USER MOD reduce.3.24.130724 H: found=0, std=0, add=661, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 661 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 32 ASN : amide:sc= 0.178 K(o=0.84,f=-7.4!) USER MOD Set 1.2: A 41 THR OG1 : rot -156:sc= -0.41 USER MOD Set 1.3: A 44 LYS NZ :NH3+ -136:sc= 1.07 (180deg=-0.743) USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 LYS NZ :NH3+ 156:sc= 0.184 (180deg=-0.0312) USER MOD Single : A 11 THR OG1 : rot -45:sc= 0.668 USER MOD Single : A 13 SER OG : rot 180:sc= 0.00765 USER MOD Single : A 14 ASN : amide:sc= -0.277 X(o=-0.28,f=-0.18) USER MOD Single : A 19 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.093) USER MOD Single : A 20 ASN : amide:sc= -4.18 K(o=-4.2,f=-5.6!) USER MOD Single : A 22 ASN : amide:sc= -0.516 K(o=-0.52,f=-1.8) USER MOD Single : A 26 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.22) USER MOD Single : A 29 MET CE :methyl -165:sc= 0 (180deg=-0.113) USER MOD Single : A 33 THR OG1 : rot 97:sc= 1.08 USER MOD Single : A 35 ASN : amide:sc= -0.823 X(o=-0.82,f=-0.64) USER MOD Single : A 38 SER OG : rot 180:sc= -0.253 USER MOD Single : A 39 SER OG : rot 180:sc= -0.139 USER MOD Single : A 48 HIS : no HD1:sc= -2.72 X(o=-2.7,f=-2.9) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 59 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0314) USER MOD Single : A 60 SER OG : rot 180:sc= -0.841 USER MOD Single : A 61 SER OG : rot 78:sc= 1.29 USER MOD Single : A 62 SER OG : rot 180:sc= -0.257 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 130:sc= -0.516 USER MOD Single : A 67 MET CE :methyl -165:sc= -0.0894 (180deg=-0.415) USER MOD Single : A 69 SER OG : rot 86:sc= 0.527 USER MOD Single : A 70 MET CE :methyl 151:sc= -0.0266 (180deg=-0.258) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -139:sc= -0.0575 (180deg=-1.84!) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -1.11 K(o=-1.1,f=-1.8) USER MOD Single : A 80 THR OG1 : rot 44:sc= 0.0394 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -0.0498 X(o=-0.05,f=-0.056) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.00998) USER MOD Single : A 86 ASN : amide:sc= -1.02 K(o=-1,f=-1.8) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 6 1.673 1.271 -1.530 1.00 23.12 N ATOM 2 CA VAL A 6 2.291 1.402 -2.844 1.00 75.22 C ATOM 3 C VAL A 6 1.354 2.100 -3.824 1.00 4.52 C ATOM 4 O VAL A 6 1.767 2.998 -4.558 1.00 14.12 O ATOM 5 CB VAL A 6 2.684 0.028 -3.419 1.00 24.04 C ATOM 6 CG1 VAL A 6 3.979 -0.463 -2.789 1.00 43.23 C ATOM 7 CG2 VAL A 6 1.564 -0.979 -3.207 1.00 11.24 C ATOM 0 HA VAL A 6 3.190 2.004 -2.712 1.00 75.22 H new ATOM 0 HB VAL A 6 2.846 0.135 -4.491 1.00 24.04 H new ATOM 0 HG11 VAL A 6 4.241 -1.435 -3.207 1.00 43.23 H new ATOM 0 HG12 VAL A 6 4.778 0.249 -2.997 1.00 43.23 H new ATOM 0 HG13 VAL A 6 3.847 -0.555 -1.711 1.00 43.23 H new ATOM 0 HG21 VAL A 6 1.859 -1.944 -3.619 1.00 11.24 H new ATOM 0 HG22 VAL A 6 1.367 -1.085 -2.140 1.00 11.24 H new ATOM 0 HG23 VAL A 6 0.662 -0.631 -3.709 1.00 11.24 H new ATOM 17 N GLN A 7 0.093 1.682 -3.829 1.00 13.43 N ATOM 18 CA GLN A 7 -0.902 2.269 -4.719 1.00 33.31 C ATOM 19 C GLN A 7 -2.290 2.223 -4.089 1.00 14.43 C ATOM 20 O GLN A 7 -3.029 3.208 -4.118 1.00 44.23 O ATOM 21 CB GLN A 7 -0.914 1.533 -6.060 1.00 41.21 C ATOM 22 CG GLN A 7 0.472 1.313 -6.645 1.00 72.30 C ATOM 23 CD GLN A 7 0.441 0.519 -7.936 1.00 74.31 C ATOM 24 OE1 GLN A 7 0.407 -0.712 -7.921 1.00 23.12 O ATOM 25 NE2 GLN A 7 0.451 1.220 -9.063 1.00 42.44 N ATOM 0 H GLN A 7 -0.264 0.940 -3.227 1.00 13.43 H new ATOM 0 HA GLN A 7 -0.633 3.312 -4.887 1.00 33.31 H new ATOM 0 HB2 GLN A 7 -1.402 0.567 -5.931 1.00 41.21 H new ATOM 0 HB3 GLN A 7 -1.514 2.101 -6.771 1.00 41.21 H new ATOM 0 HG2 GLN A 7 0.942 2.279 -6.828 1.00 72.30 H new ATOM 0 HG3 GLN A 7 1.091 0.790 -5.916 1.00 72.30 H new ATOM 0 HE21 GLN A 7 0.480 2.239 -9.030 1.00 42.44 H new ATOM 0 HE22 GLN A 7 0.430 0.740 -9.963 1.00 42.44 H new ATOM 34 N ASP A 8 -2.639 1.075 -3.520 1.00 31.23 N ATOM 35 CA ASP A 8 -3.939 0.901 -2.881 1.00 42.35 C ATOM 36 C ASP A 8 -3.777 0.498 -1.419 1.00 64.12 C ATOM 37 O ASP A 8 -4.642 0.773 -0.588 1.00 51.30 O ATOM 38 CB ASP A 8 -4.760 -0.153 -3.626 1.00 42.41 C ATOM 39 CG ASP A 8 -4.644 -0.019 -5.132 1.00 14.12 C ATOM 40 OD1 ASP A 8 -4.799 1.111 -5.641 1.00 51.11 O ATOM 41 OD2 ASP A 8 -4.398 -1.044 -5.801 1.00 15.01 O ATOM 0 H ASP A 8 -2.040 0.250 -3.488 1.00 31.23 H new ATOM 0 HA ASP A 8 -4.466 1.855 -2.919 1.00 42.35 H new ATOM 0 HB2 ASP A 8 -4.428 -1.147 -3.326 1.00 42.41 H new ATOM 0 HB3 ASP A 8 -5.807 -0.066 -3.336 1.00 42.41 H new ATOM 46 N LYS A 9 -2.662 -0.157 -1.112 1.00 34.53 N ATOM 47 CA LYS A 9 -2.385 -0.600 0.250 1.00 52.52 C ATOM 48 C LYS A 9 -1.889 0.560 1.108 1.00 63.22 C ATOM 49 O LYS A 9 -2.078 0.570 2.324 1.00 32.22 O ATOM 50 CB LYS A 9 -1.346 -1.723 0.242 1.00 73.25 C ATOM 51 CG LYS A 9 -0.755 -2.015 1.610 1.00 44.42 C ATOM 52 CD LYS A 9 0.612 -1.371 1.775 1.00 61.53 C ATOM 53 CE LYS A 9 1.720 -2.414 1.793 1.00 11.40 C ATOM 54 NZ LYS A 9 1.771 -3.191 0.524 1.00 31.31 N ATOM 0 H LYS A 9 -1.935 -0.393 -1.788 1.00 34.53 H new ATOM 0 HA LYS A 9 -3.314 -0.976 0.679 1.00 52.52 H new ATOM 0 HB2 LYS A 9 -1.808 -2.631 -0.146 1.00 73.25 H new ATOM 0 HB3 LYS A 9 -0.541 -1.457 -0.443 1.00 73.25 H new ATOM 0 HG2 LYS A 9 -1.428 -1.647 2.384 1.00 44.42 H new ATOM 0 HG3 LYS A 9 -0.670 -3.093 1.748 1.00 44.42 H new ATOM 0 HD2 LYS A 9 0.785 -0.668 0.960 1.00 61.53 H new ATOM 0 HD3 LYS A 9 0.636 -0.797 2.701 1.00 61.53 H new ATOM 0 HE2 LYS A 9 2.679 -1.922 1.956 1.00 11.40 H new ATOM 0 HE3 LYS A 9 1.564 -3.095 2.630 1.00 11.40 H new ATOM 0 HZ1 LYS A 9 2.727 -3.579 0.393 1.00 31.31 H new ATOM 0 HZ2 LYS A 9 1.084 -3.970 0.566 1.00 31.31 H new ATOM 0 HZ3 LYS A 9 1.538 -2.567 -0.275 1.00 31.31 H new ATOM 68 N ASP A 10 -1.254 1.535 0.467 1.00 53.05 N ATOM 69 CA ASP A 10 -0.733 2.701 1.171 1.00 70.40 C ATOM 70 C ASP A 10 -1.811 3.768 1.327 1.00 13.40 C ATOM 71 O ASP A 10 -1.712 4.647 2.184 1.00 24.03 O ATOM 72 CB ASP A 10 0.470 3.279 0.424 1.00 21.51 C ATOM 73 CG ASP A 10 0.856 4.656 0.926 1.00 23.24 C ATOM 74 OD1 ASP A 10 1.409 4.747 2.043 1.00 52.31 O ATOM 75 OD2 ASP A 10 0.607 5.642 0.203 1.00 51.33 O ATOM 0 H ASP A 10 -1.088 1.541 -0.539 1.00 53.05 H new ATOM 0 HA ASP A 10 -0.416 2.383 2.164 1.00 70.40 H new ATOM 0 HB2 ASP A 10 1.319 2.605 0.532 1.00 21.51 H new ATOM 0 HB3 ASP A 10 0.241 3.334 -0.640 1.00 21.51 H new ATOM 80 N THR A 11 -2.843 3.688 0.492 1.00 64.52 N ATOM 81 CA THR A 11 -3.938 4.647 0.535 1.00 13.52 C ATOM 82 C THR A 11 -5.197 4.019 1.123 1.00 42.24 C ATOM 83 O THR A 11 -6.312 4.466 0.849 1.00 22.41 O ATOM 84 CB THR A 11 -4.259 5.197 -0.867 1.00 54.25 C ATOM 85 OG1 THR A 11 -5.162 6.304 -0.765 1.00 73.11 O ATOM 86 CG2 THR A 11 -4.872 4.116 -1.745 1.00 43.13 C ATOM 0 H THR A 11 -2.942 2.967 -0.223 1.00 64.52 H new ATOM 0 HA THR A 11 -3.613 5.468 1.174 1.00 13.52 H new ATOM 0 HB THR A 11 -3.327 5.530 -1.324 1.00 54.25 H new ATOM 0 HG1 THR A 11 -5.882 6.082 -0.139 1.00 73.11 H new ATOM 0 HG21 THR A 11 -5.090 4.528 -2.730 1.00 43.13 H new ATOM 0 HG22 THR A 11 -4.171 3.288 -1.845 1.00 43.13 H new ATOM 0 HG23 THR A 11 -5.795 3.757 -1.289 1.00 43.13 H new ATOM 94 N LEU A 12 -5.012 2.982 1.931 1.00 31.35 N ATOM 95 CA LEU A 12 -6.134 2.292 2.559 1.00 22.22 C ATOM 96 C LEU A 12 -6.914 3.236 3.468 1.00 55.13 C ATOM 97 O LEU A 12 -6.334 4.086 4.142 1.00 45.51 O ATOM 98 CB LEU A 12 -5.634 1.090 3.363 1.00 43.03 C ATOM 99 CG LEU A 12 -5.120 -0.097 2.546 1.00 15.43 C ATOM 100 CD1 LEU A 12 -4.579 -1.182 3.464 1.00 12.20 C ATOM 101 CD2 LEU A 12 -6.225 -0.650 1.657 1.00 44.51 C ATOM 0 H LEU A 12 -4.096 2.600 2.167 1.00 31.35 H new ATOM 0 HA LEU A 12 -6.801 1.943 1.770 1.00 22.22 H new ATOM 0 HB2 LEU A 12 -4.833 1.426 4.021 1.00 43.03 H new ATOM 0 HB3 LEU A 12 -6.446 0.742 4.001 1.00 43.03 H new ATOM 0 HG LEU A 12 -4.307 0.250 1.908 1.00 15.43 H new ATOM 0 HD11 LEU A 12 -4.218 -2.018 2.865 1.00 12.20 H new ATOM 0 HD12 LEU A 12 -3.758 -0.780 4.058 1.00 12.20 H new ATOM 0 HD13 LEU A 12 -5.372 -1.526 4.127 1.00 12.20 H new ATOM 0 HD21 LEU A 12 -5.842 -1.494 1.083 1.00 44.51 H new ATOM 0 HD22 LEU A 12 -7.059 -0.981 2.276 1.00 44.51 H new ATOM 0 HD23 LEU A 12 -6.567 0.128 0.974 1.00 44.51 H new ATOM 113 N SER A 13 -8.234 3.079 3.482 1.00 73.11 N ATOM 114 CA SER A 13 -9.095 3.919 4.307 1.00 72.44 C ATOM 115 C SER A 13 -9.496 3.193 5.587 1.00 34.22 C ATOM 116 O SER A 13 -9.205 2.010 5.760 1.00 13.24 O ATOM 117 CB SER A 13 -10.346 4.326 3.525 1.00 4.50 C ATOM 118 OG SER A 13 -10.271 3.889 2.179 1.00 31.12 O ATOM 0 H SER A 13 -8.730 2.378 2.932 1.00 73.11 H new ATOM 0 HA SER A 13 -8.536 4.815 4.578 1.00 72.44 H new ATOM 0 HB2 SER A 13 -11.230 3.900 4.000 1.00 4.50 H new ATOM 0 HB3 SER A 13 -10.460 5.410 3.553 1.00 4.50 H new ATOM 0 HG SER A 13 -11.083 4.160 1.701 1.00 31.12 H new ATOM 124 N ASN A 14 -10.167 3.911 6.482 1.00 41.51 N ATOM 125 CA ASN A 14 -10.608 3.337 7.748 1.00 52.32 C ATOM 126 C ASN A 14 -11.810 2.421 7.540 1.00 70.33 C ATOM 127 O ASN A 14 -12.083 1.543 8.358 1.00 62.33 O ATOM 128 CB ASN A 14 -10.965 4.447 8.738 1.00 2.45 C ATOM 129 CG ASN A 14 -11.939 5.452 8.155 1.00 75.01 C ATOM 130 OD1 ASN A 14 -13.149 5.225 8.143 1.00 74.22 O ATOM 131 ND2 ASN A 14 -11.415 6.570 7.667 1.00 11.32 N ATOM 0 H ASN A 14 -10.417 4.891 6.354 1.00 41.51 H new ATOM 0 HA ASN A 14 -9.788 2.745 8.155 1.00 52.32 H new ATOM 0 HB2 ASN A 14 -11.398 4.004 9.635 1.00 2.45 H new ATOM 0 HB3 ASN A 14 -10.055 4.963 9.044 1.00 2.45 H new ATOM 0 HD21 ASN A 14 -12.021 7.283 7.261 1.00 11.32 H new ATOM 0 HD22 ASN A 14 -10.406 6.716 7.698 1.00 11.32 H new ATOM 138 N ALA A 15 -12.524 2.632 6.439 1.00 35.51 N ATOM 139 CA ALA A 15 -13.695 1.823 6.122 1.00 51.22 C ATOM 140 C ALA A 15 -13.339 0.342 6.062 1.00 34.51 C ATOM 141 O ALA A 15 -13.968 -0.484 6.723 1.00 15.33 O ATOM 142 CB ALA A 15 -14.307 2.275 4.804 1.00 62.42 C ATOM 0 H ALA A 15 -12.312 3.356 5.752 1.00 35.51 H new ATOM 0 HA ALA A 15 -14.428 1.961 6.917 1.00 51.22 H new ATOM 0 HB1 ALA A 15 -15.180 1.663 4.579 1.00 62.42 H new ATOM 0 HB2 ALA A 15 -14.607 3.320 4.882 1.00 62.42 H new ATOM 0 HB3 ALA A 15 -13.573 2.166 4.006 1.00 62.42 H new ATOM 148 N GLU A 16 -12.328 0.012 5.265 1.00 42.11 N ATOM 149 CA GLU A 16 -11.891 -1.371 5.119 1.00 65.23 C ATOM 150 C GLU A 16 -11.560 -1.984 6.477 1.00 53.13 C ATOM 151 O GLU A 16 -11.700 -3.191 6.675 1.00 3.14 O ATOM 152 CB GLU A 16 -10.668 -1.449 4.201 1.00 15.12 C ATOM 153 CG GLU A 16 -10.881 -0.791 2.848 1.00 25.00 C ATOM 154 CD GLU A 16 -9.685 -0.949 1.929 1.00 60.02 C ATOM 155 OE1 GLU A 16 -9.364 -2.099 1.564 1.00 72.30 O ATOM 156 OE2 GLU A 16 -9.070 0.079 1.574 1.00 33.31 O ATOM 0 H GLU A 16 -11.796 0.683 4.711 1.00 42.11 H new ATOM 0 HA GLU A 16 -12.708 -1.938 4.673 1.00 65.23 H new ATOM 0 HB2 GLU A 16 -9.821 -0.975 4.697 1.00 15.12 H new ATOM 0 HB3 GLU A 16 -10.404 -2.496 4.049 1.00 15.12 H new ATOM 0 HG2 GLU A 16 -11.761 -1.224 2.372 1.00 25.00 H new ATOM 0 HG3 GLU A 16 -11.086 0.270 2.992 1.00 25.00 H new ATOM 163 N ARG A 17 -11.122 -1.143 7.408 1.00 64.13 N ATOM 164 CA ARG A 17 -10.770 -1.601 8.746 1.00 24.22 C ATOM 165 C ARG A 17 -12.014 -2.030 9.519 1.00 64.44 C ATOM 166 O ARG A 17 -12.062 -3.125 10.078 1.00 61.51 O ATOM 167 CB ARG A 17 -10.038 -0.496 9.510 1.00 23.44 C ATOM 168 CG ARG A 17 -9.022 0.257 8.667 1.00 2.15 C ATOM 169 CD ARG A 17 -8.202 1.221 9.512 1.00 74.43 C ATOM 170 NE ARG A 17 -9.044 2.039 10.381 1.00 60.50 N ATOM 171 CZ ARG A 17 -8.575 2.751 11.400 1.00 71.35 C ATOM 172 NH1 ARG A 17 -7.278 2.746 11.675 1.00 71.32 N ATOM 173 NH2 ARG A 17 -9.404 3.470 12.145 1.00 51.31 N ATOM 0 H ARG A 17 -11.003 -0.141 7.260 1.00 64.13 H new ATOM 0 HA ARG A 17 -10.110 -2.463 8.646 1.00 24.22 H new ATOM 0 HB2 ARG A 17 -10.770 0.211 9.899 1.00 23.44 H new ATOM 0 HB3 ARG A 17 -9.531 -0.935 10.369 1.00 23.44 H new ATOM 0 HG2 ARG A 17 -8.357 -0.453 8.175 1.00 2.15 H new ATOM 0 HG3 ARG A 17 -9.537 0.808 7.881 1.00 2.15 H new ATOM 0 HD2 ARG A 17 -7.493 0.658 10.119 1.00 74.43 H new ATOM 0 HD3 ARG A 17 -7.618 1.869 8.859 1.00 74.43 H new ATOM 0 HE ARG A 17 -10.047 2.065 10.195 1.00 60.50 H new ATOM 0 HH11 ARG A 17 -6.638 2.195 11.104 1.00 71.32 H new ATOM 0 HH12 ARG A 17 -6.921 3.294 12.458 1.00 71.32 H new ATOM 0 HH21 ARG A 17 -10.402 3.477 11.936 1.00 51.31 H new ATOM 0 HH22 ARG A 17 -9.043 4.016 12.927 1.00 51.31 H new ATOM 187 N ALA A 18 -13.017 -1.160 9.545 1.00 52.40 N ATOM 188 CA ALA A 18 -14.261 -1.449 10.247 1.00 14.10 C ATOM 189 C ALA A 18 -14.976 -2.645 9.627 1.00 11.13 C ATOM 190 O ALA A 18 -15.581 -3.454 10.332 1.00 44.22 O ATOM 191 CB ALA A 18 -15.168 -0.227 10.239 1.00 74.32 C ATOM 0 H ALA A 18 -12.993 -0.249 9.088 1.00 52.40 H new ATOM 0 HA ALA A 18 -14.017 -1.700 11.279 1.00 14.10 H new ATOM 0 HB1 ALA A 18 -16.093 -0.457 10.767 1.00 74.32 H new ATOM 0 HB2 ALA A 18 -14.665 0.603 10.735 1.00 74.32 H new ATOM 0 HB3 ALA A 18 -15.397 0.050 9.210 1.00 74.32 H new ATOM 197 N LYS A 19 -14.904 -2.751 8.305 1.00 62.31 N ATOM 198 CA LYS A 19 -15.543 -3.849 7.589 1.00 52.20 C ATOM 199 C LYS A 19 -14.763 -5.147 7.774 1.00 13.40 C ATOM 200 O LYS A 19 -15.346 -6.202 8.020 1.00 1.23 O ATOM 201 CB LYS A 19 -15.655 -3.517 6.099 1.00 11.33 C ATOM 202 CG LYS A 19 -15.832 -4.739 5.215 1.00 30.02 C ATOM 203 CD LYS A 19 -16.754 -4.450 4.042 1.00 23.22 C ATOM 204 CE LYS A 19 -15.978 -3.947 2.835 1.00 50.24 C ATOM 205 NZ LYS A 19 -15.614 -2.509 2.969 1.00 23.13 N ATOM 0 H LYS A 19 -14.409 -2.089 7.707 1.00 62.31 H new ATOM 0 HA LYS A 19 -16.543 -3.985 8.001 1.00 52.20 H new ATOM 0 HB2 LYS A 19 -16.499 -2.844 5.948 1.00 11.33 H new ATOM 0 HB3 LYS A 19 -14.759 -2.980 5.787 1.00 11.33 H new ATOM 0 HG2 LYS A 19 -14.860 -5.064 4.844 1.00 30.02 H new ATOM 0 HG3 LYS A 19 -16.239 -5.560 5.805 1.00 30.02 H new ATOM 0 HD2 LYS A 19 -17.299 -5.355 3.774 1.00 23.22 H new ATOM 0 HD3 LYS A 19 -17.495 -3.707 4.335 1.00 23.22 H new ATOM 0 HE2 LYS A 19 -15.072 -4.541 2.712 1.00 50.24 H new ATOM 0 HE3 LYS A 19 -16.576 -4.088 1.935 1.00 50.24 H new ATOM 0 HZ1 LYS A 19 -15.255 -2.156 2.059 1.00 23.13 H new ATOM 0 HZ2 LYS A 19 -16.455 -1.962 3.245 1.00 23.13 H new ATOM 0 HZ3 LYS A 19 -14.878 -2.404 3.696 1.00 23.13 H new ATOM 219 N ASN A 20 -13.442 -5.060 7.655 1.00 74.11 N ATOM 220 CA ASN A 20 -12.583 -6.228 7.810 1.00 21.12 C ATOM 221 C ASN A 20 -12.839 -6.918 9.146 1.00 33.44 C ATOM 222 O ASN A 20 -13.022 -8.134 9.204 1.00 32.43 O ATOM 223 CB ASN A 20 -11.111 -5.822 7.707 1.00 14.45 C ATOM 224 CG ASN A 20 -10.181 -6.864 8.298 1.00 52.33 C ATOM 225 OD1 ASN A 20 -9.623 -6.673 9.378 1.00 2.22 O ATOM 226 ND2 ASN A 20 -10.010 -7.973 7.589 1.00 72.44 N ATOM 0 H ASN A 20 -12.944 -4.194 7.452 1.00 74.11 H new ATOM 0 HA ASN A 20 -12.817 -6.929 7.008 1.00 21.12 H new ATOM 0 HB2 ASN A 20 -10.854 -5.661 6.660 1.00 14.45 H new ATOM 0 HB3 ASN A 20 -10.962 -4.873 8.221 1.00 14.45 H new ATOM 0 HD21 ASN A 20 -9.395 -8.710 7.935 1.00 72.44 H new ATOM 0 HD22 ASN A 20 -10.493 -8.088 6.698 1.00 72.44 H new ATOM 233 N VAL A 21 -12.852 -6.133 10.219 1.00 23.41 N ATOM 234 CA VAL A 21 -13.087 -6.668 11.555 1.00 54.01 C ATOM 235 C VAL A 21 -14.537 -7.108 11.723 1.00 55.40 C ATOM 236 O VAL A 21 -14.818 -8.129 12.348 1.00 74.21 O ATOM 237 CB VAL A 21 -12.747 -5.631 12.642 1.00 34.43 C ATOM 238 CG1 VAL A 21 -13.173 -6.136 14.013 1.00 53.33 C ATOM 239 CG2 VAL A 21 -11.261 -5.307 12.623 1.00 72.24 C ATOM 0 H VAL A 21 -12.703 -5.124 10.189 1.00 23.41 H new ATOM 0 HA VAL A 21 -12.433 -7.532 11.670 1.00 54.01 H new ATOM 0 HB VAL A 21 -13.298 -4.715 12.431 1.00 34.43 H new ATOM 0 HG11 VAL A 21 -12.925 -5.391 14.769 1.00 53.33 H new ATOM 0 HG12 VAL A 21 -14.248 -6.313 14.017 1.00 53.33 H new ATOM 0 HG13 VAL A 21 -12.651 -7.066 14.236 1.00 53.33 H new ATOM 0 HG21 VAL A 21 -11.039 -4.573 13.397 1.00 72.24 H new ATOM 0 HG22 VAL A 21 -10.688 -6.215 12.809 1.00 72.24 H new ATOM 0 HG23 VAL A 21 -10.990 -4.900 11.649 1.00 72.24 H new ATOM 249 N ASN A 22 -15.455 -6.328 11.160 1.00 73.41 N ATOM 250 CA ASN A 22 -16.878 -6.637 11.247 1.00 21.33 C ATOM 251 C ASN A 22 -17.178 -7.998 10.626 1.00 33.00 C ATOM 252 O ASN A 22 -17.890 -8.815 11.209 1.00 54.33 O ATOM 253 CB ASN A 22 -17.700 -5.553 10.549 1.00 15.50 C ATOM 254 CG ASN A 22 -18.064 -4.413 11.481 1.00 34.02 C ATOM 255 OD1 ASN A 22 -17.564 -4.330 12.603 1.00 42.12 O ATOM 256 ND2 ASN A 22 -18.941 -3.528 11.020 1.00 65.23 N ATOM 0 H ASN A 22 -15.239 -5.478 10.639 1.00 73.41 H new ATOM 0 HA ASN A 22 -17.153 -6.670 12.301 1.00 21.33 H new ATOM 0 HB2 ASN A 22 -17.135 -5.161 9.703 1.00 15.50 H new ATOM 0 HB3 ASN A 22 -18.612 -5.995 10.146 1.00 15.50 H new ATOM 0 HD21 ASN A 22 -19.225 -2.741 11.603 1.00 65.23 H new ATOM 0 HD22 ASN A 22 -19.330 -3.636 10.083 1.00 65.23 H new ATOM 263 N GLY A 23 -16.629 -8.235 9.438 1.00 11.34 N ATOM 264 CA GLY A 23 -16.849 -9.497 8.758 1.00 71.33 C ATOM 265 C GLY A 23 -16.164 -10.658 9.452 1.00 14.54 C ATOM 266 O GLY A 23 -16.730 -11.746 9.564 1.00 53.14 O ATOM 0 H GLY A 23 -16.036 -7.575 8.935 1.00 11.34 H new ATOM 0 HA2 GLY A 23 -17.920 -9.693 8.700 1.00 71.33 H new ATOM 0 HA3 GLY A 23 -16.483 -9.423 7.734 1.00 71.33 H new ATOM 270 N LEU A 24 -14.942 -10.427 9.920 1.00 75.22 N ATOM 271 CA LEU A 24 -14.178 -11.463 10.606 1.00 11.23 C ATOM 272 C LEU A 24 -14.811 -11.805 11.951 1.00 23.24 C ATOM 273 O LEU A 24 -14.821 -12.965 12.368 1.00 52.55 O ATOM 274 CB LEU A 24 -12.733 -11.006 10.811 1.00 24.22 C ATOM 275 CG LEU A 24 -11.857 -10.966 9.558 1.00 33.01 C ATOM 276 CD1 LEU A 24 -10.576 -10.193 9.827 1.00 43.44 C ATOM 277 CD2 LEU A 24 -11.541 -12.377 9.083 1.00 54.32 C ATOM 0 H LEU A 24 -14.460 -9.532 9.837 1.00 75.22 H new ATOM 0 HA LEU A 24 -14.185 -12.358 9.984 1.00 11.23 H new ATOM 0 HB2 LEU A 24 -12.747 -10.009 11.252 1.00 24.22 H new ATOM 0 HB3 LEU A 24 -12.263 -11.669 11.537 1.00 24.22 H new ATOM 0 HG LEU A 24 -12.408 -10.453 8.769 1.00 33.01 H new ATOM 0 HD11 LEU A 24 -9.965 -10.175 8.924 1.00 43.44 H new ATOM 0 HD12 LEU A 24 -10.822 -9.172 10.119 1.00 43.44 H new ATOM 0 HD13 LEU A 24 -10.021 -10.677 10.631 1.00 43.44 H new ATOM 0 HD21 LEU A 24 -10.917 -12.329 8.191 1.00 54.32 H new ATOM 0 HD22 LEU A 24 -11.010 -12.915 9.869 1.00 54.32 H new ATOM 0 HD23 LEU A 24 -12.469 -12.899 8.849 1.00 54.32 H new ATOM 289 N LEU A 25 -15.339 -10.790 12.626 1.00 32.31 N ATOM 290 CA LEU A 25 -15.977 -10.984 13.924 1.00 43.41 C ATOM 291 C LEU A 25 -17.237 -11.832 13.790 1.00 32.14 C ATOM 292 O LEU A 25 -17.392 -12.842 14.476 1.00 24.31 O ATOM 293 CB LEU A 25 -16.322 -9.632 14.551 1.00 52.21 C ATOM 294 CG LEU A 25 -17.084 -9.681 15.876 1.00 63.41 C ATOM 295 CD1 LEU A 25 -16.242 -9.094 16.998 1.00 42.32 C ATOM 296 CD2 LEU A 25 -18.409 -8.942 15.758 1.00 63.44 C ATOM 0 H LEU A 25 -15.338 -9.825 12.297 1.00 32.31 H new ATOM 0 HA LEU A 25 -15.275 -11.510 14.572 1.00 43.41 H new ATOM 0 HB2 LEU A 25 -15.395 -9.080 14.708 1.00 52.21 H new ATOM 0 HB3 LEU A 25 -16.915 -9.063 13.835 1.00 52.21 H new ATOM 0 HG LEU A 25 -17.293 -10.724 16.114 1.00 63.41 H new ATOM 0 HD11 LEU A 25 -16.801 -9.137 17.933 1.00 42.32 H new ATOM 0 HD12 LEU A 25 -15.320 -9.667 17.099 1.00 42.32 H new ATOM 0 HD13 LEU A 25 -16.001 -8.056 16.767 1.00 42.32 H new ATOM 0 HD21 LEU A 25 -18.937 -8.988 16.710 1.00 63.44 H new ATOM 0 HD22 LEU A 25 -18.223 -7.901 15.496 1.00 63.44 H new ATOM 0 HD23 LEU A 25 -19.018 -9.408 14.983 1.00 63.44 H new ATOM 308 N GLN A 26 -18.134 -11.415 12.902 1.00 24.21 N ATOM 309 CA GLN A 26 -19.380 -12.138 12.678 1.00 63.40 C ATOM 310 C GLN A 26 -19.106 -13.586 12.285 1.00 23.41 C ATOM 311 O GLN A 26 -19.830 -14.497 12.686 1.00 35.21 O ATOM 312 CB GLN A 26 -20.205 -11.450 11.590 1.00 51.33 C ATOM 313 CG GLN A 26 -19.998 -12.039 10.204 1.00 25.20 C ATOM 314 CD GLN A 26 -20.676 -11.229 9.117 1.00 3.53 C ATOM 315 OE1 GLN A 26 -20.081 -10.943 8.077 1.00 35.22 O ATOM 316 NE2 GLN A 26 -21.927 -10.853 9.353 1.00 53.53 N ATOM 0 H GLN A 26 -18.021 -10.581 12.326 1.00 24.21 H new ATOM 0 HA GLN A 26 -19.945 -12.134 13.610 1.00 63.40 H new ATOM 0 HB2 GLN A 26 -21.261 -11.517 11.850 1.00 51.33 H new ATOM 0 HB3 GLN A 26 -19.949 -10.391 11.567 1.00 51.33 H new ATOM 0 HG2 GLN A 26 -18.930 -12.098 9.995 1.00 25.20 H new ATOM 0 HG3 GLN A 26 -20.383 -13.058 10.186 1.00 25.20 H new ATOM 0 HE21 GLN A 26 -22.381 -11.112 10.229 1.00 53.53 H new ATOM 0 HE22 GLN A 26 -22.434 -10.305 8.659 1.00 53.53 H new ATOM 325 N VAL A 27 -18.055 -13.792 11.498 1.00 43.04 N ATOM 326 CA VAL A 27 -17.684 -15.129 11.051 1.00 73.53 C ATOM 327 C VAL A 27 -17.036 -15.925 12.178 1.00 65.44 C ATOM 328 O VAL A 27 -17.535 -16.978 12.576 1.00 30.34 O ATOM 329 CB VAL A 27 -16.717 -15.073 9.854 1.00 63.44 C ATOM 330 CG1 VAL A 27 -16.001 -16.405 9.682 1.00 11.43 C ATOM 331 CG2 VAL A 27 -17.463 -14.692 8.584 1.00 64.43 C ATOM 0 H VAL A 27 -17.445 -13.049 11.157 1.00 43.04 H new ATOM 0 HA VAL A 27 -18.604 -15.626 10.742 1.00 73.53 H new ATOM 0 HB VAL A 27 -15.967 -14.307 10.051 1.00 63.44 H new ATOM 0 HG11 VAL A 27 -15.322 -16.346 8.831 1.00 11.43 H new ATOM 0 HG12 VAL A 27 -15.433 -16.632 10.584 1.00 11.43 H new ATOM 0 HG13 VAL A 27 -16.734 -17.192 9.507 1.00 11.43 H new ATOM 0 HG21 VAL A 27 -16.764 -14.657 7.748 1.00 64.43 H new ATOM 0 HG22 VAL A 27 -18.236 -15.433 8.380 1.00 64.43 H new ATOM 0 HG23 VAL A 27 -17.924 -13.713 8.713 1.00 64.43 H new ATOM 341 N LEU A 28 -15.920 -15.416 12.688 1.00 0.30 N ATOM 342 CA LEU A 28 -15.202 -16.079 13.771 1.00 44.41 C ATOM 343 C LEU A 28 -16.136 -16.383 14.938 1.00 45.11 C ATOM 344 O LEU A 28 -16.120 -17.484 15.487 1.00 4.14 O ATOM 345 CB LEU A 28 -14.039 -15.206 14.247 1.00 11.14 C ATOM 346 CG LEU A 28 -12.721 -15.371 13.490 1.00 73.03 C ATOM 347 CD1 LEU A 28 -11.936 -16.553 14.036 1.00 2.02 C ATOM 348 CD2 LEU A 28 -12.981 -15.544 12.000 1.00 4.51 C ATOM 0 H LEU A 28 -15.493 -14.546 12.369 1.00 0.30 H new ATOM 0 HA LEU A 28 -14.809 -17.022 13.390 1.00 44.41 H new ATOM 0 HB2 LEU A 28 -14.344 -14.162 14.181 1.00 11.14 H new ATOM 0 HB3 LEU A 28 -13.859 -15.419 15.301 1.00 11.14 H new ATOM 0 HG LEU A 28 -12.126 -14.469 13.633 1.00 73.03 H new ATOM 0 HD11 LEU A 28 -11.001 -16.655 13.485 1.00 2.02 H new ATOM 0 HD12 LEU A 28 -11.719 -16.389 15.092 1.00 2.02 H new ATOM 0 HD13 LEU A 28 -12.524 -17.464 13.924 1.00 2.02 H new ATOM 0 HD21 LEU A 28 -12.032 -15.660 11.476 1.00 4.51 H new ATOM 0 HD22 LEU A 28 -13.596 -16.430 11.838 1.00 4.51 H new ATOM 0 HD23 LEU A 28 -13.502 -14.666 11.617 1.00 4.51 H new ATOM 360 N MET A 29 -16.950 -15.400 15.309 1.00 24.33 N ATOM 361 CA MET A 29 -17.893 -15.565 16.409 1.00 53.31 C ATOM 362 C MET A 29 -18.937 -16.626 16.075 1.00 12.23 C ATOM 363 O MET A 29 -19.434 -17.322 16.961 1.00 4.33 O ATOM 364 CB MET A 29 -18.583 -14.235 16.721 1.00 45.01 C ATOM 365 CG MET A 29 -19.764 -13.935 15.813 1.00 34.42 C ATOM 366 SD MET A 29 -20.622 -12.416 16.268 1.00 42.20 S ATOM 367 CE MET A 29 -22.170 -12.625 15.391 1.00 23.14 C ATOM 0 H MET A 29 -16.976 -14.482 14.865 1.00 24.33 H new ATOM 0 HA MET A 29 -17.336 -15.892 17.287 1.00 53.31 H new ATOM 0 HB2 MET A 29 -18.925 -14.247 17.756 1.00 45.01 H new ATOM 0 HB3 MET A 29 -17.855 -13.428 16.635 1.00 45.01 H new ATOM 0 HG2 MET A 29 -19.415 -13.856 14.783 1.00 34.42 H new ATOM 0 HG3 MET A 29 -20.466 -14.768 15.849 1.00 34.42 H new ATOM 0 HE1 MET A 29 -22.696 -11.671 15.349 1.00 23.14 H new ATOM 0 HE2 MET A 29 -21.970 -12.974 14.378 1.00 23.14 H new ATOM 0 HE3 MET A 29 -22.787 -13.357 15.911 1.00 23.14 H new ATOM 377 N ASP A 30 -19.266 -16.744 14.794 1.00 44.34 N ATOM 378 CA ASP A 30 -20.250 -17.721 14.343 1.00 12.23 C ATOM 379 C ASP A 30 -19.769 -19.142 14.617 1.00 72.45 C ATOM 380 O ASP A 30 -20.507 -19.963 15.162 1.00 21.44 O ATOM 381 CB ASP A 30 -20.531 -17.542 12.851 1.00 75.35 C ATOM 382 CG ASP A 30 -21.906 -16.960 12.586 1.00 71.20 C ATOM 383 OD1 ASP A 30 -22.460 -16.309 13.496 1.00 11.52 O ATOM 384 OD2 ASP A 30 -22.428 -17.156 11.468 1.00 4.45 O ATOM 0 H ASP A 30 -18.865 -16.175 14.049 1.00 44.34 H new ATOM 0 HA ASP A 30 -21.172 -17.556 14.900 1.00 12.23 H new ATOM 0 HB2 ASP A 30 -19.774 -16.889 12.418 1.00 75.35 H new ATOM 0 HB3 ASP A 30 -20.445 -18.506 12.350 1.00 75.35 H new ATOM 389 N ILE A 31 -18.529 -19.426 14.233 1.00 72.14 N ATOM 390 CA ILE A 31 -17.950 -20.748 14.436 1.00 35.33 C ATOM 391 C ILE A 31 -17.551 -20.955 15.893 1.00 11.14 C ATOM 392 O ILE A 31 -17.654 -22.059 16.425 1.00 34.41 O ATOM 393 CB ILE A 31 -16.716 -20.967 13.542 1.00 51.55 C ATOM 394 CG1 ILE A 31 -16.171 -22.384 13.725 1.00 64.33 C ATOM 395 CG2 ILE A 31 -15.643 -19.935 13.858 1.00 33.32 C ATOM 396 CD1 ILE A 31 -15.005 -22.705 12.816 1.00 71.44 C ATOM 0 H ILE A 31 -17.906 -18.758 13.779 1.00 72.14 H new ATOM 0 HA ILE A 31 -18.717 -21.473 14.165 1.00 35.33 H new ATOM 0 HB ILE A 31 -17.014 -20.845 12.501 1.00 51.55 H new ATOM 0 HG12 ILE A 31 -15.860 -22.514 14.761 1.00 64.33 H new ATOM 0 HG13 ILE A 31 -16.972 -23.099 13.541 1.00 64.33 H new ATOM 0 HG21 ILE A 31 -14.777 -20.103 13.218 1.00 33.32 H new ATOM 0 HG22 ILE A 31 -16.037 -18.934 13.680 1.00 33.32 H new ATOM 0 HG23 ILE A 31 -15.346 -20.028 14.903 1.00 33.32 H new ATOM 0 HD11 ILE A 31 -14.670 -23.726 13.000 1.00 71.44 H new ATOM 0 HD12 ILE A 31 -15.317 -22.608 11.776 1.00 71.44 H new ATOM 0 HD13 ILE A 31 -14.187 -22.013 13.016 1.00 71.44 H new ATOM 408 N ASN A 32 -17.096 -19.883 16.534 1.00 22.12 N ATOM 409 CA ASN A 32 -16.682 -19.946 17.931 1.00 21.42 C ATOM 410 C ASN A 32 -17.889 -20.111 18.849 1.00 12.14 C ATOM 411 O ASN A 32 -17.776 -20.646 19.953 1.00 54.01 O ATOM 412 CB ASN A 32 -15.905 -18.684 18.312 1.00 34.34 C ATOM 413 CG ASN A 32 -14.884 -18.941 19.404 1.00 73.33 C ATOM 414 OD1 ASN A 32 -13.691 -18.701 19.221 1.00 24.23 O ATOM 415 ND2 ASN A 32 -15.350 -19.432 20.546 1.00 33.41 N ATOM 0 H ASN A 32 -17.005 -18.961 16.108 1.00 22.12 H new ATOM 0 HA ASN A 32 -16.034 -20.814 18.053 1.00 21.42 H new ATOM 0 HB2 ASN A 32 -15.399 -18.292 17.430 1.00 34.34 H new ATOM 0 HB3 ASN A 32 -16.604 -17.917 18.645 1.00 34.34 H new ATOM 0 HD21 ASN A 32 -14.710 -19.626 21.317 1.00 33.41 H new ATOM 0 HD22 ASN A 32 -16.348 -19.616 20.653 1.00 33.41 H new ATOM 422 N THR A 33 -19.046 -19.647 18.386 1.00 61.51 N ATOM 423 CA THR A 33 -20.274 -19.742 19.164 1.00 33.35 C ATOM 424 C THR A 33 -20.958 -21.088 18.952 1.00 63.25 C ATOM 425 O THR A 33 -21.638 -21.598 19.843 1.00 71.54 O ATOM 426 CB THR A 33 -21.259 -18.616 18.799 1.00 13.32 C ATOM 427 OG1 THR A 33 -20.719 -17.348 19.188 1.00 52.32 O ATOM 428 CG2 THR A 33 -22.603 -18.830 19.479 1.00 30.23 C ATOM 0 H THR A 33 -19.157 -19.201 17.475 1.00 61.51 H new ATOM 0 HA THR A 33 -19.991 -19.642 20.212 1.00 33.35 H new ATOM 0 HB THR A 33 -21.410 -18.631 17.720 1.00 13.32 H new ATOM 0 HG1 THR A 33 -20.291 -16.924 18.415 1.00 52.32 H new ATOM 0 HG21 THR A 33 -23.282 -18.022 19.206 1.00 30.23 H new ATOM 0 HG22 THR A 33 -23.025 -19.782 19.159 1.00 30.23 H new ATOM 0 HG23 THR A 33 -22.466 -18.839 20.560 1.00 30.23 H new ATOM 436 N LEU A 34 -20.772 -21.659 17.767 1.00 75.44 N ATOM 437 CA LEU A 34 -21.371 -22.948 17.437 1.00 71.23 C ATOM 438 C LEU A 34 -20.873 -24.038 18.381 1.00 43.24 C ATOM 439 O LEU A 34 -21.641 -24.895 18.815 1.00 4.14 O ATOM 440 CB LEU A 34 -21.051 -23.326 15.989 1.00 1.13 C ATOM 441 CG LEU A 34 -20.947 -24.822 15.693 1.00 33.43 C ATOM 442 CD1 LEU A 34 -22.251 -25.526 16.038 1.00 24.33 C ATOM 443 CD2 LEU A 34 -20.584 -25.054 14.234 1.00 54.53 C ATOM 0 H LEU A 34 -20.212 -21.250 17.019 1.00 75.44 H new ATOM 0 HA LEU A 34 -22.451 -22.859 17.553 1.00 71.23 H new ATOM 0 HB2 LEU A 34 -21.821 -22.901 15.345 1.00 1.13 H new ATOM 0 HB3 LEU A 34 -20.108 -22.855 15.712 1.00 1.13 H new ATOM 0 HG LEU A 34 -20.155 -25.241 16.314 1.00 33.43 H new ATOM 0 HD11 LEU A 34 -22.159 -26.590 15.821 1.00 24.33 H new ATOM 0 HD12 LEU A 34 -22.469 -25.389 17.097 1.00 24.33 H new ATOM 0 HD13 LEU A 34 -23.061 -25.103 15.443 1.00 24.33 H new ATOM 0 HD21 LEU A 34 -20.514 -26.125 14.042 1.00 54.53 H new ATOM 0 HD22 LEU A 34 -21.352 -24.620 13.594 1.00 54.53 H new ATOM 0 HD23 LEU A 34 -19.625 -24.584 14.019 1.00 54.53 H new ATOM 455 N ASN A 35 -19.582 -23.996 18.695 1.00 60.31 N ATOM 456 CA ASN A 35 -18.981 -24.979 19.589 1.00 31.31 C ATOM 457 C ASN A 35 -17.549 -24.590 19.941 1.00 24.25 C ATOM 458 O ASN A 35 -16.722 -25.445 20.260 1.00 55.55 O ATOM 459 CB ASN A 35 -19.001 -26.366 18.943 1.00 24.23 C ATOM 460 CG ASN A 35 -18.607 -27.462 19.915 1.00 74.10 C ATOM 461 OD1 ASN A 35 -19.340 -27.764 20.857 1.00 2.54 O ATOM 462 ND2 ASN A 35 -17.445 -28.064 19.689 1.00 13.22 N ATOM 0 H ASN A 35 -18.933 -23.292 18.344 1.00 60.31 H new ATOM 0 HA ASN A 35 -19.568 -25.005 20.507 1.00 31.31 H new ATOM 0 HB2 ASN A 35 -19.999 -26.569 18.556 1.00 24.23 H new ATOM 0 HB3 ASN A 35 -18.321 -26.377 18.092 1.00 24.23 H new ATOM 0 HD21 ASN A 35 -17.128 -28.809 20.309 1.00 13.22 H new ATOM 0 HD22 ASN A 35 -16.870 -27.781 18.896 1.00 13.22 H new ATOM 469 N GLY A 36 -17.262 -23.293 19.883 1.00 62.12 N ATOM 470 CA GLY A 36 -15.929 -22.813 20.199 1.00 72.14 C ATOM 471 C GLY A 36 -15.805 -22.351 21.637 1.00 52.42 C ATOM 472 O GLY A 36 -14.728 -21.953 22.078 1.00 42.44 O ATOM 0 H GLY A 36 -17.929 -22.566 19.623 1.00 62.12 H new ATOM 0 HA2 GLY A 36 -15.206 -23.607 20.012 1.00 72.14 H new ATOM 0 HA3 GLY A 36 -15.676 -21.989 19.533 1.00 72.14 H new ATOM 476 N GLY A 37 -16.913 -22.401 22.371 1.00 63.41 N ATOM 477 CA GLY A 37 -16.902 -21.980 23.759 1.00 13.44 C ATOM 478 C GLY A 37 -18.107 -21.132 24.117 1.00 50.00 C ATOM 479 O GLY A 37 -18.708 -21.311 25.176 1.00 2.34 O ATOM 0 H GLY A 37 -17.817 -22.726 22.029 1.00 63.41 H new ATOM 0 HA2 GLY A 37 -16.877 -22.860 24.402 1.00 13.44 H new ATOM 0 HA3 GLY A 37 -15.992 -21.414 23.957 1.00 13.44 H new ATOM 483 N SER A 38 -18.460 -20.205 23.232 1.00 34.30 N ATOM 484 CA SER A 38 -19.598 -19.323 23.462 1.00 11.23 C ATOM 485 C SER A 38 -19.255 -18.252 24.494 1.00 71.13 C ATOM 486 O SER A 38 -19.291 -17.057 24.200 1.00 71.32 O ATOM 487 CB SER A 38 -20.810 -20.130 23.932 1.00 22.02 C ATOM 488 OG SER A 38 -20.856 -21.396 23.297 1.00 35.03 O ATOM 0 H SER A 38 -17.974 -20.045 22.349 1.00 34.30 H new ATOM 0 HA SER A 38 -19.841 -18.832 22.520 1.00 11.23 H new ATOM 0 HB2 SER A 38 -20.765 -20.263 25.013 1.00 22.02 H new ATOM 0 HB3 SER A 38 -21.725 -19.578 23.716 1.00 22.02 H new ATOM 0 HG SER A 38 -21.638 -21.893 23.615 1.00 35.03 H new ATOM 494 N SER A 39 -18.923 -18.690 25.704 1.00 44.02 N ATOM 495 CA SER A 39 -18.577 -17.770 26.781 1.00 24.22 C ATOM 496 C SER A 39 -17.268 -17.046 26.478 1.00 54.00 C ATOM 497 O SER A 39 -17.191 -15.820 26.561 1.00 72.03 O ATOM 498 CB SER A 39 -18.459 -18.525 28.107 1.00 74.03 C ATOM 499 OG SER A 39 -17.422 -19.489 28.055 1.00 43.41 O ATOM 0 H SER A 39 -18.886 -19.676 25.963 1.00 44.02 H new ATOM 0 HA SER A 39 -19.372 -17.029 26.862 1.00 24.22 H new ATOM 0 HB2 SER A 39 -18.264 -17.819 28.915 1.00 74.03 H new ATOM 0 HB3 SER A 39 -19.405 -19.016 28.335 1.00 74.03 H new ATOM 0 HG SER A 39 -17.366 -19.956 28.915 1.00 43.41 H new ATOM 505 N ASP A 40 -16.243 -17.813 26.127 1.00 65.32 N ATOM 506 CA ASP A 40 -14.937 -17.246 25.810 1.00 61.31 C ATOM 507 C ASP A 40 -14.890 -16.767 24.363 1.00 45.44 C ATOM 508 O ASP A 40 -13.911 -16.157 23.930 1.00 24.23 O ATOM 509 CB ASP A 40 -13.836 -18.279 26.054 1.00 24.22 C ATOM 510 CG ASP A 40 -14.037 -19.046 27.347 1.00 51.34 C ATOM 511 OD1 ASP A 40 -14.120 -18.400 28.412 1.00 1.00 O ATOM 512 OD2 ASP A 40 -14.111 -20.291 27.293 1.00 71.43 O ATOM 0 H ASP A 40 -16.290 -18.829 26.055 1.00 65.32 H new ATOM 0 HA ASP A 40 -14.772 -16.389 26.463 1.00 61.31 H new ATOM 0 HB2 ASP A 40 -13.808 -18.980 25.220 1.00 24.22 H new ATOM 0 HB3 ASP A 40 -12.869 -17.776 26.080 1.00 24.22 H new ATOM 517 N THR A 41 -15.954 -17.047 23.616 1.00 3.44 N ATOM 518 CA THR A 41 -16.033 -16.646 22.217 1.00 30.14 C ATOM 519 C THR A 41 -15.644 -15.183 22.042 1.00 54.45 C ATOM 520 O THR A 41 -14.693 -14.865 21.329 1.00 4.33 O ATOM 521 CB THR A 41 -17.449 -16.861 21.651 1.00 72.11 C ATOM 522 OG1 THR A 41 -17.719 -18.262 21.526 1.00 53.34 O ATOM 523 CG2 THR A 41 -17.598 -16.188 20.295 1.00 4.40 C ATOM 0 H THR A 41 -16.773 -17.550 23.957 1.00 3.44 H new ATOM 0 HA THR A 41 -15.331 -17.273 21.668 1.00 30.14 H new ATOM 0 HB THR A 41 -18.164 -16.414 22.341 1.00 72.11 H new ATOM 0 HG1 THR A 41 -18.410 -18.402 20.846 1.00 53.34 H new ATOM 0 HG21 THR A 41 -18.606 -16.354 19.915 1.00 4.40 H new ATOM 0 HG22 THR A 41 -17.421 -15.118 20.399 1.00 4.40 H new ATOM 0 HG23 THR A 41 -16.874 -16.610 19.598 1.00 4.40 H new ATOM 531 N ALA A 42 -16.387 -14.295 22.696 1.00 62.44 N ATOM 532 CA ALA A 42 -16.118 -12.865 22.613 1.00 24.23 C ATOM 533 C ALA A 42 -14.624 -12.580 22.727 1.00 21.34 C ATOM 534 O ALA A 42 -14.043 -11.909 21.874 1.00 74.21 O ATOM 535 CB ALA A 42 -16.883 -12.121 23.697 1.00 11.23 C ATOM 0 H ALA A 42 -17.180 -14.541 23.289 1.00 62.44 H new ATOM 0 HA ALA A 42 -16.455 -12.513 21.638 1.00 24.23 H new ATOM 0 HB1 ALA A 42 -16.673 -11.054 23.623 1.00 11.23 H new ATOM 0 HB2 ALA A 42 -17.952 -12.290 23.569 1.00 11.23 H new ATOM 0 HB3 ALA A 42 -16.573 -12.485 24.676 1.00 11.23 H new ATOM 541 N ASP A 43 -14.008 -13.094 23.786 1.00 2.54 N ATOM 542 CA ASP A 43 -12.581 -12.894 24.012 1.00 62.42 C ATOM 543 C ASP A 43 -11.768 -13.395 22.822 1.00 3.01 C ATOM 544 O ASP A 43 -10.835 -12.731 22.370 1.00 3.21 O ATOM 545 CB ASP A 43 -12.139 -13.614 25.287 1.00 62.43 C ATOM 546 CG ASP A 43 -11.967 -12.666 26.457 1.00 23.31 C ATOM 547 OD1 ASP A 43 -12.981 -12.101 26.918 1.00 71.43 O ATOM 548 OD2 ASP A 43 -10.818 -12.490 26.913 1.00 1.31 O ATOM 0 H ASP A 43 -14.474 -13.652 24.501 1.00 2.54 H new ATOM 0 HA ASP A 43 -12.402 -11.825 24.128 1.00 62.42 H new ATOM 0 HB2 ASP A 43 -12.876 -14.375 25.545 1.00 62.43 H new ATOM 0 HB3 ASP A 43 -11.198 -14.131 25.101 1.00 62.43 H new ATOM 553 N LYS A 44 -12.127 -14.571 22.319 1.00 30.34 N ATOM 554 CA LYS A 44 -11.432 -15.162 21.182 1.00 20.31 C ATOM 555 C LYS A 44 -11.573 -14.285 19.942 1.00 34.22 C ATOM 556 O LYS A 44 -10.597 -14.030 19.236 1.00 31.43 O ATOM 557 CB LYS A 44 -11.980 -16.562 20.895 1.00 63.13 C ATOM 558 CG LYS A 44 -11.493 -17.618 21.872 1.00 33.10 C ATOM 559 CD LYS A 44 -12.654 -18.352 22.524 1.00 44.43 C ATOM 560 CE LYS A 44 -12.471 -19.860 22.450 1.00 14.21 C ATOM 561 NZ LYS A 44 -12.347 -20.336 21.044 1.00 12.44 N ATOM 0 H LYS A 44 -12.896 -15.134 22.681 1.00 30.34 H new ATOM 0 HA LYS A 44 -10.374 -15.237 21.434 1.00 20.31 H new ATOM 0 HB2 LYS A 44 -13.069 -16.529 20.922 1.00 63.13 H new ATOM 0 HB3 LYS A 44 -11.695 -16.855 19.885 1.00 63.13 H new ATOM 0 HG2 LYS A 44 -10.857 -18.333 21.350 1.00 33.10 H new ATOM 0 HG3 LYS A 44 -10.880 -17.148 22.641 1.00 33.10 H new ATOM 0 HD2 LYS A 44 -12.740 -18.045 23.566 1.00 44.43 H new ATOM 0 HD3 LYS A 44 -13.585 -18.073 22.031 1.00 44.43 H new ATOM 0 HE2 LYS A 44 -11.580 -20.146 23.010 1.00 14.21 H new ATOM 0 HE3 LYS A 44 -13.319 -20.352 22.927 1.00 14.21 H new ATOM 0 HZ1 LYS A 44 -12.926 -21.190 20.914 1.00 12.44 H new ATOM 0 HZ2 LYS A 44 -12.677 -19.593 20.396 1.00 12.44 H new ATOM 0 HZ3 LYS A 44 -11.352 -20.558 20.839 1.00 12.44 H new ATOM 575 N ILE A 45 -12.793 -13.825 19.684 1.00 30.44 N ATOM 576 CA ILE A 45 -13.060 -12.975 18.531 1.00 12.33 C ATOM 577 C ILE A 45 -12.293 -11.661 18.628 1.00 44.30 C ATOM 578 O ILE A 45 -11.924 -11.069 17.613 1.00 34.01 O ATOM 579 CB ILE A 45 -14.563 -12.669 18.393 1.00 34.23 C ATOM 580 CG1 ILE A 45 -15.379 -13.960 18.491 1.00 15.20 C ATOM 581 CG2 ILE A 45 -14.841 -11.959 17.077 1.00 61.02 C ATOM 582 CD1 ILE A 45 -14.671 -15.167 17.918 1.00 31.42 C ATOM 0 H ILE A 45 -13.612 -14.027 20.258 1.00 30.44 H new ATOM 0 HA ILE A 45 -12.727 -13.524 17.650 1.00 12.33 H new ATOM 0 HB ILE A 45 -14.861 -12.010 19.208 1.00 34.23 H new ATOM 0 HG12 ILE A 45 -15.617 -14.151 19.537 1.00 15.20 H new ATOM 0 HG13 ILE A 45 -16.326 -13.822 17.969 1.00 15.20 H new ATOM 0 HG21 ILE A 45 -15.908 -11.750 16.995 1.00 61.02 H new ATOM 0 HG22 ILE A 45 -14.284 -11.023 17.044 1.00 61.02 H new ATOM 0 HG23 ILE A 45 -14.531 -12.595 16.248 1.00 61.02 H new ATOM 0 HD11 ILE A 45 -15.308 -16.046 18.022 1.00 31.42 H new ATOM 0 HD12 ILE A 45 -14.457 -14.996 16.863 1.00 31.42 H new ATOM 0 HD13 ILE A 45 -13.737 -15.330 18.456 1.00 31.42 H new ATOM 594 N ARG A 46 -12.053 -11.210 19.855 1.00 33.53 N ATOM 595 CA ARG A 46 -11.329 -9.966 20.085 1.00 65.50 C ATOM 596 C ARG A 46 -9.864 -10.107 19.679 1.00 33.53 C ATOM 597 O ARG A 46 -9.336 -9.286 18.929 1.00 32.20 O ATOM 598 CB ARG A 46 -11.424 -9.560 21.557 1.00 53.24 C ATOM 599 CG ARG A 46 -12.847 -9.301 22.026 1.00 43.14 C ATOM 600 CD ARG A 46 -13.142 -7.812 22.113 1.00 51.32 C ATOM 601 NE ARG A 46 -13.821 -7.318 20.918 1.00 42.52 N ATOM 602 CZ ARG A 46 -14.455 -6.152 20.862 1.00 11.30 C ATOM 603 NH1 ARG A 46 -14.497 -5.364 21.928 1.00 63.31 N ATOM 604 NH2 ARG A 46 -15.049 -5.771 19.738 1.00 21.21 N ATOM 0 H ARG A 46 -12.350 -11.688 20.706 1.00 33.53 H new ATOM 0 HA ARG A 46 -11.786 -9.190 19.471 1.00 65.50 H new ATOM 0 HB2 ARG A 46 -10.985 -10.346 22.171 1.00 53.24 H new ATOM 0 HB3 ARG A 46 -10.828 -8.661 21.717 1.00 53.24 H new ATOM 0 HG2 ARG A 46 -13.549 -9.773 21.339 1.00 43.14 H new ATOM 0 HG3 ARG A 46 -12.999 -9.761 23.002 1.00 43.14 H new ATOM 0 HD2 ARG A 46 -13.761 -7.616 22.989 1.00 51.32 H new ATOM 0 HD3 ARG A 46 -12.209 -7.265 22.252 1.00 51.32 H new ATOM 0 HE ARG A 46 -13.808 -7.900 20.081 1.00 42.52 H new ATOM 0 HH11 ARG A 46 -14.042 -5.653 22.794 1.00 63.31 H new ATOM 0 HH12 ARG A 46 -14.985 -4.469 21.882 1.00 63.31 H new ATOM 0 HH21 ARG A 46 -15.019 -6.374 18.916 1.00 21.21 H new ATOM 0 HH22 ARG A 46 -15.535 -4.875 19.696 1.00 21.21 H new ATOM 618 N ILE A 47 -9.215 -11.153 20.181 1.00 41.43 N ATOM 619 CA ILE A 47 -7.813 -11.401 19.870 1.00 44.20 C ATOM 620 C ILE A 47 -7.653 -11.969 18.464 1.00 73.11 C ATOM 621 O ILE A 47 -6.620 -11.782 17.820 1.00 32.13 O ATOM 622 CB ILE A 47 -7.176 -12.374 20.880 1.00 41.31 C ATOM 623 CG1 ILE A 47 -7.938 -13.701 20.893 1.00 44.33 C ATOM 624 CG2 ILE A 47 -7.155 -11.755 22.270 1.00 63.52 C ATOM 625 CD1 ILE A 47 -7.332 -14.754 19.992 1.00 43.12 C ATOM 0 H ILE A 47 -9.638 -11.841 20.804 1.00 41.43 H new ATOM 0 HA ILE A 47 -7.302 -10.440 19.931 1.00 44.20 H new ATOM 0 HB ILE A 47 -6.148 -12.570 20.575 1.00 41.31 H new ATOM 0 HG12 ILE A 47 -7.970 -14.082 21.914 1.00 44.33 H new ATOM 0 HG13 ILE A 47 -8.969 -13.522 20.587 1.00 44.33 H new ATOM 0 HG21 ILE A 47 -6.702 -12.454 22.973 1.00 63.52 H new ATOM 0 HG22 ILE A 47 -6.573 -10.833 22.249 1.00 63.52 H new ATOM 0 HG23 ILE A 47 -8.175 -11.533 22.585 1.00 63.52 H new ATOM 0 HD11 ILE A 47 -7.923 -15.668 20.051 1.00 43.12 H new ATOM 0 HD12 ILE A 47 -7.325 -14.393 18.964 1.00 43.12 H new ATOM 0 HD13 ILE A 47 -6.311 -14.962 20.311 1.00 43.12 H new ATOM 637 N HIS A 48 -8.684 -12.663 17.992 1.00 52.14 N ATOM 638 CA HIS A 48 -8.660 -13.257 16.660 1.00 40.13 C ATOM 639 C HIS A 48 -8.867 -12.193 15.586 1.00 10.43 C ATOM 640 O HIS A 48 -8.053 -12.051 14.674 1.00 13.11 O ATOM 641 CB HIS A 48 -9.737 -14.335 16.540 1.00 72.35 C ATOM 642 CG HIS A 48 -9.369 -15.626 17.204 1.00 61.45 C ATOM 643 ND1 HIS A 48 -8.072 -16.090 17.281 1.00 15.43 N ATOM 644 CD2 HIS A 48 -10.136 -16.553 17.824 1.00 1.02 C ATOM 645 CE1 HIS A 48 -8.058 -17.246 17.920 1.00 71.24 C ATOM 646 NE2 HIS A 48 -9.298 -17.550 18.260 1.00 3.51 N ATOM 0 H HIS A 48 -9.546 -12.828 18.512 1.00 52.14 H new ATOM 0 HA HIS A 48 -7.681 -13.713 16.511 1.00 40.13 H new ATOM 0 HB2 HIS A 48 -10.663 -13.962 16.978 1.00 72.35 H new ATOM 0 HB3 HIS A 48 -9.936 -14.522 15.485 1.00 72.35 H new ATOM 0 HD2 HIS A 48 -11.208 -16.516 17.952 1.00 1.02 H new ATOM 0 HE1 HIS A 48 -7.182 -17.842 18.129 1.00 71.24 H new ATOM 0 HE2 HIS A 48 -9.586 -18.389 18.764 1.00 3.51 H new ATOM 654 N ALA A 49 -9.962 -11.448 15.702 1.00 45.32 N ATOM 655 CA ALA A 49 -10.275 -10.396 14.742 1.00 5.03 C ATOM 656 C ALA A 49 -9.195 -9.319 14.737 1.00 61.14 C ATOM 657 O ALA A 49 -8.882 -8.744 13.694 1.00 70.23 O ATOM 658 CB ALA A 49 -11.632 -9.784 15.055 1.00 41.45 C ATOM 0 H ALA A 49 -10.647 -11.553 16.451 1.00 45.32 H new ATOM 0 HA ALA A 49 -10.310 -10.843 13.748 1.00 5.03 H new ATOM 0 HB1 ALA A 49 -11.853 -9.000 14.331 1.00 41.45 H new ATOM 0 HB2 ALA A 49 -12.400 -10.555 15.001 1.00 41.45 H new ATOM 0 HB3 ALA A 49 -11.616 -9.357 16.058 1.00 41.45 H new ATOM 664 N LYS A 50 -8.629 -9.049 15.908 1.00 64.41 N ATOM 665 CA LYS A 50 -7.583 -8.042 16.039 1.00 50.41 C ATOM 666 C LYS A 50 -6.270 -8.539 15.443 1.00 71.13 C ATOM 667 O LYS A 50 -5.630 -7.841 14.658 1.00 10.41 O ATOM 668 CB LYS A 50 -7.381 -7.675 17.511 1.00 63.31 C ATOM 669 CG LYS A 50 -6.469 -6.479 17.720 1.00 11.41 C ATOM 670 CD LYS A 50 -6.623 -5.897 19.116 1.00 72.54 C ATOM 671 CE LYS A 50 -7.972 -5.216 19.290 1.00 43.32 C ATOM 672 NZ LYS A 50 -8.030 -4.413 20.543 1.00 43.03 N ATOM 0 H LYS A 50 -8.877 -9.514 16.781 1.00 64.41 H new ATOM 0 HA LYS A 50 -7.898 -7.155 15.489 1.00 50.41 H new ATOM 0 HB2 LYS A 50 -8.351 -7.464 17.961 1.00 63.31 H new ATOM 0 HB3 LYS A 50 -6.966 -8.534 18.037 1.00 63.31 H new ATOM 0 HG2 LYS A 50 -5.433 -6.778 17.562 1.00 11.41 H new ATOM 0 HG3 LYS A 50 -6.696 -5.713 16.978 1.00 11.41 H new ATOM 0 HD2 LYS A 50 -6.517 -6.690 19.856 1.00 72.54 H new ATOM 0 HD3 LYS A 50 -5.825 -5.178 19.302 1.00 72.54 H new ATOM 0 HE2 LYS A 50 -8.165 -4.569 18.435 1.00 43.32 H new ATOM 0 HE3 LYS A 50 -8.760 -5.969 19.304 1.00 43.32 H new ATOM 0 HZ1 LYS A 50 -8.965 -3.965 20.625 1.00 43.03 H new ATOM 0 HZ2 LYS A 50 -7.871 -5.035 21.361 1.00 43.03 H new ATOM 0 HZ3 LYS A 50 -7.295 -3.678 20.519 1.00 43.03 H new ATOM 686 N ASN A 51 -5.876 -9.751 15.820 1.00 61.12 N ATOM 687 CA ASN A 51 -4.639 -10.342 15.321 1.00 33.12 C ATOM 688 C ASN A 51 -4.717 -10.576 13.816 1.00 64.05 C ATOM 689 O ASN A 51 -3.820 -10.184 13.069 1.00 63.14 O ATOM 690 CB ASN A 51 -4.355 -11.663 16.040 1.00 43.42 C ATOM 691 CG ASN A 51 -2.976 -12.209 15.721 1.00 13.33 C ATOM 692 OD1 ASN A 51 -2.007 -11.457 15.619 1.00 41.20 O ATOM 693 ND2 ASN A 51 -2.883 -13.524 15.563 1.00 54.14 N ATOM 0 H ASN A 51 -6.395 -10.343 16.469 1.00 61.12 H new ATOM 0 HA ASN A 51 -3.825 -9.645 15.521 1.00 33.12 H new ATOM 0 HB2 ASN A 51 -4.444 -11.514 17.116 1.00 43.42 H new ATOM 0 HB3 ASN A 51 -5.109 -12.398 15.756 1.00 43.42 H new ATOM 0 HD21 ASN A 51 -1.981 -13.949 15.348 1.00 54.14 H new ATOM 0 HD22 ASN A 51 -3.713 -14.109 15.657 1.00 54.14 H new ATOM 700 N PHE A 52 -5.795 -11.217 13.376 1.00 2.15 N ATOM 701 CA PHE A 52 -5.990 -11.504 11.960 1.00 2.40 C ATOM 702 C PHE A 52 -5.925 -10.224 11.132 1.00 13.51 C ATOM 703 O PHE A 52 -5.171 -10.136 10.164 1.00 70.32 O ATOM 704 CB PHE A 52 -7.334 -12.200 11.739 1.00 13.03 C ATOM 705 CG PHE A 52 -7.292 -13.680 11.993 1.00 44.23 C ATOM 706 CD1 PHE A 52 -6.331 -14.473 11.386 1.00 2.41 C ATOM 707 CD2 PHE A 52 -8.213 -14.278 12.837 1.00 21.22 C ATOM 708 CE1 PHE A 52 -6.289 -15.835 11.617 1.00 5.44 C ATOM 709 CE2 PHE A 52 -8.175 -15.640 13.073 1.00 52.54 C ATOM 710 CZ PHE A 52 -7.213 -16.419 12.461 1.00 3.11 C ATOM 0 H PHE A 52 -6.547 -11.548 13.980 1.00 2.15 H new ATOM 0 HA PHE A 52 -5.188 -12.167 11.636 1.00 2.40 H new ATOM 0 HB2 PHE A 52 -8.080 -11.748 12.393 1.00 13.03 H new ATOM 0 HB3 PHE A 52 -7.661 -12.025 10.714 1.00 13.03 H new ATOM 0 HD1 PHE A 52 -5.606 -14.021 10.725 1.00 2.41 H new ATOM 0 HD2 PHE A 52 -8.969 -13.674 13.316 1.00 21.22 H new ATOM 0 HE1 PHE A 52 -5.535 -16.442 11.138 1.00 5.44 H new ATOM 0 HE2 PHE A 52 -8.897 -16.094 13.735 1.00 52.54 H new ATOM 0 HZ PHE A 52 -7.183 -17.483 12.642 1.00 3.11 H new ATOM 720 N GLU A 53 -6.723 -9.233 11.521 1.00 63.41 N ATOM 721 CA GLU A 53 -6.757 -7.959 10.814 1.00 51.32 C ATOM 722 C GLU A 53 -5.355 -7.370 10.684 1.00 31.24 C ATOM 723 O GLU A 53 -4.954 -6.927 9.609 1.00 5.41 O ATOM 724 CB GLU A 53 -7.672 -6.971 11.541 1.00 4.05 C ATOM 725 CG GLU A 53 -7.546 -5.542 11.040 1.00 24.13 C ATOM 726 CD GLU A 53 -6.510 -4.744 11.808 1.00 44.12 C ATOM 727 OE1 GLU A 53 -6.401 -4.940 13.036 1.00 31.44 O ATOM 728 OE2 GLU A 53 -5.808 -3.923 11.181 1.00 71.14 O ATOM 0 H GLU A 53 -7.353 -9.289 12.321 1.00 63.41 H new ATOM 0 HA GLU A 53 -7.150 -8.139 9.814 1.00 51.32 H new ATOM 0 HB2 GLU A 53 -8.706 -7.296 11.429 1.00 4.05 H new ATOM 0 HB3 GLU A 53 -7.444 -6.995 12.607 1.00 4.05 H new ATOM 0 HG2 GLU A 53 -7.280 -5.554 9.983 1.00 24.13 H new ATOM 0 HG3 GLU A 53 -8.513 -5.046 11.120 1.00 24.13 H new ATOM 735 N ALA A 54 -4.616 -7.370 11.789 1.00 42.22 N ATOM 736 CA ALA A 54 -3.259 -6.838 11.799 1.00 2.34 C ATOM 737 C ALA A 54 -2.335 -7.673 10.919 1.00 1.34 C ATOM 738 O ALA A 54 -1.373 -7.158 10.349 1.00 31.34 O ATOM 739 CB ALA A 54 -2.725 -6.781 13.223 1.00 14.22 C ATOM 0 H ALA A 54 -4.934 -7.732 12.688 1.00 42.22 H new ATOM 0 HA ALA A 54 -3.289 -5.827 11.393 1.00 2.34 H new ATOM 0 HB1 ALA A 54 -1.711 -6.382 13.216 1.00 14.22 H new ATOM 0 HB2 ALA A 54 -3.364 -6.136 13.826 1.00 14.22 H new ATOM 0 HB3 ALA A 54 -2.717 -7.784 13.649 1.00 14.22 H new ATOM 745 N ALA A 55 -2.633 -8.964 10.814 1.00 41.52 N ATOM 746 CA ALA A 55 -1.829 -9.869 10.002 1.00 34.21 C ATOM 747 C ALA A 55 -2.094 -9.655 8.516 1.00 41.14 C ATOM 748 O ALA A 55 -1.162 -9.514 7.723 1.00 62.34 O ATOM 749 CB ALA A 55 -2.111 -11.314 10.387 1.00 11.14 C ATOM 0 H ALA A 55 -3.425 -9.406 11.281 1.00 41.52 H new ATOM 0 HA ALA A 55 -0.778 -9.652 10.192 1.00 34.21 H new ATOM 0 HB1 ALA A 55 -1.504 -11.979 9.773 1.00 11.14 H new ATOM 0 HB2 ALA A 55 -1.865 -11.465 11.438 1.00 11.14 H new ATOM 0 HB3 ALA A 55 -3.166 -11.534 10.226 1.00 11.14 H new ATOM 755 N LEU A 56 -3.369 -9.632 8.144 1.00 41.33 N ATOM 756 CA LEU A 56 -3.756 -9.435 6.751 1.00 33.21 C ATOM 757 C LEU A 56 -3.472 -8.005 6.303 1.00 11.05 C ATOM 758 O LEU A 56 -3.166 -7.758 5.137 1.00 41.41 O ATOM 759 CB LEU A 56 -5.240 -9.755 6.564 1.00 55.20 C ATOM 760 CG LEU A 56 -6.199 -9.101 7.560 1.00 24.35 C ATOM 761 CD1 LEU A 56 -6.909 -7.919 6.921 1.00 52.33 C ATOM 762 CD2 LEU A 56 -7.208 -10.118 8.075 1.00 43.50 C ATOM 0 H LEU A 56 -4.152 -9.747 8.787 1.00 41.33 H new ATOM 0 HA LEU A 56 -3.164 -10.112 6.136 1.00 33.21 H new ATOM 0 HB2 LEU A 56 -5.532 -9.454 5.558 1.00 55.20 H new ATOM 0 HB3 LEU A 56 -5.368 -10.836 6.623 1.00 55.20 H new ATOM 0 HG LEU A 56 -5.618 -8.734 8.406 1.00 24.35 H new ATOM 0 HD11 LEU A 56 -7.587 -7.467 7.645 1.00 52.33 H new ATOM 0 HD12 LEU A 56 -6.173 -7.181 6.603 1.00 52.33 H new ATOM 0 HD13 LEU A 56 -7.477 -8.260 6.056 1.00 52.33 H new ATOM 0 HD21 LEU A 56 -7.882 -9.635 8.782 1.00 43.50 H new ATOM 0 HD22 LEU A 56 -7.783 -10.515 7.239 1.00 43.50 H new ATOM 0 HD23 LEU A 56 -6.682 -10.932 8.573 1.00 43.50 H new ATOM 774 N PHE A 57 -3.574 -7.067 7.239 1.00 45.51 N ATOM 775 CA PHE A 57 -3.326 -5.661 6.941 1.00 12.53 C ATOM 776 C PHE A 57 -1.831 -5.389 6.801 1.00 32.14 C ATOM 777 O PHE A 57 -1.389 -4.776 5.830 1.00 11.34 O ATOM 778 CB PHE A 57 -3.916 -4.773 8.039 1.00 35.44 C ATOM 779 CG PHE A 57 -3.957 -3.317 7.676 1.00 3.40 C ATOM 780 CD1 PHE A 57 -2.785 -2.586 7.559 1.00 14.44 C ATOM 781 CD2 PHE A 57 -5.166 -2.678 7.451 1.00 65.34 C ATOM 782 CE1 PHE A 57 -2.820 -1.245 7.226 1.00 43.20 C ATOM 783 CE2 PHE A 57 -5.206 -1.338 7.116 1.00 11.45 C ATOM 784 CZ PHE A 57 -4.031 -0.620 7.003 1.00 34.30 C ATOM 0 H PHE A 57 -3.826 -7.255 8.209 1.00 45.51 H new ATOM 0 HA PHE A 57 -3.810 -5.426 5.993 1.00 12.53 H new ATOM 0 HB2 PHE A 57 -4.927 -5.111 8.264 1.00 35.44 H new ATOM 0 HB3 PHE A 57 -3.329 -4.896 8.949 1.00 35.44 H new ATOM 0 HD1 PHE A 57 -1.834 -3.069 7.730 1.00 14.44 H new ATOM 0 HD2 PHE A 57 -6.088 -3.234 7.539 1.00 65.34 H new ATOM 0 HE1 PHE A 57 -1.900 -0.686 7.140 1.00 43.20 H new ATOM 0 HE2 PHE A 57 -6.155 -0.852 6.943 1.00 11.45 H new ATOM 0 HZ PHE A 57 -4.060 0.427 6.741 1.00 34.30 H new ATOM 794 N ALA A 58 -1.058 -5.850 7.779 1.00 31.21 N ATOM 795 CA ALA A 58 0.387 -5.659 7.765 1.00 12.02 C ATOM 796 C ALA A 58 1.032 -6.436 6.623 1.00 44.12 C ATOM 797 O ALA A 58 2.020 -5.993 6.037 1.00 44.31 O ATOM 798 CB ALA A 58 0.988 -6.080 9.098 1.00 12.11 C ATOM 0 H ALA A 58 -1.408 -6.358 8.591 1.00 31.21 H new ATOM 0 HA ALA A 58 0.587 -4.599 7.607 1.00 12.02 H new ATOM 0 HB1 ALA A 58 2.068 -5.932 9.073 1.00 12.11 H new ATOM 0 HB2 ALA A 58 0.557 -5.478 9.898 1.00 12.11 H new ATOM 0 HB3 ALA A 58 0.770 -7.133 9.279 1.00 12.11 H new ATOM 804 N LYS A 59 0.469 -7.598 6.311 1.00 55.12 N ATOM 805 CA LYS A 59 0.988 -8.437 5.238 1.00 62.40 C ATOM 806 C LYS A 59 0.311 -8.107 3.912 1.00 41.42 C ATOM 807 O LYS A 59 0.697 -8.621 2.862 1.00 52.21 O ATOM 808 CB LYS A 59 0.781 -9.916 5.574 1.00 71.13 C ATOM 809 CG LYS A 59 1.487 -10.356 6.844 1.00 30.05 C ATOM 810 CD LYS A 59 2.991 -10.168 6.740 1.00 22.42 C ATOM 811 CE LYS A 59 3.742 -11.394 7.238 1.00 34.13 C ATOM 812 NZ LYS A 59 3.609 -12.544 6.302 1.00 63.15 N ATOM 0 H LYS A 59 -0.348 -7.981 6.787 1.00 55.12 H new ATOM 0 HA LYS A 59 2.055 -8.238 5.140 1.00 62.40 H new ATOM 0 HB2 LYS A 59 -0.287 -10.111 5.676 1.00 71.13 H new ATOM 0 HB3 LYS A 59 1.138 -10.522 4.741 1.00 71.13 H new ATOM 0 HG2 LYS A 59 1.106 -9.784 7.690 1.00 30.05 H new ATOM 0 HG3 LYS A 59 1.263 -11.404 7.041 1.00 30.05 H new ATOM 0 HD2 LYS A 59 3.263 -9.970 5.703 1.00 22.42 H new ATOM 0 HD3 LYS A 59 3.291 -9.296 7.321 1.00 22.42 H new ATOM 0 HE2 LYS A 59 4.796 -11.148 7.363 1.00 34.13 H new ATOM 0 HE3 LYS A 59 3.362 -11.679 8.219 1.00 34.13 H new ATOM 0 HZ1 LYS A 59 4.301 -13.279 6.554 1.00 63.15 H new ATOM 0 HZ2 LYS A 59 2.648 -12.936 6.368 1.00 63.15 H new ATOM 0 HZ3 LYS A 59 3.785 -12.222 5.329 1.00 63.15 H new ATOM 826 N SER A 60 -0.699 -7.244 3.967 1.00 62.30 N ATOM 827 CA SER A 60 -1.431 -6.847 2.770 1.00 2.31 C ATOM 828 C SER A 60 -0.486 -6.260 1.725 1.00 32.24 C ATOM 829 O SER A 60 0.212 -5.280 1.984 1.00 23.35 O ATOM 830 CB SER A 60 -2.514 -5.826 3.125 1.00 73.44 C ATOM 831 OG SER A 60 -2.183 -4.539 2.634 1.00 62.15 O ATOM 0 H SER A 60 -1.029 -6.807 4.827 1.00 62.30 H new ATOM 0 HA SER A 60 -1.902 -7.736 2.350 1.00 2.31 H new ATOM 0 HB2 SER A 60 -3.469 -6.144 2.706 1.00 73.44 H new ATOM 0 HB3 SER A 60 -2.638 -5.785 4.207 1.00 73.44 H new ATOM 0 HG SER A 60 -2.891 -3.905 2.873 1.00 62.15 H new ATOM 837 N SER A 61 -0.471 -6.868 0.543 1.00 1.32 N ATOM 838 CA SER A 61 0.390 -6.409 -0.541 1.00 22.23 C ATOM 839 C SER A 61 -0.338 -5.401 -1.424 1.00 13.43 C ATOM 840 O SER A 61 0.287 -4.640 -2.163 1.00 30.34 O ATOM 841 CB SER A 61 0.860 -7.596 -1.384 1.00 24.23 C ATOM 842 OG SER A 61 1.619 -8.506 -0.605 1.00 54.14 O ATOM 0 H SER A 61 -1.045 -7.679 0.312 1.00 1.32 H new ATOM 0 HA SER A 61 1.258 -5.919 -0.100 1.00 22.23 H new ATOM 0 HB2 SER A 61 -0.003 -8.108 -1.810 1.00 24.23 H new ATOM 0 HB3 SER A 61 1.462 -7.237 -2.219 1.00 24.23 H new ATOM 0 HG SER A 61 1.015 -9.051 -0.058 1.00 54.14 H new ATOM 848 N SER A 62 -1.665 -5.401 -1.341 1.00 1.21 N ATOM 849 CA SER A 62 -2.480 -4.489 -2.135 1.00 35.04 C ATOM 850 C SER A 62 -3.960 -4.650 -1.798 1.00 3.14 C ATOM 851 O SER A 62 -4.349 -5.575 -1.084 1.00 55.25 O ATOM 852 CB SER A 62 -2.256 -4.738 -3.627 1.00 62.23 C ATOM 853 OG SER A 62 -1.694 -6.020 -3.852 1.00 0.35 O ATOM 0 H SER A 62 -2.198 -6.022 -0.732 1.00 1.21 H new ATOM 0 HA SER A 62 -2.179 -3.469 -1.895 1.00 35.04 H new ATOM 0 HB2 SER A 62 -3.204 -4.655 -4.159 1.00 62.23 H new ATOM 0 HB3 SER A 62 -1.595 -3.972 -4.031 1.00 62.23 H new ATOM 0 HG SER A 62 -1.562 -6.155 -4.814 1.00 0.35 H new ATOM 859 N LYS A 63 -4.780 -3.742 -2.316 1.00 31.31 N ATOM 860 CA LYS A 63 -6.217 -3.782 -2.073 1.00 13.32 C ATOM 861 C LYS A 63 -6.786 -5.161 -2.392 1.00 44.35 C ATOM 862 O LYS A 63 -7.735 -5.616 -1.754 1.00 50.32 O ATOM 863 CB LYS A 63 -6.927 -2.718 -2.914 1.00 20.31 C ATOM 864 CG LYS A 63 -6.705 -2.877 -4.408 1.00 43.41 C ATOM 865 CD LYS A 63 -7.406 -1.782 -5.195 1.00 71.32 C ATOM 866 CE LYS A 63 -8.888 -2.081 -5.366 1.00 3.11 C ATOM 867 NZ LYS A 63 -9.685 -0.838 -5.559 1.00 72.22 N ATOM 0 H LYS A 63 -4.474 -2.969 -2.907 1.00 31.31 H new ATOM 0 HA LYS A 63 -6.387 -3.575 -1.016 1.00 13.32 H new ATOM 0 HB2 LYS A 63 -7.997 -2.758 -2.708 1.00 20.31 H new ATOM 0 HB3 LYS A 63 -6.579 -1.732 -2.606 1.00 20.31 H new ATOM 0 HG2 LYS A 63 -5.637 -2.854 -4.623 1.00 43.41 H new ATOM 0 HG3 LYS A 63 -7.074 -3.851 -4.730 1.00 43.41 H new ATOM 0 HD2 LYS A 63 -7.283 -0.828 -4.682 1.00 71.32 H new ATOM 0 HD3 LYS A 63 -6.939 -1.680 -6.174 1.00 71.32 H new ATOM 0 HE2 LYS A 63 -9.029 -2.740 -6.223 1.00 3.11 H new ATOM 0 HE3 LYS A 63 -9.254 -2.615 -4.489 1.00 3.11 H new ATOM 0 HZ1 LYS A 63 -10.689 -1.084 -5.672 1.00 72.22 H new ATOM 0 HZ2 LYS A 63 -9.571 -0.220 -4.730 1.00 72.22 H new ATOM 0 HZ3 LYS A 63 -9.352 -0.341 -6.410 1.00 72.22 H new ATOM 881 N LYS A 64 -6.198 -5.822 -3.384 1.00 30.44 N ATOM 882 CA LYS A 64 -6.643 -7.151 -3.787 1.00 13.01 C ATOM 883 C LYS A 64 -6.154 -8.210 -2.804 1.00 74.22 C ATOM 884 O LYS A 64 -6.845 -9.196 -2.547 1.00 5.23 O ATOM 885 CB LYS A 64 -6.139 -7.475 -5.195 1.00 1.20 C ATOM 886 CG LYS A 64 -4.642 -7.283 -5.364 1.00 3.21 C ATOM 887 CD LYS A 64 -4.330 -6.133 -6.307 1.00 61.01 C ATOM 888 CE LYS A 64 -4.813 -6.424 -7.720 1.00 24.42 C ATOM 889 NZ LYS A 64 -3.737 -6.214 -8.728 1.00 22.32 N ATOM 0 H LYS A 64 -5.412 -5.459 -3.924 1.00 30.44 H new ATOM 0 HA LYS A 64 -7.733 -7.157 -3.788 1.00 13.01 H new ATOM 0 HB2 LYS A 64 -6.394 -8.507 -5.434 1.00 1.20 H new ATOM 0 HB3 LYS A 64 -6.661 -6.843 -5.913 1.00 1.20 H new ATOM 0 HG2 LYS A 64 -4.187 -7.092 -4.392 1.00 3.21 H new ATOM 0 HG3 LYS A 64 -4.198 -8.201 -5.749 1.00 3.21 H new ATOM 0 HD2 LYS A 64 -4.803 -5.222 -5.940 1.00 61.01 H new ATOM 0 HD3 LYS A 64 -3.255 -5.952 -6.319 1.00 61.01 H new ATOM 0 HE2 LYS A 64 -5.169 -7.453 -7.778 1.00 24.42 H new ATOM 0 HE3 LYS A 64 -5.661 -5.780 -7.954 1.00 24.42 H new ATOM 0 HZ1 LYS A 64 -4.106 -6.423 -9.678 1.00 22.32 H new ATOM 0 HZ2 LYS A 64 -3.415 -5.226 -8.691 1.00 22.32 H new ATOM 0 HZ3 LYS A 64 -2.938 -6.847 -8.520 1.00 22.32 H new ATOM 903 N GLU A 65 -4.961 -7.999 -2.258 1.00 41.41 N ATOM 904 CA GLU A 65 -4.382 -8.936 -1.303 1.00 65.02 C ATOM 905 C GLU A 65 -5.060 -8.814 0.058 1.00 24.54 C ATOM 906 O GLU A 65 -5.179 -9.794 0.794 1.00 33.51 O ATOM 907 CB GLU A 65 -2.878 -8.689 -1.160 1.00 72.14 C ATOM 908 CG GLU A 65 -2.021 -9.744 -1.839 1.00 21.43 C ATOM 909 CD GLU A 65 -1.045 -10.405 -0.885 1.00 4.55 C ATOM 910 OE1 GLU A 65 -0.591 -9.729 0.062 1.00 4.22 O ATOM 911 OE2 GLU A 65 -0.735 -11.598 -1.085 1.00 40.31 O ATOM 0 H GLU A 65 -4.377 -7.188 -2.461 1.00 41.41 H new ATOM 0 HA GLU A 65 -4.543 -9.946 -1.681 1.00 65.02 H new ATOM 0 HB2 GLU A 65 -2.637 -7.712 -1.579 1.00 72.14 H new ATOM 0 HB3 GLU A 65 -2.623 -8.653 -0.101 1.00 72.14 H new ATOM 0 HG2 GLU A 65 -2.667 -10.505 -2.277 1.00 21.43 H new ATOM 0 HG3 GLU A 65 -1.468 -9.285 -2.659 1.00 21.43 H new ATOM 918 N TYR A 66 -5.501 -7.605 0.387 1.00 61.41 N ATOM 919 CA TYR A 66 -6.164 -7.354 1.661 1.00 52.12 C ATOM 920 C TYR A 66 -7.536 -8.021 1.702 1.00 43.11 C ATOM 921 O TYR A 66 -7.847 -8.768 2.629 1.00 53.11 O ATOM 922 CB TYR A 66 -6.309 -5.849 1.896 1.00 71.50 C ATOM 923 CG TYR A 66 -6.931 -5.502 3.230 1.00 63.22 C ATOM 924 CD1 TYR A 66 -6.144 -5.338 4.363 1.00 22.03 C ATOM 925 CD2 TYR A 66 -8.305 -5.339 3.357 1.00 24.31 C ATOM 926 CE1 TYR A 66 -6.707 -5.021 5.584 1.00 33.53 C ATOM 927 CE2 TYR A 66 -8.877 -5.021 4.574 1.00 65.33 C ATOM 928 CZ TYR A 66 -8.074 -4.864 5.684 1.00 1.43 C ATOM 929 OH TYR A 66 -8.640 -4.548 6.898 1.00 21.32 O ATOM 0 H TYR A 66 -5.411 -6.783 -0.211 1.00 61.41 H new ATOM 0 HA TYR A 66 -5.549 -7.781 2.453 1.00 52.12 H new ATOM 0 HB2 TYR A 66 -5.326 -5.383 1.831 1.00 71.50 H new ATOM 0 HB3 TYR A 66 -6.917 -5.422 1.099 1.00 71.50 H new ATOM 0 HD1 TYR A 66 -5.074 -5.460 4.288 1.00 22.03 H new ATOM 0 HD2 TYR A 66 -8.937 -5.463 2.490 1.00 24.31 H new ATOM 0 HE1 TYR A 66 -6.081 -4.897 6.455 1.00 33.53 H new ATOM 0 HE2 TYR A 66 -9.947 -4.896 4.655 1.00 65.33 H new ATOM 0 HH TYR A 66 -9.244 -3.784 6.788 1.00 21.32 H new ATOM 939 N MET A 67 -8.351 -7.745 0.689 1.00 20.22 N ATOM 940 CA MET A 67 -9.689 -8.319 0.608 1.00 60.44 C ATOM 941 C MET A 67 -9.621 -9.836 0.458 1.00 55.13 C ATOM 942 O MET A 67 -10.424 -10.563 1.044 1.00 64.34 O ATOM 943 CB MET A 67 -10.457 -7.713 -0.568 1.00 42.33 C ATOM 944 CG MET A 67 -9.795 -7.953 -1.915 1.00 62.34 C ATOM 945 SD MET A 67 -10.459 -6.894 -3.215 1.00 24.03 S ATOM 946 CE MET A 67 -12.214 -7.205 -3.041 1.00 60.23 C ATOM 0 H MET A 67 -8.109 -7.128 -0.086 1.00 20.22 H new ATOM 0 HA MET A 67 -10.214 -8.086 1.534 1.00 60.44 H new ATOM 0 HB2 MET A 67 -11.464 -8.131 -0.588 1.00 42.33 H new ATOM 0 HB3 MET A 67 -10.560 -6.640 -0.409 1.00 42.33 H new ATOM 0 HG2 MET A 67 -8.723 -7.781 -1.824 1.00 62.34 H new ATOM 0 HG3 MET A 67 -9.927 -8.997 -2.199 1.00 62.34 H new ATOM 0 HE1 MET A 67 -12.737 -6.843 -3.926 1.00 60.23 H new ATOM 0 HE2 MET A 67 -12.385 -8.276 -2.932 1.00 60.23 H new ATOM 0 HE3 MET A 67 -12.590 -6.686 -2.159 1.00 60.23 H new ATOM 956 N ASP A 68 -8.661 -10.306 -0.330 1.00 44.20 N ATOM 957 CA ASP A 68 -8.488 -11.736 -0.556 1.00 73.11 C ATOM 958 C ASP A 68 -8.064 -12.442 0.728 1.00 31.00 C ATOM 959 O ASP A 68 -8.392 -13.609 0.944 1.00 14.54 O ATOM 960 CB ASP A 68 -7.451 -11.979 -1.653 1.00 64.41 C ATOM 961 CG ASP A 68 -7.012 -13.429 -1.724 1.00 53.02 C ATOM 962 OD1 ASP A 68 -6.093 -13.808 -0.969 1.00 44.15 O ATOM 963 OD2 ASP A 68 -7.588 -14.184 -2.535 1.00 73.33 O ATOM 0 H ASP A 68 -7.990 -9.717 -0.823 1.00 44.20 H new ATOM 0 HA ASP A 68 -9.446 -12.147 -0.875 1.00 73.11 H new ATOM 0 HB2 ASP A 68 -7.868 -11.681 -2.615 1.00 64.41 H new ATOM 0 HB3 ASP A 68 -6.581 -11.347 -1.473 1.00 64.41 H new ATOM 968 N SER A 69 -7.332 -11.727 1.576 1.00 20.13 N ATOM 969 CA SER A 69 -6.859 -12.286 2.837 1.00 65.51 C ATOM 970 C SER A 69 -8.012 -12.463 3.820 1.00 3.22 C ATOM 971 O SER A 69 -8.182 -13.530 4.409 1.00 70.13 O ATOM 972 CB SER A 69 -5.785 -11.384 3.449 1.00 53.13 C ATOM 973 OG SER A 69 -4.513 -11.649 2.884 1.00 71.24 O ATOM 0 H SER A 69 -7.054 -10.759 1.413 1.00 20.13 H new ATOM 0 HA SER A 69 -6.427 -13.265 2.632 1.00 65.51 H new ATOM 0 HB2 SER A 69 -6.048 -10.339 3.286 1.00 53.13 H new ATOM 0 HB3 SER A 69 -5.747 -11.539 4.527 1.00 53.13 H new ATOM 0 HG SER A 69 -4.402 -11.121 2.066 1.00 71.24 H new ATOM 979 N MET A 70 -8.801 -11.407 3.992 1.00 22.43 N ATOM 980 CA MET A 70 -9.939 -11.445 4.903 1.00 30.22 C ATOM 981 C MET A 70 -11.050 -12.330 4.348 1.00 34.41 C ATOM 982 O MET A 70 -11.661 -13.108 5.080 1.00 63.30 O ATOM 983 CB MET A 70 -10.471 -10.032 5.148 1.00 50.23 C ATOM 984 CG MET A 70 -10.892 -9.312 3.876 1.00 23.44 C ATOM 985 SD MET A 70 -11.353 -7.594 4.171 1.00 74.53 S ATOM 986 CE MET A 70 -13.140 -7.721 4.182 1.00 70.20 C ATOM 0 H MET A 70 -8.673 -10.516 3.513 1.00 22.43 H new ATOM 0 HA MET A 70 -9.601 -11.867 5.849 1.00 30.22 H new ATOM 0 HB2 MET A 70 -11.324 -10.086 5.825 1.00 50.23 H new ATOM 0 HB3 MET A 70 -9.702 -9.445 5.651 1.00 50.23 H new ATOM 0 HG2 MET A 70 -10.074 -9.346 3.156 1.00 23.44 H new ATOM 0 HG3 MET A 70 -11.734 -9.838 3.427 1.00 23.44 H new ATOM 0 HE1 MET A 70 -13.556 -6.945 4.824 1.00 70.20 H new ATOM 0 HE2 MET A 70 -13.520 -7.595 3.168 1.00 70.20 H new ATOM 0 HE3 MET A 70 -13.433 -8.700 4.560 1.00 70.20 H new ATOM 996 N ASN A 71 -11.308 -12.206 3.050 1.00 3.41 N ATOM 997 CA ASN A 71 -12.347 -12.994 2.398 1.00 64.25 C ATOM 998 C ASN A 71 -12.047 -14.486 2.508 1.00 70.12 C ATOM 999 O ASN A 71 -12.960 -15.309 2.567 1.00 22.12 O ATOM 1000 CB ASN A 71 -12.470 -12.595 0.926 1.00 53.22 C ATOM 1001 CG ASN A 71 -13.460 -13.463 0.172 1.00 3.24 C ATOM 1002 OD1 ASN A 71 -14.645 -13.502 0.502 1.00 12.42 O ATOM 1003 ND2 ASN A 71 -12.975 -14.165 -0.846 1.00 14.35 N ATOM 0 H ASN A 71 -10.811 -11.567 2.429 1.00 3.41 H new ATOM 0 HA ASN A 71 -13.292 -12.793 2.903 1.00 64.25 H new ATOM 0 HB2 ASN A 71 -12.781 -11.552 0.860 1.00 53.22 H new ATOM 0 HB3 ASN A 71 -11.492 -12.667 0.450 1.00 53.22 H new ATOM 0 HD21 ASN A 71 -13.592 -14.768 -1.390 1.00 14.35 H new ATOM 0 HD22 ASN A 71 -11.985 -14.101 -1.084 1.00 14.35 H new ATOM 1010 N GLU A 72 -10.762 -14.826 2.535 1.00 51.20 N ATOM 1011 CA GLU A 72 -10.343 -16.219 2.638 1.00 42.41 C ATOM 1012 C GLU A 72 -10.466 -16.719 4.074 1.00 34.21 C ATOM 1013 O GLU A 72 -10.840 -17.868 4.314 1.00 43.23 O ATOM 1014 CB GLU A 72 -8.900 -16.377 2.153 1.00 32.32 C ATOM 1015 CG GLU A 72 -8.427 -17.821 2.113 1.00 51.43 C ATOM 1016 CD GLU A 72 -7.440 -18.080 0.991 1.00 51.30 C ATOM 1017 OE1 GLU A 72 -7.889 -18.354 -0.142 1.00 31.53 O ATOM 1018 OE2 GLU A 72 -6.220 -18.008 1.245 1.00 22.23 O ATOM 0 H GLU A 72 -9.994 -14.157 2.487 1.00 51.20 H new ATOM 0 HA GLU A 72 -10.999 -16.817 2.006 1.00 42.41 H new ATOM 0 HB2 GLU A 72 -8.811 -15.947 1.156 1.00 32.32 H new ATOM 0 HB3 GLU A 72 -8.241 -15.805 2.807 1.00 32.32 H new ATOM 0 HG2 GLU A 72 -7.963 -18.074 3.066 1.00 51.43 H new ATOM 0 HG3 GLU A 72 -9.288 -18.478 1.994 1.00 51.43 H new ATOM 1025 N LYS A 73 -10.150 -15.849 5.027 1.00 63.10 N ATOM 1026 CA LYS A 73 -10.225 -16.200 6.440 1.00 31.12 C ATOM 1027 C LYS A 73 -11.676 -16.332 6.891 1.00 32.43 C ATOM 1028 O LYS A 73 -12.010 -17.204 7.693 1.00 34.53 O ATOM 1029 CB LYS A 73 -9.510 -15.145 7.288 1.00 75.13 C ATOM 1030 CG LYS A 73 -8.417 -15.716 8.174 1.00 43.51 C ATOM 1031 CD LYS A 73 -7.035 -15.398 7.628 1.00 4.33 C ATOM 1032 CE LYS A 73 -6.691 -13.927 7.805 1.00 44.45 C ATOM 1033 NZ LYS A 73 -5.669 -13.474 6.820 1.00 22.22 N ATOM 0 H LYS A 73 -9.839 -14.895 4.846 1.00 63.10 H new ATOM 0 HA LYS A 73 -9.731 -17.162 6.576 1.00 31.12 H new ATOM 0 HB2 LYS A 73 -9.076 -14.394 6.628 1.00 75.13 H new ATOM 0 HB3 LYS A 73 -10.243 -14.635 7.913 1.00 75.13 H new ATOM 0 HG2 LYS A 73 -8.514 -15.310 9.181 1.00 43.51 H new ATOM 0 HG3 LYS A 73 -8.538 -16.796 8.253 1.00 43.51 H new ATOM 0 HD2 LYS A 73 -6.291 -16.011 8.138 1.00 4.33 H new ATOM 0 HD3 LYS A 73 -6.992 -15.658 6.570 1.00 4.33 H new ATOM 0 HE2 LYS A 73 -7.594 -13.327 7.693 1.00 44.45 H new ATOM 0 HE3 LYS A 73 -6.320 -13.760 8.816 1.00 44.45 H new ATOM 0 HZ1 LYS A 73 -4.987 -12.847 7.292 1.00 22.22 H new ATOM 0 HZ2 LYS A 73 -5.170 -14.300 6.433 1.00 22.22 H new ATOM 0 HZ3 LYS A 73 -6.136 -12.958 6.047 1.00 22.22 H new ATOM 1047 N VAL A 74 -12.535 -15.462 6.370 1.00 70.13 N ATOM 1048 CA VAL A 74 -13.951 -15.484 6.717 1.00 41.41 C ATOM 1049 C VAL A 74 -14.681 -16.600 5.979 1.00 22.31 C ATOM 1050 O VAL A 74 -15.588 -17.229 6.524 1.00 42.30 O ATOM 1051 CB VAL A 74 -14.629 -14.139 6.392 1.00 70.55 C ATOM 1052 CG1 VAL A 74 -14.033 -13.023 7.235 1.00 40.44 C ATOM 1053 CG2 VAL A 74 -14.503 -13.825 4.909 1.00 43.34 C ATOM 0 H VAL A 74 -12.275 -14.733 5.706 1.00 70.13 H new ATOM 0 HA VAL A 74 -14.011 -15.663 7.790 1.00 41.41 H new ATOM 0 HB VAL A 74 -15.689 -14.217 6.635 1.00 70.55 H new ATOM 0 HG11 VAL A 74 -14.524 -12.081 6.991 1.00 40.44 H new ATOM 0 HG12 VAL A 74 -14.180 -13.247 8.292 1.00 40.44 H new ATOM 0 HG13 VAL A 74 -12.966 -12.940 7.027 1.00 40.44 H new ATOM 0 HG21 VAL A 74 -14.987 -12.872 4.696 1.00 43.34 H new ATOM 0 HG22 VAL A 74 -13.449 -13.765 4.638 1.00 43.34 H new ATOM 0 HG23 VAL A 74 -14.983 -14.613 4.328 1.00 43.34 H new ATOM 1063 N ALA A 75 -14.278 -16.842 4.736 1.00 72.41 N ATOM 1064 CA ALA A 75 -14.892 -17.885 3.924 1.00 71.44 C ATOM 1065 C ALA A 75 -14.624 -19.267 4.510 1.00 64.22 C ATOM 1066 O ALA A 75 -15.501 -20.131 4.516 1.00 23.14 O ATOM 1067 CB ALA A 75 -14.381 -17.809 2.492 1.00 15.23 C ATOM 0 H ALA A 75 -13.529 -16.330 4.270 1.00 72.41 H new ATOM 0 HA ALA A 75 -15.970 -17.722 3.923 1.00 71.44 H new ATOM 0 HB1 ALA A 75 -14.848 -18.594 1.897 1.00 15.23 H new ATOM 0 HB2 ALA A 75 -14.629 -16.836 2.068 1.00 15.23 H new ATOM 0 HB3 ALA A 75 -13.299 -17.943 2.484 1.00 15.23 H new ATOM 1073 N VAL A 76 -13.405 -19.470 5.001 1.00 32.11 N ATOM 1074 CA VAL A 76 -13.021 -20.747 5.590 1.00 33.41 C ATOM 1075 C VAL A 76 -13.629 -20.918 6.978 1.00 53.43 C ATOM 1076 O VAL A 76 -14.118 -21.992 7.325 1.00 60.43 O ATOM 1077 CB VAL A 76 -11.490 -20.881 5.693 1.00 52.44 C ATOM 1078 CG1 VAL A 76 -10.919 -19.797 6.594 1.00 0.22 C ATOM 1079 CG2 VAL A 76 -11.109 -22.263 6.200 1.00 61.24 C ATOM 0 H VAL A 76 -12.667 -18.766 5.002 1.00 32.11 H new ATOM 0 HA VAL A 76 -13.403 -21.526 4.930 1.00 33.41 H new ATOM 0 HB VAL A 76 -11.064 -20.755 4.698 1.00 52.44 H new ATOM 0 HG11 VAL A 76 -9.836 -19.907 6.655 1.00 0.22 H new ATOM 0 HG12 VAL A 76 -11.161 -18.817 6.183 1.00 0.22 H new ATOM 0 HG13 VAL A 76 -11.350 -19.888 7.591 1.00 0.22 H new ATOM 0 HG21 VAL A 76 -10.024 -22.340 6.266 1.00 61.24 H new ATOM 0 HG22 VAL A 76 -11.545 -22.422 7.186 1.00 61.24 H new ATOM 0 HG23 VAL A 76 -11.485 -23.020 5.511 1.00 61.24 H new ATOM 1089 N MET A 77 -13.596 -19.849 7.767 1.00 22.25 N ATOM 1090 CA MET A 77 -14.146 -19.880 9.118 1.00 64.02 C ATOM 1091 C MET A 77 -15.665 -20.015 9.083 1.00 3.14 C ATOM 1092 O MET A 77 -16.232 -20.911 9.709 1.00 1.41 O ATOM 1093 CB MET A 77 -13.751 -18.614 9.881 1.00 35.00 C ATOM 1094 CG MET A 77 -12.308 -18.616 10.358 1.00 71.42 C ATOM 1095 SD MET A 77 -11.995 -19.867 11.619 1.00 53.51 S ATOM 1096 CE MET A 77 -10.758 -20.871 10.801 1.00 40.52 C ATOM 0 H MET A 77 -13.195 -18.952 7.495 1.00 22.25 H new ATOM 0 HA MET A 77 -13.734 -20.748 9.632 1.00 64.02 H new ATOM 0 HB2 MET A 77 -13.911 -17.748 9.239 1.00 35.00 H new ATOM 0 HB3 MET A 77 -14.409 -18.499 10.742 1.00 35.00 H new ATOM 0 HG2 MET A 77 -11.649 -18.790 9.508 1.00 71.42 H new ATOM 0 HG3 MET A 77 -12.060 -17.633 10.758 1.00 71.42 H new ATOM 0 HE1 MET A 77 -10.462 -21.690 11.457 1.00 40.52 H new ATOM 0 HE2 MET A 77 -11.171 -21.277 9.878 1.00 40.52 H new ATOM 0 HE3 MET A 77 -9.887 -20.258 10.570 1.00 40.52 H new ATOM 1106 N ARG A 78 -16.317 -19.120 8.349 1.00 12.32 N ATOM 1107 CA ARG A 78 -17.771 -19.139 8.235 1.00 4.51 C ATOM 1108 C ARG A 78 -18.256 -20.478 7.688 1.00 44.32 C ATOM 1109 O ARG A 78 -19.271 -21.010 8.133 1.00 33.12 O ATOM 1110 CB ARG A 78 -18.247 -18.002 7.328 1.00 20.23 C ATOM 1111 CG ARG A 78 -19.728 -17.691 7.469 1.00 71.33 C ATOM 1112 CD ARG A 78 -20.548 -18.385 6.392 1.00 65.31 C ATOM 1113 NE ARG A 78 -21.955 -17.999 6.441 1.00 50.10 N ATOM 1114 CZ ARG A 78 -22.880 -18.486 5.621 1.00 42.41 C ATOM 1115 NH1 ARG A 78 -22.547 -19.373 4.694 1.00 73.04 N ATOM 1116 NH2 ARG A 78 -24.140 -18.085 5.728 1.00 52.12 N ATOM 0 H ARG A 78 -15.862 -18.373 7.824 1.00 12.32 H new ATOM 0 HA ARG A 78 -18.191 -19.000 9.231 1.00 4.51 H new ATOM 0 HB2 ARG A 78 -17.672 -17.104 7.554 1.00 20.23 H new ATOM 0 HB3 ARG A 78 -18.036 -18.263 6.291 1.00 20.23 H new ATOM 0 HG2 ARG A 78 -20.075 -18.007 8.453 1.00 71.33 H new ATOM 0 HG3 ARG A 78 -19.882 -16.614 7.408 1.00 71.33 H new ATOM 0 HD2 ARG A 78 -20.139 -18.141 5.412 1.00 65.31 H new ATOM 0 HD3 ARG A 78 -20.464 -19.465 6.512 1.00 65.31 H new ATOM 0 HE ARG A 78 -22.244 -17.318 7.143 1.00 50.10 H new ATOM 0 HH11 ARG A 78 -21.579 -19.683 4.609 1.00 73.04 H new ATOM 0 HH12 ARG A 78 -23.259 -19.746 4.066 1.00 73.04 H new ATOM 0 HH21 ARG A 78 -24.399 -17.402 6.440 1.00 52.12 H new ATOM 0 HH22 ARG A 78 -24.850 -18.459 5.098 1.00 52.12 H new ATOM 1130 N ASN A 79 -17.522 -21.016 6.719 1.00 40.10 N ATOM 1131 CA ASN A 79 -17.878 -22.292 6.110 1.00 60.41 C ATOM 1132 C ASN A 79 -17.858 -23.413 7.145 1.00 74.21 C ATOM 1133 O ASN A 79 -18.803 -24.197 7.246 1.00 65.51 O ATOM 1134 CB ASN A 79 -16.916 -22.622 4.967 1.00 41.32 C ATOM 1135 CG ASN A 79 -17.352 -22.009 3.650 1.00 62.43 C ATOM 1136 OD1 ASN A 79 -18.057 -21.001 3.625 1.00 40.44 O ATOM 1137 ND2 ASN A 79 -16.933 -22.619 2.547 1.00 41.13 N ATOM 0 H ASN A 79 -16.678 -20.588 6.339 1.00 40.10 H new ATOM 0 HA ASN A 79 -18.889 -22.206 5.712 1.00 60.41 H new ATOM 0 HB2 ASN A 79 -15.919 -22.262 5.220 1.00 41.32 H new ATOM 0 HB3 ASN A 79 -16.846 -23.704 4.856 1.00 41.32 H new ATOM 0 HD21 ASN A 79 -17.195 -22.254 1.631 1.00 41.13 H new ATOM 0 HD22 ASN A 79 -16.349 -23.453 2.616 1.00 41.13 H new ATOM 1144 N THR A 80 -16.776 -23.483 7.914 1.00 41.24 N ATOM 1145 CA THR A 80 -16.632 -24.507 8.940 1.00 12.14 C ATOM 1146 C THR A 80 -17.755 -24.417 9.968 1.00 42.13 C ATOM 1147 O THR A 80 -18.092 -25.404 10.621 1.00 31.42 O ATOM 1148 CB THR A 80 -15.278 -24.390 9.665 1.00 0.21 C ATOM 1149 OG1 THR A 80 -14.797 -23.043 9.590 1.00 60.12 O ATOM 1150 CG2 THR A 80 -14.254 -25.334 9.054 1.00 21.33 C ATOM 0 H THR A 80 -15.986 -22.842 7.845 1.00 41.24 H new ATOM 0 HA THR A 80 -16.682 -25.471 8.433 1.00 12.14 H new ATOM 0 HB THR A 80 -15.425 -24.665 10.709 1.00 0.21 H new ATOM 0 HG1 THR A 80 -15.533 -22.422 9.771 1.00 60.12 H new ATOM 0 HG21 THR A 80 -13.306 -25.234 9.582 1.00 21.33 H new ATOM 0 HG22 THR A 80 -14.610 -26.361 9.139 1.00 21.33 H new ATOM 0 HG23 THR A 80 -14.111 -25.085 8.002 1.00 21.33 H new ATOM 1158 N TYR A 81 -18.331 -23.228 10.105 1.00 5.30 N ATOM 1159 CA TYR A 81 -19.415 -23.009 11.055 1.00 40.32 C ATOM 1160 C TYR A 81 -20.720 -23.606 10.538 1.00 15.32 C ATOM 1161 O TYR A 81 -21.426 -24.304 11.264 1.00 35.21 O ATOM 1162 CB TYR A 81 -19.595 -21.513 11.320 1.00 42.04 C ATOM 1163 CG TYR A 81 -20.978 -21.146 11.808 1.00 71.52 C ATOM 1164 CD1 TYR A 81 -21.462 -21.636 13.015 1.00 73.23 C ATOM 1165 CD2 TYR A 81 -21.801 -20.312 11.062 1.00 11.43 C ATOM 1166 CE1 TYR A 81 -22.726 -21.305 13.465 1.00 43.33 C ATOM 1167 CE2 TYR A 81 -23.065 -19.974 11.505 1.00 12.31 C ATOM 1168 CZ TYR A 81 -23.523 -20.473 12.707 1.00 51.24 C ATOM 1169 OH TYR A 81 -24.782 -20.140 13.151 1.00 53.35 O ATOM 0 H TYR A 81 -18.065 -22.401 9.570 1.00 5.30 H new ATOM 0 HA TYR A 81 -19.153 -23.507 11.988 1.00 40.32 H new ATOM 0 HB2 TYR A 81 -18.861 -21.193 12.060 1.00 42.04 H new ATOM 0 HB3 TYR A 81 -19.385 -20.962 10.403 1.00 42.04 H new ATOM 0 HD1 TYR A 81 -20.840 -22.287 13.612 1.00 73.23 H new ATOM 0 HD2 TYR A 81 -21.447 -19.921 10.120 1.00 11.43 H new ATOM 0 HE1 TYR A 81 -23.088 -21.696 14.405 1.00 43.33 H new ATOM 0 HE2 TYR A 81 -23.691 -19.323 10.914 1.00 12.31 H new ATOM 0 HH TYR A 81 -25.212 -19.546 12.501 1.00 53.35 H new ATOM 1179 N ASN A 82 -21.034 -23.325 9.277 1.00 22.04 N ATOM 1180 CA ASN A 82 -22.254 -23.834 8.662 1.00 51.33 C ATOM 1181 C ASN A 82 -22.107 -25.309 8.301 1.00 53.21 C ATOM 1182 O ASN A 82 -23.097 -26.031 8.177 1.00 20.20 O ATOM 1183 CB ASN A 82 -22.595 -23.022 7.410 1.00 20.40 C ATOM 1184 CG ASN A 82 -23.771 -23.602 6.648 1.00 14.33 C ATOM 1185 OD1 ASN A 82 -23.595 -24.368 5.701 1.00 52.21 O ATOM 1186 ND2 ASN A 82 -24.980 -23.237 7.060 1.00 11.20 N ATOM 0 H ASN A 82 -20.460 -22.748 8.662 1.00 22.04 H new ATOM 0 HA ASN A 82 -23.065 -23.734 9.384 1.00 51.33 H new ATOM 0 HB2 ASN A 82 -22.822 -21.995 7.697 1.00 20.40 H new ATOM 0 HB3 ASN A 82 -21.724 -22.985 6.756 1.00 20.40 H new ATOM 0 HD21 ASN A 82 -25.810 -23.594 6.586 1.00 11.20 H new ATOM 0 HD22 ASN A 82 -25.079 -22.599 7.850 1.00 11.20 H new ATOM 1193 N THR A 83 -20.865 -25.751 8.134 1.00 44.23 N ATOM 1194 CA THR A 83 -20.587 -27.139 7.787 1.00 53.12 C ATOM 1195 C THR A 83 -20.601 -28.028 9.025 1.00 74.43 C ATOM 1196 O THR A 83 -21.173 -29.119 9.011 1.00 51.43 O ATOM 1197 CB THR A 83 -19.225 -27.280 7.082 1.00 22.53 C ATOM 1198 OG1 THR A 83 -19.381 -27.091 5.672 1.00 43.44 O ATOM 1199 CG2 THR A 83 -18.616 -28.649 7.351 1.00 54.42 C ATOM 0 H THR A 83 -20.035 -25.167 8.234 1.00 44.23 H new ATOM 0 HA THR A 83 -21.375 -27.458 7.105 1.00 53.12 H new ATOM 0 HB THR A 83 -18.555 -26.517 7.478 1.00 22.53 H new ATOM 0 HG1 THR A 83 -18.510 -27.181 5.232 1.00 43.44 H new ATOM 0 HG21 THR A 83 -17.655 -28.726 6.843 1.00 54.42 H new ATOM 0 HG22 THR A 83 -18.471 -28.778 8.424 1.00 54.42 H new ATOM 0 HG23 THR A 83 -19.286 -29.425 6.979 1.00 54.42 H new ATOM 1207 N ARG A 84 -19.969 -27.556 10.094 1.00 35.12 N ATOM 1208 CA ARG A 84 -19.909 -28.310 11.341 1.00 53.32 C ATOM 1209 C ARG A 84 -21.282 -28.372 12.005 1.00 64.51 C ATOM 1210 O ARG A 84 -21.648 -29.383 12.605 1.00 64.40 O ATOM 1211 CB ARG A 84 -18.897 -27.676 12.296 1.00 1.35 C ATOM 1212 CG ARG A 84 -17.450 -27.923 11.903 1.00 41.14 C ATOM 1213 CD ARG A 84 -16.975 -29.294 12.358 1.00 0.22 C ATOM 1214 NE ARG A 84 -16.374 -29.251 13.688 1.00 2.55 N ATOM 1215 CZ ARG A 84 -15.668 -30.248 14.209 1.00 71.42 C ATOM 1216 NH1 ARG A 84 -15.476 -31.361 13.514 1.00 23.44 N ATOM 1217 NH2 ARG A 84 -15.153 -30.134 15.426 1.00 4.12 N ATOM 0 H ARG A 84 -19.491 -26.655 10.122 1.00 35.12 H new ATOM 0 HA ARG A 84 -19.591 -29.326 11.108 1.00 53.32 H new ATOM 0 HB2 ARG A 84 -19.075 -26.601 12.339 1.00 1.35 H new ATOM 0 HB3 ARG A 84 -19.064 -28.067 13.300 1.00 1.35 H new ATOM 0 HG2 ARG A 84 -17.347 -27.842 10.821 1.00 41.14 H new ATOM 0 HG3 ARG A 84 -16.816 -27.153 12.342 1.00 41.14 H new ATOM 0 HD2 ARG A 84 -17.817 -29.986 12.363 1.00 0.22 H new ATOM 0 HD3 ARG A 84 -16.248 -29.681 11.644 1.00 0.22 H new ATOM 0 HE ARG A 84 -16.504 -28.408 14.248 1.00 2.55 H new ATOM 0 HH11 ARG A 84 -15.871 -31.452 12.578 1.00 23.44 H new ATOM 0 HH12 ARG A 84 -14.934 -32.126 13.916 1.00 23.44 H new ATOM 0 HH21 ARG A 84 -15.299 -29.279 15.964 1.00 4.12 H new ATOM 0 HH22 ARG A 84 -14.611 -30.901 15.824 1.00 4.12 H new ATOM 1231 N LYS A 85 -22.037 -27.285 11.894 1.00 72.22 N ATOM 1232 CA LYS A 85 -23.369 -27.215 12.482 1.00 35.31 C ATOM 1233 C LYS A 85 -24.390 -27.933 11.604 1.00 11.43 C ATOM 1234 O LYS A 85 -25.418 -28.403 12.090 1.00 60.14 O ATOM 1235 CB LYS A 85 -23.786 -25.756 12.679 1.00 35.13 C ATOM 1236 CG LYS A 85 -24.213 -25.067 11.395 1.00 40.41 C ATOM 1237 CD LYS A 85 -24.396 -23.572 11.599 1.00 75.03 C ATOM 1238 CE LYS A 85 -25.562 -23.037 10.781 1.00 43.23 C ATOM 1239 NZ LYS A 85 -26.875 -23.404 11.380 1.00 42.05 N ATOM 0 H LYS A 85 -21.749 -26.439 11.402 1.00 72.22 H new ATOM 0 HA LYS A 85 -23.337 -27.711 13.452 1.00 35.31 H new ATOM 0 HB2 LYS A 85 -24.608 -25.715 13.394 1.00 35.13 H new ATOM 0 HB3 LYS A 85 -22.954 -25.205 13.118 1.00 35.13 H new ATOM 0 HG2 LYS A 85 -23.465 -25.241 10.622 1.00 40.41 H new ATOM 0 HG3 LYS A 85 -25.146 -25.504 11.040 1.00 40.41 H new ATOM 0 HD2 LYS A 85 -24.566 -23.366 12.656 1.00 75.03 H new ATOM 0 HD3 LYS A 85 -23.482 -23.050 11.316 1.00 75.03 H new ATOM 0 HE2 LYS A 85 -25.487 -21.952 10.708 1.00 43.23 H new ATOM 0 HE3 LYS A 85 -25.504 -23.430 9.766 1.00 43.23 H new ATOM 0 HZ1 LYS A 85 -27.607 -23.398 10.642 1.00 42.05 H new ATOM 0 HZ2 LYS A 85 -26.813 -24.354 11.798 1.00 42.05 H new ATOM 0 HZ3 LYS A 85 -27.123 -22.716 12.120 1.00 42.05 H new ATOM 1253 N ASN A 86 -24.098 -28.013 10.310 1.00 31.22 N ATOM 1254 CA ASN A 86 -24.991 -28.674 9.365 1.00 24.41 C ATOM 1255 C ASN A 86 -25.220 -30.130 9.760 1.00 24.13 C ATOM 1256 O ASN A 86 -26.338 -30.638 9.678 1.00 44.22 O ATOM 1257 CB ASN A 86 -24.412 -28.603 7.950 1.00 34.23 C ATOM 1258 CG ASN A 86 -25.145 -27.604 7.076 1.00 3.41 C ATOM 1259 OD1 ASN A 86 -25.741 -26.648 7.573 1.00 51.25 O ATOM 1260 ND2 ASN A 86 -25.103 -27.821 5.767 1.00 44.33 N ATOM 0 H ASN A 86 -23.251 -27.629 9.892 1.00 31.22 H new ATOM 0 HA ASN A 86 -25.950 -28.156 9.385 1.00 24.41 H new ATOM 0 HB2 ASN A 86 -23.358 -28.330 8.005 1.00 34.23 H new ATOM 0 HB3 ASN A 86 -24.462 -29.590 7.490 1.00 34.23 H new ATOM 0 HD21 ASN A 86 -25.577 -27.182 5.129 1.00 44.33 H new ATOM 0 HD22 ASN A 86 -24.597 -28.627 5.400 1.00 44.33 H new ATOM 1267 N ALA A 87 -24.153 -30.796 10.190 1.00 3.43 N ATOM 1268 CA ALA A 87 -24.237 -32.192 10.601 1.00 54.41 C ATOM 1269 C ALA A 87 -24.999 -32.332 11.915 1.00 62.24 C ATOM 1270 O ALA A 87 -25.754 -33.285 12.107 1.00 32.12 O ATOM 1271 CB ALA A 87 -22.844 -32.789 10.730 1.00 72.44 C ATOM 0 H ALA A 87 -23.220 -30.391 10.263 1.00 3.43 H new ATOM 0 HA ALA A 87 -24.785 -32.739 9.833 1.00 54.41 H new ATOM 0 HB1 ALA A 87 -22.922 -33.832 11.038 1.00 72.44 H new ATOM 0 HB2 ALA A 87 -22.333 -32.731 9.769 1.00 72.44 H new ATOM 0 HB3 ALA A 87 -22.277 -32.232 11.476 1.00 72.44 H new ATOM 1277 N VAL A 88 -24.795 -31.377 12.817 1.00 62.43 N ATOM 1278 CA VAL A 88 -25.463 -31.395 14.113 1.00 45.23 C ATOM 1279 C VAL A 88 -26.967 -31.207 13.958 1.00 15.30 C ATOM 1280 O VAL A 88 -27.760 -31.975 14.504 1.00 74.14 O ATOM 1281 CB VAL A 88 -24.912 -30.297 15.043 1.00 61.25 C ATOM 1282 CG1 VAL A 88 -25.642 -30.312 16.377 1.00 42.00 C ATOM 1283 CG2 VAL A 88 -23.414 -30.471 15.243 1.00 70.22 C ATOM 0 H VAL A 88 -24.173 -30.582 12.674 1.00 62.43 H new ATOM 0 HA VAL A 88 -25.266 -32.370 14.558 1.00 45.23 H new ATOM 0 HB VAL A 88 -25.082 -29.328 14.574 1.00 61.25 H new ATOM 0 HG11 VAL A 88 -25.240 -29.530 17.021 1.00 42.00 H new ATOM 0 HG12 VAL A 88 -26.705 -30.135 16.212 1.00 42.00 H new ATOM 0 HG13 VAL A 88 -25.506 -31.282 16.856 1.00 42.00 H new ATOM 0 HG21 VAL A 88 -23.041 -29.687 15.902 1.00 70.22 H new ATOM 0 HG22 VAL A 88 -23.217 -31.445 15.690 1.00 70.22 H new ATOM 0 HG23 VAL A 88 -22.908 -30.405 14.280 1.00 70.22 H new ATOM 1293 N THR A 89 -27.356 -30.179 13.210 1.00 52.14 N ATOM 1294 CA THR A 89 -28.766 -29.889 12.983 1.00 53.41 C ATOM 1295 C THR A 89 -29.410 -30.948 12.096 1.00 50.01 C ATOM 1296 O THR A 89 -30.606 -31.219 12.204 1.00 5.23 O ATOM 1297 CB THR A 89 -28.958 -28.505 12.333 1.00 64.44 C ATOM 1298 OG1 THR A 89 -30.351 -28.184 12.265 1.00 74.51 O ATOM 1299 CG2 THR A 89 -28.357 -28.477 10.935 1.00 1.43 C ATOM 0 H THR A 89 -26.714 -29.533 12.751 1.00 52.14 H new ATOM 0 HA THR A 89 -29.250 -29.894 13.960 1.00 53.41 H new ATOM 0 HB THR A 89 -28.445 -27.765 12.948 1.00 64.44 H new ATOM 0 HG1 THR A 89 -30.464 -27.302 11.852 1.00 74.51 H new ATOM 0 HG21 THR A 89 -28.504 -27.491 10.495 1.00 1.43 H new ATOM 0 HG22 THR A 89 -27.290 -28.693 10.993 1.00 1.43 H new ATOM 0 HG23 THR A 89 -28.846 -29.228 10.314 1.00 1.43 H new ATOM 1307 N ALA A 90 -28.610 -31.545 11.219 1.00 45.12 N ATOM 1308 CA ALA A 90 -29.101 -32.577 10.315 1.00 74.12 C ATOM 1309 C ALA A 90 -29.774 -33.708 11.086 1.00 5.33 C ATOM 1310 O ALA A 90 -30.246 -34.680 10.496 1.00 52.33 O ATOM 1311 CB ALA A 90 -27.963 -33.120 9.464 1.00 4.02 C ATOM 0 H ALA A 90 -27.618 -31.331 11.115 1.00 45.12 H new ATOM 0 HA ALA A 90 -29.846 -32.126 9.660 1.00 74.12 H new ATOM 0 HB1 ALA A 90 -28.345 -33.890 8.794 1.00 4.02 H new ATOM 0 HB2 ALA A 90 -27.529 -32.310 8.877 1.00 4.02 H new ATOM 0 HB3 ALA A 90 -27.198 -33.549 10.111 1.00 4.02 H new TER 1317 ALA A 90