM 838 CG LYS A 53 8.987 -5.136 -7.508 1.00 0.00 C ATOM 839 CD LYS A 53 10.302 -5.013 -8.288 1.00 0.00 C ATOM 840 CE LYS A 53 11.112 -6.335 -8.287 1.00 0.00 C ATOM 841 NZ LYS A 53 10.332 -7.551 -8.672 1.00 0.00 N ATOM 0 H LYS A 53 7.242 -3.758 -5.199 1.00 0.00 H new ATOM 0 HA LYS A 53 5.838 -3.715 -7.607 1.00 0.00 H new ATOM 0 HB2 LYS A 53 7.827 -3.756 -8.690 1.00 0.00 H new ATOM 0 HB3 LYS A 53 8.300 -3.129 -7.123 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.239 -5.230 -6.452 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.513 -6.071 -7.807 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.086 -4.722 -9.316 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.907 -4.218 -7.852 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.954 -6.229 -8.972 1.00 0.00 H new ATOM 0 HE3 LYS A 53 11.528 -6.488 -7.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.978 -8.272 -9.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.844 -7.930 -7.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.631 -7.298 -9.397 1.00 0.00 H new ATOM 855 N SER A 54 6.640 -6.750 -6.500 1.00 0.00 N ATOM 856 CA SER A 54 6.575 -8.183 -6.775 1.00 0.00 C ATOM 857 C SER A 54 5.172 -8.741 -6.543 1.00 0.00 C ATOM 858 O SER A 54 4.784 -9.687 -7.217 1.00 0.00 O ATOM 859 CB SER A 54 7.644 -8.952 -5.996 1.00 0.00 C ATOM 860 OG SER A 54 8.920 -8.398 -6.282 1.00 0.00 O ATOM 0 H SER A 54 7.096 -6.520 -5.617 1.00 0.00 H new ATOM 0 HA SER A 54 6.793 -8.324 -7.834 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.442 -8.897 -4.926 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.623 -10.007 -6.270 1.00 0.00 H new ATOM 0 HG SER A 54 9.271 -7.955 -5.481 1.00 0.00 H new ATOM 866 N GLU A 55 4.362 -8.103 -5.690 1.00 0.00 N ATOM 867 CA GLU A 55 2.911 -8.288 -5.709 1.00 0.00 C ATOM 868 C GLU A 55 2.294 -7.828 -7.039 1.00 0.00 C ATOM 869 O GLU A 55 1.563 -8.615 -7.638 1.00 0.00 O ATOM 870 CB GLU A 55 2.247 -7.575 -4.518 1.00 0.00 C ATOM 871 CG GLU A 55 1.633 -8.583 -3.540 1.00 0.00 C ATOM 872 CD GLU A 55 0.783 -7.862 -2.493 1.00 0.00 C ATOM 873 OE1 GLU A 55 1.361 -7.366 -1.494 1.00 0.00 O ATOM 874 OE2 GLU A 55 -0.438 -7.724 -2.737 1.00 0.00 O ATOM 0 H GLU A 55 4.691 -7.452 -4.977 1.00 0.00 H new ATOM 0 HA GLU A 55 2.720 -9.357 -5.615 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.986 -6.964 -3.999 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.473 -6.899 -4.881 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.019 -9.300 -4.085 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.424 -9.150 -3.048 1.00 0.00 H new ATOM 881 N LEU A 56 2.591 -6.614 -7.546 1.00 0.00 N ATOM 882 CA LEU A 56 2.089 -6.215 -8.887 1.00 0.00 C ATOM 883 C LEU A 56 2.483 -7.202 -9.987 1.00 0.00 C ATOM 884 O LEU A 56 1.668 -7.590 -10.819 1.00 0.00 O ATOM 885 CB LEU A 56 2.537 -4.812 -9.295 1.00 0.00 C ATOM 886 CG LEU A 56 2.046 -3.685 -8.385 1.00 0.00 C ATOM 887 CD1 LEU A 56 1.900 -2.424 -9.220 1.00 0.00 C ATOM 888 CD2 LEU A 56 0.678 -3.940 -7.760 1.00 0.00 C ATOM 0 H LEU A 56 3.156 -5.910 -7.070 1.00 0.00 H new ATOM 0 HA LEU A 56 1.004 -6.220 -8.784 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.626 -4.788 -9.321 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.189 -4.617 -10.309 1.00 0.00 H new ATOM 0 HG LEU A 56 2.779 -3.604 -7.583 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.550 -1.608 -8.588 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.865 -2.160 -9.652 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.180 -2.598 -10.019 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.403 -3.095 -7.130 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -0.065 -4.062 -8.548 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.717 -4.846 -7.155 1.00 0.00 H new ATOM 900 N GLU A 57 3.744 -7.605 -9.943 1.00 0.00 N ATOM 901 CA GLU A 57 4.394 -8.608 -10.791 1.00 0.00 C ATOM 902 C GLU A 57 3.644 -9.953 -10.731 1.00 0.00 C ATOM 903 O GLU A 57 3.310 -10.522 -11.771 1.00 0.00 O ATOM 904 CB GLU A 57 5.859 -8.706 -10.329 1.00 0.00 C ATOM 905 CG GLU A 57 6.921 -9.186 -11.318 1.00 0.00 C ATOM 906 CD GLU A 57 8.300 -8.842 -10.728 1.00 0.00 C ATOM 907 OE1 GLU A 57 8.739 -7.674 -10.879 1.00 0.00 O ATOM 908 OE2 GLU A 57 8.897 -9.665 -10.006 1.00 0.00 O ATOM 0 H GLU A 57 4.395 -7.212 -9.263 1.00 0.00 H new ATOM 0 HA GLU A 57 4.369 -8.319 -11.842 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.159 -7.719 -9.978 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.888 -9.373 -9.467 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.833 -10.260 -11.483 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.788 -8.703 -12.286 1.00 0.00 H new ATOM 915 N TYR A 58 3.305 -10.421 -9.521 1.00 0.00 N ATOM 916 CA TYR A 58 2.453 -11.587 -9.280 1.00 0.00 C ATOM 917 C TYR A 58 1.048 -11.411 -9.872 1.00 0.00 C ATOM 918 O TYR A 58 0.566 -12.291 -10.583 1.00 0.00 O ATOM 919 CB TYR A 58 2.376 -11.873 -7.772 1.00 0.00 C ATOM 920 CG TYR A 58 1.871 -13.259 -7.437 1.00 0.00 C ATOM 921 CD1 TYR A 58 0.490 -13.537 -7.393 1.00 0.00 C ATOM 922 CD2 TYR A 58 2.803 -14.276 -7.161 1.00 0.00 C ATOM 923 CE1 TYR A 58 0.043 -14.836 -7.085 1.00 0.00 C ATOM 924 CE2 TYR A 58 2.362 -15.578 -6.866 1.00 0.00 C ATOM 925 CZ TYR A 58 0.980 -15.861 -6.829 1.00 0.00 C ATOM 926 OH TYR A 58 0.559 -17.123 -6.544 1.00 0.00 O ATOM 0 H TYR A 58 3.628 -9.982 -8.659 1.00 0.00 H new ATOM 0 HA TYR A 58 2.904 -12.440 -9.787 1.00 0.00 H new ATOM 0 HB2 TYR A 58 3.367 -11.742 -7.336 1.00 0.00 H new ATOM 0 HB3 TYR A 58 1.723 -11.136 -7.305 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -0.225 -12.754 -7.596 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.860 -14.056 -7.176 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -1.015 -15.048 -7.045 1.00 0.00 H new ATOM 0 HE2 TYR A 58 3.080 -16.360 -6.668 1.00 0.00 H new ATOM 0 HH TYR A 58 1.336 -17.701 -6.396 1.00 0.00 H new ATOM 936 N TYR A 59 0.371 -10.288 -9.604 1.00 0.00 N ATOM 937 CA TYR A 59 -0.965 -10.049 -10.154 1.00 0.00 C ATOM 938 C TYR A 59 -0.953 -9.973 -11.690 1.00 0.00 C ATOM 939 O TYR A 59 -1.816 -10.575 -12.320 1.00 0.00 O ATOM 940 CB TYR A 59 -1.601 -8.804 -9.533 1.00 0.00 C ATOM 941 CG TYR A 59 -1.748 -8.825 -8.021 1.00 0.00 C ATOM 942 CD1 TYR A 59 -2.429 -9.888 -7.393 1.00 0.00 C ATOM 943 CD2 TYR A 59 -1.220 -7.778 -7.242 1.00 0.00 C ATOM 944 CE1 TYR A 59 -2.558 -9.916 -5.993 1.00 0.00 C ATOM 945 CE2 TYR A 59 -1.338 -7.805 -5.840 1.00 0.00 C ATOM 946 CZ TYR A 59 -2.011 -8.875 -5.212 1.00 0.00 C ATOM 947 OH TYR A 59 -2.187 -8.883 -3.861 1.00 0.00 O ATOM 0 H TYR A 59 0.725 -9.536 -9.013 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.583 -10.907 -9.888 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -1.002 -7.936 -9.810 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.588 -8.664 -9.974 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.853 -10.683 -7.989 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -0.722 -6.949 -7.723 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.076 -10.734 -5.515 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -0.915 -7.009 -5.246 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.735 -8.107 -3.468 1.00 0.00 H new ATOM 957 N ALA A 60 0.048 -9.324 -12.299 1.00 0.00 N ATOM 958 CA ALA A 60 0.287 -9.358 -13.741 1.00 0.00 C ATOM 959 C ALA A 60 0.526 -10.785 -14.270 1.00 0.00 C ATOM 960 O ALA A 60 -0.030 -11.158 -15.303 1.00 0.00 O ATOM 961 CB ALA A 60 1.473 -8.447 -14.060 1.00 0.00 C ATOM 0 H ALA A 60 0.724 -8.752 -11.792 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.609 -8.999 -14.248 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.664 -8.461 -15.133 1.00 0.00 H new ATOM 0 HB2 ALA A 60 1.244 -7.429 -13.746 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.357 -8.801 -13.529 1.00 0.00 H new ATOM 967 N MET A 61 1.317 -11.599 -13.553 1.00 0.00 N ATOM 968 CA MET A 61 1.486 -13.028 -13.835 1.00 0.00 C ATOM 969 C MET A 61 0.148 -13.784 -13.798 1.00 0.00 C ATOM 970 O MET A 61 -0.073 -14.635 -14.662 1.00 0.00 O ATOM 971 CB MET A 61 2.558 -13.617 -12.897 1.00 0.00 C ATOM 972 CG MET A 61 2.767 -15.135 -13.000 1.00 0.00 C ATOM 973 SD MET A 61 1.517 -16.210 -12.223 1.00 0.00 S ATOM 974 CE MET A 61 1.670 -15.744 -10.475 1.00 0.00 C ATOM 0 H MET A 61 1.862 -11.277 -12.753 1.00 0.00 H new ATOM 0 HA MET A 61 1.845 -13.153 -14.856 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.507 -13.123 -13.103 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.289 -13.374 -11.869 1.00 0.00 H new ATOM 0 HG2 MET A 61 2.825 -15.396 -14.057 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.735 -15.372 -12.559 1.00 0.00 H new ATOM 0 HE1 MET A 61 1.157 -16.480 -9.856 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.724 -15.708 -10.199 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.221 -14.763 -10.319 1.00 0.00 H new ATOM 984 N LEU A 62 -0.775 -13.462 -12.876 1.00 0.00 N ATOM 985 CA LEU A 62 -2.148 -13.981 -12.900 1.00 0.00 C ATOM 986 C LEU A 62 -2.924 -13.480 -14.135 1.00 0.00 C ATOM 987 O LEU A 62 -3.247 -14.285 -15.018 1.00 0.00 O ATOM 988 CB LEU A 62 -2.914 -13.663 -11.598 1.00 0.00 C ATOM 989 CG LEU A 62 -2.332 -14.251 -10.298 1.00 0.00 C ATOM 990 CD1 LEU A 62 -3.229 -13.826 -9.131 1.00 0.00 C ATOM 991 CD2 LEU A 62 -2.248 -15.780 -10.319 1.00 0.00 C ATOM 0 H LEU A 62 -0.588 -12.834 -12.094 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.069 -15.066 -12.972 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.967 -12.580 -11.489 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.937 -14.023 -11.707 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.316 -13.871 -10.191 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.833 -14.233 -8.201 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.255 -12.738 -9.069 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.239 -14.204 -9.292 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.830 -16.134 -9.377 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.246 -16.197 -10.454 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.608 -16.098 -11.142 1.00 0.00 H new ATOM 1003 N SER A 63 -3.232 -12.177 -14.210 1.00 0.00 N ATOM 1004 CA SER A 63 -4.039 -11.555 -15.267 1.00 0.00 C ATOM 1005 C SER A 63 -3.229 -11.368 -16.561 1.00 0.00 C ATOM 1006 O SER A 63 -3.001 -10.246 -17.003 1.00 0.00 O ATOM 1007 CB SER A 63 -4.669 -10.241 -14.753 1.00 0.00 C ATOM 1008 OG SER A 63 -3.710 -9.278 -14.353 1.00 0.00 O ATOM 0 H SER A 63 -2.914 -11.505 -13.512 1.00 0.00 H new ATOM 0 HA SER A 63 -4.858 -12.226 -15.526 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.295 -9.816 -15.537 1.00 0.00 H new ATOM 0 HB3 SER A 63 -5.322 -10.465 -13.910 1.00 0.00 H new ATOM 0 HG SER A 63 -3.496 -8.695 -15.111 1.00 0.00 H new ATOM 1014 N LYS A 64 -2.839 -12.467 -17.223 1.00 0.00 N ATOM 1015 CA LYS A 64 -1.596 -12.655 -18.007 1.00 0.00 C ATOM 1016 C LYS A 64 -1.095 -11.393 -18.740 1.00 0.00 C ATOM 1017 O LYS A 64 -1.469 -11.078 -19.874 1.00 0.00 O ATOM 1018 CB LYS A 64 -1.809 -13.813 -19.007 1.00 0.00 C ATOM 1019 CG LYS A 64 -2.135 -15.173 -18.365 1.00 0.00 C ATOM 1020 CD LYS A 64 -0.899 -15.862 -17.767 1.00 0.00 C ATOM 1021 CE LYS A 64 -1.299 -17.032 -16.859 1.00 0.00 C ATOM 1022 NZ LYS A 64 -1.755 -16.553 -15.534 1.00 0.00 N ATOM 0 H LYS A 64 -3.417 -13.307 -17.229 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.809 -12.891 -17.291 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.619 -13.544 -19.684 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.909 -13.920 -19.613 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -2.880 -15.031 -17.582 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.582 -15.826 -19.115 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -0.258 -16.225 -18.570 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.317 -15.138 -17.196 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.094 -17.608 -17.333 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.450 -17.704 -16.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.160 -17.347 -14.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.947 -16.159 -15.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.478 -15.816 -15.661 1.00 0.00 H new ATOM 1036 N THR A 65 -0.219 -10.657 -18.051 1.00 0.00 N ATOM 1037 CA THR A 65 0.189 -9.280 -18.352 1.00 0.00 C ATOM 1038 C THR A 65 1.706 -9.100 -18.261 1.00 0.00 C ATOM 1039 O THR A 65 2.364 -9.739 -17.440 1.00 0.00 O ATOM 1040 CB THR A 65 -0.556 -8.352 -17.380 1.00 0.00 C ATOM 1041 OG1 THR A 65 -1.881 -8.229 -17.820 1.00 0.00 O ATOM 1042 CG2 THR A 65 -0.027 -6.935 -17.305 1.00 0.00 C ATOM 0 H THR A 65 0.251 -11.024 -17.223 1.00 0.00 H new ATOM 0 HA THR A 65 -0.073 -9.031 -19.380 1.00 0.00 H new ATOM 0 HB THR A 65 -0.434 -8.811 -16.399 1.00 0.00 H new ATOM 0 HG1 THR A 65 -2.355 -9.074 -17.670 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.620 -6.362 -16.592 1.00 0.00 H new ATOM 0 HG22 THR A 65 1.013 -6.952 -16.980 1.00 0.00 H new ATOM 0 HG23 THR A 65 -0.093 -6.470 -18.288 1.00 0.00 H new ATOM 1050 N LYS A 66 2.267 -8.211 -19.097 1.00 0.00 N ATOM 1051 CA LYS A 66 3.678 -7.814 -19.025 1.00 0.00 C ATOM 1052 C LYS A 66 3.878 -6.646 -18.044 1.00 0.00 C ATOM 1053 O LYS A 66 2.976 -5.832 -17.831 1.00 0.00 O ATOM 1054 CB LYS A 66 4.168 -7.428 -20.430 1.00 0.00 C ATOM 1055 CG LYS A 66 5.685 -7.621 -20.625 1.00 0.00 C ATOM 1056 CD LYS A 66 6.090 -8.931 -21.325 1.00 0.00 C ATOM 1057 CE LYS A 66 5.616 -10.224 -20.645 1.00 0.00 C ATOM 1058 NZ LYS A 66 4.301 -10.678 -21.155 1.00 0.00 N ATOM 0 H LYS A 66 1.750 -7.747 -19.844 1.00 0.00 H new ATOM 0 HA LYS A 66 4.262 -8.657 -18.654 1.00 0.00 H new ATOM 0 HB2 LYS A 66 3.635 -8.026 -21.169 1.00 0.00 H new ATOM 0 HB3 LYS A 66 3.915 -6.385 -20.621 1.00 0.00 H new ATOM 0 HG2 LYS A 66 6.071 -6.783 -21.205 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.169 -7.583 -19.649 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.700 -8.913 -22.343 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.177 -8.960 -21.401 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.356 -11.008 -20.805 1.00 0.00 H new ATOM 0 HE3 LYS A 66 5.550 -10.063 -19.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.054 -11.588 -20.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 3.575 -9.972 -20.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.350 -10.793 -22.187 1.00 0.00 H new ATOM 1072 N VAL A 67 5.089 -6.558 -17.485 1.00 0.00 N ATOM 1073 CA VAL A 67 5.467 -5.649 -16.399 1.00 0.00 C ATOM 1074 C VAL A 67 6.545 -4.683 -16.880 1.00 0.00 C ATOM 1075 O VAL A 67 7.730 -5.012 -16.919 1.00 0.00 O ATOM 1076 CB VAL A 67 5.916 -6.435 -15.151 1.00 0.00 C ATOM 1077 CG1 VAL A 67 6.120 -5.492 -13.960 1.00 0.00 C ATOM 1078 CG2 VAL A 67 4.860 -7.474 -14.764 1.00 0.00 C ATOM 0 H VAL A 67 5.866 -7.144 -17.791 1.00 0.00 H new ATOM 0 HA VAL A 67 4.595 -5.064 -16.108 1.00 0.00 H new ATOM 0 HB VAL A 67 6.856 -6.930 -15.395 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.437 -6.068 -13.090 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.885 -4.756 -14.206 1.00 0.00 H new ATOM 0 HG13 VAL A 67 5.184 -4.981 -13.736 1.00 0.00 H new ATOM 0 HG21 VAL A 67 5.193 -8.020 -13.881 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.918 -6.971 -14.546 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.716 -8.172 -15.589 1.00 0.00 H new ATOM 1088 N TYR A 68 6.118 -3.488 -17.286 1.00 0.00 N ATOM 1089 CA TYR A 68 7.018 -2.442 -17.766 1.00 0.00 C ATOM 1090 C TYR A 68 7.609 -1.659 -16.584 1.00 0.00 C ATOM 1091 O TYR A 68 6.958 -0.797 -15.984 1.00 0.00 O ATOM 1092 CB TYR A 68 6.286 -1.540 -18.760 1.00 0.00 C ATOM 1093 CG TYR A 68 7.185 -0.554 -19.490 1.00 0.00 C ATOM 1094 CD1 TYR A 68 7.497 0.683 -18.898 1.00 0.00 C ATOM 1095 CD2 TYR A 68 7.718 -0.876 -20.755 1.00 0.00 C ATOM 1096 CE1 TYR A 68 8.359 1.581 -19.550 1.00 0.00 C ATOM 1097 CE2 TYR A 68 8.573 0.028 -21.418 1.00 0.00 C ATOM 1098 CZ TYR A 68 8.905 1.256 -20.804 1.00 0.00 C ATOM 1099 OH TYR A 68 9.811 2.121 -21.333 1.00 0.00 O ATOM 0 H TYR A 68 5.134 -3.218 -17.291 1.00 0.00 H new ATOM 0 HA TYR A 68 7.856 -2.895 -18.295 1.00 0.00 H new ATOM 0 HB2 TYR A 68 5.780 -2.165 -19.495 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.514 -0.984 -18.228 1.00 0.00 H new ATOM 0 HD1 TYR A 68 7.073 0.943 -17.940 1.00 0.00 H new ATOM 0 HD2 TYR A 68 7.470 -1.820 -21.218 1.00 0.00 H new ATOM 0 HE1 TYR A 68 8.603 2.525 -19.086 1.00 0.00 H new ATOM 0 HE2 TYR A 68 8.972 -0.217 -22.391 1.00 0.00 H new ATOM 0 HH TYR A 68 9.996 1.873 -22.263 1.00 0.00 H new ATOM 1109 N TYR A 69 8.865 -1.964 -16.249 1.00 0.00 N ATOM 1110 CA TYR A 69 9.624 -1.221 -15.248 1.00 0.00 C ATOM 1111 C TYR A 69 10.178 0.086 -15.818 1.00 0.00 C ATOM 1112 O TYR A 69 10.921 0.102 -16.800 1.00 0.00 O ATOM 1113 CB TYR A 69 10.725 -2.100 -14.646 1.00 0.00 C ATOM 1114 CG TYR A 69 10.152 -3.020 -13.593 1.00 0.00 C ATOM 1115 CD1 TYR A 69 9.705 -2.461 -12.381 1.00 0.00 C ATOM 1116 CD2 TYR A 69 9.967 -4.393 -13.852 1.00 0.00 C ATOM 1117 CE1 TYR A 69 9.027 -3.257 -11.448 1.00 0.00 C ATOM 1118 CE2 TYR A 69 9.314 -5.202 -12.903 1.00 0.00 C ATOM 1119 CZ TYR A 69 8.811 -4.626 -11.715 1.00 0.00 C ATOM 1120 OH TYR A 69 8.116 -5.375 -10.824 1.00 0.00 O ATOM 0 H TYR A 69 9.383 -2.736 -16.668 1.00 0.00 H new ATOM 0 HA TYR A 69 8.945 -0.944 -14.442 1.00 0.00 H new ATOM 0 HB2 TYR A 69 11.199 -2.688 -15.432 1.00 0.00 H new ATOM 0 HB3 TYR A 69 11.500 -1.472 -14.206 1.00 0.00 H new ATOM 0 HD1 TYR A 69 9.885 -1.417 -12.170 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.325 -4.823 -14.776 1.00 0.00 H new ATOM 0 HE1 TYR A 69 8.670 -2.823 -10.526 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.198 -6.261 -13.083 1.00 0.00 H new ATOM 0 HH TYR A 69 8.038 -6.293 -11.159 1.00 0.00 H new ATOM 1130 N PHE A 70 9.800 1.180 -15.156 1.00 0.00 N ATOM 1131 CA PHE A 70 10.121 2.579 -15.451 1.00 0.00 C ATOM 1132 C PHE A 70 10.540 3.261 -14.127 1.00 0.00 C ATOM 1133 O PHE A 70 10.390 4.460 -13.920 1.00 0.00 O ATOM 1134 CB PHE A 70 8.858 3.140 -16.125 1.00 0.00 C ATOM 1135 CG PHE A 70 8.804 4.542 -16.731 1.00 0.00 C ATOM 1136 CD1 PHE A 70 9.829 5.502 -16.593 1.00 0.00 C ATOM 1137 CD2 PHE A 70 7.646 4.890 -17.458 1.00 0.00 C ATOM 1138 CE1 PHE A 70 9.664 6.801 -17.108 1.00 0.00 C ATOM 1139 CE2 PHE A 70 7.501 6.173 -18.011 1.00 0.00 C ATOM 1140 CZ PHE A 70 8.502 7.137 -17.820 1.00 0.00 C ATOM 0 H PHE A 70 9.210 1.104 -14.327 1.00 0.00 H new ATOM 0 HA PHE A 70 10.961 2.742 -16.126 1.00 0.00 H new ATOM 0 HB2 PHE A 70 8.596 2.445 -16.923 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.061 3.090 -15.384 1.00 0.00 H new ATOM 0 HD1 PHE A 70 10.747 5.238 -16.089 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.861 4.160 -17.591 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.434 7.542 -16.955 1.00 0.00 H new ATOM 0 HE2 PHE A 70 6.618 6.417 -18.584 1.00 0.00 H new ATOM 0 HZ PHE A 70 8.379 8.133 -18.219 1.00 0.00 H new ATOM 1150 N GLN A 71 11.062 2.471 -13.182 1.00 0.00 N ATOM 1151 CA GLN A 71 11.341 2.831 -11.791 1.00 0.00 C ATOM 1152 C GLN A 71 12.594 3.728 -11.615 1.00 0.00 C ATOM 1153 O GLN A 71 13.256 3.705 -10.580 1.00 0.00 O ATOM 1154 CB GLN A 71 11.370 1.513 -10.993 1.00 0.00 C ATOM 1155 CG GLN A 71 11.464 1.684 -9.470 1.00 0.00 C ATOM 1156 CD GLN A 71 10.898 0.486 -8.720 1.00 0.00 C ATOM 1157 OE1 GLN A 71 11.506 -0.569 -8.615 1.00 0.00 O ATOM 1158 NE2 GLN A 71 9.718 0.635 -8.155 1.00 0.00 N ATOM 0 H GLN A 71 11.316 1.504 -13.383 1.00 0.00 H new ATOM 0 HA GLN A 71 10.556 3.476 -11.397 1.00 0.00 H new ATOM 0 HB2 GLN A 71 10.470 0.944 -11.226 1.00 0.00 H new ATOM 0 HB3 GLN A 71 12.219 0.919 -11.331 1.00 0.00 H new ATOM 0 HG2 GLN A 71 12.506 1.829 -9.186 1.00 0.00 H new ATOM 0 HG3 GLN A 71 10.925 2.584 -9.173 1.00 0.00 H new ATOM 0 HE21 GLN A 71 9.216 1.518 -8.247 1.00 0.00 H new ATOM 0 HE22 GLN A 71 9.306 -0.133 -7.625 1.00 0.00 H new ATOM 1167 N GLY A 72 12.914 4.574 -12.603 1.00 0.00 N ATOM 1168 CA GLY A 72 13.932 5.625 -12.504 1.00 0.00 C ATOM 1169 C GLY A 72 13.454 6.785 -11.624 1.00 0.00 C ATOM 1170 O GLY A 72 13.272 7.894 -12.123 1.00 0.00 O ATOM 0 H GLY A 72 12.460 4.545 -13.516 1.00 0.00 H new ATOM 0 HA2 GLY A 72 14.850 5.207 -12.091 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.172 5.997 -13.500 1.00 0.00 H new ATOM 1174 N GLY A 73 13.167 6.489 -10.351 1.00 0.00 N ATOM 1175 CA GLY A 73 12.488 7.339 -9.373 1.00 0.00 C ATOM 1176 C GLY A 73 11.043 6.875 -9.122 1.00 0.00 C ATOM 1177 O GLY A 73 10.789 6.155 -8.161 1.00 0.00 O ATOM 0 H GLY A 73 13.422 5.586 -9.952 1.00 0.00 H new ATOM 0 HA2 GLY A 73 13.042 7.328 -8.434 1.00 0.00 H new ATOM 0 HA3 GLY A 73 12.483 8.370 -9.728 1.00 0.00 H new ATOM 1181 N ASN A 74 10.050 7.236 -9.940 1.00 0.00 N ATOM 1182 CA ASN A 74 10.117 8.079 -11.138 1.00 0.00 C ATOM 1183 C ASN A 74 8.991 9.116 -11.155 1.00 0.00 C ATOM 1184 O ASN A 74 9.256 10.310 -11.074 1.00 0.00 O ATOM 1185 CB ASN A 74 10.075 7.194 -12.391 1.00 0.00 C ATOM 1186 CG ASN A 74 10.128 8.050 -13.642 1.00 0.00 C ATOM 1187 OD1 ASN A 74 9.105 8.375 -14.227 1.00 0.00 O ATOM 1188 ND2 ASN A 74 11.302 8.517 -14.012 1.00 0.00 N ATOM 0 H ASN A 74 9.096 6.919 -9.766 1.00 0.00 H new ATOM 0 HA ASN A 74 11.057 8.630 -11.126 1.00 0.00 H new ATOM 0 HB2 ASN A 74 10.915 6.499 -12.382 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.165 6.594 -12.391 1.00 0.00 H new ATOM 0 HD21 ASN A 74 11.369 9.162 -14.799 1.00 0.00 H new ATOM 0 HD22 ASN A 74 12.144 8.234 -13.511 1.00 0.00 H new ATOM 1195 N ASN A 75 7.742 8.651 -11.273 1.00 0.00 N ATOM 1196 CA ASN A 75 6.513 9.434 -11.273 1.00 0.00 C ATOM 1197 C ASN A 75 6.348 10.427 -12.448 1.00 0.00 C ATOM 1198 O ASN A 75 5.312 11.089 -12.524 1.00 0.00 O ATOM 1199 CB ASN A 75 6.315 10.035 -9.866 1.00 0.00 C ATOM 1200 CG ASN A 75 6.344 8.974 -8.761 1.00 0.00 C ATOM 1201 OD1 ASN A 75 5.827 7.879 -8.927 1.00 0.00 O ATOM 1202 ND2 ASN A 75 6.953 9.254 -7.624 1.00 0.00 N ATOM 0 H ASN A 75 7.557 7.653 -11.377 1.00 0.00 H new ATOM 0 HA ASN A 75 5.682 8.760 -11.481 1.00 0.00 H new ATOM 0 HB2 ASN A 75 7.095 10.772 -9.677 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.362 10.564 -9.832 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.993 8.556 -6.881 1.00 0.00 H new ATOM 0 HD22 ASN A 75 7.384 10.169 -7.488 1.00 0.00 H new ATOM 1209 N GLU A 76 7.275 10.485 -13.417 1.00 0.00 N ATOM 1210 CA GLU A 76 7.155 11.328 -14.620 1.00 0.00 C ATOM 1211 C GLU A 76 6.127 10.785 -15.627 1.00 0.00 C ATOM 1212 O GLU A 76 5.605 11.533 -16.454 1.00 0.00 O ATOM 1213 CB GLU A 76 8.535 11.514 -15.283 1.00 0.00 C ATOM 1214 CG GLU A 76 8.567 12.609 -16.370 1.00 0.00 C ATOM 1215 CD GLU A 76 7.929 13.921 -15.894 1.00 0.00 C ATOM 1216 OE1 GLU A 76 8.300 14.419 -14.811 1.00 0.00 O ATOM 1217 OE2 GLU A 76 6.955 14.398 -16.520 1.00 0.00 O ATOM 0 H GLU A 76 8.138 9.943 -13.388 1.00 0.00 H new ATOM 0 HA GLU A 76 6.783 12.300 -14.296 1.00 0.00 H new ATOM 0 HB2 GLU A 76 9.266 11.759 -14.513 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.844 10.567 -15.726 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.600 12.796 -16.664 1.00 0.00 H new ATOM 0 HG3 GLU A 76 8.042 12.253 -17.257 1.00 0.00 H new ATOM 1224 N LEU A 77 5.735 9.513 -15.498 1.00 0.00 N ATOM 1225 CA LEU A 77 4.513 8.987 -16.113 1.00 0.00 C ATOM 1226 C LEU A 77 3.247 9.727 -15.636 1.00 0.00 C ATOM 1227 O LEU A 77 2.220 9.689 -16.311 1.00 0.00 O ATOM 1228 CB LEU A 77 4.450 7.481 -15.844 1.00 0.00 C ATOM 1229 CG LEU A 77 3.311 6.730 -16.562 1.00 0.00 C ATOM 1230 CD1 LEU A 77 3.368 6.845 -18.089 1.00 0.00 C ATOM 1231 CD2 LEU A 77 3.452 5.258 -16.207 1.00 0.00 C ATOM 0 H LEU A 77 6.257 8.819 -14.963 1.00 0.00 H new ATOM 0 HA LEU A 77 4.547 9.159 -17.189 1.00 0.00 H new ATOM 0 HB2 LEU A 77 5.400 7.036 -16.140 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.346 7.325 -14.770 1.00 0.00 H new ATOM 0 HG LEU A 77 2.368 7.171 -16.239 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.537 6.293 -18.527 1.00 0.00 H new ATOM 0 HD12 LEU A 77 3.299 7.894 -18.378 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.309 6.431 -18.450 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.662 4.688 -16.697 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.423 4.894 -16.543 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.372 5.135 -15.127 1.00 0.00 H new ATOM 1243 N GLY A 78 3.330 10.490 -14.536 1.00 0.00 N ATOM 1244 CA GLY A 78 2.361 11.526 -14.201 1.00 0.00 C ATOM 1245 C GLY A 78 2.064 12.456 -15.380 1.00 0.00 C ATOM 1246 O GLY A 78 0.897 12.754 -15.602 1.00 0.00 O ATOM 0 H GLY A 78 4.081 10.399 -13.852 1.00 0.00 H new ATOM 0 HA2 GLY A 78 1.434 11.058 -13.869 1.00 0.00 H new ATOM 0 HA3 GLY A 78 2.738 12.114 -13.365 1.00 0.00 H new ATOM 1250 N THR A 79 3.055 12.858 -16.190 1.00 0.00 N ATOM 1251 CA THR A 79 2.823 13.692 -17.386 1.00 0.00 C ATOM 1252 C THR A 79 1.800 13.076 -18.352 1.00 0.00 C ATOM 1253 O THR A 79 1.011 13.820 -18.939 1.00 0.00 O ATOM 1254 CB THR A 79 4.151 14.063 -18.067 1.00 0.00 C ATOM 1255 OG1 THR A 79 4.761 15.025 -17.242 1.00 0.00 O ATOM 1256 CG2 THR A 79 3.990 14.724 -19.436 1.00 0.00 C ATOM 0 H THR A 79 4.035 12.618 -16.039 1.00 0.00 H new ATOM 0 HA THR A 79 2.367 14.623 -17.050 1.00 0.00 H new ATOM 0 HB THR A 79 4.715 13.141 -18.208 1.00 0.00 H new ATOM 0 HG1 THR A 79 5.732 14.894 -17.250 1.00 0.00 H new ATOM 0 HG21 THR A 79 4.973 14.953 -19.847 1.00 0.00 H new ATOM 0 HG22 THR A 79 3.465 14.045 -20.108 1.00 0.00 H new ATOM 0 HG23 THR A 79 3.417 15.645 -19.330 1.00 0.00 H new ATOM 1264 N ALA A 80 1.709 11.742 -18.437 1.00 0.00 N ATOM 1265 CA ALA A 80 0.551 11.068 -19.013 1.00 0.00 C ATOM 1266 C ALA A 80 -0.672 11.160 -18.091 1.00 0.00 C ATOM 1267 O ALA A 80 -1.677 11.769 -18.466 1.00 0.00 O ATOM 1268 CB ALA A 80 0.894 9.606 -19.329 1.00 0.00 C ATOM 0 H ALA A 80 2.436 11.107 -18.108 1.00 0.00 H new ATOM 0 HA ALA A 80 0.292 11.575 -19.943 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.022 9.112 -19.759 1.00 0.00 H new ATOM 0 HB2 ALA A 80 1.718 9.571 -20.041 1.00 0.00 H new ATOM 0 HB3 ALA A 80 1.185 9.094 -18.412 1.00 0.00 H new ATOM 1274 N VAL A 81 -0.603 10.530 -16.913 1.00 0.00 N ATOM 1275 CA VAL A 81 -1.796 10.068 -16.188 1.00 0.00 C ATOM 1276 C VAL A 81 -2.407 11.057 -15.183 1.00 0.00 C ATOM 1277 O VAL A 81 -3.516 10.812 -14.715 1.00 0.00 O ATOM 1278 CB VAL A 81 -1.531 8.701 -15.527 1.00 0.00 C ATOM 1279 CG1 VAL A 81 -0.949 7.688 -16.522 1.00 0.00 C ATOM 1280 CG2 VAL A 81 -0.598 8.767 -14.315 1.00 0.00 C ATOM 0 H VAL A 81 0.275 10.326 -16.436 1.00 0.00 H new ATOM 0 HA VAL A 81 -2.561 9.975 -16.959 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.513 8.376 -15.184 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.777 6.738 -16.016 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.651 7.540 -17.343 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.005 8.065 -16.915 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.461 7.766 -13.906 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.368 9.169 -14.621 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.035 9.413 -13.554 1.00 0.00 H new ATOM 1290 N GLY A 82 -1.727 12.164 -14.856 1.00 0.00 N ATOM 1291 CA GLY A 82 -2.207 13.131 -13.856 1.00 0.00 C ATOM 1292 C GLY A 82 -1.593 14.538 -13.867 1.00 0.00 C ATOM 1293 O GLY A 82 -2.056 15.404 -13.129 1.00 0.00 O ATOM 0 H GLY A 82 -0.832 12.415 -15.275 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.285 13.235 -13.981 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.041 12.701 -12.868 1.00 0.00 H new ATOM 1297 N LYS A 83 -0.587 14.789 -14.714 1.00 0.00 N ATOM 1298 CA LYS A 83 0.204 16.007 -14.940 1.00 0.00 C ATOM 1299 C LYS A 83 0.796 16.615 -13.662 1.00 0.00 C ATOM 1300 O LYS A 83 2.011 16.546 -13.470 1.00 0.00 O ATOM 1301 CB LYS A 83 -0.571 17.017 -15.810 1.00 0.00 C ATOM 1302 CG LYS A 83 -0.846 16.533 -17.250 1.00 0.00 C ATOM 1303 CD LYS A 83 -2.106 15.659 -17.406 1.00 0.00 C ATOM 1304 CE LYS A 83 -2.431 15.395 -18.883 1.00 0.00 C ATOM 1305 NZ LYS A 83 -1.606 14.306 -19.458 1.00 0.00 N ATOM 0 H LYS A 83 -0.268 14.047 -15.337 1.00 0.00 H new ATOM 0 HA LYS A 83 1.085 15.708 -15.508 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.522 17.241 -15.326 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -0.008 17.949 -15.853 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.941 17.403 -17.899 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.018 15.967 -17.600 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.958 14.710 -16.890 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -2.953 16.152 -16.929 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -3.486 15.138 -18.980 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -2.272 16.309 -19.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.764 14.256 -20.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -0.601 14.496 -19.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -1.874 13.400 -19.022 1.00 0.00 H new ATOM 1319 N LEU A 84 -0.053 17.191 -12.807 1.00 0.00 N ATOM 1320 CA LEU A 84 0.286 17.662 -11.467 1.00 0.00 C ATOM 1321 C LEU A 84 0.286 16.546 -10.409 1.00 0.00 C ATOM 1322 O LEU A 84 1.137 16.578 -9.522 1.00 0.00 O ATOM 1323 CB LEU A 84 -0.581 18.872 -11.054 1.00 0.00 C ATOM 1324 CG LEU A 84 -2.093 18.641 -10.817 1.00 0.00 C ATOM 1325 CD1 LEU A 84 -2.641 19.743 -9.905 1.00 0.00 C ATOM 1326 CD2 LEU A 84 -2.920 18.672 -12.109 1.00 0.00 C ATOM 0 H LEU A 84 -1.033 17.347 -13.041 1.00 0.00 H new ATOM 0 HA LEU A 84 1.319 18.007 -11.516 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -0.160 19.286 -10.138 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.478 19.635 -11.826 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.182 17.650 -10.371 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.706 19.581 -9.738 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.116 19.720 -8.950 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.492 20.714 -10.377 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.971 18.504 -11.873 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.808 19.644 -12.590 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.570 17.891 -12.784 1.00 0.00 H new ATOM 1338 N PHE A 85 -0.600 15.541 -10.510 1.00 0.00 N ATOM 1339 CA PHE A 85 -0.592 14.392 -9.596 1.00 0.00 C ATOM 1340 C PHE A 85 0.215 13.232 -10.189 1.00 0.00 C ATOM 1341 O PHE A 85 0.060 12.866 -11.356 1.00 0.00 O ATOM 1342 CB PHE A 85 -2.004 14.013 -9.125 1.00 0.00 C ATOM 1343 CG PHE A 85 -3.025 13.631 -10.180 1.00 0.00 C ATOM 1344 CD1 PHE A 85 -3.785 14.633 -10.810 1.00 0.00 C ATOM 1345 CD2 PHE A 85 -3.275 12.276 -10.469 1.00 0.00 C ATOM 1346 CE1 PHE A 85 -4.799 14.281 -11.720 1.00 0.00 C ATOM 1347 CE2 PHE A 85 -4.286 11.925 -11.381 1.00 0.00 C ATOM 1348 CZ PHE A 85 -5.053 12.926 -12.001 1.00 0.00 C ATOM 0 H PHE A 85 -1.332 15.504 -11.219 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.074 14.680 -8.681 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -1.912 13.178 -8.431 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -2.405 14.854 -8.560 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -3.590 15.673 -10.595 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -2.690 11.505 -9.990 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -5.382 15.051 -12.203 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -4.473 10.885 -11.605 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.837 12.655 -12.693 1.00 0.00 H new ATOM 1358 N ARG A 86 1.163 12.729 -9.388 1.00 0.00 N ATOM 1359 CA ARG A 86 2.388 12.072 -9.857 1.00 0.00 C ATOM 1360 C ARG A 86 2.757 10.859 -8.993 1.00 0.00 C ATOM 1361 O ARG A 86 3.564 10.963 -8.074 1.00 0.00 O ATOM 1362 CB ARG A 86 3.509 13.137 -9.904 1.00 0.00 C ATOM 1363 CG ARG A 86 3.438 13.963 -11.195 1.00 0.00 C ATOM 1364 CD ARG A 86 4.288 15.234 -11.146 1.00 0.00 C ATOM 1365 NE ARG A 86 4.519 15.718 -12.517 1.00 0.00 N ATOM 1366 CZ ARG A 86 5.581 15.457 -13.273 1.00 0.00 C ATOM 1367 NH1 ARG A 86 6.662 14.890 -12.800 1.00 0.00 N ATOM 1368 NH2 ARG A 86 5.583 15.725 -14.553 1.00 0.00 N ATOM 0 H ARG A 86 1.097 12.769 -8.371 1.00 0.00 H new ATOM 0 HA ARG A 86 2.235 11.666 -10.857 1.00 0.00 H new ATOM 0 HB2 ARG A 86 3.422 13.798 -9.041 1.00 0.00 H new ATOM 0 HB3 ARG A 86 4.481 12.649 -9.835 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.766 13.346 -12.032 1.00 0.00 H new ATOM 0 HG3 ARG A 86 2.400 14.235 -11.388 1.00 0.00 H new ATOM 0 HD2 ARG A 86 3.783 16.000 -10.558 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.239 15.030 -10.655 1.00 0.00 H new ATOM 0 HE ARG A 86 3.796 16.310 -12.926 1.00 0.00 H new ATOM 0 HH11 ARG A 86 6.712 14.630 -11.815 1.00 0.00 H new ATOM 0 HH12 ARG A 86 7.454 14.708 -13.417 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.760 16.142 -14.988 1.00 0.00 H new ATOM 0 HH22 ARG A 86 6.408 15.517 -15.116 1.00 0.00 H new ATOM 1382 N VAL A 87 2.183 9.702 -9.334 1.00 0.00 N ATOM 1383 CA VAL A 87 2.593 8.363 -8.874 1.00 0.00 C ATOM 1384 C VAL A 87 2.484 7.412 -10.071 1.00 0.00 C ATOM 1385 O VAL A 87 1.364 7.068 -10.448 1.00 0.00 O ATOM 1386 CB VAL A 87 1.748 7.855 -7.682 1.00 0.00 C ATOM 1387 CG1 VAL A 87 2.238 6.473 -7.223 1.00 0.00 C ATOM 1388 CG2 VAL A 87 1.819 8.794 -6.470 1.00 0.00 C ATOM 0 H VAL A 87 1.384 9.666 -9.966 1.00 0.00 H new ATOM 0 HA VAL A 87 3.618 8.409 -8.505 1.00 0.00 H new ATOM 0 HB VAL A 87 0.720 7.809 -8.041 1.00 0.00 H new ATOM 0 HG11 VAL A 87 1.632 6.132 -6.384 1.00 0.00 H new ATOM 0 HG12 VAL A 87 2.150 5.764 -8.046 1.00 0.00 H new ATOM 0 HG13 VAL A 87 3.281 6.541 -6.913 1.00 0.00 H new ATOM 0 HG21 VAL A 87 1.209 8.391 -5.662 1.00 0.00 H new ATOM 0 HG22 VAL A 87 2.853 8.880 -6.136 1.00 0.00 H new ATOM 0 HG23 VAL A 87 1.446 9.779 -6.750 1.00 0.00 H new ATOM 1398 N GLY A 88 3.586 7.010 -10.727 1.00 0.00 N ATOM 1399 CA GLY A 88 3.484 6.365 -12.038 1.00 0.00 C ATOM 1400 C GLY A 88 3.200 4.862 -11.985 1.00 0.00 C ATOM 1401 O GLY A 88 3.814 4.103 -12.732 1.00 0.00 O ATOM 0 H GLY A 88 4.538 7.119 -10.376 1.00 0.00 H new ATOM 0 HA2 GLY A 88 2.692 6.852 -12.608 1.00 0.00 H new ATOM 0 HA3 GLY A 88 4.414 6.527 -12.582 1.00 0.00 H new ATOM 1405 N VAL A 89 2.282 4.422 -11.116 1.00 0.00 N ATOM 1406 CA VAL A 89 1.833 3.025 -11.038 1.00 0.00 C ATOM 1407 C VAL A 89 0.489 2.882 -11.763 1.00 0.00 C ATOM 1408 O VAL A 89 -0.534 3.432 -11.343 1.00 0.00 O ATOM 1409 CB VAL A 89 1.891 2.486 -9.594 1.00 0.00 C ATOM 1410 CG1 VAL A 89 0.688 2.826 -8.710 1.00 0.00 C ATOM 1411 CG2 VAL A 89 2.076 0.970 -9.609 1.00 0.00 C ATOM 0 H VAL A 89 1.824 5.032 -10.439 1.00 0.00 H new ATOM 0 HA VAL A 89 2.522 2.368 -11.569 1.00 0.00 H new ATOM 0 HB VAL A 89 2.743 2.997 -9.146 1.00 0.00 H new ATOM 0 HG11 VAL A 89 0.833 2.399 -7.718 1.00 0.00 H new ATOM 0 HG12 VAL A 89 0.591 3.909 -8.628 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -0.218 2.413 -9.154 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.116 0.598 -8.585 1.00 0.00 H new ATOM 0 HG22 VAL A 89 1.239 0.506 -10.131 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.005 0.722 -10.122 1.00 0.00 H new ATOM 1421 N VAL A 90 0.530 2.219 -12.925 1.00 0.00 N ATOM 1422 CA VAL A 90 -0.537 2.237 -13.936 1.00 0.00 C ATOM 1423 C VAL A 90 -0.801 0.815 -14.422 1.00 0.00 C ATOM 1424 O VAL A 90 0.062 -0.067 -14.348 1.00 0.00 O ATOM 1425 CB VAL A 90 -0.155 3.147 -15.134 1.00 0.00 C ATOM 1426 CG1 VAL A 90 -1.304 3.353 -16.140 1.00 0.00 C ATOM 1427 CG2 VAL A 90 0.359 4.521 -14.680 1.00 0.00 C ATOM 0 H VAL A 90 1.325 1.641 -13.196 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.441 2.642 -13.481 1.00 0.00 H new ATOM 0 HB VAL A 90 0.646 2.608 -15.640 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.966 3.999 -16.951 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -1.608 2.389 -16.547 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -2.151 3.817 -15.635 1.00 0.00 H new ATOM 0 HG21 VAL A 90 0.613 5.121 -15.554 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -0.416 5.028 -14.105 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.245 4.391 -14.059 1.00 0.00 H new ATOM 1437 N SER A 91 -1.992 0.553 -14.956 1.00 0.00 N ATOM 1438 CA SER A 91 -2.223 -0.651 -15.754 1.00 0.00 C ATOM 1439 C SER A 91 -3.253 -0.390 -16.849 1.00 0.00 C ATOM 1440 O SER A 91 -4.157 0.425 -16.666 1.00 0.00 O ATOM 1441 CB SER A 91 -2.639 -1.806 -14.839 1.00 0.00 C ATOM 1442 OG SER A 91 -1.748 -1.918 -13.737 1.00 0.00 O ATOM 0 H SER A 91 -2.809 1.155 -14.852 1.00 0.00 H new ATOM 0 HA SER A 91 -1.296 -0.933 -16.254 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.654 -1.643 -14.477 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.647 -2.739 -15.403 1.00 0.00 H new ATOM 0 HG SER A 91 -0.885 -1.518 -13.972 1.00 0.00 H new ATOM 1448 N ILE A 92 -3.108 -1.089 -17.978 1.00 0.00 N ATOM 1449 CA ILE A 92 -3.956 -0.984 -19.166 1.00 0.00 C ATOM 1450 C ILE A 92 -4.576 -2.357 -19.451 1.00 0.00 C ATOM 1451 O ILE A 92 -3.891 -3.389 -19.442 1.00 0.00 O ATOM 1452 CB ILE A 92 -3.169 -0.457 -20.393 1.00 0.00 C ATOM 1453 CG1 ILE A 92 -2.259 0.765 -20.122 1.00 0.00 C ATOM 1454 CG2 ILE A 92 -4.147 -0.132 -21.542 1.00 0.00 C ATOM 1455 CD1 ILE A 92 -2.982 2.053 -19.722 1.00 0.00 C ATOM 0 H ILE A 92 -2.362 -1.775 -18.093 1.00 0.00 H new ATOM 0 HA ILE A 92 -4.746 -0.258 -18.974 1.00 0.00 H new ATOM 0 HB ILE A 92 -2.491 -1.266 -20.665 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -1.556 0.504 -19.331 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -1.671 0.963 -21.018 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -3.588 0.238 -22.402 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -4.690 -1.034 -21.823 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -4.854 0.630 -21.214 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -2.251 2.844 -19.556 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.664 2.350 -20.519 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -3.547 1.883 -18.806 1.00 0.00 H new ATOM 1467 N LEU A 93 -5.889 -2.352 -19.690 1.00 0.00 N ATOM 1468 CA LEU A 93 -6.723 -3.519 -19.942 1.00 0.00 C ATOM 1469 C LEU A 93 -6.907 -3.717 -21.451 1.00 0.00 C ATOM 1470 O LEU A 93 -6.511 -4.754 -21.986 1.00 0.00 O ATOM 1471 CB LEU A 93 -8.068 -3.375 -19.201 1.00 0.00 C ATOM 1472 CG LEU A 93 -7.964 -3.272 -17.660 1.00 0.00 C ATOM 1473 CD1 LEU A 93 -7.739 -1.846 -17.133 1.00 0.00 C ATOM 1474 CD2 LEU A 93 -9.261 -3.777 -17.025 1.00 0.00 C ATOM 0 H LEU A 93 -6.424 -1.484 -19.713 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.233 -4.413 -19.556 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -8.577 -2.487 -19.575 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.695 -4.231 -19.450 1.00 0.00 H new ATOM 0 HG LEU A 93 -7.095 -3.873 -17.391 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.678 -1.866 -16.045 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.809 -1.450 -17.541 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.570 -1.210 -17.439 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -9.187 -3.704 -15.940 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.097 -3.170 -17.373 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -9.424 -4.817 -17.309 1.00 0.00 H new ATOM 1486 N GLU A 94 -7.453 -2.706 -22.129 1.00 0.00 N ATOM 1487 CA GLU A 94 -7.647 -2.646 -23.580 1.00 0.00 C ATOM 1488 C GLU A 94 -7.130 -1.298 -24.100 1.00 0.00 C ATOM 1489 O GLU A 94 -7.695 -0.246 -23.782 1.00 0.00 O ATOM 1490 CB GLU A 94 -9.130 -2.823 -23.959 1.00 0.00 C ATOM 1491 CG GLU A 94 -9.653 -4.269 -23.909 1.00 0.00 C ATOM 1492 CD GLU A 94 -9.916 -4.822 -22.503 1.00 0.00 C ATOM 1493 OE1 GLU A 94 -10.432 -4.072 -21.643 1.00 0.00 O ATOM 1494 OE2 GLU A 94 -9.642 -6.025 -22.292 1.00 0.00 O ATOM 0 H GLU A 94 -7.789 -1.865 -21.659 1.00 0.00 H new ATOM 0 HA GLU A 94 -7.090 -3.463 -24.038 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.735 -2.212 -23.289 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -9.279 -2.435 -24.966 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -10.579 -4.323 -24.482 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -8.931 -4.916 -24.407 1.00 0.00 H new ATOM 1501 N ALA A 95 -6.053 -1.321 -24.898 1.00 0.00 N ATOM 1502 CA ALA A 95 -5.506 -0.134 -25.552 1.00 0.00 C ATOM 1503 C ALA A 95 -6.397 0.343 -26.713 1.00 0.00 C ATOM 1504 O ALA A 95 -6.049 0.203 -27.885 1.00 0.00 O ATOM 1505 CB ALA A 95 -4.061 -0.384 -25.993 1.00 0.00 C ATOM 0 H ALA A 95 -5.535 -2.175 -25.107 1.00 0.00 H new ATOM 0 HA ALA A 95 -5.494 0.679 -24.826 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -3.669 0.510 -26.478 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -3.451 -0.621 -25.122 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -4.034 -1.219 -26.693 1.00 0.00 H new ATOM 1511 N GLY A 96 -7.546 0.932 -26.376 1.00 0.00 N ATOM 1512 CA GLY A 96 -8.553 1.479 -27.294 1.00 0.00 C ATOM 1513 C GLY A 96 -8.121 2.730 -28.072 1.00 0.00 C ATOM 1514 O GLY A 96 -8.899 3.679 -28.159 1.00 0.00 O ATOM 0 H GLY A 96 -7.816 1.048 -25.399 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -8.828 0.704 -28.009 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -9.450 1.718 -26.723 1.00 0.00 H new ATOM 1518 N ASP A 97 -6.902 2.737 -28.626 1.00 0.00 N ATOM 1519 CA ASP A 97 -6.445 3.680 -29.652 1.00 0.00 C ATOM 1520 C ASP A 97 -5.249 3.111 -30.440 1.00 0.00 C ATOM 1521 O ASP A 97 -5.425 2.592 -31.539 1.00 0.00 O ATOM 1522 CB ASP A 97 -6.107 5.046 -29.025 1.00 0.00 C ATOM 1523 CG ASP A 97 -5.899 6.121 -30.090 1.00 0.00 C ATOM 1524 OD1 ASP A 97 -6.737 6.243 -31.012 1.00 0.00 O ATOM 1525 OD2 ASP A 97 -4.969 6.944 -29.934 1.00 0.00 O ATOM 0 H ASP A 97 -6.183 2.063 -28.363 1.00 0.00 H new ATOM 0 HA ASP A 97 -7.259 3.829 -30.361 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -6.912 5.348 -28.355 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -5.206 4.955 -28.419 1.00 0.00 H new ATOM 1530 N SER A 98 -4.033 3.227 -29.888 1.00 0.00 N ATOM 1531 CA SER A 98 -2.770 2.843 -30.527 1.00 0.00 C ATOM 1532 C SER A 98 -2.144 1.575 -29.923 1.00 0.00 C ATOM 1533 O SER A 98 -2.466 1.161 -28.811 1.00 0.00 O ATOM 1534 CB SER A 98 -1.835 4.057 -30.499 1.00 0.00 C ATOM 1535 OG SER A 98 -0.711 3.881 -31.336 1.00 0.00 O ATOM 0 H SER A 98 -3.899 3.605 -28.950 1.00 0.00 H new ATOM 0 HA SER A 98 -2.961 2.562 -31.563 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.385 4.945 -30.812 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.501 4.233 -29.477 1.00 0.00 H new ATOM 0 HG SER A 98 -0.358 4.757 -31.598 1.00 0.00 H new ATOM 1541 N ASP A 99 -1.202 0.974 -30.654 1.00 0.00 N ATOM 1542 CA ASP A 99 -0.679 -0.397 -30.538 1.00 0.00 C ATOM 1543 C ASP A 99 0.081 -0.764 -29.242 1.00 0.00 C ATOM 1544 O ASP A 99 0.750 -1.803 -29.223 1.00 0.00 O ATOM 1545 CB ASP A 99 0.229 -0.629 -31.763 1.00 0.00 C ATOM 1546 CG ASP A 99 1.430 0.318 -31.753 1.00 0.00 C ATOM 1547 OD1 ASP A 99 2.446 0.010 -31.085 1.00 0.00 O ATOM 1548 OD2 ASP A 99 1.288 1.419 -32.329 1.00 0.00 O ATOM 0 H ASP A 99 -0.742 1.477 -31.412 1.00 0.00 H new ATOM 0 HA ASP A 99 -1.550 -1.051 -30.496 1.00 0.00 H new ATOM 0 HB2 ASP A 99 0.578 -1.662 -31.769 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -0.346 -0.481 -32.677 1.00 0.00 H new ATOM 1553 N ILE A 100 0.035 0.057 -28.182 1.00 0.00 N ATOM 1554 CA ILE A 100 1.039 0.075 -27.105 1.00 0.00 C ATOM 1555 C ILE A 100 1.363 -1.307 -26.521 1.00 0.00 C ATOM 1556 O ILE A 100 2.536 -1.613 -26.353 1.00 0.00 O ATOM 1557 CB ILE A 100 0.695 1.107 -26.003 1.00 0.00 C ATOM 1558 CG1 ILE A 100 1.976 1.501 -25.237 1.00 0.00 C ATOM 1559 CG2 ILE A 100 -0.374 0.597 -25.020 1.00 0.00 C ATOM 1560 CD1 ILE A 100 1.781 2.674 -24.273 1.00 0.00 C ATOM 0 H ILE A 100 -0.712 0.738 -28.046 1.00 0.00 H new ATOM 0 HA ILE A 100 1.961 0.403 -27.585 1.00 0.00 H new ATOM 0 HB ILE A 100 0.274 1.981 -26.501 1.00 0.00 H new ATOM 0 HG12 ILE A 100 2.334 0.637 -24.676 1.00 0.00 H new ATOM 0 HG13 ILE A 100 2.754 1.759 -25.956 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -0.574 1.363 -24.270 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -1.292 0.373 -25.564 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -0.014 -0.307 -24.528 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.724 2.893 -23.771 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.454 3.552 -24.830 1.00 0.00 H new ATOM 0 HD13 ILE A 100 1.027 2.413 -23.530 1.00 0.00 H new ATOM 1572 N LEU A 101 0.351 -2.146 -26.269 1.00 0.00 N ATOM 1573 CA LEU A 101 0.465 -3.460 -25.626 1.00 0.00 C ATOM 1574 C LEU A 101 0.672 -4.653 -26.575 1.00 0.00 C ATOM 1575 O LEU A 101 0.878 -5.763 -26.097 1.00 0.00 O ATOM 1576 CB LEU A 101 -0.627 -3.702 -24.578 1.00 0.00 C ATOM 1577 CG LEU A 101 -2.015 -3.075 -24.802 1.00 0.00 C ATOM 1578 CD1 LEU A 101 -3.098 -4.034 -25.283 1.00 0.00 C ATOM 1579 CD2 LEU A 101 -2.390 -2.484 -23.455 1.00 0.00 C ATOM 0 H LEU A 101 -0.611 -1.917 -26.519 1.00 0.00 H new ATOM 0 HA LEU A 101 1.412 -3.405 -25.089 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -0.762 -4.779 -24.483 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -0.252 -3.342 -23.620 1.00 0.00 H new ATOM 0 HG LEU A 101 -1.952 -2.346 -25.610 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -4.035 -3.491 -25.409 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.800 -4.470 -26.237 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.234 -4.827 -24.548 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.371 -2.014 -23.524 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -2.419 -3.275 -22.706 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.650 -1.738 -23.166 1.00 0.00 H new ATOM 1591 N THR A 102 0.640 -4.438 -27.897 1.00 0.00 N ATOM 1592 CA THR A 102 0.706 -5.483 -28.944 1.00 0.00 C ATOM 1593 C THR A 102 1.962 -6.362 -28.842 1.00 0.00 C ATOM 1594 O THR A 102 1.938 -7.433 -28.243 1.00 0.00 O ATOM 1595 CB THR A 102 0.592 -4.867 -30.353 1.00 0.00 C ATOM 1596 OG1 THR A 102 1.527 -3.813 -30.503 1.00 0.00 O ATOM 1597 CG2 THR A 102 -0.810 -4.326 -30.635 1.00 0.00 C ATOM 0 H THR A 102 0.565 -3.499 -28.288 1.00 0.00 H new ATOM 0 HA THR A 102 -0.150 -6.136 -28.772 1.00 0.00 H new ATOM 0 HB THR A 102 0.801 -5.665 -31.065 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.124 -2.973 -30.199 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.841 -3.902 -31.639 1.00 0.00 H new ATOM 0 HG22 THR A 102 -1.535 -5.137 -30.561 1.00 0.00 H new ATOM 0 HG23 THR A 102 -1.055 -3.553 -29.907 1.00 0.00 H new ATOM 1605 N THR A 103 3.096 -5.896 -29.374 1.00 0.00 N ATOM 1606 CA THR A 103 4.427 -6.521 -29.261 1.00 0.00 C ATOM 1607 C THR A 103 5.068 -6.345 -27.875 1.00 0.00 C ATOM 1608 O THR A 103 6.261 -6.577 -27.695 1.00 0.00 O ATOM 1609 CB THR A 103 5.348 -6.033 -30.394 1.00 0.00 C ATOM 1610 OG1 THR A 103 5.362 -4.627 -30.538 1.00 0.00 O ATOM 1611 CG2 THR A 103 4.841 -6.595 -31.719 1.00 0.00 C ATOM 0 H THR A 103 3.117 -5.035 -29.920 1.00 0.00 H new ATOM 0 HA THR A 103 4.285 -7.596 -29.373 1.00 0.00 H new ATOM 0 HB THR A 103 6.352 -6.371 -30.138 1.00 0.00 H new ATOM 0 HG1 THR A 103 5.964 -4.379 -31.270 1.00 0.00 H new ATOM 0 HG21 THR A 103 5.486 -6.255 -32.529 1.00 0.00 H new ATOM 0 HG22 THR A 103 4.851 -7.684 -31.680 1.00 0.00 H new ATOM 0 HG23 THR A 103 3.823 -6.247 -31.896 1.00 0.00 H new ATOM 1619 N LEU A 104 4.253 -5.952 -26.893 1.00 0.00 N ATOM 1620 CA LEU A 104 4.561 -5.854 -25.462 1.00 0.00 C ATOM 1621 C LEU A 104 3.968 -7.017 -24.641 1.00 0.00 C ATOM 1622 O LEU A 104 4.283 -7.118 -23.461 1.00 0.00 O ATOM 1623 CB LEU A 104 3.976 -4.531 -24.917 1.00 0.00 C ATOM 1624 CG LEU A 104 4.927 -3.643 -24.090 1.00 0.00 C ATOM 1625 CD1 LEU A 104 4.102 -2.483 -23.523 1.00 0.00 C ATOM 1626 CD2 LEU A 104 5.600 -4.350 -22.911 1.00 0.00 C ATOM 0 H LEU A 104 3.292 -5.674 -27.090 1.00 0.00 H new ATOM 0 HA LEU A 104 5.646 -5.893 -25.361 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.613 -3.946 -25.762 1.00 0.00 H new ATOM 0 HB3 LEU A 104 3.110 -4.770 -24.299 1.00 0.00 H new ATOM 0 HG LEU A 104 5.725 -3.330 -24.763 1.00 0.00 H new ATOM 0 HD11 LEU A 104 4.747 -1.833 -22.931 1.00 0.00 H new ATOM 0 HD12 LEU A 104 3.666 -1.912 -24.343 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.306 -2.877 -22.892 1.00 0.00 H new ATOM 0 HD21 LEU A 104 6.250 -3.648 -22.388 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.838 -4.719 -22.225 1.00 0.00 H new ATOM 0 HD23 LEU A 104 6.193 -5.188 -23.279 1.00 0.00 H new ATOM 1638 N ALA A 105 3.063 -7.818 -25.220 1.00 0.00 N ATOM 1639 CA ALA A 105 2.081 -8.643 -24.509 1.00 0.00 C ATOM 1640 C ALA A 105 2.650 -9.587 -23.432 1.00 0.00 C ATOM 1641 O ALA A 105 2.056 -9.626 -22.324 1.00 0.00 O ATOM 1642 CB ALA A 105 1.271 -9.413 -25.560 1.00 0.00 C ATOM 1643 OXT ALA A 105 3.643 -10.307 -23.680 1.00 0.00 O ATOM 0 H ALA A 105 2.994 -7.911 -26.233 1.00 0.00 H new ATOM 0 HA ALA A 105 1.453 -7.965 -23.930 1.00 0.00 H new ATOM 0 HB1 ALA A 105 0.530 -10.038 -25.062 1.00 0.00 H new ATOM 0 HB2 ALA A 105 0.766 -8.707 -26.219 1.00 0.00 H new ATOM 0 HB3 ALA A 105 1.941 -10.042 -26.146 1.00 0.00 H new TER 1649 ALA A 105