USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 652 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 59 GLN : amide:sc= 0 X(o=-0.049,f=-0.066) USER MOD Set 1.2: A 60 ASN : amide:sc= -0.0489 X(o=-0.049,f=-0.049) USER MOD Set 2.1: A 20 GLN : amide:sc= -1.19 X(o=-0.033,f=-0.37) USER MOD Set 2.2: A 80 CYS SG : rot -84:sc= 1.15 USER MOD Single : A 6 GLN :FLIP amide:sc= 0 F(o=-0.8,f=0) USER MOD Single : A 8 HIS : no HD1:sc= -0.112 X(o=-0.11,f=-0.018) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 12 ASN : amide:sc= -0.647 K(o=-0.65,f=-4.9!) USER MOD Single : A 15 GLN :FLIP amide:sc= -0.0231 F(o=-1.2,f=-0.023) USER MOD Single : A 16 ASN :FLIP amide:sc= -0.563 F(o=-1.9,f=-0.56) USER MOD Single : A 18 THR OG1 : rot -146:sc= -0.854 USER MOD Single : A 23 MET CE :methyl 144:sc= -1.14 (180deg=-3.02!) USER MOD Single : A 28 LYS NZ :NH3+ -129:sc= 1.26 (180deg=0.527) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -170:sc= -0.962 USER MOD Single : A 41 LYS NZ :NH3+ -173:sc= 1.25 (180deg=1.12) USER MOD Single : A 42 GLN : amide:sc= -0.0387 X(o=-0.039,f=-0.0018) USER MOD Single : A 44 GLN : amide:sc= 0.481 X(o=0.48,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 169:sc= -0.054 (180deg=-0.239) USER MOD Single : A 51 MET CE :methyl -109:sc= -4.66! (180deg=-6.83!) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.308 F(o=-1.3,f=-0.31) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot -90:sc= -0.307 USER MOD Single : A 62 ASN : amide:sc= -0.199 K(o=-0.2,f=-0.86) USER MOD Single : A 65 LYS NZ :NH3+ -173:sc= 1.25 (180deg=1.14) USER MOD Single : A 74 TYR OH : rot 35:sc= 0.0936 USER MOD Single : A 75 LYS NZ :NH3+ -177:sc= -1.12! (180deg=-1.97!) USER MOD Single : A 77 GLN :FLIP amide:sc= -1.12 F(o=-6.1!,f=-1.1) USER MOD Single : A 78 GLN :FLIP amide:sc=-0.00921 F(o=-1,f=-0.0092) USER MOD Single : A 82 MET CE :methyl -103:sc= -1.72 (180deg=-6.33!) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 5 0.906 -18.930 2.052 1.00 0.00 N ATOM 2 CA GLY A 5 0.253 -17.659 1.842 1.00 0.00 C ATOM 3 C GLY A 5 -1.000 -17.530 2.676 1.00 0.00 C ATOM 4 O GLY A 5 -0.921 -17.337 3.888 1.00 0.00 O ATOM 0 HA2 GLY A 5 0.941 -16.851 2.091 1.00 0.00 H new ATOM 0 HA3 GLY A 5 0.001 -17.549 0.787 1.00 0.00 H new ATOM 8 N GLN A 6 -2.152 -17.667 2.024 1.00 0.00 N ATOM 9 CA GLN A 6 -3.451 -17.522 2.679 1.00 0.00 C ATOM 10 C GLN A 6 -3.531 -16.167 3.383 1.00 0.00 C ATOM 11 O GLN A 6 -3.724 -16.089 4.598 1.00 0.00 O ATOM 12 CB GLN A 6 -3.690 -18.669 3.670 1.00 0.00 C ATOM 13 CG GLN A 6 -5.100 -18.706 4.238 1.00 0.00 C ATOM 14 CD GLN A 6 -5.300 -19.807 5.261 1.00 0.00 C ATOM 15 OE1 GLN A 6 -4.584 -20.909 5.105 1.00 0.00 O flip ATOM 16 NE2 GLN A 6 -6.095 -19.667 6.192 1.00 0.00 N flip ATOM 0 H GLN A 6 -2.212 -17.881 1.029 1.00 0.00 H new ATOM 0 HA GLN A 6 -4.234 -17.567 1.922 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -3.484 -19.616 3.171 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -2.980 -18.581 4.492 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -5.325 -17.744 4.699 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -5.810 -18.842 3.423 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -6.630 -18.803 6.280 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -6.218 -20.415 6.874 1.00 0.00 H new ATOM 25 N PHE A 7 -3.377 -15.104 2.590 1.00 0.00 N ATOM 26 CA PHE A 7 -3.340 -13.733 3.098 1.00 0.00 C ATOM 27 C PHE A 7 -2.163 -13.571 4.057 1.00 0.00 C ATOM 28 O PHE A 7 -1.028 -13.390 3.619 1.00 0.00 O ATOM 29 CB PHE A 7 -4.655 -13.355 3.797 1.00 0.00 C ATOM 30 CG PHE A 7 -5.888 -13.862 3.099 1.00 0.00 C ATOM 31 CD1 PHE A 7 -6.166 -13.500 1.792 1.00 0.00 C ATOM 32 CD2 PHE A 7 -6.765 -14.711 3.753 1.00 0.00 C ATOM 33 CE1 PHE A 7 -7.297 -13.968 1.152 1.00 0.00 C ATOM 34 CE2 PHE A 7 -7.899 -15.182 3.121 1.00 0.00 C ATOM 35 CZ PHE A 7 -8.163 -14.814 1.817 1.00 0.00 C ATOM 0 H PHE A 7 -3.275 -15.171 1.577 1.00 0.00 H new ATOM 0 HA PHE A 7 -3.213 -13.059 2.251 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -4.639 -13.746 4.814 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -4.714 -12.269 3.874 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -5.489 -12.843 1.266 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -6.559 -15.009 4.771 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -7.504 -13.673 0.134 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -8.578 -15.837 3.646 1.00 0.00 H new ATOM 0 HZ PHE A 7 -9.045 -15.187 1.318 1.00 0.00 H new ATOM 45 N HIS A 8 -2.449 -13.668 5.360 1.00 0.00 N ATOM 46 CA HIS A 8 -1.418 -13.710 6.398 1.00 0.00 C ATOM 47 C HIS A 8 -0.619 -12.402 6.463 1.00 0.00 C ATOM 48 O HIS A 8 -0.861 -11.469 5.699 1.00 0.00 O ATOM 49 CB HIS A 8 -0.491 -14.906 6.148 1.00 0.00 C ATOM 50 CG HIS A 8 -0.043 -15.589 7.401 1.00 0.00 C ATOM 51 ND1 HIS A 8 1.273 -15.889 7.664 1.00 0.00 N ATOM 52 CD2 HIS A 8 -0.752 -16.050 8.460 1.00 0.00 C ATOM 53 CE1 HIS A 8 1.360 -16.501 8.828 1.00 0.00 C ATOM 54 NE2 HIS A 8 0.147 -16.610 9.332 1.00 0.00 N ATOM 0 H HIS A 8 -3.401 -13.719 5.722 1.00 0.00 H new ATOM 0 HA HIS A 8 -1.908 -13.828 7.364 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -1.006 -15.628 5.515 1.00 0.00 H new ATOM 0 HB3 HIS A 8 0.385 -14.566 5.596 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -1.822 -15.988 8.592 1.00 0.00 H new ATOM 0 HE1 HIS A 8 2.270 -16.853 9.290 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -0.086 -17.041 10.226 1.00 0.00 H new ATOM 63 N ASP A 9 0.301 -12.315 7.419 1.00 0.00 N ATOM 64 CA ASP A 9 1.131 -11.126 7.578 1.00 0.00 C ATOM 65 C ASP A 9 2.553 -11.388 7.112 1.00 0.00 C ATOM 66 O ASP A 9 3.422 -11.733 7.917 1.00 0.00 O ATOM 67 CB ASP A 9 1.151 -10.655 9.036 1.00 0.00 C ATOM 68 CG ASP A 9 -0.154 -10.021 9.466 1.00 0.00 C ATOM 69 OD1 ASP A 9 -0.431 -8.882 9.039 1.00 0.00 O ATOM 70 OD2 ASP A 9 -0.907 -10.654 10.234 1.00 0.00 O ATOM 0 H ASP A 9 0.490 -13.054 8.096 1.00 0.00 H new ATOM 0 HA ASP A 9 0.693 -10.342 6.960 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.368 -11.504 9.684 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.960 -9.937 9.170 1.00 0.00 H new ATOM 75 N ASN A 10 2.782 -11.220 5.816 1.00 0.00 N ATOM 76 CA ASN A 10 4.107 -11.400 5.228 1.00 0.00 C ATOM 77 C ASN A 10 4.045 -11.153 3.730 1.00 0.00 C ATOM 78 O ASN A 10 4.422 -10.084 3.247 1.00 0.00 O ATOM 79 CB ASN A 10 4.648 -12.811 5.498 1.00 0.00 C ATOM 80 CG ASN A 10 6.013 -13.057 4.877 1.00 0.00 C ATOM 81 OD1 ASN A 10 6.839 -12.150 4.767 1.00 0.00 O ATOM 82 ND2 ASN A 10 6.254 -14.289 4.454 1.00 0.00 N ATOM 0 H ASN A 10 2.061 -10.957 5.145 1.00 0.00 H new ATOM 0 HA ASN A 10 4.783 -10.681 5.691 1.00 0.00 H new ATOM 0 HB2 ASN A 10 4.712 -12.969 6.575 1.00 0.00 H new ATOM 0 HB3 ASN A 10 3.942 -13.545 5.110 1.00 0.00 H new ATOM 0 HD21 ASN A 10 7.149 -14.513 4.020 1.00 0.00 H new ATOM 0 HD22 ASN A 10 5.544 -15.014 4.563 1.00 0.00 H new ATOM 89 N ALA A 11 3.529 -12.140 3.013 1.00 0.00 N ATOM 90 CA ALA A 11 3.421 -12.080 1.565 1.00 0.00 C ATOM 91 C ALA A 11 2.623 -13.271 1.064 1.00 0.00 C ATOM 92 O ALA A 11 3.144 -14.383 0.976 1.00 0.00 O ATOM 93 CB ALA A 11 4.801 -12.054 0.916 1.00 0.00 C ATOM 0 H ALA A 11 3.173 -13.005 3.420 1.00 0.00 H new ATOM 0 HA ALA A 11 2.905 -11.160 1.291 1.00 0.00 H new ATOM 0 HB1 ALA A 11 4.693 -12.009 -0.168 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.350 -11.178 1.262 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.348 -12.956 1.189 1.00 0.00 H new ATOM 99 N ASN A 12 1.352 -13.045 0.779 1.00 0.00 N ATOM 100 CA ASN A 12 0.485 -14.099 0.275 1.00 0.00 C ATOM 101 C ASN A 12 0.930 -14.549 -1.117 1.00 0.00 C ATOM 102 O ASN A 12 0.899 -13.782 -2.078 1.00 0.00 O ATOM 103 CB ASN A 12 -0.983 -13.637 0.278 1.00 0.00 C ATOM 104 CG ASN A 12 -1.254 -12.424 -0.604 1.00 0.00 C ATOM 105 OD1 ASN A 12 -1.660 -12.558 -1.758 1.00 0.00 O ATOM 106 ND2 ASN A 12 -1.040 -11.232 -0.067 1.00 0.00 N ATOM 0 H ASN A 12 0.896 -12.139 0.888 1.00 0.00 H new ATOM 0 HA ASN A 12 0.564 -14.961 0.938 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -1.613 -14.462 -0.053 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -1.277 -13.402 1.301 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -1.212 -10.388 -0.613 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -0.703 -11.158 0.893 1.00 0.00 H new ATOM 113 N GLY A 13 1.379 -15.795 -1.202 1.00 0.00 N ATOM 114 CA GLY A 13 1.850 -16.333 -2.463 1.00 0.00 C ATOM 115 C GLY A 13 3.333 -16.088 -2.668 1.00 0.00 C ATOM 116 O GLY A 13 4.172 -16.856 -2.189 1.00 0.00 O ATOM 0 H GLY A 13 1.425 -16.444 -0.417 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.652 -17.404 -2.497 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.291 -15.880 -3.282 1.00 0.00 H new ATOM 120 N GLY A 14 3.653 -15.015 -3.375 1.00 0.00 N ATOM 121 CA GLY A 14 5.039 -14.662 -3.611 1.00 0.00 C ATOM 122 C GLY A 14 5.409 -13.362 -2.928 1.00 0.00 C ATOM 123 O GLY A 14 5.955 -13.363 -1.824 1.00 0.00 O ATOM 0 H GLY A 14 2.974 -14.378 -3.792 1.00 0.00 H new ATOM 0 HA2 GLY A 14 5.685 -15.461 -3.248 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.215 -14.573 -4.683 1.00 0.00 H new ATOM 127 N GLN A 15 5.121 -12.251 -3.586 1.00 0.00 N ATOM 128 CA GLN A 15 5.320 -10.940 -2.992 1.00 0.00 C ATOM 129 C GLN A 15 4.051 -10.118 -3.144 1.00 0.00 C ATOM 130 O GLN A 15 3.709 -9.707 -4.256 1.00 0.00 O ATOM 131 CB GLN A 15 6.494 -10.210 -3.651 1.00 0.00 C ATOM 132 CG GLN A 15 6.860 -8.913 -2.947 1.00 0.00 C ATOM 133 CD GLN A 15 7.908 -8.112 -3.691 1.00 0.00 C ATOM 134 OE1 GLN A 15 7.872 -8.161 -5.013 1.00 0.00 O flip ATOM 135 NE2 GLN A 15 8.733 -7.429 -3.082 1.00 0.00 N flip ATOM 0 H GLN A 15 4.747 -12.232 -4.535 1.00 0.00 H new ATOM 0 HA GLN A 15 5.551 -11.070 -1.935 1.00 0.00 H new ATOM 0 HB2 GLN A 15 7.363 -10.868 -3.663 1.00 0.00 H new ATOM 0 HB3 GLN A 15 6.243 -9.995 -4.690 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.963 -8.305 -2.827 1.00 0.00 H new ATOM 0 HG3 GLN A 15 7.227 -9.140 -1.946 1.00 0.00 H new ATOM 0 HE21 GLN A 15 8.731 -7.416 -2.062 1.00 0.00 H new ATOM 0 HE22 GLN A 15 9.418 -6.877 -3.598 1.00 0.00 H new ATOM 144 N ASN A 16 3.353 -9.902 -2.030 1.00 0.00 N ATOM 145 CA ASN A 16 2.109 -9.130 -2.023 1.00 0.00 C ATOM 146 C ASN A 16 1.019 -9.850 -2.824 1.00 0.00 C ATOM 147 O ASN A 16 1.217 -10.968 -3.297 1.00 0.00 O ATOM 148 CB ASN A 16 2.343 -7.725 -2.602 1.00 0.00 C ATOM 149 CG ASN A 16 3.404 -6.929 -1.856 1.00 0.00 C ATOM 150 OD1 ASN A 16 3.510 -7.134 -0.550 1.00 0.00 O flip ATOM 151 ND2 ASN A 16 4.122 -6.128 -2.455 1.00 0.00 N flip ATOM 0 H ASN A 16 3.630 -10.253 -1.113 1.00 0.00 H new ATOM 0 HA ASN A 16 1.777 -9.035 -0.989 1.00 0.00 H new ATOM 0 HB2 ASN A 16 2.637 -7.816 -3.648 1.00 0.00 H new ATOM 0 HB3 ASN A 16 1.404 -7.172 -2.582 1.00 0.00 H new ATOM 0 HD21 ASN A 16 4.011 -5.997 -3.460 1.00 0.00 H new ATOM 0 HD22 ASN A 16 4.827 -5.596 -1.946 1.00 0.00 H new ATOM 158 N GLY A 17 -0.138 -9.213 -2.957 1.00 0.00 N ATOM 159 CA GLY A 17 -1.225 -9.805 -3.711 1.00 0.00 C ATOM 160 C GLY A 17 -2.319 -8.804 -4.013 1.00 0.00 C ATOM 161 O GLY A 17 -2.478 -8.373 -5.154 1.00 0.00 O ATOM 0 H GLY A 17 -0.342 -8.298 -2.556 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.838 -10.212 -4.645 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.643 -10.640 -3.149 1.00 0.00 H new ATOM 165 N THR A 18 -3.061 -8.422 -2.985 1.00 0.00 N ATOM 166 CA THR A 18 -4.135 -7.459 -3.135 1.00 0.00 C ATOM 167 C THR A 18 -3.574 -6.058 -3.346 1.00 0.00 C ATOM 168 O THR A 18 -2.628 -5.650 -2.667 1.00 0.00 O ATOM 169 CB THR A 18 -5.060 -7.469 -1.899 1.00 0.00 C ATOM 170 OG1 THR A 18 -5.630 -8.775 -1.740 1.00 0.00 O ATOM 171 CG2 THR A 18 -6.175 -6.437 -2.023 1.00 0.00 C ATOM 0 H THR A 18 -2.936 -8.768 -2.034 1.00 0.00 H new ATOM 0 HA THR A 18 -4.718 -7.744 -4.011 1.00 0.00 H new ATOM 0 HB THR A 18 -4.460 -7.212 -1.026 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.538 -8.694 -1.379 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.805 -6.474 -1.134 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.741 -5.442 -2.119 1.00 0.00 H new ATOM 0 HG23 THR A 18 -6.777 -6.656 -2.905 1.00 0.00 H new ATOM 179 N VAL A 19 -4.139 -5.342 -4.305 1.00 0.00 N ATOM 180 CA VAL A 19 -3.728 -3.981 -4.581 1.00 0.00 C ATOM 181 C VAL A 19 -4.939 -3.049 -4.638 1.00 0.00 C ATOM 182 O VAL A 19 -5.898 -3.295 -5.371 1.00 0.00 O ATOM 183 CB VAL A 19 -2.906 -3.882 -5.893 1.00 0.00 C ATOM 184 CG1 VAL A 19 -3.671 -4.472 -7.071 1.00 0.00 C ATOM 185 CG2 VAL A 19 -2.510 -2.438 -6.179 1.00 0.00 C ATOM 0 H VAL A 19 -4.887 -5.686 -4.907 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.082 -3.666 -3.762 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.996 -4.467 -5.757 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.068 -4.387 -7.975 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.887 -5.522 -6.875 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.606 -3.929 -7.206 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.935 -2.395 -7.104 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.408 -1.828 -6.281 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.904 -2.057 -5.357 1.00 0.00 H new ATOM 195 N GLN A 20 -4.909 -2.006 -3.823 1.00 0.00 N ATOM 196 CA GLN A 20 -5.939 -0.978 -3.854 1.00 0.00 C ATOM 197 C GLN A 20 -5.363 0.313 -4.403 1.00 0.00 C ATOM 198 O GLN A 20 -4.461 0.899 -3.804 1.00 0.00 O ATOM 199 CB GLN A 20 -6.524 -0.739 -2.457 1.00 0.00 C ATOM 200 CG GLN A 20 -7.274 -1.940 -1.901 1.00 0.00 C ATOM 201 CD GLN A 20 -7.836 -1.717 -0.505 1.00 0.00 C ATOM 202 OE1 GLN A 20 -7.929 -2.652 0.289 1.00 0.00 O ATOM 203 NE2 GLN A 20 -8.257 -0.499 -0.199 1.00 0.00 N ATOM 0 H GLN A 20 -4.179 -1.848 -3.128 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.744 -1.321 -4.504 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.717 -0.476 -1.773 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.200 0.115 -2.496 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -8.092 -2.191 -2.576 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.603 -2.799 -1.880 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -8.167 0.257 -0.878 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -8.671 -0.317 0.715 1.00 0.00 H new ATOM 212 N GLU A 21 -5.851 0.731 -5.562 1.00 0.00 N ATOM 213 CA GLU A 21 -5.434 1.995 -6.139 1.00 0.00 C ATOM 214 C GLU A 21 -6.341 3.115 -5.676 1.00 0.00 C ATOM 215 O GLU A 21 -7.539 3.122 -5.961 1.00 0.00 O ATOM 216 CB GLU A 21 -5.407 1.930 -7.664 1.00 0.00 C ATOM 217 CG GLU A 21 -4.321 1.020 -8.193 1.00 0.00 C ATOM 218 CD GLU A 21 -4.123 1.149 -9.687 1.00 0.00 C ATOM 219 OE1 GLU A 21 -4.933 0.582 -10.446 1.00 0.00 O ATOM 220 OE2 GLU A 21 -3.158 1.815 -10.110 1.00 0.00 O ATOM 0 H GLU A 21 -6.533 0.214 -6.117 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.420 2.198 -5.794 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -6.375 1.582 -8.025 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.260 2.934 -8.063 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.383 1.248 -7.686 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.570 -0.013 -7.952 1.00 0.00 H new ATOM 227 N ILE A 22 -5.767 4.050 -4.945 1.00 0.00 N ATOM 228 CA ILE A 22 -6.524 5.176 -4.428 1.00 0.00 C ATOM 229 C ILE A 22 -6.224 6.420 -5.249 1.00 0.00 C ATOM 230 O ILE A 22 -5.074 6.665 -5.602 1.00 0.00 O ATOM 231 CB ILE A 22 -6.191 5.458 -2.944 1.00 0.00 C ATOM 232 CG1 ILE A 22 -6.194 4.160 -2.132 1.00 0.00 C ATOM 233 CG2 ILE A 22 -7.186 6.449 -2.352 1.00 0.00 C ATOM 234 CD1 ILE A 22 -7.527 3.440 -2.127 1.00 0.00 C ATOM 0 H ILE A 22 -4.778 4.053 -4.695 1.00 0.00 H new ATOM 0 HA ILE A 22 -7.581 4.921 -4.500 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.193 5.894 -2.897 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -5.433 3.491 -2.533 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -5.911 4.386 -1.104 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.936 6.635 -1.308 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -7.142 7.385 -2.908 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.193 6.036 -2.416 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.447 2.531 -1.531 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -8.290 4.090 -1.698 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.804 3.181 -3.149 1.00 0.00 H new ATOM 246 N MET A 23 -7.258 7.187 -5.563 1.00 0.00 N ATOM 247 CA MET A 23 -7.103 8.440 -6.280 1.00 0.00 C ATOM 248 C MET A 23 -6.891 9.558 -5.277 1.00 0.00 C ATOM 249 O MET A 23 -7.850 10.107 -4.731 1.00 0.00 O ATOM 250 CB MET A 23 -8.341 8.724 -7.129 1.00 0.00 C ATOM 251 CG MET A 23 -8.624 7.666 -8.183 1.00 0.00 C ATOM 252 SD MET A 23 -7.793 7.960 -9.765 1.00 0.00 S ATOM 253 CE MET A 23 -6.073 7.653 -9.364 1.00 0.00 C ATOM 0 H MET A 23 -8.224 6.958 -5.328 1.00 0.00 H new ATOM 0 HA MET A 23 -6.241 8.374 -6.944 1.00 0.00 H new ATOM 0 HB2 MET A 23 -9.207 8.809 -6.473 1.00 0.00 H new ATOM 0 HB3 MET A 23 -8.218 9.689 -7.621 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.317 6.694 -7.798 1.00 0.00 H new ATOM 0 HG3 MET A 23 -9.699 7.616 -8.353 1.00 0.00 H new ATOM 0 HE1 MET A 23 -5.581 7.179 -10.213 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.578 8.597 -9.139 1.00 0.00 H new ATOM 0 HE3 MET A 23 -6.013 6.996 -8.496 1.00 0.00 H new ATOM 263 N ILE A 24 -5.637 9.866 -5.015 1.00 0.00 N ATOM 264 CA ILE A 24 -5.293 10.842 -3.998 1.00 0.00 C ATOM 265 C ILE A 24 -5.507 12.259 -4.507 1.00 0.00 C ATOM 266 O ILE A 24 -5.046 12.605 -5.590 1.00 0.00 O ATOM 267 CB ILE A 24 -3.823 10.702 -3.557 1.00 0.00 C ATOM 268 CG1 ILE A 24 -3.494 9.245 -3.205 1.00 0.00 C ATOM 269 CG2 ILE A 24 -3.536 11.623 -2.384 1.00 0.00 C ATOM 270 CD1 ILE A 24 -4.447 8.623 -2.209 1.00 0.00 C ATOM 0 H ILE A 24 -4.836 9.454 -5.493 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.947 10.651 -3.147 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.183 10.995 -4.389 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.501 8.651 -4.119 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.482 9.199 -2.802 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.494 11.514 -2.082 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.723 12.656 -2.678 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.185 11.361 -1.548 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.147 7.594 -2.012 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.424 9.192 -1.279 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.458 8.635 -2.616 1.00 0.00 H new ATOM 282 N PRO A 25 -6.230 13.089 -3.741 1.00 0.00 N ATOM 283 CA PRO A 25 -6.357 14.510 -4.041 1.00 0.00 C ATOM 284 C PRO A 25 -4.985 15.149 -4.209 1.00 0.00 C ATOM 285 O PRO A 25 -4.136 15.043 -3.323 1.00 0.00 O ATOM 286 CB PRO A 25 -7.070 15.076 -2.809 1.00 0.00 C ATOM 287 CG PRO A 25 -7.821 13.922 -2.244 1.00 0.00 C ATOM 288 CD PRO A 25 -6.995 12.702 -2.546 1.00 0.00 C ATOM 0 HA PRO A 25 -6.896 14.701 -4.969 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -6.357 15.476 -2.088 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.741 15.891 -3.079 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -7.966 14.039 -1.170 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -8.811 13.844 -2.693 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -6.338 12.447 -1.715 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -7.622 11.831 -2.736 1.00 0.00 H new ATOM 296 N ALA A 26 -4.774 15.805 -5.347 1.00 0.00 N ATOM 297 CA ALA A 26 -3.466 16.357 -5.697 1.00 0.00 C ATOM 298 C ALA A 26 -2.957 17.339 -4.645 1.00 0.00 C ATOM 299 O ALA A 26 -1.749 17.501 -4.473 1.00 0.00 O ATOM 300 CB ALA A 26 -3.516 17.016 -7.069 1.00 0.00 C ATOM 0 H ALA A 26 -5.497 15.969 -6.048 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.760 15.527 -5.730 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -2.534 17.422 -7.314 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.800 16.277 -7.818 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.249 17.822 -7.059 1.00 0.00 H new ATOM 306 N GLY A 27 -3.876 17.984 -3.941 1.00 0.00 N ATOM 307 CA GLY A 27 -3.493 18.895 -2.878 1.00 0.00 C ATOM 308 C GLY A 27 -3.147 18.172 -1.590 1.00 0.00 C ATOM 309 O GLY A 27 -2.305 18.628 -0.818 1.00 0.00 O ATOM 0 H GLY A 27 -4.882 17.894 -4.086 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.636 19.485 -3.201 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.309 19.593 -2.691 1.00 0.00 H new ATOM 313 N LYS A 28 -3.786 17.032 -1.363 1.00 0.00 N ATOM 314 CA LYS A 28 -3.574 16.265 -0.140 1.00 0.00 C ATOM 315 C LYS A 28 -2.432 15.269 -0.304 1.00 0.00 C ATOM 316 O LYS A 28 -2.038 14.602 0.651 1.00 0.00 O ATOM 317 CB LYS A 28 -4.853 15.534 0.264 1.00 0.00 C ATOM 318 CG LYS A 28 -5.812 16.393 1.067 1.00 0.00 C ATOM 319 CD LYS A 28 -5.272 16.663 2.456 1.00 0.00 C ATOM 320 CE LYS A 28 -6.055 17.744 3.182 1.00 0.00 C ATOM 321 NZ LYS A 28 -7.450 17.333 3.501 1.00 0.00 N ATOM 0 H LYS A 28 -4.456 16.617 -2.010 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.304 16.967 0.649 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.359 15.180 -0.634 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.589 14.653 0.849 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.980 17.337 0.549 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.778 15.894 1.140 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -5.302 15.743 3.040 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.226 16.962 2.385 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -5.537 18.002 4.106 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.078 18.644 2.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -8.112 18.064 3.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.664 16.433 3.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -7.550 17.214 4.529 1.00 0.00 H new ATOM 335 N ALA A 29 -1.893 15.193 -1.516 1.00 0.00 N ATOM 336 CA ALA A 29 -0.818 14.257 -1.834 1.00 0.00 C ATOM 337 C ALA A 29 0.393 14.462 -0.932 1.00 0.00 C ATOM 338 O ALA A 29 1.131 13.519 -0.645 1.00 0.00 O ATOM 339 CB ALA A 29 -0.417 14.392 -3.294 1.00 0.00 C ATOM 0 H ALA A 29 -2.186 15.774 -2.302 1.00 0.00 H new ATOM 0 HA ALA A 29 -1.194 13.249 -1.658 1.00 0.00 H new ATOM 0 HB1 ALA A 29 0.385 13.689 -3.518 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -1.276 14.176 -3.929 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -0.072 15.408 -3.484 1.00 0.00 H new ATOM 345 N GLY A 30 0.579 15.693 -0.472 1.00 0.00 N ATOM 346 CA GLY A 30 1.701 16.004 0.391 1.00 0.00 C ATOM 347 C GLY A 30 1.663 15.243 1.706 1.00 0.00 C ATOM 348 O GLY A 30 2.706 14.984 2.303 1.00 0.00 O ATOM 0 H GLY A 30 -0.030 16.484 -0.683 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.630 15.772 -0.131 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.709 17.074 0.596 1.00 0.00 H new ATOM 352 N LEU A 31 0.468 14.861 2.145 1.00 0.00 N ATOM 353 CA LEU A 31 0.311 14.159 3.415 1.00 0.00 C ATOM 354 C LEU A 31 0.674 12.685 3.284 1.00 0.00 C ATOM 355 O LEU A 31 1.302 12.118 4.176 1.00 0.00 O ATOM 356 CB LEU A 31 -1.121 14.299 3.938 1.00 0.00 C ATOM 357 CG LEU A 31 -1.535 15.722 4.314 1.00 0.00 C ATOM 358 CD1 LEU A 31 -2.942 15.732 4.887 1.00 0.00 C ATOM 359 CD2 LEU A 31 -0.552 16.314 5.312 1.00 0.00 C ATOM 0 H LEU A 31 -0.404 15.025 1.642 1.00 0.00 H new ATOM 0 HA LEU A 31 0.996 14.618 4.129 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.808 13.926 3.178 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.236 13.660 4.813 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.525 16.334 3.412 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.221 16.753 5.149 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.640 15.345 4.145 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.976 15.106 5.779 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.861 17.327 5.570 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.534 15.700 6.213 1.00 0.00 H new ATOM 0 HD23 LEU A 31 0.444 16.340 4.870 1.00 0.00 H new ATOM 371 N VAL A 32 0.284 12.073 2.170 1.00 0.00 N ATOM 372 CA VAL A 32 0.592 10.663 1.927 1.00 0.00 C ATOM 373 C VAL A 32 2.094 10.474 1.778 1.00 0.00 C ATOM 374 O VAL A 32 2.660 9.483 2.237 1.00 0.00 O ATOM 375 CB VAL A 32 -0.104 10.103 0.664 1.00 0.00 C ATOM 376 CG1 VAL A 32 -0.935 8.880 1.010 1.00 0.00 C ATOM 377 CG2 VAL A 32 -0.965 11.156 -0.012 1.00 0.00 C ATOM 0 H VAL A 32 -0.243 12.526 1.424 1.00 0.00 H new ATOM 0 HA VAL A 32 0.215 10.113 2.789 1.00 0.00 H new ATOM 0 HB VAL A 32 0.675 9.810 -0.039 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.417 8.501 0.109 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.289 8.108 1.429 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.696 9.152 1.741 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.438 10.727 -0.895 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.733 11.498 0.681 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.342 12.000 -0.308 1.00 0.00 H new ATOM 387 N ILE A 33 2.734 11.438 1.128 1.00 0.00 N ATOM 388 CA ILE A 33 4.181 11.430 0.991 1.00 0.00 C ATOM 389 C ILE A 33 4.821 11.771 2.332 1.00 0.00 C ATOM 390 O ILE A 33 5.793 11.146 2.760 1.00 0.00 O ATOM 391 CB ILE A 33 4.649 12.443 -0.075 1.00 0.00 C ATOM 392 CG1 ILE A 33 3.891 12.226 -1.388 1.00 0.00 C ATOM 393 CG2 ILE A 33 6.149 12.323 -0.305 1.00 0.00 C ATOM 394 CD1 ILE A 33 4.135 13.311 -2.417 1.00 0.00 C ATOM 0 H ILE A 33 2.272 12.234 0.688 1.00 0.00 H new ATOM 0 HA ILE A 33 4.488 10.434 0.672 1.00 0.00 H new ATOM 0 HB ILE A 33 4.435 13.448 0.289 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.182 11.264 -1.811 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.823 12.171 -1.176 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.460 13.045 -1.060 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.677 12.522 0.627 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.385 11.316 -0.648 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.566 13.090 -3.320 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.818 14.273 -2.014 1.00 0.00 H new ATOM 0 HD13 ILE A 33 5.197 13.351 -2.658 1.00 0.00 H new ATOM 406 N GLY A 34 4.243 12.762 2.997 1.00 0.00 N ATOM 407 CA GLY A 34 4.694 13.152 4.314 1.00 0.00 C ATOM 408 C GLY A 34 5.566 14.371 4.289 1.00 0.00 C ATOM 409 O GLY A 34 6.555 14.454 5.016 1.00 0.00 O ATOM 0 H GLY A 34 3.459 13.308 2.640 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.828 13.342 4.948 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.244 12.326 4.765 1.00 0.00 H new ATOM 413 N LYS A 35 5.187 15.315 3.441 1.00 0.00 N ATOM 414 CA LYS A 35 5.899 16.572 3.290 1.00 0.00 C ATOM 415 C LYS A 35 7.387 16.343 3.019 1.00 0.00 C ATOM 416 O LYS A 35 8.241 17.089 3.497 1.00 0.00 O ATOM 417 CB LYS A 35 5.710 17.468 4.521 1.00 0.00 C ATOM 418 CG LYS A 35 4.278 17.947 4.728 1.00 0.00 C ATOM 419 CD LYS A 35 3.495 17.045 5.673 1.00 0.00 C ATOM 420 CE LYS A 35 4.052 17.107 7.087 1.00 0.00 C ATOM 421 NZ LYS A 35 3.237 16.315 8.043 1.00 0.00 N ATOM 0 H LYS A 35 4.371 15.229 2.835 1.00 0.00 H new ATOM 0 HA LYS A 35 5.473 17.083 2.426 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.031 16.921 5.408 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.362 18.336 4.429 1.00 0.00 H new ATOM 0 HG2 LYS A 35 4.291 18.962 5.126 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.769 17.989 3.765 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.447 17.345 5.680 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.531 16.018 5.311 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.076 16.735 7.089 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.089 18.145 7.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.652 16.385 8.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.265 16.686 8.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.222 15.319 7.744 1.00 0.00 H new ATOM 435 N GLY A 36 7.691 15.304 2.253 1.00 0.00 N ATOM 436 CA GLY A 36 9.074 14.991 1.951 1.00 0.00 C ATOM 437 C GLY A 36 9.252 13.553 1.522 1.00 0.00 C ATOM 438 O GLY A 36 9.875 13.279 0.496 1.00 0.00 O ATOM 0 H GLY A 36 7.006 14.673 1.836 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.430 15.651 1.160 1.00 0.00 H new ATOM 0 HA3 GLY A 36 9.689 15.185 2.830 1.00 0.00 H new ATOM 442 N GLY A 37 8.688 12.632 2.293 1.00 0.00 N ATOM 443 CA GLY A 37 8.805 11.225 1.956 1.00 0.00 C ATOM 444 C GLY A 37 8.901 10.319 3.169 1.00 0.00 C ATOM 445 O GLY A 37 8.880 9.097 3.037 1.00 0.00 O ATOM 0 H GLY A 37 8.155 12.831 3.140 1.00 0.00 H new ATOM 0 HA2 GLY A 37 7.942 10.929 1.359 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.688 11.081 1.334 1.00 0.00 H new ATOM 449 N GLU A 38 9.005 10.906 4.351 1.00 0.00 N ATOM 450 CA GLU A 38 9.124 10.121 5.571 1.00 0.00 C ATOM 451 C GLU A 38 7.862 9.310 5.855 1.00 0.00 C ATOM 452 O GLU A 38 7.945 8.147 6.252 1.00 0.00 O ATOM 453 CB GLU A 38 9.455 11.025 6.755 1.00 0.00 C ATOM 454 CG GLU A 38 10.867 11.574 6.707 1.00 0.00 C ATOM 455 CD GLU A 38 11.894 10.478 6.523 1.00 0.00 C ATOM 456 OE1 GLU A 38 12.126 9.704 7.473 1.00 0.00 O ATOM 457 OE2 GLU A 38 12.472 10.381 5.423 1.00 0.00 O ATOM 0 H GLU A 38 9.010 11.916 4.492 1.00 0.00 H new ATOM 0 HA GLU A 38 9.940 9.413 5.425 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.749 11.855 6.779 1.00 0.00 H new ATOM 0 HB3 GLU A 38 9.320 10.465 7.681 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.950 12.290 5.889 1.00 0.00 H new ATOM 0 HG3 GLU A 38 11.077 12.117 7.629 1.00 0.00 H new ATOM 464 N THR A 39 6.699 9.911 5.631 1.00 0.00 N ATOM 465 CA THR A 39 5.434 9.246 5.906 1.00 0.00 C ATOM 466 C THR A 39 5.266 7.998 5.045 1.00 0.00 C ATOM 467 O THR A 39 5.065 6.909 5.576 1.00 0.00 O ATOM 468 CB THR A 39 4.240 10.196 5.693 1.00 0.00 C ATOM 469 OG1 THR A 39 4.370 11.326 6.563 1.00 0.00 O ATOM 470 CG2 THR A 39 2.913 9.498 5.965 1.00 0.00 C ATOM 0 H THR A 39 6.607 10.857 5.260 1.00 0.00 H new ATOM 0 HA THR A 39 5.453 8.946 6.954 1.00 0.00 H new ATOM 0 HB THR A 39 4.246 10.518 4.652 1.00 0.00 H new ATOM 0 HG1 THR A 39 3.541 11.849 6.546 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.094 10.199 5.805 1.00 0.00 H new ATOM 0 HG22 THR A 39 2.803 8.650 5.289 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.892 9.145 6.996 1.00 0.00 H new ATOM 478 N ILE A 40 5.382 8.150 3.724 1.00 0.00 N ATOM 479 CA ILE A 40 5.224 7.017 2.807 1.00 0.00 C ATOM 480 C ILE A 40 6.232 5.904 3.123 1.00 0.00 C ATOM 481 O ILE A 40 5.950 4.717 2.945 1.00 0.00 O ATOM 482 CB ILE A 40 5.357 7.452 1.325 1.00 0.00 C ATOM 483 CG1 ILE A 40 5.270 6.237 0.391 1.00 0.00 C ATOM 484 CG2 ILE A 40 6.651 8.213 1.090 1.00 0.00 C ATOM 485 CD1 ILE A 40 5.488 6.570 -1.070 1.00 0.00 C ATOM 0 H ILE A 40 5.583 9.039 3.267 1.00 0.00 H new ATOM 0 HA ILE A 40 4.216 6.628 2.955 1.00 0.00 H new ATOM 0 HB ILE A 40 4.527 8.121 1.099 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.011 5.500 0.700 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.291 5.772 0.506 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.716 8.505 0.042 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.668 9.105 1.717 1.00 0.00 H new ATOM 0 HG23 ILE A 40 7.499 7.576 1.343 1.00 0.00 H new ATOM 0 HD11 ILE A 40 5.411 5.661 -1.666 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.732 7.283 -1.397 1.00 0.00 H new ATOM 0 HD13 ILE A 40 6.478 7.006 -1.200 1.00 0.00 H new ATOM 497 N LYS A 41 7.393 6.299 3.624 1.00 0.00 N ATOM 498 CA LYS A 41 8.426 5.354 4.014 1.00 0.00 C ATOM 499 C LYS A 41 7.988 4.595 5.269 1.00 0.00 C ATOM 500 O LYS A 41 8.150 3.381 5.360 1.00 0.00 O ATOM 501 CB LYS A 41 9.745 6.117 4.231 1.00 0.00 C ATOM 502 CG LYS A 41 10.917 5.273 4.723 1.00 0.00 C ATOM 503 CD LYS A 41 10.938 5.129 6.240 1.00 0.00 C ATOM 504 CE LYS A 41 11.072 6.470 6.949 1.00 0.00 C ATOM 505 NZ LYS A 41 12.363 7.143 6.653 1.00 0.00 N ATOM 0 H LYS A 41 7.644 7.277 3.771 1.00 0.00 H new ATOM 0 HA LYS A 41 8.585 4.616 3.228 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.030 6.591 3.291 1.00 0.00 H new ATOM 0 HB3 LYS A 41 9.568 6.917 4.950 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.864 4.284 4.268 1.00 0.00 H new ATOM 0 HG3 LYS A 41 11.851 5.726 4.392 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.022 4.638 6.568 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.767 4.484 6.529 1.00 0.00 H new ATOM 0 HE2 LYS A 41 10.250 7.120 6.649 1.00 0.00 H new ATOM 0 HE3 LYS A 41 10.983 6.319 8.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 12.457 7.991 7.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.148 6.491 6.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.389 7.419 5.651 1.00 0.00 H new ATOM 519 N GLN A 42 7.394 5.319 6.211 1.00 0.00 N ATOM 520 CA GLN A 42 6.932 4.737 7.466 1.00 0.00 C ATOM 521 C GLN A 42 5.740 3.818 7.234 1.00 0.00 C ATOM 522 O GLN A 42 5.622 2.768 7.864 1.00 0.00 O ATOM 523 CB GLN A 42 6.548 5.846 8.449 1.00 0.00 C ATOM 524 CG GLN A 42 7.740 6.564 9.053 1.00 0.00 C ATOM 525 CD GLN A 42 8.372 5.787 10.189 1.00 0.00 C ATOM 526 OE1 GLN A 42 8.022 5.980 11.352 1.00 0.00 O ATOM 527 NE2 GLN A 42 9.277 4.883 9.861 1.00 0.00 N ATOM 0 H GLN A 42 7.220 6.321 6.127 1.00 0.00 H new ATOM 0 HA GLN A 42 7.746 4.147 7.887 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.919 6.573 7.935 1.00 0.00 H new ATOM 0 HB3 GLN A 42 5.949 5.417 9.252 1.00 0.00 H new ATOM 0 HG2 GLN A 42 8.486 6.738 8.278 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.424 7.542 9.417 1.00 0.00 H new ATOM 0 HE21 GLN A 42 9.539 4.755 8.884 1.00 0.00 H new ATOM 0 HE22 GLN A 42 9.714 4.313 10.585 1.00 0.00 H new ATOM 536 N LEU A 43 4.866 4.224 6.322 1.00 0.00 N ATOM 537 CA LEU A 43 3.649 3.477 6.022 1.00 0.00 C ATOM 538 C LEU A 43 3.968 2.043 5.616 1.00 0.00 C ATOM 539 O LEU A 43 3.324 1.096 6.074 1.00 0.00 O ATOM 540 CB LEU A 43 2.875 4.159 4.897 1.00 0.00 C ATOM 541 CG LEU A 43 2.488 5.616 5.148 1.00 0.00 C ATOM 542 CD1 LEU A 43 1.845 6.218 3.909 1.00 0.00 C ATOM 543 CD2 LEU A 43 1.551 5.723 6.342 1.00 0.00 C ATOM 0 H LEU A 43 4.979 5.075 5.772 1.00 0.00 H new ATOM 0 HA LEU A 43 3.041 3.457 6.926 1.00 0.00 H new ATOM 0 HB2 LEU A 43 3.475 4.113 3.988 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.966 3.588 4.708 1.00 0.00 H new ATOM 0 HG LEU A 43 3.395 6.178 5.372 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.576 7.256 4.106 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.549 6.177 3.078 1.00 0.00 H new ATOM 0 HD13 LEU A 43 0.948 5.653 3.653 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.287 6.768 6.505 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.647 5.146 6.148 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.047 5.332 7.230 1.00 0.00 H new ATOM 555 N GLN A 44 4.979 1.892 4.771 1.00 0.00 N ATOM 556 CA GLN A 44 5.361 0.584 4.254 1.00 0.00 C ATOM 557 C GLN A 44 5.919 -0.309 5.358 1.00 0.00 C ATOM 558 O GLN A 44 5.752 -1.529 5.325 1.00 0.00 O ATOM 559 CB GLN A 44 6.387 0.742 3.134 1.00 0.00 C ATOM 560 CG GLN A 44 5.848 1.493 1.927 1.00 0.00 C ATOM 561 CD GLN A 44 6.923 1.836 0.919 1.00 0.00 C ATOM 562 OE1 GLN A 44 7.215 1.058 0.011 1.00 0.00 O ATOM 563 NE2 GLN A 44 7.504 3.016 1.059 1.00 0.00 N ATOM 0 H GLN A 44 5.552 2.663 4.427 1.00 0.00 H new ATOM 0 HA GLN A 44 4.467 0.105 3.856 1.00 0.00 H new ATOM 0 HB2 GLN A 44 7.259 1.269 3.521 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.725 -0.245 2.818 1.00 0.00 H new ATOM 0 HG2 GLN A 44 5.082 0.889 1.442 1.00 0.00 H new ATOM 0 HG3 GLN A 44 5.365 2.411 2.262 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.232 3.631 1.826 1.00 0.00 H new ATOM 0 HE22 GLN A 44 8.224 3.311 0.400 1.00 0.00 H new ATOM 572 N GLU A 45 6.561 0.303 6.343 1.00 0.00 N ATOM 573 CA GLU A 45 7.162 -0.440 7.444 1.00 0.00 C ATOM 574 C GLU A 45 6.113 -0.832 8.482 1.00 0.00 C ATOM 575 O GLU A 45 6.102 -1.961 8.975 1.00 0.00 O ATOM 576 CB GLU A 45 8.251 0.394 8.118 1.00 0.00 C ATOM 577 CG GLU A 45 9.337 0.872 7.170 1.00 0.00 C ATOM 578 CD GLU A 45 10.411 1.677 7.873 1.00 0.00 C ATOM 579 OE1 GLU A 45 10.187 2.870 8.152 1.00 0.00 O ATOM 580 OE2 GLU A 45 11.497 1.120 8.143 1.00 0.00 O ATOM 0 H GLU A 45 6.680 1.314 6.403 1.00 0.00 H new ATOM 0 HA GLU A 45 7.601 -1.347 7.029 1.00 0.00 H new ATOM 0 HB2 GLU A 45 7.790 1.260 8.592 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.709 -0.197 8.911 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.794 0.011 6.683 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.887 1.480 6.385 1.00 0.00 H new ATOM 587 N ARG A 46 5.229 0.107 8.798 1.00 0.00 N ATOM 588 CA ARG A 46 4.260 -0.077 9.875 1.00 0.00 C ATOM 589 C ARG A 46 3.114 -1.010 9.477 1.00 0.00 C ATOM 590 O ARG A 46 2.625 -1.783 10.302 1.00 0.00 O ATOM 591 CB ARG A 46 3.706 1.276 10.328 1.00 0.00 C ATOM 592 CG ARG A 46 2.981 2.050 9.238 1.00 0.00 C ATOM 593 CD ARG A 46 2.644 3.458 9.687 1.00 0.00 C ATOM 594 NE ARG A 46 1.680 3.472 10.782 1.00 0.00 N ATOM 595 CZ ARG A 46 1.755 4.293 11.828 1.00 0.00 C ATOM 596 NH1 ARG A 46 2.817 5.072 11.990 1.00 0.00 N ATOM 597 NH2 ARG A 46 0.782 4.312 12.730 1.00 0.00 N ATOM 0 H ARG A 46 5.162 1.007 8.323 1.00 0.00 H new ATOM 0 HA ARG A 46 4.788 -0.550 10.703 1.00 0.00 H new ATOM 0 HB2 ARG A 46 3.021 1.115 11.160 1.00 0.00 H new ATOM 0 HB3 ARG A 46 4.528 1.885 10.705 1.00 0.00 H new ATOM 0 HG2 ARG A 46 3.603 2.091 8.344 1.00 0.00 H new ATOM 0 HG3 ARG A 46 2.066 1.525 8.965 1.00 0.00 H new ATOM 0 HD2 ARG A 46 3.556 3.965 10.002 1.00 0.00 H new ATOM 0 HD3 ARG A 46 2.242 4.020 8.844 1.00 0.00 H new ATOM 0 HE ARG A 46 0.902 2.814 10.744 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.579 5.043 11.312 1.00 0.00 H new ATOM 0 HH12 ARG A 46 2.871 5.700 12.792 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -0.025 3.697 12.623 1.00 0.00 H new ATOM 0 HH22 ARG A 46 0.841 4.941 13.531 1.00 0.00 H new ATOM 611 N ALA A 47 2.682 -0.938 8.226 1.00 0.00 N ATOM 612 CA ALA A 47 1.570 -1.761 7.768 1.00 0.00 C ATOM 613 C ALA A 47 2.064 -3.032 7.090 1.00 0.00 C ATOM 614 O ALA A 47 1.308 -3.987 6.911 1.00 0.00 O ATOM 615 CB ALA A 47 0.680 -0.971 6.825 1.00 0.00 C ATOM 0 H ALA A 47 3.080 -0.324 7.515 1.00 0.00 H new ATOM 0 HA ALA A 47 0.987 -2.052 8.642 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.146 -1.600 6.492 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.285 -0.098 7.344 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.261 -0.648 5.961 1.00 0.00 H new ATOM 621 N GLY A 48 3.336 -3.036 6.704 1.00 0.00 N ATOM 622 CA GLY A 48 3.910 -4.193 6.044 1.00 0.00 C ATOM 623 C GLY A 48 3.540 -4.257 4.575 1.00 0.00 C ATOM 624 O GLY A 48 3.908 -5.197 3.871 1.00 0.00 O ATOM 0 H GLY A 48 3.980 -2.256 6.837 1.00 0.00 H new ATOM 0 HA2 GLY A 48 4.995 -4.164 6.143 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.569 -5.100 6.543 1.00 0.00 H new ATOM 628 N VAL A 49 2.825 -3.243 4.109 1.00 0.00 N ATOM 629 CA VAL A 49 2.358 -3.193 2.733 1.00 0.00 C ATOM 630 C VAL A 49 3.296 -2.353 1.887 1.00 0.00 C ATOM 631 O VAL A 49 4.140 -1.630 2.416 1.00 0.00 O ATOM 632 CB VAL A 49 0.941 -2.591 2.635 1.00 0.00 C ATOM 633 CG1 VAL A 49 -0.062 -3.429 3.406 1.00 0.00 C ATOM 634 CG2 VAL A 49 0.931 -1.151 3.128 1.00 0.00 C ATOM 0 H VAL A 49 2.554 -2.436 4.671 1.00 0.00 H new ATOM 0 HA VAL A 49 2.334 -4.219 2.366 1.00 0.00 H new ATOM 0 HB VAL A 49 0.647 -2.595 1.585 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.052 -2.982 3.320 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -0.083 -4.439 2.997 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.228 -3.469 4.456 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.078 -0.747 3.050 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.255 -1.120 4.168 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.609 -0.553 2.519 1.00 0.00 H new ATOM 644 N LYS A 50 3.157 -2.454 0.582 1.00 0.00 N ATOM 645 CA LYS A 50 3.890 -1.588 -0.313 1.00 0.00 C ATOM 646 C LYS A 50 2.949 -0.539 -0.880 1.00 0.00 C ATOM 647 O LYS A 50 1.932 -0.869 -1.485 1.00 0.00 O ATOM 648 CB LYS A 50 4.523 -2.396 -1.447 1.00 0.00 C ATOM 649 CG LYS A 50 5.245 -1.538 -2.474 1.00 0.00 C ATOM 650 CD LYS A 50 5.861 -2.385 -3.575 1.00 0.00 C ATOM 651 CE LYS A 50 6.520 -1.520 -4.638 1.00 0.00 C ATOM 652 NZ LYS A 50 7.556 -0.620 -4.065 1.00 0.00 N ATOM 0 H LYS A 50 2.544 -3.126 0.119 1.00 0.00 H new ATOM 0 HA LYS A 50 4.690 -1.098 0.243 1.00 0.00 H new ATOM 0 HB2 LYS A 50 5.228 -3.111 -1.023 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.746 -2.973 -1.949 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.545 -0.825 -2.911 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.025 -0.958 -1.981 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.600 -3.062 -3.145 1.00 0.00 H new ATOM 0 HD3 LYS A 50 5.090 -3.004 -4.034 1.00 0.00 H new ATOM 0 HE2 LYS A 50 6.975 -2.160 -5.394 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.760 -0.923 -5.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.105 -0.188 -4.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.096 0.127 -3.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.192 -1.169 -3.452 1.00 0.00 H new ATOM 666 N MET A 51 3.283 0.718 -0.677 1.00 0.00 N ATOM 667 CA MET A 51 2.484 1.808 -1.202 1.00 0.00 C ATOM 668 C MET A 51 3.335 2.622 -2.150 1.00 0.00 C ATOM 669 O MET A 51 4.341 3.208 -1.744 1.00 0.00 O ATOM 670 CB MET A 51 1.968 2.700 -0.072 1.00 0.00 C ATOM 671 CG MET A 51 1.133 1.956 0.961 1.00 0.00 C ATOM 672 SD MET A 51 0.493 3.038 2.256 1.00 0.00 S ATOM 673 CE MET A 51 -0.480 4.176 1.277 1.00 0.00 C ATOM 0 H MET A 51 4.105 1.012 -0.150 1.00 0.00 H new ATOM 0 HA MET A 51 1.622 1.397 -1.728 1.00 0.00 H new ATOM 0 HB2 MET A 51 2.817 3.166 0.428 1.00 0.00 H new ATOM 0 HB3 MET A 51 1.369 3.504 -0.500 1.00 0.00 H new ATOM 0 HG2 MET A 51 0.299 1.464 0.461 1.00 0.00 H new ATOM 0 HG3 MET A 51 1.740 1.173 1.416 1.00 0.00 H new ATOM 0 HE1 MET A 51 0.010 5.149 1.256 1.00 0.00 H new ATOM 0 HE2 MET A 51 -0.572 3.794 0.260 1.00 0.00 H new ATOM 0 HE3 MET A 51 -1.472 4.279 1.717 1.00 0.00 H new ATOM 683 N ILE A 52 2.961 2.640 -3.410 1.00 0.00 N ATOM 684 CA ILE A 52 3.710 3.394 -4.391 1.00 0.00 C ATOM 685 C ILE A 52 2.965 4.665 -4.778 1.00 0.00 C ATOM 686 O ILE A 52 1.949 4.631 -5.475 1.00 0.00 O ATOM 687 CB ILE A 52 4.044 2.549 -5.647 1.00 0.00 C ATOM 688 CG1 ILE A 52 4.735 3.414 -6.709 1.00 0.00 C ATOM 689 CG2 ILE A 52 2.793 1.892 -6.214 1.00 0.00 C ATOM 690 CD1 ILE A 52 5.139 2.651 -7.952 1.00 0.00 C ATOM 0 H ILE A 52 2.149 2.145 -3.778 1.00 0.00 H new ATOM 0 HA ILE A 52 4.657 3.672 -3.929 1.00 0.00 H new ATOM 0 HB ILE A 52 4.730 1.756 -5.349 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.066 4.226 -6.994 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.622 3.871 -6.271 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.057 1.306 -7.094 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.352 1.238 -5.461 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.073 2.661 -6.493 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.621 3.330 -8.655 1.00 0.00 H new ATOM 0 HD12 ILE A 52 5.834 1.856 -7.681 1.00 0.00 H new ATOM 0 HD13 ILE A 52 4.254 2.216 -8.416 1.00 0.00 H new ATOM 702 N LEU A 53 3.457 5.783 -4.275 1.00 0.00 N ATOM 703 CA LEU A 53 2.950 7.082 -4.670 1.00 0.00 C ATOM 704 C LEU A 53 3.543 7.442 -6.022 1.00 0.00 C ATOM 705 O LEU A 53 4.715 7.806 -6.112 1.00 0.00 O ATOM 706 CB LEU A 53 3.321 8.144 -3.623 1.00 0.00 C ATOM 707 CG LEU A 53 2.272 8.419 -2.537 1.00 0.00 C ATOM 708 CD1 LEU A 53 0.959 8.863 -3.164 1.00 0.00 C ATOM 709 CD2 LEU A 53 2.062 7.197 -1.656 1.00 0.00 C ATOM 0 H LEU A 53 4.211 5.816 -3.589 1.00 0.00 H new ATOM 0 HA LEU A 53 1.863 7.047 -4.741 1.00 0.00 H new ATOM 0 HB2 LEU A 53 4.246 7.836 -3.136 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.530 9.079 -4.142 1.00 0.00 H new ATOM 0 HG LEU A 53 2.643 9.226 -1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.227 9.053 -2.379 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.120 9.775 -3.739 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.588 8.079 -3.824 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.314 7.421 -0.896 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.720 6.362 -2.267 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.002 6.931 -1.173 1.00 0.00 H new ATOM 721 N ILE A 54 2.749 7.308 -7.073 1.00 0.00 N ATOM 722 CA ILE A 54 3.226 7.585 -8.418 1.00 0.00 C ATOM 723 C ILE A 54 3.378 9.088 -8.631 1.00 0.00 C ATOM 724 O ILE A 54 2.447 9.776 -9.049 1.00 0.00 O ATOM 725 CB ILE A 54 2.295 6.964 -9.485 1.00 0.00 C ATOM 726 CG1 ILE A 54 2.271 5.438 -9.321 1.00 0.00 C ATOM 727 CG2 ILE A 54 2.744 7.343 -10.890 1.00 0.00 C ATOM 728 CD1 ILE A 54 1.421 4.717 -10.346 1.00 0.00 C ATOM 0 H ILE A 54 1.775 7.010 -7.021 1.00 0.00 H new ATOM 0 HA ILE A 54 4.206 7.121 -8.531 1.00 0.00 H new ATOM 0 HB ILE A 54 1.288 7.357 -9.341 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.292 5.061 -9.382 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.901 5.197 -8.324 1.00 0.00 H new ATOM 0 HG21 ILE A 54 2.072 6.893 -11.621 1.00 0.00 H new ATOM 0 HG22 ILE A 54 2.724 8.427 -10.998 1.00 0.00 H new ATOM 0 HG23 ILE A 54 3.758 6.980 -11.058 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.458 3.644 -10.159 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.390 5.063 -10.272 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.802 4.925 -11.346 1.00 0.00 H new ATOM 740 N GLN A 55 4.562 9.584 -8.302 1.00 0.00 N ATOM 741 CA GLN A 55 4.872 11.001 -8.410 1.00 0.00 C ATOM 742 C GLN A 55 5.673 11.272 -9.674 1.00 0.00 C ATOM 743 O GLN A 55 5.542 12.325 -10.297 1.00 0.00 O ATOM 744 CB GLN A 55 5.690 11.449 -7.200 1.00 0.00 C ATOM 745 CG GLN A 55 5.044 11.143 -5.863 1.00 0.00 C ATOM 746 CD GLN A 55 6.003 11.346 -4.707 1.00 0.00 C ATOM 747 OE1 GLN A 55 5.846 10.550 -3.662 1.00 0.00 O flip ATOM 748 NE2 GLN A 55 6.891 12.197 -4.760 1.00 0.00 N flip ATOM 0 H GLN A 55 5.334 9.016 -7.953 1.00 0.00 H new ATOM 0 HA GLN A 55 3.935 11.556 -8.449 1.00 0.00 H new ATOM 0 HB2 GLN A 55 6.667 10.966 -7.237 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.862 12.523 -7.270 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.172 11.783 -5.727 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.687 10.113 -5.861 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.979 12.792 -5.584 1.00 0.00 H new ATOM 0 HE22 GLN A 55 7.539 12.307 -3.980 1.00 0.00 H new ATOM 757 N ASP A 56 6.516 10.316 -10.039 1.00 0.00 N ATOM 758 CA ASP A 56 7.377 10.462 -11.205 1.00 0.00 C ATOM 759 C ASP A 56 6.752 9.796 -12.420 1.00 0.00 C ATOM 760 O ASP A 56 7.371 9.697 -13.479 1.00 0.00 O ATOM 761 CB ASP A 56 8.763 9.866 -10.938 1.00 0.00 C ATOM 762 CG ASP A 56 9.437 10.486 -9.732 1.00 0.00 C ATOM 763 OD1 ASP A 56 9.814 11.676 -9.797 1.00 0.00 O ATOM 764 OD2 ASP A 56 9.577 9.791 -8.704 1.00 0.00 O ATOM 0 H ASP A 56 6.622 9.430 -9.544 1.00 0.00 H new ATOM 0 HA ASP A 56 7.489 11.527 -11.406 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.670 8.791 -10.785 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.392 10.010 -11.816 1.00 0.00 H new ATOM 769 N GLY A 57 5.523 9.331 -12.257 1.00 0.00 N ATOM 770 CA GLY A 57 4.809 8.728 -13.362 1.00 0.00 C ATOM 771 C GLY A 57 4.193 9.777 -14.265 1.00 0.00 C ATOM 772 O GLY A 57 4.427 10.972 -14.076 1.00 0.00 O ATOM 0 H GLY A 57 5.007 9.361 -11.378 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.491 8.104 -13.940 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.027 8.073 -12.977 1.00 0.00 H new ATOM 776 N SER A 58 3.397 9.352 -15.231 1.00 0.00 N ATOM 777 CA SER A 58 2.792 10.289 -16.167 1.00 0.00 C ATOM 778 C SER A 58 1.443 9.799 -16.676 1.00 0.00 C ATOM 779 O SER A 58 1.022 10.137 -17.786 1.00 0.00 O ATOM 780 CB SER A 58 3.737 10.524 -17.335 1.00 0.00 C ATOM 781 OG SER A 58 4.461 9.340 -17.648 1.00 0.00 O ATOM 0 H SER A 58 3.155 8.374 -15.389 1.00 0.00 H new ATOM 0 HA SER A 58 2.618 11.225 -15.636 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.170 10.850 -18.207 1.00 0.00 H new ATOM 0 HB3 SER A 58 4.433 11.326 -17.089 1.00 0.00 H new ATOM 0 HG SER A 58 5.061 9.514 -18.403 1.00 0.00 H new ATOM 787 N GLN A 59 0.768 9.003 -15.864 1.00 0.00 N ATOM 788 CA GLN A 59 -0.546 8.492 -16.229 1.00 0.00 C ATOM 789 C GLN A 59 -1.652 9.393 -15.688 1.00 0.00 C ATOM 790 O GLN A 59 -2.544 9.812 -16.428 1.00 0.00 O ATOM 791 CB GLN A 59 -0.716 7.061 -15.719 1.00 0.00 C ATOM 792 CG GLN A 59 -0.158 6.841 -14.329 1.00 0.00 C ATOM 793 CD GLN A 59 -0.483 5.465 -13.783 1.00 0.00 C ATOM 794 OE1 GLN A 59 -1.516 5.270 -13.143 1.00 0.00 O ATOM 795 NE2 GLN A 59 0.383 4.497 -14.040 1.00 0.00 N ATOM 0 H GLN A 59 1.105 8.697 -14.951 1.00 0.00 H new ATOM 0 HA GLN A 59 -0.623 8.486 -17.316 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.776 6.808 -15.720 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.224 6.377 -16.411 1.00 0.00 H new ATOM 0 HG2 GLN A 59 0.924 6.973 -14.350 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.559 7.599 -13.656 1.00 0.00 H new ATOM 0 HE21 GLN A 59 1.229 4.698 -14.574 1.00 0.00 H new ATOM 0 HE22 GLN A 59 0.205 3.551 -13.704 1.00 0.00 H new ATOM 804 N ASN A 60 -1.585 9.702 -14.403 1.00 0.00 N ATOM 805 CA ASN A 60 -2.568 10.571 -13.764 1.00 0.00 C ATOM 806 C ASN A 60 -1.878 11.452 -12.738 1.00 0.00 C ATOM 807 O ASN A 60 -2.435 11.765 -11.696 1.00 0.00 O ATOM 808 CB ASN A 60 -3.663 9.762 -13.054 1.00 0.00 C ATOM 809 CG ASN A 60 -4.464 8.865 -13.982 1.00 0.00 C ATOM 810 OD1 ASN A 60 -4.131 7.692 -14.171 1.00 0.00 O ATOM 811 ND2 ASN A 60 -5.521 9.403 -14.571 1.00 0.00 N ATOM 0 H ASN A 60 -0.856 9.363 -13.776 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.030 11.175 -14.545 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.203 9.149 -12.279 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.343 10.451 -12.554 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -6.091 8.844 -15.206 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.765 10.377 -14.390 1.00 0.00 H new ATOM 818 N THR A 61 -0.662 11.854 -13.034 1.00 0.00 N ATOM 819 CA THR A 61 0.164 12.506 -12.040 1.00 0.00 C ATOM 820 C THR A 61 -0.235 13.959 -11.809 1.00 0.00 C ATOM 821 O THR A 61 -0.103 14.477 -10.705 1.00 0.00 O ATOM 822 CB THR A 61 1.634 12.435 -12.443 1.00 0.00 C ATOM 823 OG1 THR A 61 1.831 11.313 -13.312 1.00 0.00 O ATOM 824 CG2 THR A 61 2.499 12.277 -11.212 1.00 0.00 C ATOM 0 H THR A 61 -0.224 11.742 -13.949 1.00 0.00 H new ATOM 0 HA THR A 61 0.010 11.971 -11.103 1.00 0.00 H new ATOM 0 HB THR A 61 1.912 13.354 -12.958 1.00 0.00 H new ATOM 0 HG1 THR A 61 2.052 10.521 -12.779 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.547 12.227 -11.508 1.00 0.00 H new ATOM 0 HG22 THR A 61 2.349 13.130 -10.550 1.00 0.00 H new ATOM 0 HG23 THR A 61 2.225 11.360 -10.690 1.00 0.00 H new ATOM 832 N ASN A 62 -0.724 14.618 -12.846 1.00 0.00 N ATOM 833 CA ASN A 62 -1.124 16.019 -12.725 1.00 0.00 C ATOM 834 C ASN A 62 -2.531 16.144 -12.145 1.00 0.00 C ATOM 835 O ASN A 62 -3.033 17.250 -11.941 1.00 0.00 O ATOM 836 CB ASN A 62 -1.045 16.720 -14.085 1.00 0.00 C ATOM 837 CG ASN A 62 -2.184 16.334 -15.015 1.00 0.00 C ATOM 838 OD1 ASN A 62 -3.218 16.997 -15.056 1.00 0.00 O ATOM 839 ND2 ASN A 62 -1.999 15.267 -15.778 1.00 0.00 N ATOM 0 H ASN A 62 -0.855 14.215 -13.774 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.431 16.506 -12.039 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.056 17.799 -13.933 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.095 16.475 -14.560 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.728 14.971 -16.427 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.127 14.741 -15.717 1.00 0.00 H new ATOM 846 N VAL A 63 -3.154 15.007 -11.874 1.00 0.00 N ATOM 847 CA VAL A 63 -4.493 14.972 -11.302 1.00 0.00 C ATOM 848 C VAL A 63 -4.489 14.136 -10.027 1.00 0.00 C ATOM 849 O VAL A 63 -3.504 14.141 -9.287 1.00 0.00 O ATOM 850 CB VAL A 63 -5.524 14.394 -12.302 1.00 0.00 C ATOM 851 CG1 VAL A 63 -5.767 15.364 -13.448 1.00 0.00 C ATOM 852 CG2 VAL A 63 -5.061 13.048 -12.834 1.00 0.00 C ATOM 0 H VAL A 63 -2.749 14.086 -12.043 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.785 15.996 -11.071 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.465 14.249 -11.771 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.495 14.937 -14.138 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -6.150 16.305 -13.053 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.831 15.546 -13.975 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.800 12.660 -13.535 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -4.105 13.168 -13.344 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.945 12.350 -12.005 1.00 0.00 H new ATOM 862 N ASP A 64 -5.594 13.444 -9.765 1.00 0.00 N ATOM 863 CA ASP A 64 -5.678 12.522 -8.642 1.00 0.00 C ATOM 864 C ASP A 64 -4.573 11.482 -8.752 1.00 0.00 C ATOM 865 O ASP A 64 -4.350 10.909 -9.817 1.00 0.00 O ATOM 866 CB ASP A 64 -7.048 11.846 -8.607 1.00 0.00 C ATOM 867 CG ASP A 64 -8.176 12.853 -8.561 1.00 0.00 C ATOM 868 OD1 ASP A 64 -8.622 13.301 -9.640 1.00 0.00 O ATOM 869 OD2 ASP A 64 -8.619 13.213 -7.449 1.00 0.00 O ATOM 0 H ASP A 64 -6.447 13.507 -10.320 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.551 13.079 -7.714 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.163 11.213 -9.487 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.108 11.194 -7.736 1.00 0.00 H new ATOM 874 N LYS A 65 -3.905 11.232 -7.644 1.00 0.00 N ATOM 875 CA LYS A 65 -2.639 10.514 -7.662 1.00 0.00 C ATOM 876 C LYS A 65 -2.852 9.018 -7.675 1.00 0.00 C ATOM 877 O LYS A 65 -3.601 8.489 -6.859 1.00 0.00 O ATOM 878 CB LYS A 65 -1.795 10.890 -6.447 1.00 0.00 C ATOM 879 CG LYS A 65 -1.645 12.387 -6.256 1.00 0.00 C ATOM 880 CD LYS A 65 -0.777 13.011 -7.337 1.00 0.00 C ATOM 881 CE LYS A 65 -0.801 14.529 -7.237 1.00 0.00 C ATOM 882 NZ LYS A 65 0.133 15.179 -8.191 1.00 0.00 N ATOM 0 H LYS A 65 -4.216 11.515 -6.715 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.116 10.800 -8.575 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -2.248 10.461 -5.553 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -0.806 10.444 -6.549 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -2.629 12.855 -6.266 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -1.207 12.586 -5.278 1.00 0.00 H new ATOM 0 HD2 LYS A 65 0.247 12.651 -7.240 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -1.132 12.701 -8.320 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.814 14.886 -7.425 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -0.542 14.827 -6.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 0.166 16.201 -8.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 1.084 14.774 -8.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -0.197 15.017 -9.164 1.00 0.00 H new ATOM 896 N PRO A 66 -2.200 8.328 -8.612 1.00 0.00 N ATOM 897 CA PRO A 66 -2.212 6.870 -8.680 1.00 0.00 C ATOM 898 C PRO A 66 -1.447 6.251 -7.512 1.00 0.00 C ATOM 899 O PRO A 66 -0.215 6.294 -7.471 1.00 0.00 O ATOM 900 CB PRO A 66 -1.502 6.560 -10.006 1.00 0.00 C ATOM 901 CG PRO A 66 -1.463 7.852 -10.748 1.00 0.00 C ATOM 902 CD PRO A 66 -1.406 8.917 -9.697 1.00 0.00 C ATOM 0 HA PRO A 66 -3.222 6.463 -8.626 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -0.497 6.177 -9.833 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -2.040 5.799 -10.571 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -0.594 7.901 -11.404 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.345 7.969 -11.378 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -0.383 9.126 -9.385 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -1.831 9.858 -10.048 1.00 0.00 H new ATOM 910 N LEU A 67 -2.176 5.696 -6.558 1.00 0.00 N ATOM 911 CA LEU A 67 -1.566 5.064 -5.401 1.00 0.00 C ATOM 912 C LEU A 67 -1.870 3.576 -5.382 1.00 0.00 C ATOM 913 O LEU A 67 -2.983 3.172 -5.056 1.00 0.00 O ATOM 914 CB LEU A 67 -2.069 5.717 -4.110 1.00 0.00 C ATOM 915 CG LEU A 67 -1.711 4.976 -2.815 1.00 0.00 C ATOM 916 CD1 LEU A 67 -0.207 4.844 -2.666 1.00 0.00 C ATOM 917 CD2 LEU A 67 -2.310 5.687 -1.613 1.00 0.00 C ATOM 0 H LEU A 67 -3.196 5.671 -6.563 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.486 5.199 -5.468 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.666 6.728 -4.053 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.154 5.809 -4.168 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.134 3.973 -2.868 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.022 4.315 -1.741 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.195 4.286 -3.512 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.244 5.836 -2.638 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.046 5.148 -0.703 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.919 6.703 -1.559 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.395 5.720 -1.713 1.00 0.00 H new ATOM 929 N ARG A 68 -0.886 2.765 -5.740 1.00 0.00 N ATOM 930 CA ARG A 68 -1.048 1.321 -5.693 1.00 0.00 C ATOM 931 C ARG A 68 -0.588 0.787 -4.348 1.00 0.00 C ATOM 932 O ARG A 68 0.605 0.790 -4.041 1.00 0.00 O ATOM 933 CB ARG A 68 -0.263 0.634 -6.812 1.00 0.00 C ATOM 934 CG ARG A 68 -0.681 1.062 -8.203 1.00 0.00 C ATOM 935 CD ARG A 68 0.002 0.240 -9.278 1.00 0.00 C ATOM 936 NE ARG A 68 -0.365 0.710 -10.613 1.00 0.00 N ATOM 937 CZ ARG A 68 0.336 0.461 -11.718 1.00 0.00 C ATOM 938 NH1 ARG A 68 1.391 -0.345 -11.677 1.00 0.00 N ATOM 939 NH2 ARG A 68 -0.042 1.000 -12.872 1.00 0.00 N ATOM 0 H ARG A 68 0.028 3.080 -6.064 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.107 1.101 -5.832 1.00 0.00 H new ATOM 0 HB2 ARG A 68 0.798 0.844 -6.681 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.388 -0.445 -6.721 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.762 0.964 -8.303 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.442 2.116 -8.345 1.00 0.00 H new ATOM 0 HD2 ARG A 68 1.083 0.299 -9.153 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.275 -0.809 -9.169 1.00 0.00 H new ATOM 0 HE ARG A 68 -1.215 1.266 -10.704 1.00 0.00 H new ATOM 0 HH11 ARG A 68 1.669 -0.777 -10.796 1.00 0.00 H new ATOM 0 HH12 ARG A 68 1.924 -0.532 -12.527 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -0.865 1.601 -12.909 1.00 0.00 H new ATOM 0 HH22 ARG A 68 0.491 0.813 -13.721 1.00 0.00 H new ATOM 953 N ILE A 69 -1.540 0.369 -3.535 1.00 0.00 N ATOM 954 CA ILE A 69 -1.231 -0.268 -2.269 1.00 0.00 C ATOM 955 C ILE A 69 -1.235 -1.773 -2.457 1.00 0.00 C ATOM 956 O ILE A 69 -2.294 -2.386 -2.574 1.00 0.00 O ATOM 957 CB ILE A 69 -2.256 0.116 -1.190 1.00 0.00 C ATOM 958 CG1 ILE A 69 -2.460 1.627 -1.180 1.00 0.00 C ATOM 959 CG2 ILE A 69 -1.792 -0.368 0.178 1.00 0.00 C ATOM 960 CD1 ILE A 69 -3.697 2.055 -0.436 1.00 0.00 C ATOM 0 H ILE A 69 -2.537 0.460 -3.730 1.00 0.00 H new ATOM 0 HA ILE A 69 -0.248 0.070 -1.941 1.00 0.00 H new ATOM 0 HB ILE A 69 -3.207 -0.365 -1.420 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.589 2.101 -0.727 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.520 1.986 -2.208 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -2.528 -0.089 0.932 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.682 -1.452 0.162 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -0.833 0.090 0.420 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -3.783 3.141 -0.467 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -4.575 1.608 -0.902 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -3.630 1.726 0.601 1.00 0.00 H new ATOM 972 N ILE A 70 -0.056 -2.357 -2.503 1.00 0.00 N ATOM 973 CA ILE A 70 0.085 -3.768 -2.807 1.00 0.00 C ATOM 974 C ILE A 70 0.549 -4.529 -1.570 1.00 0.00 C ATOM 975 O ILE A 70 1.531 -4.151 -0.934 1.00 0.00 O ATOM 976 CB ILE A 70 1.098 -3.991 -3.952 1.00 0.00 C ATOM 977 CG1 ILE A 70 1.007 -2.855 -4.978 1.00 0.00 C ATOM 978 CG2 ILE A 70 0.834 -5.326 -4.633 1.00 0.00 C ATOM 979 CD1 ILE A 70 2.055 -2.931 -6.069 1.00 0.00 C ATOM 0 H ILE A 70 0.826 -1.873 -2.333 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.890 -4.140 -3.123 1.00 0.00 H new ATOM 0 HB ILE A 70 2.102 -4.000 -3.528 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.018 -2.870 -5.436 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.104 -1.901 -4.460 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.554 -5.472 -5.438 1.00 0.00 H new ATOM 0 HG22 ILE A 70 0.934 -6.132 -3.906 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.176 -5.332 -5.044 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.926 -2.095 -6.756 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.049 -2.885 -5.623 1.00 0.00 H new ATOM 0 HD13 ILE A 70 1.945 -3.868 -6.614 1.00 0.00 H new ATOM 991 N GLY A 71 -0.169 -5.582 -1.217 1.00 0.00 N ATOM 992 CA GLY A 71 0.220 -6.389 -0.080 1.00 0.00 C ATOM 993 C GLY A 71 -0.814 -7.444 0.249 1.00 0.00 C ATOM 994 O GLY A 71 -1.476 -7.969 -0.647 1.00 0.00 O ATOM 0 H GLY A 71 -1.014 -5.893 -1.697 1.00 0.00 H new ATOM 0 HA2 GLY A 71 1.175 -6.871 -0.288 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.369 -5.745 0.787 1.00 0.00 H new ATOM 998 N ASP A 72 -0.950 -7.762 1.526 1.00 0.00 N ATOM 999 CA ASP A 72 -1.943 -8.716 1.973 1.00 0.00 C ATOM 1000 C ASP A 72 -3.279 -8.006 2.153 1.00 0.00 C ATOM 1001 O ASP A 72 -3.320 -6.885 2.657 1.00 0.00 O ATOM 1002 CB ASP A 72 -1.497 -9.361 3.284 1.00 0.00 C ATOM 1003 CG ASP A 72 -0.097 -9.945 3.211 1.00 0.00 C ATOM 1004 OD1 ASP A 72 0.216 -10.645 2.221 1.00 0.00 O ATOM 1005 OD2 ASP A 72 0.704 -9.676 4.135 1.00 0.00 O ATOM 0 H ASP A 72 -0.379 -7.368 2.274 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.056 -9.502 1.226 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.533 -8.617 4.080 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.200 -10.149 3.552 1.00 0.00 H new ATOM 1010 N PRO A 73 -4.383 -8.658 1.761 1.00 0.00 N ATOM 1011 CA PRO A 73 -5.712 -8.030 1.660 1.00 0.00 C ATOM 1012 C PRO A 73 -6.074 -7.075 2.804 1.00 0.00 C ATOM 1013 O PRO A 73 -6.419 -5.918 2.562 1.00 0.00 O ATOM 1014 CB PRO A 73 -6.647 -9.235 1.663 1.00 0.00 C ATOM 1015 CG PRO A 73 -5.865 -10.309 0.995 1.00 0.00 C ATOM 1016 CD PRO A 73 -4.427 -10.082 1.373 1.00 0.00 C ATOM 0 HA PRO A 73 -5.769 -7.390 0.780 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.927 -9.519 2.678 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -7.571 -9.023 1.125 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -6.201 -11.294 1.319 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.994 -10.268 -0.087 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -4.123 -10.730 2.195 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -3.757 -10.290 0.539 1.00 0.00 H new ATOM 1024 N TYR A 74 -5.974 -7.537 4.045 1.00 0.00 N ATOM 1025 CA TYR A 74 -6.461 -6.744 5.166 1.00 0.00 C ATOM 1026 C TYR A 74 -5.521 -5.594 5.529 1.00 0.00 C ATOM 1027 O TYR A 74 -5.988 -4.533 5.936 1.00 0.00 O ATOM 1028 CB TYR A 74 -6.774 -7.614 6.389 1.00 0.00 C ATOM 1029 CG TYR A 74 -5.663 -8.538 6.832 1.00 0.00 C ATOM 1030 CD1 TYR A 74 -4.705 -8.120 7.746 1.00 0.00 C ATOM 1031 CD2 TYR A 74 -5.596 -9.843 6.358 1.00 0.00 C ATOM 1032 CE1 TYR A 74 -3.708 -8.974 8.167 1.00 0.00 C ATOM 1033 CE2 TYR A 74 -4.604 -10.702 6.779 1.00 0.00 C ATOM 1034 CZ TYR A 74 -3.665 -10.264 7.684 1.00 0.00 C ATOM 1035 OH TYR A 74 -2.679 -11.117 8.103 1.00 0.00 O ATOM 0 H TYR A 74 -5.569 -8.438 4.297 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.396 -6.293 4.833 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.033 -6.960 7.222 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.657 -8.215 6.169 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -4.741 -7.112 8.132 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.333 -10.189 5.649 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -2.964 -8.634 8.872 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -4.564 -11.713 6.401 1.00 0.00 H new ATOM 0 HH TYR A 74 -2.466 -10.934 9.042 1.00 0.00 H new ATOM 1045 N LYS A 75 -4.208 -5.769 5.365 1.00 0.00 N ATOM 1046 CA LYS A 75 -3.286 -4.664 5.642 1.00 0.00 C ATOM 1047 C LYS A 75 -3.393 -3.609 4.561 1.00 0.00 C ATOM 1048 O LYS A 75 -3.197 -2.430 4.823 1.00 0.00 O ATOM 1049 CB LYS A 75 -1.826 -5.114 5.784 1.00 0.00 C ATOM 1050 CG LYS A 75 -1.390 -6.165 4.787 1.00 0.00 C ATOM 1051 CD LYS A 75 0.076 -6.538 4.971 1.00 0.00 C ATOM 1052 CE LYS A 75 0.326 -7.224 6.303 1.00 0.00 C ATOM 1053 NZ LYS A 75 -0.352 -8.544 6.379 1.00 0.00 N ATOM 0 H LYS A 75 -3.769 -6.635 5.052 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.585 -4.248 6.604 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.179 -4.243 5.679 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -1.676 -5.503 6.791 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -2.010 -7.055 4.901 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.547 -5.794 3.774 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.387 -7.197 4.160 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.690 -5.640 4.905 1.00 0.00 H new ATOM 0 HE2 LYS A 75 1.398 -7.357 6.448 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.028 -6.586 7.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.200 -8.958 7.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -1.372 -8.421 6.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.041 -9.178 5.654 1.00 0.00 H new ATOM 1067 N VAL A 76 -3.725 -4.032 3.347 1.00 0.00 N ATOM 1068 CA VAL A 76 -3.917 -3.094 2.253 1.00 0.00 C ATOM 1069 C VAL A 76 -5.085 -2.173 2.575 1.00 0.00 C ATOM 1070 O VAL A 76 -5.022 -0.967 2.353 1.00 0.00 O ATOM 1071 CB VAL A 76 -4.173 -3.818 0.914 1.00 0.00 C ATOM 1072 CG1 VAL A 76 -4.444 -2.822 -0.198 1.00 0.00 C ATOM 1073 CG2 VAL A 76 -2.992 -4.699 0.551 1.00 0.00 C ATOM 0 H VAL A 76 -3.865 -5.011 3.099 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.002 -2.512 2.143 1.00 0.00 H new ATOM 0 HB VAL A 76 -5.056 -4.446 1.035 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -4.621 -3.357 -1.131 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.323 -2.228 0.052 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -3.583 -2.164 -0.315 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -3.190 -5.201 -0.396 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -2.096 -4.085 0.456 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.840 -5.444 1.332 1.00 0.00 H new ATOM 1083 N GLN A 77 -6.133 -2.752 3.141 1.00 0.00 N ATOM 1084 CA GLN A 77 -7.301 -1.997 3.542 1.00 0.00 C ATOM 1085 C GLN A 77 -7.006 -1.154 4.780 1.00 0.00 C ATOM 1086 O GLN A 77 -7.323 0.035 4.810 1.00 0.00 O ATOM 1087 CB GLN A 77 -8.475 -2.957 3.772 1.00 0.00 C ATOM 1088 CG GLN A 77 -9.699 -2.368 4.478 1.00 0.00 C ATOM 1089 CD GLN A 77 -10.352 -1.177 3.776 1.00 0.00 C ATOM 1090 OE1 GLN A 77 -9.555 -0.256 3.265 1.00 0.00 O flip ATOM 1091 NE2 GLN A 77 -11.577 -1.054 3.766 1.00 0.00 N flip ATOM 0 H GLN A 77 -6.194 -3.752 3.333 1.00 0.00 H new ATOM 0 HA GLN A 77 -7.574 -1.304 2.746 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -8.792 -3.349 2.806 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -8.116 -3.804 4.357 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -10.445 -3.155 4.592 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -9.405 -2.060 5.481 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -12.166 -1.783 4.169 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -12.003 -0.223 3.355 1.00 0.00 H new ATOM 1100 N GLN A 78 -6.376 -1.746 5.786 1.00 0.00 N ATOM 1101 CA GLN A 78 -6.050 -1.007 7.002 1.00 0.00 C ATOM 1102 C GLN A 78 -5.117 0.160 6.700 1.00 0.00 C ATOM 1103 O GLN A 78 -5.275 1.252 7.251 1.00 0.00 O ATOM 1104 CB GLN A 78 -5.424 -1.918 8.051 1.00 0.00 C ATOM 1105 CG GLN A 78 -6.401 -2.939 8.616 1.00 0.00 C ATOM 1106 CD GLN A 78 -5.839 -3.742 9.782 1.00 0.00 C ATOM 1107 OE1 GLN A 78 -4.972 -3.132 10.581 1.00 0.00 O flip ATOM 1108 NE2 GLN A 78 -6.201 -4.902 9.975 1.00 0.00 N flip ATOM 0 H GLN A 78 -6.083 -2.723 5.787 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.984 -0.612 7.402 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.576 -2.441 7.609 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -5.033 -1.309 8.866 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -7.304 -2.423 8.943 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -6.696 -3.625 7.822 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -6.869 -5.340 9.341 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -5.833 -5.426 10.769 1.00 0.00 H new ATOM 1117 N ALA A 79 -4.157 -0.073 5.819 1.00 0.00 N ATOM 1118 CA ALA A 79 -3.233 0.971 5.408 1.00 0.00 C ATOM 1119 C ALA A 79 -3.940 1.991 4.524 1.00 0.00 C ATOM 1120 O ALA A 79 -3.630 3.181 4.560 1.00 0.00 O ATOM 1121 CB ALA A 79 -2.039 0.368 4.685 1.00 0.00 C ATOM 0 H ALA A 79 -3.998 -0.977 5.375 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.871 1.484 6.299 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.357 1.163 4.384 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.521 -0.322 5.351 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.382 -0.170 3.801 1.00 0.00 H new ATOM 1127 N CYS A 80 -4.906 1.514 3.746 1.00 0.00 N ATOM 1128 CA CYS A 80 -5.709 2.377 2.891 1.00 0.00 C ATOM 1129 C CYS A 80 -6.467 3.385 3.730 1.00 0.00 C ATOM 1130 O CYS A 80 -6.307 4.585 3.557 1.00 0.00 O ATOM 1131 CB CYS A 80 -6.690 1.543 2.061 1.00 0.00 C ATOM 1132 SG CYS A 80 -8.017 2.498 1.289 1.00 0.00 S ATOM 0 H CYS A 80 -5.152 0.526 3.691 1.00 0.00 H new ATOM 0 HA CYS A 80 -5.042 2.910 2.213 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -6.135 1.020 1.282 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -7.133 0.781 2.702 1.00 0.00 H new ATOM 0 HG CYS A 80 -8.982 2.669 2.143 1.00 0.00 H new ATOM 1138 N GLU A 81 -7.264 2.890 4.664 1.00 0.00 N ATOM 1139 CA GLU A 81 -8.060 3.752 5.524 1.00 0.00 C ATOM 1140 C GLU A 81 -7.167 4.645 6.363 1.00 0.00 C ATOM 1141 O GLU A 81 -7.544 5.751 6.722 1.00 0.00 O ATOM 1142 CB GLU A 81 -8.948 2.918 6.435 1.00 0.00 C ATOM 1143 CG GLU A 81 -9.815 1.936 5.681 1.00 0.00 C ATOM 1144 CD GLU A 81 -10.607 2.588 4.564 1.00 0.00 C ATOM 1145 OE1 GLU A 81 -11.645 3.217 4.856 1.00 0.00 O ATOM 1146 OE2 GLU A 81 -10.201 2.465 3.389 1.00 0.00 O ATOM 0 H GLU A 81 -7.377 1.893 4.846 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.686 4.378 4.888 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -8.323 2.373 7.142 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -9.585 3.582 7.019 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.186 1.150 5.263 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -10.504 1.457 6.377 1.00 0.00 H new ATOM 1153 N MET A 82 -5.981 4.154 6.665 1.00 0.00 N ATOM 1154 CA MET A 82 -5.019 4.918 7.441 1.00 0.00 C ATOM 1155 C MET A 82 -4.608 6.173 6.688 1.00 0.00 C ATOM 1156 O MET A 82 -4.660 7.273 7.229 1.00 0.00 O ATOM 1157 CB MET A 82 -3.791 4.064 7.759 1.00 0.00 C ATOM 1158 CG MET A 82 -2.674 4.824 8.456 1.00 0.00 C ATOM 1159 SD MET A 82 -1.267 3.771 8.865 1.00 0.00 S ATOM 1160 CE MET A 82 -0.862 3.087 7.258 1.00 0.00 C ATOM 0 H MET A 82 -5.658 3.228 6.385 1.00 0.00 H new ATOM 0 HA MET A 82 -5.489 5.213 8.379 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.096 3.228 8.388 1.00 0.00 H new ATOM 0 HB3 MET A 82 -3.405 3.641 6.832 1.00 0.00 H new ATOM 0 HG2 MET A 82 -2.339 5.639 7.814 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.062 5.276 9.369 1.00 0.00 H new ATOM 0 HE1 MET A 82 -1.229 2.062 7.196 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.330 3.688 6.478 1.00 0.00 H new ATOM 0 HE3 MET A 82 0.219 3.094 7.122 1.00 0.00 H new ATOM 1170 N VAL A 83 -4.229 6.012 5.430 1.00 0.00 N ATOM 1171 CA VAL A 83 -3.758 7.137 4.639 1.00 0.00 C ATOM 1172 C VAL A 83 -4.922 7.910 4.028 1.00 0.00 C ATOM 1173 O VAL A 83 -4.886 9.133 3.947 1.00 0.00 O ATOM 1174 CB VAL A 83 -2.777 6.690 3.535 1.00 0.00 C ATOM 1175 CG1 VAL A 83 -1.580 5.994 4.159 1.00 0.00 C ATOM 1176 CG2 VAL A 83 -3.455 5.783 2.516 1.00 0.00 C ATOM 0 H VAL A 83 -4.238 5.119 4.937 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.221 7.799 5.319 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.437 7.578 3.003 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.891 5.681 3.374 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.071 6.681 4.835 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.917 5.120 4.716 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.733 5.488 1.754 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.837 4.894 3.018 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.281 6.317 2.046 1.00 0.00 H new ATOM 1186 N MET A 84 -5.963 7.189 3.629 1.00 0.00 N ATOM 1187 CA MET A 84 -7.136 7.802 3.027 1.00 0.00 C ATOM 1188 C MET A 84 -7.848 8.687 4.036 1.00 0.00 C ATOM 1189 O MET A 84 -8.365 9.741 3.682 1.00 0.00 O ATOM 1190 CB MET A 84 -8.098 6.737 2.492 1.00 0.00 C ATOM 1191 CG MET A 84 -9.369 7.312 1.891 1.00 0.00 C ATOM 1192 SD MET A 84 -10.466 6.041 1.235 1.00 0.00 S ATOM 1193 CE MET A 84 -11.864 7.034 0.715 1.00 0.00 C ATOM 0 H MET A 84 -6.016 6.174 3.713 1.00 0.00 H new ATOM 0 HA MET A 84 -6.803 8.416 2.190 1.00 0.00 H new ATOM 0 HB2 MET A 84 -7.585 6.143 1.736 1.00 0.00 H new ATOM 0 HB3 MET A 84 -8.364 6.059 3.303 1.00 0.00 H new ATOM 0 HG2 MET A 84 -9.898 7.886 2.652 1.00 0.00 H new ATOM 0 HG3 MET A 84 -9.107 8.007 1.093 1.00 0.00 H new ATOM 0 HE1 MET A 84 -12.630 6.388 0.286 1.00 0.00 H new ATOM 0 HE2 MET A 84 -12.275 7.562 1.575 1.00 0.00 H new ATOM 0 HE3 MET A 84 -11.539 7.757 -0.033 1.00 0.00 H new ATOM 1203 N ASP A 85 -7.861 8.262 5.296 1.00 0.00 N ATOM 1204 CA ASP A 85 -8.491 9.053 6.355 1.00 0.00 C ATOM 1205 C ASP A 85 -7.786 10.391 6.510 1.00 0.00 C ATOM 1206 O ASP A 85 -8.431 11.421 6.643 1.00 0.00 O ATOM 1207 CB ASP A 85 -8.475 8.307 7.688 1.00 0.00 C ATOM 1208 CG ASP A 85 -9.175 9.076 8.793 1.00 0.00 C ATOM 1209 OD1 ASP A 85 -10.420 9.163 8.769 1.00 0.00 O ATOM 1210 OD2 ASP A 85 -8.483 9.587 9.699 1.00 0.00 O ATOM 0 H ASP A 85 -7.448 7.384 5.609 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.528 9.223 6.067 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.956 7.337 7.564 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.443 8.115 7.981 1.00 0.00 H new ATOM 1215 N ILE A 86 -6.456 10.365 6.461 1.00 0.00 N ATOM 1216 CA ILE A 86 -5.652 11.582 6.577 1.00 0.00 C ATOM 1217 C ILE A 86 -5.971 12.549 5.436 1.00 0.00 C ATOM 1218 O ILE A 86 -5.914 13.769 5.593 1.00 0.00 O ATOM 1219 CB ILE A 86 -4.138 11.259 6.552 1.00 0.00 C ATOM 1220 CG1 ILE A 86 -3.793 10.196 7.598 1.00 0.00 C ATOM 1221 CG2 ILE A 86 -3.315 12.517 6.799 1.00 0.00 C ATOM 1222 CD1 ILE A 86 -2.340 9.771 7.574 1.00 0.00 C ATOM 0 H ILE A 86 -5.910 9.512 6.341 1.00 0.00 H new ATOM 0 HA ILE A 86 -5.901 12.045 7.532 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.895 10.869 5.564 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.034 10.582 8.589 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -4.422 9.321 7.435 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.254 12.268 6.777 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.531 13.251 6.023 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -3.570 12.933 7.774 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.169 9.016 8.342 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.099 9.355 6.596 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.705 10.635 7.767 1.00 0.00 H new ATOM 1234 N LEU A 87 -6.325 11.988 4.291 1.00 0.00 N ATOM 1235 CA LEU A 87 -6.581 12.771 3.091 1.00 0.00 C ATOM 1236 C LEU A 87 -8.039 13.208 3.021 1.00 0.00 C ATOM 1237 O LEU A 87 -8.352 14.289 2.521 1.00 0.00 O ATOM 1238 CB LEU A 87 -6.213 11.949 1.860 1.00 0.00 C ATOM 1239 CG LEU A 87 -4.820 11.325 1.916 1.00 0.00 C ATOM 1240 CD1 LEU A 87 -4.576 10.456 0.701 1.00 0.00 C ATOM 1241 CD2 LEU A 87 -3.756 12.404 2.035 1.00 0.00 C ATOM 0 H LEU A 87 -6.443 10.983 4.166 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.966 13.671 3.124 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.949 11.155 1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.278 12.587 0.979 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.761 10.692 2.801 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -3.578 10.021 0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -5.319 9.659 0.669 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.655 11.062 -0.202 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -2.770 11.940 2.074 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.812 13.067 1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.922 12.980 2.946 1.00 0.00 H new ATOM 1253 N ARG A 88 -8.921 12.360 3.529 1.00 0.00 N ATOM 1254 CA ARG A 88 -10.343 12.664 3.586 1.00 0.00 C ATOM 1255 C ARG A 88 -10.611 13.624 4.733 1.00 0.00 C ATOM 1256 O ARG A 88 -11.670 14.242 4.827 1.00 0.00 O ATOM 1257 CB ARG A 88 -11.154 11.374 3.764 1.00 0.00 C ATOM 1258 CG ARG A 88 -12.657 11.567 3.653 1.00 0.00 C ATOM 1259 CD ARG A 88 -13.056 12.019 2.260 1.00 0.00 C ATOM 1260 NE ARG A 88 -14.491 12.270 2.156 1.00 0.00 N ATOM 1261 CZ ARG A 88 -15.162 12.279 1.005 1.00 0.00 C ATOM 1262 NH1 ARG A 88 -14.535 12.010 -0.136 1.00 0.00 N ATOM 1263 NH2 ARG A 88 -16.460 12.549 0.993 1.00 0.00 N ATOM 0 H ARG A 88 -8.673 11.447 3.911 1.00 0.00 H new ATOM 0 HA ARG A 88 -10.649 13.134 2.651 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -10.835 10.650 3.014 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -10.924 10.945 4.739 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -13.164 10.632 3.893 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -12.986 12.305 4.385 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -12.510 12.927 2.003 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -12.768 11.257 1.535 1.00 0.00 H new ATOM 0 HE ARG A 88 -15.010 12.449 3.015 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -13.538 11.796 -0.132 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -15.051 12.018 -1.016 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -16.947 12.750 1.866 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -16.971 12.555 0.111 1.00 0.00 H new ATOM 1277 N GLU A 89 -9.619 13.745 5.585 1.00 0.00 N ATOM 1278 CA GLU A 89 -9.678 14.624 6.733 1.00 0.00 C ATOM 1279 C GLU A 89 -9.313 16.040 6.306 1.00 0.00 C ATOM 1280 O GLU A 89 -8.149 16.255 5.905 1.00 0.00 O ATOM 1281 CB GLU A 89 -8.716 14.130 7.819 1.00 0.00 C ATOM 1282 CG GLU A 89 -8.923 14.790 9.171 1.00 0.00 C ATOM 1283 CD GLU A 89 -10.218 14.365 9.832 1.00 0.00 C ATOM 1284 OE1 GLU A 89 -11.283 14.903 9.469 1.00 0.00 O ATOM 1285 OE2 GLU A 89 -10.172 13.497 10.731 1.00 0.00 O ATOM 1286 OXT GLU A 89 -10.188 16.930 6.358 1.00 0.00 O ATOM 0 H GLU A 89 -8.741 13.233 5.501 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.689 14.624 7.140 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.832 13.052 7.930 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.692 14.308 7.492 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.087 14.542 9.825 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -8.920 15.873 9.047 1.00 0.00 H new TER 1293 GLU A 89