USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 656 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 28 MET CE :methyl -141:sc= -1.77 (180deg=-2.62!) USER MOD Set 1.2: A 33 SER OG : rot -150:sc= -1.23 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 1:sc= 0.356 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 145:sc= 0.172 USER MOD Single : A 16 ASN : amide:sc= -1.57 K(o=-1.6,f=0.24!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.0138 X(o=-0.014,f=-0.073) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0663) USER MOD Single : A 39 LYS NZ :NH3+ -136:sc= 0.386 (180deg=-0.399) USER MOD Single : A 44 ASN : amide:sc= -1.09 K(o=-1.1,f=-0.019) USER MOD Single : A 45 GLN : amide:sc= -13.9! C(o=-14!,f=-21!) USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 CYS SG : rot 24:sc= -6.2! USER MOD Single : A 51 TYR OH : rot -153:sc= -2.2! USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 THR OG1 : rot -170:sc= -1.16 USER MOD Single : A 61 THR OG1 : rot -152:sc= -1.08 USER MOD Single : A 65 THR OG1 : rot -166:sc= -3.99! USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 15.297 -18.889 1.874 1.00 0.00 N ATOM 2 CA GLY A 1 16.664 -19.379 1.926 1.00 0.00 C ATOM 3 C GLY A 1 17.562 -18.602 0.961 1.00 0.00 C ATOM 4 O GLY A 1 17.783 -17.405 1.140 1.00 0.00 O ATOM 0 H1 GLY A 1 14.708 -19.432 2.537 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.278 -17.883 2.138 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.925 -19.001 0.909 1.00 0.00 H new ATOM 0 HA2 GLY A 1 17.049 -19.286 2.941 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.684 -20.439 1.673 1.00 0.00 H new ATOM 8 N SER A 2 18.055 -19.314 -0.042 1.00 0.00 N ATOM 9 CA SER A 2 18.924 -18.706 -1.035 1.00 0.00 C ATOM 10 C SER A 2 18.286 -18.810 -2.422 1.00 0.00 C ATOM 11 O SER A 2 17.891 -19.895 -2.848 1.00 0.00 O ATOM 12 CB SER A 2 20.305 -19.364 -1.036 1.00 0.00 C ATOM 13 OG SER A 2 21.128 -18.878 -2.093 1.00 0.00 O ATOM 0 H SER A 2 17.869 -20.306 -0.188 1.00 0.00 H new ATOM 0 HA SER A 2 19.053 -17.654 -0.779 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.795 -19.179 -0.080 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.192 -20.444 -1.132 1.00 0.00 H new ATOM 0 HG SER A 2 22.001 -19.321 -2.058 1.00 0.00 H new ATOM 19 N SER A 3 18.205 -17.668 -3.088 1.00 0.00 N ATOM 20 CA SER A 3 17.621 -17.617 -4.418 1.00 0.00 C ATOM 21 C SER A 3 18.151 -16.398 -5.176 1.00 0.00 C ATOM 22 O SER A 3 18.130 -15.283 -4.657 1.00 0.00 O ATOM 23 CB SER A 3 16.093 -17.575 -4.348 1.00 0.00 C ATOM 24 OG SER A 3 15.553 -18.758 -3.766 1.00 0.00 O ATOM 0 H SER A 3 18.534 -16.771 -2.732 1.00 0.00 H new ATOM 0 HA SER A 3 17.908 -18.523 -4.952 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.780 -16.709 -3.765 1.00 0.00 H new ATOM 0 HB3 SER A 3 15.687 -17.447 -5.352 1.00 0.00 H new ATOM 0 HG SER A 3 16.283 -19.360 -3.511 1.00 0.00 H new ATOM 30 N GLY A 4 18.614 -16.651 -6.391 1.00 0.00 N ATOM 31 CA GLY A 4 19.149 -15.588 -7.225 1.00 0.00 C ATOM 32 C GLY A 4 18.257 -14.346 -7.169 1.00 0.00 C ATOM 33 O GLY A 4 17.040 -14.444 -7.318 1.00 0.00 O ATOM 0 H GLY A 4 18.630 -17.577 -6.818 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.156 -15.333 -6.894 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.231 -15.935 -8.255 1.00 0.00 H new ATOM 37 N SER A 5 18.897 -13.207 -6.953 1.00 0.00 N ATOM 38 CA SER A 5 18.177 -11.947 -6.875 1.00 0.00 C ATOM 39 C SER A 5 17.239 -11.954 -5.667 1.00 0.00 C ATOM 40 O SER A 5 16.199 -12.611 -5.687 1.00 0.00 O ATOM 41 CB SER A 5 17.387 -11.684 -8.159 1.00 0.00 C ATOM 42 OG SER A 5 16.801 -10.385 -8.169 1.00 0.00 O ATOM 0 H SER A 5 19.907 -13.130 -6.829 1.00 0.00 H new ATOM 0 HA SER A 5 18.905 -11.144 -6.757 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.048 -11.790 -9.019 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.604 -12.436 -8.263 1.00 0.00 H new ATOM 0 HG SER A 5 16.307 -10.255 -9.005 1.00 0.00 H new ATOM 48 N SER A 6 17.640 -11.216 -4.642 1.00 0.00 N ATOM 49 CA SER A 6 16.848 -11.129 -3.427 1.00 0.00 C ATOM 50 C SER A 6 16.765 -9.674 -2.960 1.00 0.00 C ATOM 51 O SER A 6 17.494 -8.817 -3.455 1.00 0.00 O ATOM 52 CB SER A 6 17.437 -12.008 -2.322 1.00 0.00 C ATOM 53 OG SER A 6 16.442 -12.444 -1.400 1.00 0.00 O ATOM 0 H SER A 6 18.503 -10.673 -4.628 1.00 0.00 H new ATOM 0 HA SER A 6 15.844 -11.492 -3.646 1.00 0.00 H new ATOM 0 HB2 SER A 6 17.922 -12.876 -2.769 1.00 0.00 H new ATOM 0 HB3 SER A 6 18.207 -11.452 -1.788 1.00 0.00 H new ATOM 0 HG SER A 6 16.857 -13.004 -0.711 1.00 0.00 H new ATOM 59 N GLY A 7 15.869 -9.441 -2.012 1.00 0.00 N ATOM 60 CA GLY A 7 15.680 -8.105 -1.472 1.00 0.00 C ATOM 61 C GLY A 7 14.839 -8.143 -0.195 1.00 0.00 C ATOM 62 O GLY A 7 14.356 -9.202 0.203 1.00 0.00 O ATOM 0 H GLY A 7 15.266 -10.155 -1.604 1.00 0.00 H new ATOM 0 HA2 GLY A 7 16.650 -7.654 -1.260 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.191 -7.475 -2.215 1.00 0.00 H new ATOM 66 N GLY A 8 14.689 -6.975 0.412 1.00 0.00 N ATOM 67 CA GLY A 8 13.915 -6.862 1.636 1.00 0.00 C ATOM 68 C GLY A 8 13.096 -5.569 1.649 1.00 0.00 C ATOM 69 O GLY A 8 13.274 -4.726 2.526 1.00 0.00 O ATOM 0 H GLY A 8 15.090 -6.099 0.079 1.00 0.00 H new ATOM 0 HA2 GLY A 8 13.249 -7.720 1.730 1.00 0.00 H new ATOM 0 HA3 GLY A 8 14.584 -6.882 2.497 1.00 0.00 H new ATOM 73 N THR A 9 12.216 -5.454 0.664 1.00 0.00 N ATOM 74 CA THR A 9 11.370 -4.278 0.551 1.00 0.00 C ATOM 75 C THR A 9 10.068 -4.626 -0.174 1.00 0.00 C ATOM 76 O THR A 9 9.889 -5.756 -0.627 1.00 0.00 O ATOM 77 CB THR A 9 12.177 -3.179 -0.142 1.00 0.00 C ATOM 78 OG1 THR A 9 12.780 -3.839 -1.252 1.00 0.00 O ATOM 79 CG2 THR A 9 13.363 -2.704 0.699 1.00 0.00 C ATOM 0 H THR A 9 12.071 -6.155 -0.062 1.00 0.00 H new ATOM 0 HA THR A 9 11.071 -3.910 1.532 1.00 0.00 H new ATOM 0 HB THR A 9 11.525 -2.333 -0.360 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.321 -3.198 -1.759 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.902 -1.924 0.161 1.00 0.00 H new ATOM 0 HG22 THR A 9 13.001 -2.307 1.647 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.033 -3.542 0.889 1.00 0.00 H new ATOM 87 N VAL A 10 9.194 -3.635 -0.261 1.00 0.00 N ATOM 88 CA VAL A 10 7.914 -3.822 -0.924 1.00 0.00 C ATOM 89 C VAL A 10 7.578 -2.570 -1.737 1.00 0.00 C ATOM 90 O VAL A 10 7.887 -1.454 -1.322 1.00 0.00 O ATOM 91 CB VAL A 10 6.838 -4.172 0.106 1.00 0.00 C ATOM 92 CG1 VAL A 10 5.460 -4.268 -0.552 1.00 0.00 C ATOM 93 CG2 VAL A 10 7.185 -5.468 0.842 1.00 0.00 C ATOM 0 H VAL A 10 9.346 -2.700 0.116 1.00 0.00 H new ATOM 0 HA VAL A 10 7.963 -4.659 -1.621 1.00 0.00 H new ATOM 0 HB VAL A 10 6.803 -3.368 0.841 1.00 0.00 H new ATOM 0 HG11 VAL A 10 4.713 -4.518 0.202 1.00 0.00 H new ATOM 0 HG12 VAL A 10 5.208 -3.311 -1.009 1.00 0.00 H new ATOM 0 HG13 VAL A 10 5.476 -5.043 -1.318 1.00 0.00 H new ATOM 0 HG21 VAL A 10 6.404 -5.694 1.568 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.261 -6.285 0.124 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.138 -5.349 1.358 1.00 0.00 H new ATOM 103 N LYS A 11 6.950 -2.798 -2.881 1.00 0.00 N ATOM 104 CA LYS A 11 6.569 -1.702 -3.756 1.00 0.00 C ATOM 105 C LYS A 11 5.145 -1.255 -3.416 1.00 0.00 C ATOM 106 O LYS A 11 4.235 -2.078 -3.337 1.00 0.00 O ATOM 107 CB LYS A 11 6.755 -2.098 -5.223 1.00 0.00 C ATOM 108 CG LYS A 11 8.238 -2.270 -5.560 1.00 0.00 C ATOM 109 CD LYS A 11 8.455 -3.474 -6.479 1.00 0.00 C ATOM 110 CE LYS A 11 9.209 -4.589 -5.753 1.00 0.00 C ATOM 111 NZ LYS A 11 9.890 -5.473 -6.726 1.00 0.00 N ATOM 0 H LYS A 11 6.696 -3.725 -3.222 1.00 0.00 H new ATOM 0 HA LYS A 11 7.220 -0.843 -3.596 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.223 -3.028 -5.423 1.00 0.00 H new ATOM 0 HB3 LYS A 11 6.318 -1.336 -5.868 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.612 -1.367 -6.043 1.00 0.00 H new ATOM 0 HG3 LYS A 11 8.811 -2.401 -4.642 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.492 -3.848 -6.827 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.016 -3.166 -7.362 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.941 -4.157 -5.071 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.514 -5.171 -5.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.397 -6.225 -6.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 9.185 -5.900 -7.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 10.567 -4.917 -7.286 1.00 0.00 H new ATOM 125 N VAL A 12 4.998 0.048 -3.225 1.00 0.00 N ATOM 126 CA VAL A 12 3.701 0.614 -2.896 1.00 0.00 C ATOM 127 C VAL A 12 3.238 1.518 -4.040 1.00 0.00 C ATOM 128 O VAL A 12 3.835 2.564 -4.289 1.00 0.00 O ATOM 129 CB VAL A 12 3.774 1.341 -1.552 1.00 0.00 C ATOM 130 CG1 VAL A 12 2.594 2.300 -1.383 1.00 0.00 C ATOM 131 CG2 VAL A 12 3.841 0.345 -0.392 1.00 0.00 C ATOM 0 H VAL A 12 5.756 0.728 -3.292 1.00 0.00 H new ATOM 0 HA VAL A 12 2.957 -0.175 -2.784 1.00 0.00 H new ATOM 0 HB VAL A 12 4.690 1.931 -1.540 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.670 2.804 -0.419 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.610 3.041 -2.182 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.660 1.739 -1.427 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.892 0.888 0.552 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.951 -0.284 -0.401 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.728 -0.280 -0.500 1.00 0.00 H new ATOM 141 N TYR A 13 2.180 1.080 -4.706 1.00 0.00 N ATOM 142 CA TYR A 13 1.630 1.837 -5.818 1.00 0.00 C ATOM 143 C TYR A 13 0.684 2.932 -5.322 1.00 0.00 C ATOM 144 O TYR A 13 -0.355 2.639 -4.732 1.00 0.00 O ATOM 145 CB TYR A 13 0.835 0.835 -6.658 1.00 0.00 C ATOM 146 CG TYR A 13 1.705 -0.091 -7.511 1.00 0.00 C ATOM 147 CD1 TYR A 13 2.668 0.441 -8.344 1.00 0.00 C ATOM 148 CD2 TYR A 13 1.527 -1.458 -7.447 1.00 0.00 C ATOM 149 CE1 TYR A 13 3.487 -0.430 -9.147 1.00 0.00 C ATOM 150 CE2 TYR A 13 2.346 -2.329 -8.250 1.00 0.00 C ATOM 151 CZ TYR A 13 3.285 -1.772 -9.060 1.00 0.00 C ATOM 152 OH TYR A 13 4.059 -2.594 -9.818 1.00 0.00 O ATOM 0 H TYR A 13 1.689 0.211 -4.497 1.00 0.00 H new ATOM 0 HA TYR A 13 2.426 2.319 -6.385 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.219 0.228 -5.994 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.156 1.382 -7.312 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.808 1.511 -8.394 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.774 -1.875 -6.795 1.00 0.00 H new ATOM 0 HE1 TYR A 13 4.244 -0.027 -9.803 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.217 -3.401 -8.210 1.00 0.00 H new ATOM 0 HH TYR A 13 4.234 -3.424 -9.326 1.00 0.00 H new ATOM 162 N LEU A 14 1.077 4.171 -5.580 1.00 0.00 N ATOM 163 CA LEU A 14 0.277 5.311 -5.167 1.00 0.00 C ATOM 164 C LEU A 14 -0.852 5.529 -6.177 1.00 0.00 C ATOM 165 O LEU A 14 -0.802 5.011 -7.291 1.00 0.00 O ATOM 166 CB LEU A 14 1.163 6.541 -4.961 1.00 0.00 C ATOM 167 CG LEU A 14 1.718 6.739 -3.549 1.00 0.00 C ATOM 168 CD1 LEU A 14 2.966 7.623 -3.570 1.00 0.00 C ATOM 169 CD2 LEU A 14 0.642 7.289 -2.610 1.00 0.00 C ATOM 0 H LEU A 14 1.939 4.410 -6.070 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.191 5.118 -4.202 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.002 6.480 -5.654 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.589 7.427 -5.232 1.00 0.00 H new ATOM 0 HG LEU A 14 2.019 5.766 -3.160 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.340 7.748 -2.554 1.00 0.00 H new ATOM 0 HD12 LEU A 14 3.734 7.154 -4.185 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.714 8.598 -3.986 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.062 7.421 -1.613 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.289 8.250 -2.985 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.192 6.589 -2.563 1.00 0.00 H new ATOM 181 N PRO A 15 -1.871 6.316 -5.739 1.00 0.00 N ATOM 182 CA PRO A 15 -3.011 6.608 -6.591 1.00 0.00 C ATOM 183 C PRO A 15 -2.641 7.628 -7.670 1.00 0.00 C ATOM 184 O PRO A 15 -2.722 8.834 -7.444 1.00 0.00 O ATOM 185 CB PRO A 15 -4.091 7.109 -5.646 1.00 0.00 C ATOM 186 CG PRO A 15 -3.372 7.518 -4.371 1.00 0.00 C ATOM 187 CD PRO A 15 -1.965 6.946 -4.425 1.00 0.00 C ATOM 0 HA PRO A 15 -3.358 5.735 -7.143 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.628 7.953 -6.079 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.827 6.330 -5.447 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -3.339 8.604 -4.283 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.903 7.143 -3.496 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.215 7.728 -4.306 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.801 6.223 -3.626 1.00 0.00 H new ATOM 195 N ASN A 16 -2.242 7.106 -8.821 1.00 0.00 N ATOM 196 CA ASN A 16 -1.859 7.956 -9.935 1.00 0.00 C ATOM 197 C ASN A 16 -0.962 7.164 -10.890 1.00 0.00 C ATOM 198 O ASN A 16 -1.270 7.036 -12.074 1.00 0.00 O ATOM 199 CB ASN A 16 -1.074 9.177 -9.453 1.00 0.00 C ATOM 200 CG ASN A 16 -1.900 10.456 -9.608 1.00 0.00 C ATOM 201 OD1 ASN A 16 -2.967 10.609 -9.038 1.00 0.00 O ATOM 202 ND2 ASN A 16 -1.348 11.363 -10.409 1.00 0.00 N ATOM 0 H ASN A 16 -2.176 6.105 -9.006 1.00 0.00 H new ATOM 0 HA ASN A 16 -2.769 8.287 -10.434 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -0.795 9.045 -8.408 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.148 9.266 -10.022 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -1.821 12.251 -10.577 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -0.451 11.171 -10.855 1.00 0.00 H new ATOM 209 N LYS A 17 0.129 6.655 -10.339 1.00 0.00 N ATOM 210 CA LYS A 17 1.073 5.879 -11.127 1.00 0.00 C ATOM 211 C LYS A 17 2.384 5.739 -10.351 1.00 0.00 C ATOM 212 O LYS A 17 3.106 4.757 -10.517 1.00 0.00 O ATOM 213 CB LYS A 17 1.243 6.495 -12.517 1.00 0.00 C ATOM 214 CG LYS A 17 1.335 8.020 -12.434 1.00 0.00 C ATOM 215 CD LYS A 17 2.188 8.581 -13.573 1.00 0.00 C ATOM 216 CE LYS A 17 2.406 10.086 -13.404 1.00 0.00 C ATOM 217 NZ LYS A 17 3.783 10.361 -12.936 1.00 0.00 N ATOM 0 H LYS A 17 0.381 6.764 -9.357 1.00 0.00 H new ATOM 0 HA LYS A 17 0.693 4.871 -11.295 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.143 6.098 -12.987 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.402 6.212 -13.149 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.335 8.451 -12.478 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.766 8.310 -11.476 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.151 8.071 -13.596 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.700 8.385 -14.528 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.230 10.594 -14.352 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.686 10.486 -12.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.914 11.387 -12.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.939 9.892 -12.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.465 9.997 -13.632 1.00 0.00 H new ATOM 231 N GLN A 18 2.653 6.736 -9.521 1.00 0.00 N ATOM 232 CA GLN A 18 3.865 6.737 -8.719 1.00 0.00 C ATOM 233 C GLN A 18 3.876 5.534 -7.773 1.00 0.00 C ATOM 234 O GLN A 18 2.834 4.934 -7.514 1.00 0.00 O ATOM 235 CB GLN A 18 4.008 8.047 -7.942 1.00 0.00 C ATOM 236 CG GLN A 18 4.383 9.200 -8.876 1.00 0.00 C ATOM 237 CD GLN A 18 5.880 9.506 -8.794 1.00 0.00 C ATOM 238 OE1 GLN A 18 6.417 9.833 -7.748 1.00 0.00 O ATOM 239 NE2 GLN A 18 6.522 9.383 -9.952 1.00 0.00 N ATOM 0 H GLN A 18 2.052 7.549 -9.386 1.00 0.00 H new ATOM 0 HA GLN A 18 4.721 6.656 -9.389 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.072 8.276 -7.433 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.771 7.936 -7.171 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.116 8.944 -9.901 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.811 10.089 -8.610 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.012 9.105 -10.791 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.524 9.566 -10.001 1.00 0.00 H new ATOM 248 N ARG A 19 5.066 5.218 -7.283 1.00 0.00 N ATOM 249 CA ARG A 19 5.226 4.098 -6.371 1.00 0.00 C ATOM 250 C ARG A 19 6.373 4.368 -5.395 1.00 0.00 C ATOM 251 O ARG A 19 7.318 5.083 -5.725 1.00 0.00 O ATOM 252 CB ARG A 19 5.509 2.803 -7.135 1.00 0.00 C ATOM 253 CG ARG A 19 6.705 2.971 -8.074 1.00 0.00 C ATOM 254 CD ARG A 19 6.270 3.571 -9.413 1.00 0.00 C ATOM 255 NE ARG A 19 7.181 4.675 -9.791 1.00 0.00 N ATOM 256 CZ ARG A 19 8.382 4.497 -10.358 1.00 0.00 C ATOM 257 NH1 ARG A 19 8.825 3.259 -10.615 1.00 0.00 N ATOM 258 NH2 ARG A 19 9.140 5.558 -10.668 1.00 0.00 N ATOM 0 H ARG A 19 5.928 5.718 -7.500 1.00 0.00 H new ATOM 0 HA ARG A 19 4.294 3.984 -5.818 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.707 1.996 -6.429 1.00 0.00 H new ATOM 0 HB3 ARG A 19 4.628 2.516 -7.710 1.00 0.00 H new ATOM 0 HG2 ARG A 19 7.450 3.615 -7.608 1.00 0.00 H new ATOM 0 HG3 ARG A 19 7.179 2.004 -8.242 1.00 0.00 H new ATOM 0 HD2 ARG A 19 6.277 2.802 -10.185 1.00 0.00 H new ATOM 0 HD3 ARG A 19 5.247 3.941 -9.340 1.00 0.00 H new ATOM 0 HE ARG A 19 6.875 5.631 -9.608 1.00 0.00 H new ATOM 0 HH11 ARG A 19 8.248 2.452 -10.379 1.00 0.00 H new ATOM 0 HH12 ARG A 19 9.739 3.124 -11.047 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.803 6.500 -10.472 1.00 0.00 H new ATOM 0 HH22 ARG A 19 10.054 5.423 -11.100 1.00 0.00 H new ATOM 272 N THR A 20 6.252 3.782 -4.214 1.00 0.00 N ATOM 273 CA THR A 20 7.267 3.950 -3.187 1.00 0.00 C ATOM 274 C THR A 20 7.672 2.593 -2.610 1.00 0.00 C ATOM 275 O THR A 20 6.815 1.774 -2.280 1.00 0.00 O ATOM 276 CB THR A 20 6.721 4.919 -2.137 1.00 0.00 C ATOM 277 OG1 THR A 20 7.813 5.111 -1.241 1.00 0.00 O ATOM 278 CG2 THR A 20 5.632 4.288 -1.267 1.00 0.00 C ATOM 0 H THR A 20 5.467 3.190 -3.944 1.00 0.00 H new ATOM 0 HA THR A 20 8.181 4.377 -3.600 1.00 0.00 H new ATOM 0 HB THR A 20 6.322 5.804 -2.633 1.00 0.00 H new ATOM 0 HG1 THR A 20 7.547 5.729 -0.528 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.279 5.018 -0.539 1.00 0.00 H new ATOM 0 HG22 THR A 20 4.800 3.973 -1.897 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.040 3.423 -0.745 1.00 0.00 H new ATOM 286 N VAL A 21 8.978 2.395 -2.505 1.00 0.00 N ATOM 287 CA VAL A 21 9.507 1.151 -1.973 1.00 0.00 C ATOM 288 C VAL A 21 9.704 1.291 -0.462 1.00 0.00 C ATOM 289 O VAL A 21 10.465 2.143 -0.008 1.00 0.00 O ATOM 290 CB VAL A 21 10.791 0.770 -2.711 1.00 0.00 C ATOM 291 CG1 VAL A 21 10.934 -0.750 -2.815 1.00 0.00 C ATOM 292 CG2 VAL A 21 10.842 1.421 -4.095 1.00 0.00 C ATOM 0 H VAL A 21 9.686 3.076 -2.780 1.00 0.00 H new ATOM 0 HA VAL A 21 8.802 0.336 -2.135 1.00 0.00 H new ATOM 0 HB VAL A 21 11.634 1.147 -2.132 1.00 0.00 H new ATOM 0 HG11 VAL A 21 11.855 -0.993 -3.344 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.965 -1.182 -1.815 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.083 -1.159 -3.360 1.00 0.00 H new ATOM 0 HG21 VAL A 21 11.765 1.134 -4.598 1.00 0.00 H new ATOM 0 HG22 VAL A 21 9.988 1.088 -4.685 1.00 0.00 H new ATOM 0 HG23 VAL A 21 10.809 2.505 -3.988 1.00 0.00 H new ATOM 302 N VAL A 22 9.005 0.440 0.275 1.00 0.00 N ATOM 303 CA VAL A 22 9.094 0.458 1.725 1.00 0.00 C ATOM 304 C VAL A 22 9.909 -0.748 2.196 1.00 0.00 C ATOM 305 O VAL A 22 9.996 -1.756 1.496 1.00 0.00 O ATOM 306 CB VAL A 22 7.691 0.507 2.335 1.00 0.00 C ATOM 307 CG1 VAL A 22 7.760 0.686 3.853 1.00 0.00 C ATOM 308 CG2 VAL A 22 6.851 1.611 1.689 1.00 0.00 C ATOM 0 H VAL A 22 8.375 -0.266 -0.105 1.00 0.00 H new ATOM 0 HA VAL A 22 9.613 1.354 2.065 1.00 0.00 H new ATOM 0 HB VAL A 22 7.203 -0.446 2.132 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.750 0.718 4.262 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.304 -0.150 4.294 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.275 1.618 4.086 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.859 1.624 2.140 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.334 2.575 1.846 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.761 1.421 0.620 1.00 0.00 H new ATOM 318 N THR A 23 10.485 -0.606 3.381 1.00 0.00 N ATOM 319 CA THR A 23 11.290 -1.672 3.954 1.00 0.00 C ATOM 320 C THR A 23 10.413 -2.620 4.775 1.00 0.00 C ATOM 321 O THR A 23 9.426 -2.196 5.374 1.00 0.00 O ATOM 322 CB THR A 23 12.416 -1.029 4.767 1.00 0.00 C ATOM 323 OG1 THR A 23 13.037 -0.132 3.850 1.00 0.00 O ATOM 324 CG2 THR A 23 13.522 -2.024 5.123 1.00 0.00 C ATOM 0 H THR A 23 10.410 0.231 3.960 1.00 0.00 H new ATOM 0 HA THR A 23 11.742 -2.288 3.177 1.00 0.00 H new ATOM 0 HB THR A 23 12.005 -0.601 5.681 1.00 0.00 H new ATOM 0 HG1 THR A 23 13.778 0.330 4.295 1.00 0.00 H new ATOM 0 HG21 THR A 23 14.296 -1.517 5.699 1.00 0.00 H new ATOM 0 HG22 THR A 23 13.103 -2.837 5.715 1.00 0.00 H new ATOM 0 HG23 THR A 23 13.957 -2.428 4.208 1.00 0.00 H new ATOM 332 N VAL A 24 10.805 -3.885 4.776 1.00 0.00 N ATOM 333 CA VAL A 24 10.068 -4.897 5.513 1.00 0.00 C ATOM 334 C VAL A 24 10.607 -4.974 6.943 1.00 0.00 C ATOM 335 O VAL A 24 11.727 -5.434 7.164 1.00 0.00 O ATOM 336 CB VAL A 24 10.135 -6.235 4.775 1.00 0.00 C ATOM 337 CG1 VAL A 24 8.993 -7.158 5.208 1.00 0.00 C ATOM 338 CG2 VAL A 24 10.128 -6.027 3.260 1.00 0.00 C ATOM 0 H VAL A 24 11.624 -4.233 4.278 1.00 0.00 H new ATOM 0 HA VAL A 24 9.013 -4.630 5.578 1.00 0.00 H new ATOM 0 HB VAL A 24 11.075 -6.718 5.042 1.00 0.00 H new ATOM 0 HG11 VAL A 24 9.064 -8.102 4.668 1.00 0.00 H new ATOM 0 HG12 VAL A 24 9.063 -7.346 6.279 1.00 0.00 H new ATOM 0 HG13 VAL A 24 8.037 -6.684 4.985 1.00 0.00 H new ATOM 0 HG21 VAL A 24 10.176 -6.994 2.760 1.00 0.00 H new ATOM 0 HG22 VAL A 24 9.213 -5.513 2.968 1.00 0.00 H new ATOM 0 HG23 VAL A 24 10.990 -5.426 2.971 1.00 0.00 H new ATOM 348 N ARG A 25 9.785 -4.519 7.877 1.00 0.00 N ATOM 349 CA ARG A 25 10.166 -4.531 9.279 1.00 0.00 C ATOM 350 C ARG A 25 9.222 -5.432 10.078 1.00 0.00 C ATOM 351 O ARG A 25 8.023 -5.478 9.804 1.00 0.00 O ATOM 352 CB ARG A 25 10.135 -3.120 9.870 1.00 0.00 C ATOM 353 CG ARG A 25 10.901 -2.136 8.983 1.00 0.00 C ATOM 354 CD ARG A 25 11.719 -1.158 9.828 1.00 0.00 C ATOM 355 NE ARG A 25 12.649 -1.902 10.706 1.00 0.00 N ATOM 356 CZ ARG A 25 13.661 -1.338 11.378 1.00 0.00 C ATOM 357 NH1 ARG A 25 13.881 -0.020 11.277 1.00 0.00 N ATOM 358 NH2 ARG A 25 14.455 -2.091 12.152 1.00 0.00 N ATOM 0 H ARG A 25 8.857 -4.140 7.690 1.00 0.00 H new ATOM 0 HA ARG A 25 11.183 -4.917 9.343 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.102 -2.790 9.977 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.572 -3.131 10.869 1.00 0.00 H new ATOM 0 HG2 ARG A 25 11.563 -2.684 8.313 1.00 0.00 H new ATOM 0 HG3 ARG A 25 10.200 -1.583 8.357 1.00 0.00 H new ATOM 0 HD2 ARG A 25 12.279 -0.484 9.179 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.053 -0.540 10.430 1.00 0.00 H new ATOM 0 HE ARG A 25 12.511 -2.908 10.806 1.00 0.00 H new ATOM 0 HH11 ARG A 25 13.278 0.554 10.688 1.00 0.00 H new ATOM 0 HH12 ARG A 25 14.652 0.409 11.789 1.00 0.00 H new ATOM 0 HH21 ARG A 25 14.289 -3.094 12.230 1.00 0.00 H new ATOM 0 HH22 ARG A 25 15.225 -1.661 12.663 1.00 0.00 H new ATOM 372 N ASP A 26 9.797 -6.125 11.049 1.00 0.00 N ATOM 373 CA ASP A 26 9.022 -7.021 11.889 1.00 0.00 C ATOM 374 C ASP A 26 8.652 -6.304 13.189 1.00 0.00 C ATOM 375 O ASP A 26 9.258 -6.548 14.231 1.00 0.00 O ATOM 376 CB ASP A 26 9.827 -8.271 12.252 1.00 0.00 C ATOM 377 CG ASP A 26 9.562 -9.490 11.367 1.00 0.00 C ATOM 378 OD1 ASP A 26 10.252 -9.600 10.331 1.00 0.00 O ATOM 379 OD2 ASP A 26 8.675 -10.285 11.746 1.00 0.00 O ATOM 0 H ASP A 26 10.791 -6.084 11.273 1.00 0.00 H new ATOM 0 HA ASP A 26 8.130 -7.314 11.335 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.888 -8.028 12.202 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.609 -8.537 13.286 1.00 0.00 H new ATOM 384 N GLY A 27 7.660 -5.432 13.085 1.00 0.00 N ATOM 385 CA GLY A 27 7.203 -4.677 14.239 1.00 0.00 C ATOM 386 C GLY A 27 6.197 -3.600 13.826 1.00 0.00 C ATOM 387 O GLY A 27 5.070 -3.577 14.319 1.00 0.00 O ATOM 0 H GLY A 27 7.160 -5.232 12.219 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.743 -5.352 14.961 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.055 -4.213 14.735 1.00 0.00 H new ATOM 391 N MET A 28 6.641 -2.734 12.927 1.00 0.00 N ATOM 392 CA MET A 28 5.794 -1.658 12.443 1.00 0.00 C ATOM 393 C MET A 28 4.511 -2.208 11.817 1.00 0.00 C ATOM 394 O MET A 28 4.438 -3.389 11.479 1.00 0.00 O ATOM 395 CB MET A 28 6.558 -0.836 11.402 1.00 0.00 C ATOM 396 CG MET A 28 6.542 -1.528 10.038 1.00 0.00 C ATOM 397 SD MET A 28 7.782 -0.809 8.974 1.00 0.00 S ATOM 398 CE MET A 28 7.133 0.847 8.818 1.00 0.00 C ATOM 0 H MET A 28 7.577 -2.756 12.521 1.00 0.00 H new ATOM 0 HA MET A 28 5.521 -1.027 13.289 1.00 0.00 H new ATOM 0 HB2 MET A 28 6.111 0.155 11.316 1.00 0.00 H new ATOM 0 HB3 MET A 28 7.588 -0.694 11.730 1.00 0.00 H new ATOM 0 HG2 MET A 28 6.730 -2.595 10.160 1.00 0.00 H new ATOM 0 HG3 MET A 28 5.557 -1.428 9.582 1.00 0.00 H new ATOM 0 HE1 MET A 28 7.275 1.199 7.796 1.00 0.00 H new ATOM 0 HE2 MET A 28 6.069 0.845 9.057 1.00 0.00 H new ATOM 0 HE3 MET A 28 7.658 1.510 9.506 1.00 0.00 H new ATOM 408 N SER A 29 3.531 -1.327 11.682 1.00 0.00 N ATOM 409 CA SER A 29 2.255 -1.710 11.103 1.00 0.00 C ATOM 410 C SER A 29 2.132 -1.145 9.686 1.00 0.00 C ATOM 411 O SER A 29 3.005 -0.408 9.231 1.00 0.00 O ATOM 412 CB SER A 29 1.090 -1.228 11.970 1.00 0.00 C ATOM 413 OG SER A 29 1.229 0.142 12.336 1.00 0.00 O ATOM 0 H SER A 29 3.595 -0.349 11.964 1.00 0.00 H new ATOM 0 HA SER A 29 2.213 -2.798 11.058 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.154 -1.366 11.429 1.00 0.00 H new ATOM 0 HB3 SER A 29 1.031 -1.840 12.870 1.00 0.00 H new ATOM 0 HG SER A 29 0.465 0.412 12.887 1.00 0.00 H new ATOM 419 N VAL A 30 1.042 -1.513 9.029 1.00 0.00 N ATOM 420 CA VAL A 30 0.794 -1.052 7.674 1.00 0.00 C ATOM 421 C VAL A 30 0.600 0.465 7.683 1.00 0.00 C ATOM 422 O VAL A 30 1.006 1.152 6.747 1.00 0.00 O ATOM 423 CB VAL A 30 -0.397 -1.803 7.076 1.00 0.00 C ATOM 424 CG1 VAL A 30 -0.792 -1.214 5.720 1.00 0.00 C ATOM 425 CG2 VAL A 30 -0.099 -3.299 6.957 1.00 0.00 C ATOM 0 H VAL A 30 0.321 -2.125 9.410 1.00 0.00 H new ATOM 0 HA VAL A 30 1.651 -1.266 7.035 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.242 -1.683 7.753 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.641 -1.766 5.317 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.066 -0.166 5.844 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.050 -1.289 5.032 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.962 -3.809 6.529 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.767 -3.447 6.312 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.111 -3.708 7.945 1.00 0.00 H new ATOM 435 N TYR A 31 -0.020 0.944 8.752 1.00 0.00 N ATOM 436 CA TYR A 31 -0.272 2.368 8.896 1.00 0.00 C ATOM 437 C TYR A 31 1.039 3.150 8.992 1.00 0.00 C ATOM 438 O TYR A 31 1.292 4.047 8.189 1.00 0.00 O ATOM 439 CB TYR A 31 -1.046 2.529 10.205 1.00 0.00 C ATOM 440 CG TYR A 31 -1.251 3.984 10.632 1.00 0.00 C ATOM 441 CD1 TYR A 31 -2.274 4.727 10.079 1.00 0.00 C ATOM 442 CD2 TYR A 31 -0.414 4.553 11.570 1.00 0.00 C ATOM 443 CE1 TYR A 31 -2.467 6.097 10.480 1.00 0.00 C ATOM 444 CE2 TYR A 31 -0.607 5.922 11.971 1.00 0.00 C ATOM 445 CZ TYR A 31 -1.624 6.626 11.407 1.00 0.00 C ATOM 446 OH TYR A 31 -1.807 7.920 11.786 1.00 0.00 O ATOM 0 H TYR A 31 -0.355 0.371 9.527 1.00 0.00 H new ATOM 0 HA TYR A 31 -0.822 2.749 8.036 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.020 2.051 10.100 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -0.515 2.000 10.997 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -2.930 4.281 9.346 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.386 3.971 12.003 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -3.263 6.690 10.054 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.042 6.379 12.703 1.00 0.00 H new ATOM 0 HH TYR A 31 -1.133 8.163 12.455 1.00 0.00 H new ATOM 456 N ASP A 32 1.839 2.782 9.983 1.00 0.00 N ATOM 457 CA ASP A 32 3.118 3.438 10.195 1.00 0.00 C ATOM 458 C ASP A 32 4.000 3.237 8.961 1.00 0.00 C ATOM 459 O ASP A 32 4.952 3.986 8.746 1.00 0.00 O ATOM 460 CB ASP A 32 3.848 2.844 11.401 1.00 0.00 C ATOM 461 CG ASP A 32 3.610 3.573 12.725 1.00 0.00 C ATOM 462 OD1 ASP A 32 2.659 4.383 12.763 1.00 0.00 O ATOM 463 OD2 ASP A 32 4.384 3.303 13.668 1.00 0.00 O ATOM 0 H ASP A 32 1.626 2.038 10.648 1.00 0.00 H new ATOM 0 HA ASP A 32 2.929 4.496 10.374 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.542 1.804 11.516 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.918 2.840 11.193 1.00 0.00 H new ATOM 468 N SER A 33 3.653 2.222 8.184 1.00 0.00 N ATOM 469 CA SER A 33 4.402 1.912 6.978 1.00 0.00 C ATOM 470 C SER A 33 3.921 2.793 5.823 1.00 0.00 C ATOM 471 O SER A 33 4.689 3.587 5.281 1.00 0.00 O ATOM 472 CB SER A 33 4.267 0.434 6.610 1.00 0.00 C ATOM 473 OG SER A 33 5.428 -0.313 6.963 1.00 0.00 O ATOM 0 H SER A 33 2.863 1.603 8.366 1.00 0.00 H new ATOM 0 HA SER A 33 5.456 2.116 7.168 1.00 0.00 H new ATOM 0 HB2 SER A 33 3.398 0.013 7.115 1.00 0.00 H new ATOM 0 HB3 SER A 33 4.089 0.342 5.539 1.00 0.00 H new ATOM 0 HG SER A 33 5.536 -1.063 6.342 1.00 0.00 H new ATOM 479 N LEU A 34 2.652 2.624 5.481 1.00 0.00 N ATOM 480 CA LEU A 34 2.060 3.394 4.400 1.00 0.00 C ATOM 481 C LEU A 34 1.993 4.867 4.807 1.00 0.00 C ATOM 482 O LEU A 34 1.828 5.742 3.958 1.00 0.00 O ATOM 483 CB LEU A 34 0.706 2.804 4.002 1.00 0.00 C ATOM 484 CG LEU A 34 0.726 1.795 2.852 1.00 0.00 C ATOM 485 CD1 LEU A 34 1.357 2.404 1.599 1.00 0.00 C ATOM 486 CD2 LEU A 34 1.421 0.498 3.273 1.00 0.00 C ATOM 0 H LEU A 34 2.018 1.966 5.933 1.00 0.00 H new ATOM 0 HA LEU A 34 2.682 3.338 3.506 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.272 2.320 4.877 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.041 3.623 3.729 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.304 1.541 2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.359 1.666 0.797 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.781 3.276 1.289 1.00 0.00 H new ATOM 0 HD13 LEU A 34 2.382 2.705 1.817 1.00 0.00 H new ATOM 0 HD21 LEU A 34 1.422 -0.202 2.438 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.448 0.714 3.566 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.889 0.057 4.116 1.00 0.00 H new ATOM 498 N ASP A 35 2.125 5.097 6.105 1.00 0.00 N ATOM 499 CA ASP A 35 2.081 6.449 6.634 1.00 0.00 C ATOM 500 C ASP A 35 2.834 7.387 5.688 1.00 0.00 C ATOM 501 O ASP A 35 2.222 8.201 4.998 1.00 0.00 O ATOM 502 CB ASP A 35 2.752 6.525 8.007 1.00 0.00 C ATOM 503 CG ASP A 35 3.020 7.942 8.518 1.00 0.00 C ATOM 504 OD1 ASP A 35 3.897 8.604 7.923 1.00 0.00 O ATOM 505 OD2 ASP A 35 2.342 8.331 9.493 1.00 0.00 O ATOM 0 H ASP A 35 2.263 4.369 6.806 1.00 0.00 H new ATOM 0 HA ASP A 35 1.035 6.741 6.727 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.123 6.007 8.731 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.698 5.986 7.963 1.00 0.00 H new ATOM 510 N LYS A 36 4.151 7.241 5.685 1.00 0.00 N ATOM 511 CA LYS A 36 4.994 8.064 4.835 1.00 0.00 C ATOM 512 C LYS A 36 4.501 7.968 3.390 1.00 0.00 C ATOM 513 O LYS A 36 4.311 8.986 2.726 1.00 0.00 O ATOM 514 CB LYS A 36 6.465 7.684 5.010 1.00 0.00 C ATOM 515 CG LYS A 36 7.014 8.211 6.338 1.00 0.00 C ATOM 516 CD LYS A 36 7.928 9.418 6.113 1.00 0.00 C ATOM 517 CE LYS A 36 7.218 10.499 5.295 1.00 0.00 C ATOM 518 NZ LYS A 36 6.458 11.406 6.184 1.00 0.00 N ATOM 0 H LYS A 36 4.655 6.564 6.258 1.00 0.00 H new ATOM 0 HA LYS A 36 4.923 9.112 5.127 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.571 6.600 4.973 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.050 8.089 4.184 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.188 8.493 6.991 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.567 7.421 6.846 1.00 0.00 H new ATOM 0 HD2 LYS A 36 8.237 9.829 7.074 1.00 0.00 H new ATOM 0 HD3 LYS A 36 8.834 9.101 5.596 1.00 0.00 H new ATOM 0 HE2 LYS A 36 7.949 11.070 4.723 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.543 10.035 4.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 6.066 12.191 5.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 5.682 10.880 6.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.091 11.785 6.917 1.00 0.00 H new ATOM 532 N ALA A 37 4.309 6.735 2.945 1.00 0.00 N ATOM 533 CA ALA A 37 3.842 6.493 1.590 1.00 0.00 C ATOM 534 C ALA A 37 2.748 7.505 1.243 1.00 0.00 C ATOM 535 O ALA A 37 2.619 7.914 0.091 1.00 0.00 O ATOM 536 CB ALA A 37 3.359 5.046 1.467 1.00 0.00 C ATOM 0 H ALA A 37 4.468 5.893 3.498 1.00 0.00 H new ATOM 0 HA ALA A 37 4.653 6.628 0.875 1.00 0.00 H new ATOM 0 HB1 ALA A 37 3.009 4.864 0.451 1.00 0.00 H new ATOM 0 HB2 ALA A 37 4.181 4.367 1.694 1.00 0.00 H new ATOM 0 HB3 ALA A 37 2.542 4.874 2.168 1.00 0.00 H new ATOM 542 N LEU A 38 1.988 7.878 2.262 1.00 0.00 N ATOM 543 CA LEU A 38 0.909 8.834 2.080 1.00 0.00 C ATOM 544 C LEU A 38 1.437 10.247 2.334 1.00 0.00 C ATOM 545 O LEU A 38 1.405 11.096 1.444 1.00 0.00 O ATOM 546 CB LEU A 38 -0.291 8.460 2.952 1.00 0.00 C ATOM 547 CG LEU A 38 -0.851 7.050 2.753 1.00 0.00 C ATOM 548 CD1 LEU A 38 -2.286 6.951 3.275 1.00 0.00 C ATOM 549 CD2 LEU A 38 -0.743 6.619 1.289 1.00 0.00 C ATOM 0 H LEU A 38 2.098 7.535 3.216 1.00 0.00 H new ATOM 0 HA LEU A 38 0.547 8.809 1.052 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.004 8.571 3.998 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.090 9.177 2.763 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.247 6.357 3.338 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.660 5.939 3.121 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.303 7.187 4.339 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.918 7.657 2.737 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.148 5.613 1.175 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.307 7.311 0.664 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.303 6.625 0.984 1.00 0.00 H new ATOM 561 N LYS A 39 1.911 10.457 3.554 1.00 0.00 N ATOM 562 CA LYS A 39 2.446 11.753 3.937 1.00 0.00 C ATOM 563 C LYS A 39 3.272 12.320 2.781 1.00 0.00 C ATOM 564 O LYS A 39 3.090 13.472 2.390 1.00 0.00 O ATOM 565 CB LYS A 39 3.220 11.646 5.252 1.00 0.00 C ATOM 566 CG LYS A 39 2.273 11.707 6.452 1.00 0.00 C ATOM 567 CD LYS A 39 1.010 10.881 6.197 1.00 0.00 C ATOM 568 CE LYS A 39 0.005 11.051 7.338 1.00 0.00 C ATOM 569 NZ LYS A 39 -1.377 10.854 6.845 1.00 0.00 N ATOM 0 H LYS A 39 1.936 9.751 4.290 1.00 0.00 H new ATOM 0 HA LYS A 39 1.637 12.458 4.127 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.780 10.711 5.273 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.948 12.455 5.317 1.00 0.00 H new ATOM 0 HG2 LYS A 39 2.782 11.334 7.341 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.000 12.743 6.652 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.553 11.189 5.256 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.274 9.829 6.094 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.221 10.334 8.130 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.104 12.046 7.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.995 11.592 7.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.387 10.913 5.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.721 9.919 7.142 1.00 0.00 H new ATOM 583 N VAL A 40 4.163 11.485 2.267 1.00 0.00 N ATOM 584 CA VAL A 40 5.018 11.889 1.164 1.00 0.00 C ATOM 585 C VAL A 40 4.217 12.762 0.196 1.00 0.00 C ATOM 586 O VAL A 40 4.720 13.769 -0.301 1.00 0.00 O ATOM 587 CB VAL A 40 5.626 10.656 0.493 1.00 0.00 C ATOM 588 CG1 VAL A 40 4.536 9.667 0.074 1.00 0.00 C ATOM 589 CG2 VAL A 40 6.495 11.053 -0.702 1.00 0.00 C ATOM 0 H VAL A 40 4.311 10.530 2.594 1.00 0.00 H new ATOM 0 HA VAL A 40 5.852 12.488 1.528 1.00 0.00 H new ATOM 0 HB VAL A 40 6.267 10.160 1.222 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.995 8.799 -0.400 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.978 9.347 0.954 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.858 10.149 -0.630 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.915 10.157 -1.160 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.886 11.584 -1.434 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.304 11.701 -0.364 1.00 0.00 H new ATOM 599 N ARG A 41 2.982 12.344 -0.044 1.00 0.00 N ATOM 600 CA ARG A 41 2.106 13.075 -0.943 1.00 0.00 C ATOM 601 C ARG A 41 1.108 13.916 -0.145 1.00 0.00 C ATOM 602 O ARG A 41 0.596 14.917 -0.644 1.00 0.00 O ATOM 603 CB ARG A 41 1.339 12.121 -1.861 1.00 0.00 C ATOM 604 CG ARG A 41 2.282 11.440 -2.855 1.00 0.00 C ATOM 605 CD ARG A 41 1.497 10.627 -3.887 1.00 0.00 C ATOM 606 NE ARG A 41 2.024 10.888 -5.245 1.00 0.00 N ATOM 607 CZ ARG A 41 1.753 11.990 -5.957 1.00 0.00 C ATOM 608 NH1 ARG A 41 0.958 12.940 -5.445 1.00 0.00 N ATOM 609 NH2 ARG A 41 2.276 12.143 -7.181 1.00 0.00 N ATOM 0 H ARG A 41 2.568 11.508 0.369 1.00 0.00 H new ATOM 0 HA ARG A 41 2.729 13.728 -1.555 1.00 0.00 H new ATOM 0 HB2 ARG A 41 0.829 11.366 -1.262 1.00 0.00 H new ATOM 0 HB3 ARG A 41 0.570 12.672 -2.403 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.886 12.192 -3.362 1.00 0.00 H new ATOM 0 HG3 ARG A 41 2.971 10.786 -2.319 1.00 0.00 H new ATOM 0 HD2 ARG A 41 1.571 9.564 -3.657 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.440 10.890 -3.841 1.00 0.00 H new ATOM 0 HE ARG A 41 2.632 10.185 -5.665 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.559 12.824 -4.513 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.752 13.779 -5.987 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.881 11.420 -7.571 1.00 0.00 H new ATOM 0 HH22 ARG A 41 2.069 12.982 -7.723 1.00 0.00 H new ATOM 623 N GLY A 42 0.862 13.480 1.081 1.00 0.00 N ATOM 624 CA GLY A 42 -0.065 14.180 1.953 1.00 0.00 C ATOM 625 C GLY A 42 -1.349 13.371 2.151 1.00 0.00 C ATOM 626 O GLY A 42 -2.294 13.844 2.781 1.00 0.00 O ATOM 0 H GLY A 42 1.289 12.650 1.492 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.406 14.363 2.919 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.306 15.154 1.526 1.00 0.00 H new ATOM 630 N LEU A 43 -1.341 12.165 1.603 1.00 0.00 N ATOM 631 CA LEU A 43 -2.493 11.286 1.711 1.00 0.00 C ATOM 632 C LEU A 43 -2.704 10.909 3.179 1.00 0.00 C ATOM 633 O LEU A 43 -1.756 10.892 3.962 1.00 0.00 O ATOM 634 CB LEU A 43 -2.336 10.080 0.783 1.00 0.00 C ATOM 635 CG LEU A 43 -2.655 10.325 -0.694 1.00 0.00 C ATOM 636 CD1 LEU A 43 -2.045 9.233 -1.574 1.00 0.00 C ATOM 637 CD2 LEU A 43 -4.163 10.462 -0.913 1.00 0.00 C ATOM 0 H LEU A 43 -0.555 11.776 1.083 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.396 11.798 1.379 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -1.310 9.720 0.858 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -2.982 9.280 1.146 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.199 11.270 -0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.286 9.430 -2.618 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.962 9.226 -1.447 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.451 8.264 -1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.363 10.635 -1.970 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.662 9.546 -0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.541 11.302 -0.330 1.00 0.00 H new ATOM 649 N ASN A 44 -3.954 10.616 3.507 1.00 0.00 N ATOM 650 CA ASN A 44 -4.302 10.240 4.867 1.00 0.00 C ATOM 651 C ASN A 44 -4.654 8.752 4.906 1.00 0.00 C ATOM 652 O ASN A 44 -4.984 8.161 3.878 1.00 0.00 O ATOM 653 CB ASN A 44 -5.517 11.027 5.362 1.00 0.00 C ATOM 654 CG ASN A 44 -5.420 11.298 6.865 1.00 0.00 C ATOM 655 OD1 ASN A 44 -4.981 12.347 7.306 1.00 0.00 O ATOM 656 ND2 ASN A 44 -5.852 10.295 7.624 1.00 0.00 N ATOM 0 H ASN A 44 -4.738 10.631 2.855 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.447 10.458 5.507 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -5.587 11.971 4.822 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -6.428 10.469 5.148 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -5.828 10.377 8.640 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -6.208 9.443 7.190 1.00 0.00 H new ATOM 663 N GLN A 45 -4.573 8.188 6.102 1.00 0.00 N ATOM 664 CA GLN A 45 -4.879 6.780 6.288 1.00 0.00 C ATOM 665 C GLN A 45 -6.320 6.610 6.773 1.00 0.00 C ATOM 666 O GLN A 45 -6.591 5.790 7.650 1.00 0.00 O ATOM 667 CB GLN A 45 -3.893 6.128 7.260 1.00 0.00 C ATOM 668 CG GLN A 45 -2.456 6.553 6.950 1.00 0.00 C ATOM 669 CD GLN A 45 -1.686 5.423 6.263 1.00 0.00 C ATOM 670 OE1 GLN A 45 -1.859 5.144 5.088 1.00 0.00 O ATOM 671 NE2 GLN A 45 -0.829 4.790 7.060 1.00 0.00 N ATOM 0 H GLN A 45 -4.300 8.681 6.952 1.00 0.00 H new ATOM 0 HA GLN A 45 -4.778 6.276 5.327 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -4.146 6.408 8.283 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -3.977 5.043 7.196 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.464 7.435 6.309 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.949 6.835 7.873 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.733 5.075 8.035 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.268 4.020 6.696 1.00 0.00 H new ATOM 680 N ASP A 46 -7.207 7.397 6.182 1.00 0.00 N ATOM 681 CA ASP A 46 -8.613 7.344 6.543 1.00 0.00 C ATOM 682 C ASP A 46 -9.460 7.271 5.270 1.00 0.00 C ATOM 683 O ASP A 46 -10.312 6.394 5.137 1.00 0.00 O ATOM 684 CB ASP A 46 -9.031 8.595 7.317 1.00 0.00 C ATOM 685 CG ASP A 46 -9.155 8.408 8.831 1.00 0.00 C ATOM 686 OD1 ASP A 46 -9.471 7.269 9.237 1.00 0.00 O ATOM 687 OD2 ASP A 46 -8.930 9.408 9.546 1.00 0.00 O ATOM 0 H ASP A 46 -6.979 8.075 5.455 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.767 6.465 7.169 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.305 9.384 7.122 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.989 8.941 6.929 1.00 0.00 H new ATOM 692 N CYS A 47 -9.194 8.203 4.367 1.00 0.00 N ATOM 693 CA CYS A 47 -9.921 8.256 3.110 1.00 0.00 C ATOM 694 C CYS A 47 -9.063 7.591 2.031 1.00 0.00 C ATOM 695 O CYS A 47 -9.078 8.010 0.875 1.00 0.00 O ATOM 696 CB CYS A 47 -10.299 9.690 2.734 1.00 0.00 C ATOM 697 SG CYS A 47 -12.041 9.753 2.177 1.00 0.00 S ATOM 0 H CYS A 47 -8.485 8.928 4.481 1.00 0.00 H new ATOM 0 HA CYS A 47 -10.863 7.716 3.209 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -10.159 10.348 3.591 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -9.642 10.052 1.943 1.00 0.00 H new ATOM 0 HG CYS A 47 -12.352 10.975 1.862 1.00 0.00 H new ATOM 703 N CYS A 48 -8.336 6.564 2.448 1.00 0.00 N ATOM 704 CA CYS A 48 -7.474 5.837 1.532 1.00 0.00 C ATOM 705 C CYS A 48 -7.558 4.348 1.874 1.00 0.00 C ATOM 706 O CYS A 48 -7.873 3.984 3.006 1.00 0.00 O ATOM 707 CB CYS A 48 -6.035 6.353 1.580 1.00 0.00 C ATOM 708 SG CYS A 48 -5.885 7.882 0.584 1.00 0.00 S ATOM 0 H CYS A 48 -8.327 6.219 3.408 1.00 0.00 H new ATOM 0 HA CYS A 48 -7.812 5.994 0.508 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.745 6.551 2.612 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.354 5.592 1.198 1.00 0.00 H new ATOM 0 HG CYS A 48 -7.050 8.449 0.482 1.00 0.00 H new ATOM 714 N VAL A 49 -7.271 3.527 0.874 1.00 0.00 N ATOM 715 CA VAL A 49 -7.310 2.086 1.055 1.00 0.00 C ATOM 716 C VAL A 49 -6.095 1.457 0.368 1.00 0.00 C ATOM 717 O VAL A 49 -5.610 1.973 -0.638 1.00 0.00 O ATOM 718 CB VAL A 49 -8.640 1.530 0.543 1.00 0.00 C ATOM 719 CG1 VAL A 49 -8.957 2.066 -0.855 1.00 0.00 C ATOM 720 CG2 VAL A 49 -8.636 0.000 0.555 1.00 0.00 C ATOM 0 H VAL A 49 -7.011 3.832 -0.064 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.253 1.832 2.114 1.00 0.00 H new ATOM 0 HB VAL A 49 -9.426 1.868 1.218 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -9.908 1.655 -1.195 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -9.023 3.153 -0.821 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.167 1.772 -1.545 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -9.593 -0.369 0.186 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.834 -0.367 -0.086 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.478 -0.355 1.573 1.00 0.00 H new ATOM 730 N VAL A 50 -5.639 0.352 0.939 1.00 0.00 N ATOM 731 CA VAL A 50 -4.491 -0.352 0.394 1.00 0.00 C ATOM 732 C VAL A 50 -4.924 -1.745 -0.066 1.00 0.00 C ATOM 733 O VAL A 50 -5.485 -2.514 0.713 1.00 0.00 O ATOM 734 CB VAL A 50 -3.361 -0.388 1.426 1.00 0.00 C ATOM 735 CG1 VAL A 50 -2.085 -0.978 0.822 1.00 0.00 C ATOM 736 CG2 VAL A 50 -3.101 1.006 2.002 1.00 0.00 C ATOM 0 H VAL A 50 -6.044 -0.073 1.773 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.100 0.172 -0.478 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.675 -1.036 2.244 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.298 -0.992 1.576 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.280 -1.995 0.482 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.767 -0.368 -0.023 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.294 0.953 2.733 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.818 1.685 1.198 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.005 1.374 2.487 1.00 0.00 H new ATOM 746 N TYR A 51 -4.646 -2.029 -1.331 1.00 0.00 N ATOM 747 CA TYR A 51 -5.000 -3.316 -1.904 1.00 0.00 C ATOM 748 C TYR A 51 -3.770 -4.219 -2.025 1.00 0.00 C ATOM 749 O TYR A 51 -2.683 -3.751 -2.360 1.00 0.00 O ATOM 750 CB TYR A 51 -5.540 -3.020 -3.304 1.00 0.00 C ATOM 751 CG TYR A 51 -6.401 -1.758 -3.385 1.00 0.00 C ATOM 752 CD1 TYR A 51 -7.401 -1.544 -2.458 1.00 0.00 C ATOM 753 CD2 TYR A 51 -6.177 -0.833 -4.384 1.00 0.00 C ATOM 754 CE1 TYR A 51 -8.211 -0.356 -2.534 1.00 0.00 C ATOM 755 CE2 TYR A 51 -6.988 0.356 -4.460 1.00 0.00 C ATOM 756 CZ TYR A 51 -7.964 0.535 -3.531 1.00 0.00 C ATOM 757 OH TYR A 51 -8.730 1.657 -3.603 1.00 0.00 O ATOM 0 H TYR A 51 -4.180 -1.389 -1.974 1.00 0.00 H new ATOM 0 HA TYR A 51 -5.728 -3.829 -1.275 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -4.701 -2.920 -3.992 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.130 -3.872 -3.642 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -7.576 -2.268 -1.676 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -5.394 -1.000 -5.109 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.997 -0.177 -1.815 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.824 1.088 -5.237 1.00 0.00 H new ATOM 0 HH TYR A 51 -8.765 1.970 -4.531 1.00 0.00 H new ATOM 767 N ARG A 52 -3.984 -5.496 -1.747 1.00 0.00 N ATOM 768 CA ARG A 52 -2.907 -6.469 -1.820 1.00 0.00 C ATOM 769 C ARG A 52 -3.206 -7.512 -2.899 1.00 0.00 C ATOM 770 O ARG A 52 -4.363 -7.863 -3.124 1.00 0.00 O ATOM 771 CB ARG A 52 -2.710 -7.176 -0.478 1.00 0.00 C ATOM 772 CG ARG A 52 -2.752 -6.177 0.680 1.00 0.00 C ATOM 773 CD ARG A 52 -2.990 -6.890 2.012 1.00 0.00 C ATOM 774 NE ARG A 52 -4.424 -7.228 2.157 1.00 0.00 N ATOM 775 CZ ARG A 52 -4.908 -8.070 3.080 1.00 0.00 C ATOM 776 NH1 ARG A 52 -4.076 -8.665 3.946 1.00 0.00 N ATOM 777 NH2 ARG A 52 -6.223 -8.317 3.138 1.00 0.00 N ATOM 0 H ARG A 52 -4.888 -5.880 -1.471 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.993 -5.932 -2.072 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.487 -7.929 -0.342 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.754 -7.700 -0.476 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.813 -5.624 0.722 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -3.544 -5.448 0.507 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.388 -7.797 2.061 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.673 -6.252 2.837 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.085 -6.793 1.514 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.074 -8.477 3.902 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.444 -9.306 4.649 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.857 -7.864 2.479 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.591 -8.958 3.841 1.00 0.00 H new ATOM 791 N LEU A 53 -2.143 -7.977 -3.538 1.00 0.00 N ATOM 792 CA LEU A 53 -2.277 -8.972 -4.588 1.00 0.00 C ATOM 793 C LEU A 53 -2.209 -10.371 -3.971 1.00 0.00 C ATOM 794 O LEU A 53 -1.122 -10.887 -3.713 1.00 0.00 O ATOM 795 CB LEU A 53 -1.240 -8.734 -5.688 1.00 0.00 C ATOM 796 CG LEU A 53 -1.691 -7.855 -6.856 1.00 0.00 C ATOM 797 CD1 LEU A 53 -2.234 -8.707 -8.005 1.00 0.00 C ATOM 798 CD2 LEU A 53 -2.703 -6.805 -6.393 1.00 0.00 C ATOM 0 H LEU A 53 -1.185 -7.683 -3.349 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.249 -8.884 -5.074 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.358 -8.279 -5.236 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -0.932 -9.701 -6.085 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.821 -7.318 -7.236 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.548 -8.058 -8.823 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.454 -9.383 -8.357 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.087 -9.288 -7.655 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.007 -6.194 -7.242 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.577 -7.303 -5.972 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.247 -6.170 -5.634 1.00 0.00 H new ATOM 810 N ILE A 54 -3.383 -10.944 -3.753 1.00 0.00 N ATOM 811 CA ILE A 54 -3.470 -12.273 -3.171 1.00 0.00 C ATOM 812 C ILE A 54 -3.693 -13.299 -4.284 1.00 0.00 C ATOM 813 O ILE A 54 -2.799 -14.082 -4.599 1.00 0.00 O ATOM 814 CB ILE A 54 -4.540 -12.309 -2.077 1.00 0.00 C ATOM 815 CG1 ILE A 54 -3.998 -11.748 -0.761 1.00 0.00 C ATOM 816 CG2 ILE A 54 -5.103 -13.722 -1.909 1.00 0.00 C ATOM 817 CD1 ILE A 54 -3.895 -10.222 -0.818 1.00 0.00 C ATOM 0 H ILE A 54 -4.282 -10.513 -3.969 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.534 -12.536 -2.678 1.00 0.00 H new ATOM 0 HB ILE A 54 -5.365 -11.667 -2.384 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -4.651 -12.042 0.061 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.016 -12.175 -0.556 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -5.861 -13.721 -1.126 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.551 -14.049 -2.847 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.298 -14.404 -1.634 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.507 -9.848 0.129 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.222 -9.933 -1.625 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -4.882 -9.797 -0.999 1.00 0.00 H new ATOM 829 N LYS A 55 -4.892 -13.261 -4.848 1.00 0.00 N ATOM 830 CA LYS A 55 -5.243 -14.178 -5.919 1.00 0.00 C ATOM 831 C LYS A 55 -5.563 -13.379 -7.184 1.00 0.00 C ATOM 832 O LYS A 55 -6.615 -13.567 -7.793 1.00 0.00 O ATOM 833 CB LYS A 55 -6.375 -15.108 -5.478 1.00 0.00 C ATOM 834 CG LYS A 55 -5.910 -16.566 -5.458 1.00 0.00 C ATOM 835 CD LYS A 55 -5.536 -17.003 -4.041 1.00 0.00 C ATOM 836 CE LYS A 55 -4.557 -18.179 -4.070 1.00 0.00 C ATOM 837 NZ LYS A 55 -5.286 -19.457 -4.230 1.00 0.00 N ATOM 0 H LYS A 55 -5.632 -12.610 -4.584 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.400 -14.828 -6.156 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.722 -14.819 -4.486 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.222 -15.002 -6.155 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -6.701 -17.209 -5.844 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -5.051 -16.687 -6.118 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.089 -16.166 -3.505 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -6.435 -17.287 -3.495 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.851 -18.051 -4.890 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.975 -18.198 -3.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -4.607 -20.244 -4.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.943 -19.584 -3.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.822 -19.442 -5.121 1.00 0.00 H new ATOM 851 N GLY A 56 -4.635 -12.503 -7.543 1.00 0.00 N ATOM 852 CA GLY A 56 -4.804 -11.675 -8.724 1.00 0.00 C ATOM 853 C GLY A 56 -6.019 -10.755 -8.580 1.00 0.00 C ATOM 854 O GLY A 56 -6.727 -10.499 -9.552 1.00 0.00 O ATOM 0 H GLY A 56 -3.763 -12.349 -7.036 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.907 -11.076 -8.884 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.925 -12.309 -9.602 1.00 0.00 H new ATOM 858 N ARG A 57 -6.221 -10.284 -7.358 1.00 0.00 N ATOM 859 CA ARG A 57 -7.338 -9.398 -7.074 1.00 0.00 C ATOM 860 C ARG A 57 -6.978 -8.439 -5.937 1.00 0.00 C ATOM 861 O ARG A 57 -6.348 -8.838 -4.959 1.00 0.00 O ATOM 862 CB ARG A 57 -8.586 -10.193 -6.686 1.00 0.00 C ATOM 863 CG ARG A 57 -8.338 -11.022 -5.425 1.00 0.00 C ATOM 864 CD ARG A 57 -9.358 -10.684 -4.336 1.00 0.00 C ATOM 865 NE ARG A 57 -10.369 -11.760 -4.237 1.00 0.00 N ATOM 866 CZ ARG A 57 -11.204 -11.914 -3.200 1.00 0.00 C ATOM 867 NH1 ARG A 57 -11.153 -11.062 -2.167 1.00 0.00 N ATOM 868 NH2 ARG A 57 -12.089 -12.920 -3.196 1.00 0.00 N ATOM 0 H ARG A 57 -5.631 -10.499 -6.554 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.550 -8.830 -7.980 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.419 -9.510 -6.519 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.873 -10.850 -7.507 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.397 -12.083 -5.666 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.330 -10.834 -5.055 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.852 -10.560 -3.378 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.845 -9.736 -4.564 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.435 -12.426 -5.006 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.479 -10.297 -2.170 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.788 -11.179 -1.378 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.127 -13.569 -3.982 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.724 -13.037 -2.407 1.00 0.00 H new ATOM 882 N LYS A 58 -7.395 -7.192 -6.103 1.00 0.00 N ATOM 883 CA LYS A 58 -7.124 -6.173 -5.103 1.00 0.00 C ATOM 884 C LYS A 58 -7.761 -6.587 -3.775 1.00 0.00 C ATOM 885 O LYS A 58 -8.982 -6.564 -3.634 1.00 0.00 O ATOM 886 CB LYS A 58 -7.579 -4.800 -5.602 1.00 0.00 C ATOM 887 CG LYS A 58 -6.526 -4.173 -6.517 1.00 0.00 C ATOM 888 CD LYS A 58 -7.160 -3.664 -7.814 1.00 0.00 C ATOM 889 CE LYS A 58 -6.246 -2.654 -8.511 1.00 0.00 C ATOM 890 NZ LYS A 58 -6.805 -1.288 -8.401 1.00 0.00 N ATOM 0 H LYS A 58 -7.918 -6.864 -6.915 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.052 -6.084 -4.929 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.522 -4.899 -6.141 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.765 -4.143 -4.752 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -6.034 -3.349 -6.000 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.756 -4.909 -6.749 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -7.356 -4.503 -8.481 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -8.121 -3.199 -7.595 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -5.253 -2.684 -8.063 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.131 -2.923 -9.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -6.173 -0.615 -8.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.743 -1.260 -8.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.892 -1.028 -7.398 1.00 0.00 H new ATOM 904 N THR A 59 -6.903 -6.957 -2.835 1.00 0.00 N ATOM 905 CA THR A 59 -7.367 -7.375 -1.523 1.00 0.00 C ATOM 906 C THR A 59 -7.088 -6.285 -0.486 1.00 0.00 C ATOM 907 O THR A 59 -5.953 -6.122 -0.041 1.00 0.00 O ATOM 908 CB THR A 59 -6.702 -8.713 -1.191 1.00 0.00 C ATOM 909 OG1 THR A 59 -7.472 -9.671 -1.911 1.00 0.00 O ATOM 910 CG2 THR A 59 -6.887 -9.112 0.275 1.00 0.00 C ATOM 0 H THR A 59 -5.890 -6.976 -2.956 1.00 0.00 H new ATOM 0 HA THR A 59 -8.447 -7.520 -1.513 1.00 0.00 H new ATOM 0 HB THR A 59 -5.638 -8.656 -1.420 1.00 0.00 H new ATOM 0 HG1 THR A 59 -7.214 -10.574 -1.632 1.00 0.00 H new ATOM 0 HG21 THR A 59 -6.396 -10.068 0.457 1.00 0.00 H new ATOM 0 HG22 THR A 59 -6.446 -8.350 0.918 1.00 0.00 H new ATOM 0 HG23 THR A 59 -7.951 -9.202 0.496 1.00 0.00 H new ATOM 918 N VAL A 60 -8.143 -5.566 -0.132 1.00 0.00 N ATOM 919 CA VAL A 60 -8.027 -4.496 0.844 1.00 0.00 C ATOM 920 C VAL A 60 -7.342 -5.032 2.103 1.00 0.00 C ATOM 921 O VAL A 60 -7.491 -6.204 2.443 1.00 0.00 O ATOM 922 CB VAL A 60 -9.404 -3.891 1.124 1.00 0.00 C ATOM 923 CG1 VAL A 60 -9.331 -2.862 2.254 1.00 0.00 C ATOM 924 CG2 VAL A 60 -9.999 -3.272 -0.143 1.00 0.00 C ATOM 0 H VAL A 60 -9.083 -5.704 -0.504 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.406 -3.689 0.454 1.00 0.00 H new ATOM 0 HB VAL A 60 -10.064 -4.696 1.446 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.323 -2.447 2.433 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.970 -3.344 3.162 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.648 -2.061 1.973 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -10.978 -2.849 0.084 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.339 -2.485 -0.508 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -10.104 -4.041 -0.909 1.00 0.00 H new ATOM 934 N THR A 61 -6.607 -4.147 2.760 1.00 0.00 N ATOM 935 CA THR A 61 -5.899 -4.517 3.974 1.00 0.00 C ATOM 936 C THR A 61 -6.269 -3.569 5.116 1.00 0.00 C ATOM 937 O THR A 61 -6.824 -2.497 4.883 1.00 0.00 O ATOM 938 CB THR A 61 -4.401 -4.535 3.661 1.00 0.00 C ATOM 939 OG1 THR A 61 -3.877 -5.535 4.530 1.00 0.00 O ATOM 940 CG2 THR A 61 -3.695 -3.251 4.101 1.00 0.00 C ATOM 0 H THR A 61 -6.486 -3.175 2.475 1.00 0.00 H new ATOM 0 HA THR A 61 -6.187 -5.512 4.312 1.00 0.00 H new ATOM 0 HB THR A 61 -4.256 -4.680 2.590 1.00 0.00 H new ATOM 0 HG1 THR A 61 -2.941 -5.331 4.737 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.635 -3.316 3.856 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.135 -2.398 3.584 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.811 -3.122 5.177 1.00 0.00 H new ATOM 948 N ALA A 62 -5.947 -4.000 6.327 1.00 0.00 N ATOM 949 CA ALA A 62 -6.239 -3.203 7.507 1.00 0.00 C ATOM 950 C ALA A 62 -5.069 -2.257 7.781 1.00 0.00 C ATOM 951 O ALA A 62 -3.965 -2.469 7.281 1.00 0.00 O ATOM 952 CB ALA A 62 -6.529 -4.130 8.690 1.00 0.00 C ATOM 0 H ALA A 62 -5.487 -4.890 6.517 1.00 0.00 H new ATOM 0 HA ALA A 62 -7.127 -2.591 7.347 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.748 -3.533 9.575 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.387 -4.761 8.456 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.659 -4.758 8.882 1.00 0.00 H new ATOM 958 N TRP A 63 -5.350 -1.233 8.573 1.00 0.00 N ATOM 959 CA TRP A 63 -4.334 -0.253 8.919 1.00 0.00 C ATOM 960 C TRP A 63 -3.641 -0.722 10.200 1.00 0.00 C ATOM 961 O TRP A 63 -2.429 -0.574 10.344 1.00 0.00 O ATOM 962 CB TRP A 63 -4.942 1.145 9.046 1.00 0.00 C ATOM 963 CG TRP A 63 -5.405 1.746 7.717 1.00 0.00 C ATOM 964 CD1 TRP A 63 -6.662 1.955 7.300 1.00 0.00 C ATOM 965 CD2 TRP A 63 -4.562 2.208 6.641 1.00 0.00 C ATOM 966 NE1 TRP A 63 -6.689 2.517 6.040 1.00 0.00 N ATOM 967 CE2 TRP A 63 -5.371 2.675 5.626 1.00 0.00 C ATOM 968 CE3 TRP A 63 -3.160 2.230 6.530 1.00 0.00 C ATOM 969 CZ2 TRP A 63 -4.873 3.199 4.428 1.00 0.00 C ATOM 970 CZ3 TRP A 63 -2.678 2.757 5.325 1.00 0.00 C ATOM 971 CH2 TRP A 63 -3.480 3.231 4.294 1.00 0.00 C ATOM 0 H TRP A 63 -6.267 -1.060 8.985 1.00 0.00 H new ATOM 0 HA TRP A 63 -3.588 -0.175 8.128 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -5.791 1.100 9.728 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -4.206 1.810 9.497 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -7.542 1.714 7.877 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -7.523 2.770 5.510 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -2.507 1.869 7.311 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -5.528 3.559 3.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -1.608 2.798 5.188 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -3.031 3.622 3.393 1.00 0.00 H new ATOM 982 N ASP A 64 -4.441 -1.280 11.097 1.00 0.00 N ATOM 983 CA ASP A 64 -3.920 -1.772 12.361 1.00 0.00 C ATOM 984 C ASP A 64 -3.026 -2.986 12.101 1.00 0.00 C ATOM 985 O ASP A 64 -2.081 -3.236 12.846 1.00 0.00 O ATOM 986 CB ASP A 64 -5.053 -2.209 13.291 1.00 0.00 C ATOM 987 CG ASP A 64 -5.835 -1.065 13.940 1.00 0.00 C ATOM 988 OD1 ASP A 64 -5.521 0.098 13.606 1.00 0.00 O ATOM 989 OD2 ASP A 64 -6.728 -1.380 14.756 1.00 0.00 O ATOM 0 H ASP A 64 -5.446 -1.402 10.973 1.00 0.00 H new ATOM 0 HA ASP A 64 -3.359 -0.965 12.832 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -5.748 -2.829 12.725 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -4.635 -2.836 14.079 1.00 0.00 H new ATOM 994 N THR A 65 -3.358 -3.709 11.041 1.00 0.00 N ATOM 995 CA THR A 65 -2.597 -4.891 10.673 1.00 0.00 C ATOM 996 C THR A 65 -1.097 -4.591 10.704 1.00 0.00 C ATOM 997 O THR A 65 -0.694 -3.438 10.850 1.00 0.00 O ATOM 998 CB THR A 65 -3.094 -5.367 9.307 1.00 0.00 C ATOM 999 OG1 THR A 65 -4.385 -5.908 9.576 1.00 0.00 O ATOM 1000 CG2 THR A 65 -2.295 -6.558 8.776 1.00 0.00 C ATOM 0 H THR A 65 -4.144 -3.499 10.425 1.00 0.00 H new ATOM 0 HA THR A 65 -2.749 -5.698 11.389 1.00 0.00 H new ATOM 0 HB THR A 65 -3.037 -4.545 8.594 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.687 -6.433 8.806 1.00 0.00 H new ATOM 0 HG21 THR A 65 -2.689 -6.856 7.804 1.00 0.00 H new ATOM 0 HG22 THR A 65 -1.247 -6.276 8.672 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.379 -7.392 9.473 1.00 0.00 H new ATOM 1008 N ALA A 66 -0.312 -5.648 10.563 1.00 0.00 N ATOM 1009 CA ALA A 66 1.135 -5.512 10.572 1.00 0.00 C ATOM 1010 C ALA A 66 1.652 -5.515 9.132 1.00 0.00 C ATOM 1011 O ALA A 66 0.895 -5.768 8.197 1.00 0.00 O ATOM 1012 CB ALA A 66 1.748 -6.634 11.414 1.00 0.00 C ATOM 0 H ALA A 66 -0.650 -6.603 10.442 1.00 0.00 H new ATOM 0 HA ALA A 66 1.429 -4.566 11.026 1.00 0.00 H new ATOM 0 HB1 ALA A 66 2.833 -6.532 11.421 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.371 -6.570 12.435 1.00 0.00 H new ATOM 0 HB3 ALA A 66 1.477 -7.599 10.987 1.00 0.00 H new ATOM 1018 N ILE A 67 2.939 -5.230 8.999 1.00 0.00 N ATOM 1019 CA ILE A 67 3.567 -5.196 7.689 1.00 0.00 C ATOM 1020 C ILE A 67 4.519 -6.386 7.553 1.00 0.00 C ATOM 1021 O ILE A 67 5.382 -6.399 6.677 1.00 0.00 O ATOM 1022 CB ILE A 67 4.238 -3.842 7.451 1.00 0.00 C ATOM 1023 CG1 ILE A 67 4.638 -3.678 5.984 1.00 0.00 C ATOM 1024 CG2 ILE A 67 5.427 -3.646 8.394 1.00 0.00 C ATOM 1025 CD1 ILE A 67 3.618 -2.822 5.230 1.00 0.00 C ATOM 0 H ILE A 67 3.564 -5.020 9.777 1.00 0.00 H new ATOM 0 HA ILE A 67 2.817 -5.296 6.905 1.00 0.00 H new ATOM 0 HB ILE A 67 3.515 -3.059 7.677 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.623 -3.216 5.921 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.715 -4.658 5.513 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.886 -2.676 8.204 1.00 0.00 H new ATOM 0 HG22 ILE A 67 5.083 -3.688 9.427 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.160 -4.434 8.223 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.926 -2.721 4.189 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.639 -3.299 5.274 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.561 -1.835 5.689 1.00 0.00 H new ATOM 1037 N ALA A 68 4.329 -7.358 8.434 1.00 0.00 N ATOM 1038 CA ALA A 68 5.160 -8.550 8.423 1.00 0.00 C ATOM 1039 C ALA A 68 4.708 -9.471 7.288 1.00 0.00 C ATOM 1040 O ALA A 68 5.507 -9.845 6.432 1.00 0.00 O ATOM 1041 CB ALA A 68 5.091 -9.233 9.791 1.00 0.00 C ATOM 0 H ALA A 68 3.612 -7.344 9.160 1.00 0.00 H new ATOM 0 HA ALA A 68 6.203 -8.290 8.241 1.00 0.00 H new ATOM 0 HB1 ALA A 68 5.714 -10.127 9.783 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.450 -8.547 10.559 1.00 0.00 H new ATOM 0 HB3 ALA A 68 4.060 -9.512 10.007 1.00 0.00 H new ATOM 1047 N PRO A 69 3.394 -9.820 7.320 1.00 0.00 N ATOM 1048 CA PRO A 69 2.826 -10.691 6.304 1.00 0.00 C ATOM 1049 C PRO A 69 2.631 -9.940 4.985 1.00 0.00 C ATOM 1050 O PRO A 69 1.520 -9.877 4.461 1.00 0.00 O ATOM 1051 CB PRO A 69 1.521 -11.192 6.901 1.00 0.00 C ATOM 1052 CG PRO A 69 1.179 -10.228 8.025 1.00 0.00 C ATOM 1053 CD PRO A 69 2.417 -9.396 8.319 1.00 0.00 C ATOM 0 HA PRO A 69 3.480 -11.526 6.052 1.00 0.00 H new ATOM 0 HB2 PRO A 69 0.731 -11.213 6.150 1.00 0.00 H new ATOM 0 HB3 PRO A 69 1.629 -12.209 7.278 1.00 0.00 H new ATOM 0 HG2 PRO A 69 0.347 -9.586 7.737 1.00 0.00 H new ATOM 0 HG3 PRO A 69 0.866 -10.775 8.915 1.00 0.00 H new ATOM 0 HD2 PRO A 69 2.206 -8.330 8.239 1.00 0.00 H new ATOM 0 HD3 PRO A 69 2.782 -9.573 9.331 1.00 0.00 H new ATOM 1061 N LEU A 70 3.728 -9.389 4.487 1.00 0.00 N ATOM 1062 CA LEU A 70 3.692 -8.645 3.239 1.00 0.00 C ATOM 1063 C LEU A 70 4.935 -8.981 2.414 1.00 0.00 C ATOM 1064 O LEU A 70 4.845 -9.186 1.204 1.00 0.00 O ATOM 1065 CB LEU A 70 3.520 -7.150 3.512 1.00 0.00 C ATOM 1066 CG LEU A 70 2.098 -6.685 3.834 1.00 0.00 C ATOM 1067 CD1 LEU A 70 1.106 -7.189 2.784 1.00 0.00 C ATOM 1068 CD2 LEU A 70 1.693 -7.099 5.250 1.00 0.00 C ATOM 0 H LEU A 70 4.648 -9.443 4.925 1.00 0.00 H new ATOM 0 HA LEU A 70 2.826 -8.938 2.645 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.168 -6.876 4.345 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.872 -6.599 2.640 1.00 0.00 H new ATOM 0 HG LEU A 70 2.079 -5.596 3.799 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.103 -6.845 3.036 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.386 -6.803 1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.121 -8.279 2.763 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.678 -6.756 5.453 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.734 -8.185 5.337 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.378 -6.651 5.970 1.00 0.00 H new ATOM 1080 N ASP A 71 6.067 -9.027 3.101 1.00 0.00 N ATOM 1081 CA ASP A 71 7.328 -9.335 2.446 1.00 0.00 C ATOM 1082 C ASP A 71 7.063 -10.232 1.236 1.00 0.00 C ATOM 1083 O ASP A 71 6.626 -11.372 1.387 1.00 0.00 O ATOM 1084 CB ASP A 71 8.271 -10.081 3.391 1.00 0.00 C ATOM 1085 CG ASP A 71 9.659 -10.378 2.818 1.00 0.00 C ATOM 1086 OD1 ASP A 71 9.901 -9.952 1.668 1.00 0.00 O ATOM 1087 OD2 ASP A 71 10.446 -11.023 3.544 1.00 0.00 O ATOM 0 H ASP A 71 6.138 -8.856 4.104 1.00 0.00 H new ATOM 0 HA ASP A 71 7.790 -8.395 2.144 1.00 0.00 H new ATOM 0 HB2 ASP A 71 8.388 -9.493 4.302 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.804 -11.023 3.678 1.00 0.00 H new ATOM 1092 N GLY A 72 7.339 -9.684 0.061 1.00 0.00 N ATOM 1093 CA GLY A 72 7.137 -10.421 -1.174 1.00 0.00 C ATOM 1094 C GLY A 72 5.702 -10.259 -1.681 1.00 0.00 C ATOM 1095 O GLY A 72 4.973 -11.240 -1.817 1.00 0.00 O ATOM 0 H GLY A 72 7.701 -8.738 -0.061 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.836 -10.067 -1.931 1.00 0.00 H new ATOM 0 HA3 GLY A 72 7.352 -11.477 -1.011 1.00 0.00 H new ATOM 1099 N GLU A 73 5.340 -9.012 -1.945 1.00 0.00 N ATOM 1100 CA GLU A 73 4.005 -8.708 -2.434 1.00 0.00 C ATOM 1101 C GLU A 73 3.956 -7.285 -2.993 1.00 0.00 C ATOM 1102 O GLU A 73 4.995 -6.681 -3.256 1.00 0.00 O ATOM 1103 CB GLU A 73 2.961 -8.901 -1.332 1.00 0.00 C ATOM 1104 CG GLU A 73 3.132 -7.857 -0.226 1.00 0.00 C ATOM 1105 CD GLU A 73 2.295 -6.609 -0.516 1.00 0.00 C ATOM 1106 OE1 GLU A 73 1.070 -6.682 -0.283 1.00 0.00 O ATOM 1107 OE2 GLU A 73 2.901 -5.612 -0.963 1.00 0.00 O ATOM 0 H GLU A 73 5.947 -8.201 -1.830 1.00 0.00 H new ATOM 0 HA GLU A 73 3.767 -9.402 -3.240 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.960 -8.825 -1.757 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.053 -9.902 -0.910 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.835 -8.284 0.732 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.183 -7.582 -0.140 1.00 0.00 H new ATOM 1114 N GLU A 74 2.738 -6.790 -3.158 1.00 0.00 N ATOM 1115 CA GLU A 74 2.540 -5.449 -3.681 1.00 0.00 C ATOM 1116 C GLU A 74 1.297 -4.813 -3.054 1.00 0.00 C ATOM 1117 O GLU A 74 0.250 -5.451 -2.959 1.00 0.00 O ATOM 1118 CB GLU A 74 2.437 -5.465 -5.207 1.00 0.00 C ATOM 1119 CG GLU A 74 3.797 -5.192 -5.852 1.00 0.00 C ATOM 1120 CD GLU A 74 3.866 -5.786 -7.260 1.00 0.00 C ATOM 1121 OE1 GLU A 74 3.207 -6.827 -7.470 1.00 0.00 O ATOM 1122 OE2 GLU A 74 4.575 -5.185 -8.095 1.00 0.00 O ATOM 0 H GLU A 74 1.879 -7.294 -2.939 1.00 0.00 H new ATOM 0 HA GLU A 74 3.407 -4.845 -3.415 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.061 -6.433 -5.539 1.00 0.00 H new ATOM 0 HB3 GLU A 74 1.718 -4.714 -5.534 1.00 0.00 H new ATOM 0 HG2 GLU A 74 3.972 -4.117 -5.898 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.588 -5.618 -5.235 1.00 0.00 H new ATOM 1129 N LEU A 75 1.455 -3.563 -2.643 1.00 0.00 N ATOM 1130 CA LEU A 75 0.359 -2.834 -2.028 1.00 0.00 C ATOM 1131 C LEU A 75 -0.029 -1.654 -2.922 1.00 0.00 C ATOM 1132 O LEU A 75 0.836 -0.913 -3.387 1.00 0.00 O ATOM 1133 CB LEU A 75 0.720 -2.429 -0.598 1.00 0.00 C ATOM 1134 CG LEU A 75 0.983 -3.577 0.379 1.00 0.00 C ATOM 1135 CD1 LEU A 75 2.218 -3.295 1.237 1.00 0.00 C ATOM 1136 CD2 LEU A 75 -0.253 -3.866 1.232 1.00 0.00 C ATOM 0 H LEU A 75 2.325 -3.037 -2.724 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.521 -3.472 -1.941 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.608 -1.798 -0.634 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.090 -1.818 -0.199 1.00 0.00 H new ATOM 0 HG LEU A 75 1.192 -4.477 -0.200 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.382 -4.126 1.923 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.090 -3.178 0.593 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.063 -2.379 1.808 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.038 -4.686 1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.517 -2.976 1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.085 -4.143 0.585 1.00 0.00 H new ATOM 1148 N ILE A 76 -1.329 -1.517 -3.136 1.00 0.00 N ATOM 1149 CA ILE A 76 -1.841 -0.440 -3.966 1.00 0.00 C ATOM 1150 C ILE A 76 -2.645 0.529 -3.097 1.00 0.00 C ATOM 1151 O ILE A 76 -3.727 0.190 -2.621 1.00 0.00 O ATOM 1152 CB ILE A 76 -2.630 -1.005 -5.149 1.00 0.00 C ATOM 1153 CG1 ILE A 76 -1.714 -1.777 -6.101 1.00 0.00 C ATOM 1154 CG2 ILE A 76 -3.404 0.101 -5.870 1.00 0.00 C ATOM 1155 CD1 ILE A 76 -2.528 -2.656 -7.053 1.00 0.00 C ATOM 0 H ILE A 76 -2.043 -2.134 -2.749 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.020 0.129 -4.402 1.00 0.00 H new ATOM 0 HB ILE A 76 -3.363 -1.713 -4.763 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.108 -1.077 -6.676 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.026 -2.397 -5.526 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -3.956 -0.327 -6.707 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -4.102 0.568 -5.176 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.706 0.851 -6.242 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.853 -3.194 -7.719 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.114 -3.371 -6.476 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -3.197 -2.030 -7.643 1.00 0.00 H new ATOM 1167 N VAL A 77 -2.085 1.716 -2.918 1.00 0.00 N ATOM 1168 CA VAL A 77 -2.736 2.737 -2.115 1.00 0.00 C ATOM 1169 C VAL A 77 -3.664 3.566 -3.006 1.00 0.00 C ATOM 1170 O VAL A 77 -3.270 3.995 -4.089 1.00 0.00 O ATOM 1171 CB VAL A 77 -1.686 3.585 -1.394 1.00 0.00 C ATOM 1172 CG1 VAL A 77 -2.348 4.663 -0.533 1.00 0.00 C ATOM 1173 CG2 VAL A 77 -0.756 2.707 -0.553 1.00 0.00 C ATOM 0 H VAL A 77 -1.188 1.994 -3.315 1.00 0.00 H new ATOM 0 HA VAL A 77 -3.352 2.279 -1.341 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.082 4.085 -2.151 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.579 5.251 -0.032 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -2.949 5.316 -1.166 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -2.988 4.191 0.213 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.019 3.334 -0.051 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.341 2.167 0.192 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.245 1.994 -1.200 1.00 0.00 H new ATOM 1183 N GLU A 78 -4.878 3.767 -2.516 1.00 0.00 N ATOM 1184 CA GLU A 78 -5.865 4.537 -3.254 1.00 0.00 C ATOM 1185 C GLU A 78 -6.677 5.413 -2.299 1.00 0.00 C ATOM 1186 O GLU A 78 -6.608 5.242 -1.083 1.00 0.00 O ATOM 1187 CB GLU A 78 -6.779 3.619 -4.068 1.00 0.00 C ATOM 1188 CG GLU A 78 -6.451 3.701 -5.560 1.00 0.00 C ATOM 1189 CD GLU A 78 -7.716 3.941 -6.387 1.00 0.00 C ATOM 1190 OE1 GLU A 78 -8.664 3.143 -6.219 1.00 0.00 O ATOM 1191 OE2 GLU A 78 -7.707 4.916 -7.169 1.00 0.00 O ATOM 0 H GLU A 78 -5.201 3.410 -1.617 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.341 5.187 -3.955 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -6.668 2.591 -3.724 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.820 3.899 -3.905 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.739 4.507 -5.736 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.972 2.777 -5.882 1.00 0.00 H new ATOM 1198 N VAL A 79 -7.429 6.333 -2.886 1.00 0.00 N ATOM 1199 CA VAL A 79 -8.254 7.237 -2.102 1.00 0.00 C ATOM 1200 C VAL A 79 -9.708 6.762 -2.147 1.00 0.00 C ATOM 1201 O VAL A 79 -10.237 6.473 -3.219 1.00 0.00 O ATOM 1202 CB VAL A 79 -8.078 8.672 -2.602 1.00 0.00 C ATOM 1203 CG1 VAL A 79 -8.983 9.636 -1.831 1.00 0.00 C ATOM 1204 CG2 VAL A 79 -6.614 9.107 -2.515 1.00 0.00 C ATOM 0 H VAL A 79 -7.484 6.472 -3.895 1.00 0.00 H new ATOM 0 HA VAL A 79 -7.942 7.230 -1.058 1.00 0.00 H new ATOM 0 HB VAL A 79 -8.374 8.700 -3.651 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -8.838 10.649 -2.206 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.024 9.344 -1.966 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.731 9.602 -0.771 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -6.517 10.131 -2.876 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.280 9.055 -1.479 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.001 8.446 -3.128 1.00 0.00 H new ATOM 1214 N LEU A 80 -10.312 6.696 -0.970 1.00 0.00 N ATOM 1215 CA LEU A 80 -11.695 6.262 -0.862 1.00 0.00 C ATOM 1216 C LEU A 80 -12.584 7.192 -1.690 1.00 0.00 C ATOM 1217 O LEU A 80 -12.397 8.407 -1.678 1.00 0.00 O ATOM 1218 CB LEU A 80 -12.111 6.160 0.607 1.00 0.00 C ATOM 1219 CG LEU A 80 -11.755 4.851 1.316 1.00 0.00 C ATOM 1220 CD1 LEU A 80 -12.187 4.888 2.783 1.00 0.00 C ATOM 1221 CD2 LEU A 80 -12.345 3.649 0.575 1.00 0.00 C ATOM 0 H LEU A 80 -9.870 6.936 -0.083 1.00 0.00 H new ATOM 0 HA LEU A 80 -11.813 5.259 -1.273 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -11.649 6.983 1.153 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -13.190 6.302 0.669 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.671 4.738 1.302 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -11.923 3.946 3.264 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -11.681 5.709 3.291 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -13.265 5.035 2.841 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -12.078 2.731 1.099 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -13.430 3.742 0.537 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -11.948 3.616 -0.440 1.00 0.00 H new ATOM 1233 N SER A 81 -13.532 6.585 -2.388 1.00 0.00 N ATOM 1234 CA SER A 81 -14.450 7.343 -3.220 1.00 0.00 C ATOM 1235 C SER A 81 -15.630 6.462 -3.635 1.00 0.00 C ATOM 1236 O SER A 81 -15.445 5.302 -4.000 1.00 0.00 O ATOM 1237 CB SER A 81 -13.742 7.899 -4.457 1.00 0.00 C ATOM 1238 OG SER A 81 -14.523 8.889 -5.120 1.00 0.00 O ATOM 0 H SER A 81 -13.684 5.576 -2.394 1.00 0.00 H new ATOM 0 HA SER A 81 -14.822 8.186 -2.638 1.00 0.00 H new ATOM 0 HB2 SER A 81 -12.784 8.329 -4.164 1.00 0.00 H new ATOM 0 HB3 SER A 81 -13.527 7.084 -5.148 1.00 0.00 H new ATOM 0 HG SER A 81 -14.035 9.220 -5.903 1.00 0.00 H new ATOM 1244 N GLY A 82 -16.817 7.046 -3.564 1.00 0.00 N ATOM 1245 CA GLY A 82 -18.027 6.328 -3.927 1.00 0.00 C ATOM 1246 C GLY A 82 -18.589 6.838 -5.256 1.00 0.00 C ATOM 1247 O GLY A 82 -19.221 7.892 -5.304 1.00 0.00 O ATOM 0 H GLY A 82 -16.967 8.008 -3.260 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -17.813 5.262 -4.004 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -18.774 6.447 -3.142 1.00 0.00 H new ATOM 1251 N PRO A 83 -18.330 6.045 -6.331 1.00 0.00 N ATOM 1252 CA PRO A 83 -18.803 6.405 -7.657 1.00 0.00 C ATOM 1253 C PRO A 83 -20.306 6.155 -7.790 1.00 0.00 C ATOM 1254 O PRO A 83 -20.738 5.392 -8.654 1.00 0.00 O ATOM 1255 CB PRO A 83 -17.973 5.562 -8.612 1.00 0.00 C ATOM 1256 CG PRO A 83 -17.397 4.430 -7.777 1.00 0.00 C ATOM 1257 CD PRO A 83 -17.584 4.790 -6.312 1.00 0.00 C ATOM 0 HA PRO A 83 -18.681 7.466 -7.874 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -18.587 5.174 -9.425 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -17.179 6.155 -9.067 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -17.901 3.491 -8.007 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -16.340 4.288 -8.003 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -18.131 4.012 -5.780 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -16.625 4.907 -5.807 1.00 0.00 H new ATOM 1265 N SER A 84 -21.062 6.811 -6.922 1.00 0.00 N ATOM 1266 CA SER A 84 -22.508 6.669 -6.932 1.00 0.00 C ATOM 1267 C SER A 84 -23.167 8.037 -7.117 1.00 0.00 C ATOM 1268 O SER A 84 -23.147 8.867 -6.209 1.00 0.00 O ATOM 1269 CB SER A 84 -23.006 6.009 -5.644 1.00 0.00 C ATOM 1270 OG SER A 84 -23.785 4.846 -5.907 1.00 0.00 O ATOM 0 H SER A 84 -20.700 7.442 -6.207 1.00 0.00 H new ATOM 0 HA SER A 84 -22.782 6.025 -7.767 1.00 0.00 H new ATOM 0 HB2 SER A 84 -22.153 5.741 -5.021 1.00 0.00 H new ATOM 0 HB3 SER A 84 -23.602 6.724 -5.077 1.00 0.00 H new ATOM 0 HG SER A 84 -24.082 4.453 -5.060 1.00 0.00 H new ATOM 1276 N SER A 85 -23.736 8.230 -8.298 1.00 0.00 N ATOM 1277 CA SER A 85 -24.399 9.484 -8.613 1.00 0.00 C ATOM 1278 C SER A 85 -23.390 10.633 -8.580 1.00 0.00 C ATOM 1279 O SER A 85 -22.784 10.902 -7.544 1.00 0.00 O ATOM 1280 CB SER A 85 -25.548 9.758 -7.640 1.00 0.00 C ATOM 1281 OG SER A 85 -26.694 8.962 -7.929 1.00 0.00 O ATOM 0 H SER A 85 -23.752 7.539 -9.048 1.00 0.00 H new ATOM 0 HA SER A 85 -24.818 9.407 -9.616 1.00 0.00 H new ATOM 0 HB2 SER A 85 -25.216 9.558 -6.621 1.00 0.00 H new ATOM 0 HB3 SER A 85 -25.818 10.813 -7.686 1.00 0.00 H new ATOM 0 HG SER A 85 -27.404 9.165 -7.285 1.00 0.00 H new ATOM 1287 N GLY A 86 -23.241 11.280 -9.727 1.00 0.00 N ATOM 1288 CA GLY A 86 -22.315 12.394 -9.842 1.00 0.00 C ATOM 1289 C GLY A 86 -20.869 11.926 -9.668 1.00 0.00 C ATOM 1290 O GLY A 86 -20.624 10.825 -9.178 1.00 0.00 O ATOM 0 H GLY A 86 -23.746 11.054 -10.584 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -22.432 12.870 -10.816 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -22.550 13.146 -9.089 1.00 0.00 H new TER 1294 GLY A 86