USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 700 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 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 180:sc= 0 USER MOD Single : A 5 SER OG : rot 15:sc= 1.19 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0791 USER MOD Single : A 13 THR OG1 : rot -150:sc= -0.197 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot -61:sc= 1.02 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.662 K(o=-0.66,f=-0.046) USER MOD Single : A 33 GLN : amide:sc= -0.0678 K(o=-0.068,f=-3.3!) USER MOD Single : A 37 CYS SG : rot 82:sc= 0.765 USER MOD Single : A 38 TYR OH : rot 180:sc= -0.342 USER MOD Single : A 39 GLN : amide:sc=-0.00656 X(o=-0.0066,f=0) USER MOD Single : A 44 MET CE :methyl 176:sc= -0.914 (180deg=-1.01) USER MOD Single : A 47 GLN : amide:sc= -0.109 X(o=-0.11,f=-0.58) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -100:sc= -0.409 USER MOD Single : A 53 LYS NZ :NH3+ -167:sc=-0.00168 (180deg=-0.0642) USER MOD Single : A 55 SER OG : rot 180:sc= -0.0174 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -107:sc= 0.928 USER MOD Single : A 68 TYR OH : rot 30:sc= 0 USER MOD Single : A 69 MET CE :methyl -134:sc=-0.00176 (180deg=-0.103) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot -63:sc= 0.495 USER MOD Single : A 81 GLN : amide:sc= -1.03 K(o=-1,f=-1.7) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -31.002 29.361 1.294 1.00 0.00 N ATOM 2 CA GLY A 1 -30.179 29.082 0.130 1.00 0.00 C ATOM 3 C GLY A 1 -31.043 28.699 -1.073 1.00 0.00 C ATOM 4 O GLY A 1 -31.346 29.541 -1.917 1.00 0.00 O ATOM 0 H1 GLY A 1 -30.393 29.618 2.096 1.00 0.00 H new ATOM 0 H2 GLY A 1 -31.647 30.149 1.082 1.00 0.00 H new ATOM 0 H3 GLY A 1 -31.557 28.516 1.538 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -29.578 29.958 -0.113 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -29.485 28.273 0.356 1.00 0.00 H new ATOM 8 N SER A 2 -31.416 27.428 -1.113 1.00 0.00 N ATOM 9 CA SER A 2 -32.240 26.924 -2.198 1.00 0.00 C ATOM 10 C SER A 2 -32.545 25.441 -1.978 1.00 0.00 C ATOM 11 O SER A 2 -33.708 25.048 -1.895 1.00 0.00 O ATOM 12 CB SER A 2 -31.555 27.129 -3.551 1.00 0.00 C ATOM 13 OG SER A 2 -32.391 26.740 -4.637 1.00 0.00 O ATOM 0 H SER A 2 -31.163 26.732 -0.411 1.00 0.00 H new ATOM 0 HA SER A 2 -33.175 27.484 -2.206 1.00 0.00 H new ATOM 0 HB2 SER A 2 -31.280 28.178 -3.663 1.00 0.00 H new ATOM 0 HB3 SER A 2 -30.631 26.552 -3.580 1.00 0.00 H new ATOM 0 HG SER A 2 -31.919 26.888 -5.483 1.00 0.00 H new ATOM 19 N SER A 3 -31.481 24.657 -1.889 1.00 0.00 N ATOM 20 CA SER A 3 -31.620 23.226 -1.680 1.00 0.00 C ATOM 21 C SER A 3 -30.718 22.775 -0.530 1.00 0.00 C ATOM 22 O SER A 3 -31.195 22.209 0.453 1.00 0.00 O ATOM 23 CB SER A 3 -31.286 22.448 -2.954 1.00 0.00 C ATOM 24 OG SER A 3 -32.264 21.453 -3.245 1.00 0.00 O ATOM 0 H SER A 3 -30.518 24.986 -1.958 1.00 0.00 H new ATOM 0 HA SER A 3 -32.658 23.017 -1.422 1.00 0.00 H new ATOM 0 HB2 SER A 3 -31.213 23.140 -3.793 1.00 0.00 H new ATOM 0 HB3 SER A 3 -30.310 21.976 -2.845 1.00 0.00 H new ATOM 0 HG SER A 3 -32.015 20.980 -4.066 1.00 0.00 H new ATOM 30 N GLY A 4 -29.430 23.041 -0.691 1.00 0.00 N ATOM 31 CA GLY A 4 -28.457 22.670 0.321 1.00 0.00 C ATOM 32 C GLY A 4 -28.111 23.863 1.214 1.00 0.00 C ATOM 33 O GLY A 4 -29.000 24.578 1.673 1.00 0.00 O ATOM 0 H GLY A 4 -29.038 23.509 -1.508 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -28.853 21.858 0.931 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -27.553 22.296 -0.159 1.00 0.00 H new ATOM 37 N SER A 5 -26.816 24.043 1.432 1.00 0.00 N ATOM 38 CA SER A 5 -26.341 25.138 2.261 1.00 0.00 C ATOM 39 C SER A 5 -24.818 25.244 2.165 1.00 0.00 C ATOM 40 O SER A 5 -24.154 24.312 1.714 1.00 0.00 O ATOM 41 CB SER A 5 -26.770 24.951 3.718 1.00 0.00 C ATOM 42 OG SER A 5 -28.122 25.348 3.931 1.00 0.00 O ATOM 0 H SER A 5 -26.081 23.449 1.049 1.00 0.00 H new ATOM 0 HA SER A 5 -26.787 26.063 1.895 1.00 0.00 H new ATOM 0 HB2 SER A 5 -26.651 23.905 4.000 1.00 0.00 H new ATOM 0 HB3 SER A 5 -26.115 25.533 4.366 1.00 0.00 H new ATOM 0 HG SER A 5 -28.578 25.434 3.068 1.00 0.00 H new ATOM 48 N SER A 6 -24.309 26.389 2.597 1.00 0.00 N ATOM 49 CA SER A 6 -22.876 26.629 2.566 1.00 0.00 C ATOM 50 C SER A 6 -22.373 26.607 1.121 1.00 0.00 C ATOM 51 O SER A 6 -22.920 25.895 0.280 1.00 0.00 O ATOM 52 CB SER A 6 -22.125 25.593 3.405 1.00 0.00 C ATOM 53 OG SER A 6 -22.431 25.706 4.792 1.00 0.00 O ATOM 0 H SER A 6 -24.863 27.160 2.970 1.00 0.00 H new ATOM 0 HA SER A 6 -22.685 27.612 2.996 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.380 24.592 3.058 1.00 0.00 H new ATOM 0 HB3 SER A 6 -21.052 25.717 3.259 1.00 0.00 H new ATOM 0 HG SER A 6 -21.933 25.027 5.293 1.00 0.00 H new ATOM 59 N GLY A 7 -21.337 27.396 0.876 1.00 0.00 N ATOM 60 CA GLY A 7 -20.754 27.476 -0.452 1.00 0.00 C ATOM 61 C GLY A 7 -20.059 26.165 -0.826 1.00 0.00 C ATOM 62 O GLY A 7 -18.931 25.914 -0.404 1.00 0.00 O ATOM 0 H GLY A 7 -20.886 27.986 1.576 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -21.532 27.700 -1.182 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.036 28.296 -0.489 1.00 0.00 H new ATOM 66 N GLN A 8 -20.761 25.364 -1.614 1.00 0.00 N ATOM 67 CA GLN A 8 -20.225 24.085 -2.049 1.00 0.00 C ATOM 68 C GLN A 8 -18.771 24.244 -2.500 1.00 0.00 C ATOM 69 O GLN A 8 -18.499 24.886 -3.513 1.00 0.00 O ATOM 70 CB GLN A 8 -21.082 23.482 -3.164 1.00 0.00 C ATOM 71 CG GLN A 8 -21.901 22.298 -2.646 1.00 0.00 C ATOM 72 CD GLN A 8 -22.065 21.230 -3.729 1.00 0.00 C ATOM 73 OE1 GLN A 8 -22.925 21.310 -4.592 1.00 0.00 O ATOM 74 NE2 GLN A 8 -21.195 20.228 -3.637 1.00 0.00 N ATOM 0 H GLN A 8 -21.696 25.576 -1.963 1.00 0.00 H new ATOM 0 HA GLN A 8 -20.250 23.397 -1.204 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -21.751 24.243 -3.566 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -20.442 23.155 -3.983 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -21.410 21.865 -1.774 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -22.882 22.644 -2.320 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -20.501 20.223 -2.890 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -21.222 19.465 -4.314 1.00 0.00 H new ATOM 83 N ASP A 9 -17.877 23.650 -1.725 1.00 0.00 N ATOM 84 CA ASP A 9 -16.458 23.717 -2.032 1.00 0.00 C ATOM 85 C ASP A 9 -15.720 22.622 -1.259 1.00 0.00 C ATOM 86 O ASP A 9 -14.679 22.877 -0.656 1.00 0.00 O ATOM 87 CB ASP A 9 -15.869 25.067 -1.617 1.00 0.00 C ATOM 88 CG ASP A 9 -16.394 26.271 -2.402 1.00 0.00 C ATOM 89 OD1 ASP A 9 -16.205 26.269 -3.637 1.00 0.00 O ATOM 90 OD2 ASP A 9 -16.973 27.165 -1.748 1.00 0.00 O ATOM 0 H ASP A 9 -18.107 23.120 -0.885 1.00 0.00 H new ATOM 0 HA ASP A 9 -16.339 23.586 -3.108 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -16.074 25.226 -0.558 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -14.786 25.024 -1.729 1.00 0.00 H new ATOM 95 N SER A 10 -16.289 21.426 -1.303 1.00 0.00 N ATOM 96 CA SER A 10 -15.698 20.291 -0.615 1.00 0.00 C ATOM 97 C SER A 10 -14.882 19.449 -1.598 1.00 0.00 C ATOM 98 O SER A 10 -15.416 18.543 -2.237 1.00 0.00 O ATOM 99 CB SER A 10 -16.773 19.432 0.054 1.00 0.00 C ATOM 100 OG SER A 10 -17.474 20.148 1.068 1.00 0.00 O ATOM 0 H SER A 10 -17.153 21.219 -1.804 1.00 0.00 H new ATOM 0 HA SER A 10 -15.037 20.670 0.164 1.00 0.00 H new ATOM 0 HB2 SER A 10 -17.480 19.085 -0.699 1.00 0.00 H new ATOM 0 HB3 SER A 10 -16.310 18.546 0.489 1.00 0.00 H new ATOM 0 HG SER A 10 -18.153 19.566 1.470 1.00 0.00 H new ATOM 106 N ASP A 11 -13.602 19.778 -1.689 1.00 0.00 N ATOM 107 CA ASP A 11 -12.708 19.064 -2.584 1.00 0.00 C ATOM 108 C ASP A 11 -11.897 18.045 -1.781 1.00 0.00 C ATOM 109 O ASP A 11 -12.052 16.839 -1.965 1.00 0.00 O ATOM 110 CB ASP A 11 -11.725 20.022 -3.261 1.00 0.00 C ATOM 111 CG ASP A 11 -12.268 20.734 -4.502 1.00 0.00 C ATOM 112 OD1 ASP A 11 -12.943 21.769 -4.313 1.00 0.00 O ATOM 113 OD2 ASP A 11 -11.995 20.227 -5.612 1.00 0.00 O ATOM 0 H ASP A 11 -13.163 20.530 -1.158 1.00 0.00 H new ATOM 0 HA ASP A 11 -13.314 18.572 -3.345 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -11.415 20.774 -2.535 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -10.832 19.464 -3.542 1.00 0.00 H new ATOM 118 N SER A 12 -11.050 18.568 -0.907 1.00 0.00 N ATOM 119 CA SER A 12 -10.214 17.719 -0.075 1.00 0.00 C ATOM 120 C SER A 12 -11.077 16.685 0.652 1.00 0.00 C ATOM 121 O SER A 12 -10.598 15.610 1.006 1.00 0.00 O ATOM 122 CB SER A 12 -9.418 18.548 0.934 1.00 0.00 C ATOM 123 OG SER A 12 -9.358 19.924 0.566 1.00 0.00 O ATOM 0 H SER A 12 -10.924 19.569 -0.757 1.00 0.00 H new ATOM 0 HA SER A 12 -9.504 17.202 -0.720 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.875 18.456 1.919 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.407 18.149 1.013 1.00 0.00 H new ATOM 0 HG SER A 12 -8.843 20.420 1.236 1.00 0.00 H new ATOM 129 N THR A 13 -12.336 17.048 0.852 1.00 0.00 N ATOM 130 CA THR A 13 -13.271 16.166 1.529 1.00 0.00 C ATOM 131 C THR A 13 -13.235 14.770 0.905 1.00 0.00 C ATOM 132 O THR A 13 -13.093 13.773 1.611 1.00 0.00 O ATOM 133 CB THR A 13 -14.654 16.817 1.483 1.00 0.00 C ATOM 134 OG1 THR A 13 -14.423 18.155 1.919 1.00 0.00 O ATOM 135 CG2 THR A 13 -15.607 16.243 2.533 1.00 0.00 C ATOM 0 H THR A 13 -12.730 17.941 0.557 1.00 0.00 H new ATOM 0 HA THR A 13 -12.997 16.027 2.575 1.00 0.00 H new ATOM 0 HB THR A 13 -15.084 16.684 0.491 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.225 18.496 2.368 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.574 16.740 2.457 1.00 0.00 H new ATOM 0 HG22 THR A 13 -15.734 15.174 2.363 1.00 0.00 H new ATOM 0 HG23 THR A 13 -15.193 16.406 3.528 1.00 0.00 H new ATOM 143 N ALA A 14 -13.366 14.743 -0.414 1.00 0.00 N ATOM 144 CA ALA A 14 -13.351 13.486 -1.142 1.00 0.00 C ATOM 145 C ALA A 14 -12.194 12.622 -0.635 1.00 0.00 C ATOM 146 O ALA A 14 -12.337 11.409 -0.490 1.00 0.00 O ATOM 147 CB ALA A 14 -13.255 13.766 -2.643 1.00 0.00 C ATOM 0 H ALA A 14 -13.483 15.572 -0.997 1.00 0.00 H new ATOM 0 HA ALA A 14 -14.275 12.933 -0.972 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -13.244 12.823 -3.189 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -14.114 14.358 -2.958 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -12.338 14.317 -2.852 1.00 0.00 H new ATOM 153 N ALA A 15 -11.073 13.281 -0.380 1.00 0.00 N ATOM 154 CA ALA A 15 -9.892 12.589 0.107 1.00 0.00 C ATOM 155 C ALA A 15 -10.171 12.037 1.507 1.00 0.00 C ATOM 156 O ALA A 15 -9.927 10.862 1.775 1.00 0.00 O ATOM 157 CB ALA A 15 -8.695 13.541 0.084 1.00 0.00 C ATOM 0 H ALA A 15 -10.958 14.287 -0.502 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.649 11.745 -0.539 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.809 13.021 0.450 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -8.520 13.881 -0.937 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.901 14.400 0.723 1.00 0.00 H new ATOM 163 N VAL A 16 -10.677 12.912 2.363 1.00 0.00 N ATOM 164 CA VAL A 16 -10.992 12.528 3.728 1.00 0.00 C ATOM 165 C VAL A 16 -11.841 11.256 3.712 1.00 0.00 C ATOM 166 O VAL A 16 -11.644 10.363 4.535 1.00 0.00 O ATOM 167 CB VAL A 16 -11.670 13.690 4.456 1.00 0.00 C ATOM 168 CG1 VAL A 16 -11.879 13.363 5.936 1.00 0.00 C ATOM 169 CG2 VAL A 16 -10.870 14.984 4.288 1.00 0.00 C ATOM 0 H VAL A 16 -10.877 13.886 2.137 1.00 0.00 H new ATOM 0 HA VAL A 16 -10.080 12.304 4.281 1.00 0.00 H new ATOM 0 HB VAL A 16 -12.651 13.841 4.005 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -12.363 14.206 6.430 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.509 12.478 6.028 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -10.914 13.172 6.406 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.374 15.794 4.815 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.870 14.850 4.700 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -10.796 15.231 3.229 1.00 0.00 H new ATOM 179 N ALA A 17 -12.769 11.213 2.767 1.00 0.00 N ATOM 180 CA ALA A 17 -13.649 10.065 2.633 1.00 0.00 C ATOM 181 C ALA A 17 -12.861 8.888 2.054 1.00 0.00 C ATOM 182 O ALA A 17 -12.755 7.837 2.684 1.00 0.00 O ATOM 183 CB ALA A 17 -14.853 10.442 1.768 1.00 0.00 C ATOM 0 H ALA A 17 -12.930 11.955 2.086 1.00 0.00 H new ATOM 0 HA ALA A 17 -14.031 9.759 3.607 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -15.513 9.580 1.668 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -15.396 11.262 2.238 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.509 10.752 0.781 1.00 0.00 H new ATOM 189 N VAL A 18 -12.327 9.105 0.861 1.00 0.00 N ATOM 190 CA VAL A 18 -11.552 8.076 0.189 1.00 0.00 C ATOM 191 C VAL A 18 -10.506 7.519 1.157 1.00 0.00 C ATOM 192 O VAL A 18 -10.152 6.343 1.085 1.00 0.00 O ATOM 193 CB VAL A 18 -10.940 8.636 -1.096 1.00 0.00 C ATOM 194 CG1 VAL A 18 -9.504 9.108 -0.859 1.00 0.00 C ATOM 195 CG2 VAL A 18 -10.999 7.607 -2.226 1.00 0.00 C ATOM 0 H VAL A 18 -12.416 9.979 0.342 1.00 0.00 H new ATOM 0 HA VAL A 18 -12.194 7.247 -0.109 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.531 9.500 -1.399 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -9.092 9.502 -1.788 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.499 9.890 -0.100 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.897 8.269 -0.520 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.557 8.031 -3.128 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.444 6.715 -1.935 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -12.038 7.340 -2.422 1.00 0.00 H new ATOM 205 N LEU A 19 -10.039 8.391 2.039 1.00 0.00 N ATOM 206 CA LEU A 19 -9.040 8.001 3.019 1.00 0.00 C ATOM 207 C LEU A 19 -9.709 7.181 4.124 1.00 0.00 C ATOM 208 O LEU A 19 -9.151 6.188 4.590 1.00 0.00 O ATOM 209 CB LEU A 19 -8.288 9.229 3.535 1.00 0.00 C ATOM 210 CG LEU A 19 -7.306 9.875 2.555 1.00 0.00 C ATOM 211 CD1 LEU A 19 -6.688 11.141 3.151 1.00 0.00 C ATOM 212 CD2 LEU A 19 -6.239 8.873 2.108 1.00 0.00 C ATOM 0 H LEU A 19 -10.334 9.366 2.095 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.285 7.363 2.560 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -9.020 9.980 3.833 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.740 8.944 4.433 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.860 10.175 1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -5.994 11.580 2.434 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.476 11.858 3.379 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.152 10.888 4.066 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.554 9.357 1.412 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.684 8.520 2.977 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.718 8.027 1.616 1.00 0.00 H new ATOM 224 N LYS A 20 -10.895 7.627 4.513 1.00 0.00 N ATOM 225 CA LYS A 20 -11.645 6.947 5.554 1.00 0.00 C ATOM 226 C LYS A 20 -11.992 5.532 5.086 1.00 0.00 C ATOM 227 O LYS A 20 -11.820 4.568 5.831 1.00 0.00 O ATOM 228 CB LYS A 20 -12.865 7.775 5.964 1.00 0.00 C ATOM 229 CG LYS A 20 -13.062 7.748 7.481 1.00 0.00 C ATOM 230 CD LYS A 20 -12.779 9.120 8.095 1.00 0.00 C ATOM 231 CE LYS A 20 -12.093 8.981 9.455 1.00 0.00 C ATOM 232 NZ LYS A 20 -11.318 10.202 9.772 1.00 0.00 N ATOM 0 H LYS A 20 -11.354 8.451 4.125 1.00 0.00 H new ATOM 0 HA LYS A 20 -11.039 6.846 6.455 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.740 8.804 5.628 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.756 7.385 5.471 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -14.083 7.445 7.713 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.400 7.004 7.924 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -12.147 9.700 7.422 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -13.713 9.671 8.209 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.840 8.806 10.229 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.431 8.115 9.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.859 10.091 10.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -10.593 10.352 9.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.957 11.022 9.799 1.00 0.00 H new ATOM 246 N ARG A 21 -12.474 5.452 3.855 1.00 0.00 N ATOM 247 CA ARG A 21 -12.846 4.171 3.278 1.00 0.00 C ATOM 248 C ARG A 21 -11.624 3.254 3.188 1.00 0.00 C ATOM 249 O ARG A 21 -11.677 2.100 3.611 1.00 0.00 O ATOM 250 CB ARG A 21 -13.446 4.348 1.882 1.00 0.00 C ATOM 251 CG ARG A 21 -14.948 4.629 1.962 1.00 0.00 C ATOM 252 CD ARG A 21 -15.719 3.373 2.374 1.00 0.00 C ATOM 253 NE ARG A 21 -17.084 3.738 2.811 1.00 0.00 N ATOM 254 CZ ARG A 21 -18.057 2.850 3.057 1.00 0.00 C ATOM 255 NH1 ARG A 21 -17.821 1.539 2.909 1.00 0.00 N ATOM 256 NH2 ARG A 21 -19.267 3.272 3.450 1.00 0.00 N ATOM 0 H ARG A 21 -12.616 6.254 3.240 1.00 0.00 H new ATOM 0 HA ARG A 21 -13.596 3.720 3.928 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -12.946 5.169 1.369 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -13.272 3.449 1.291 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -15.135 5.427 2.681 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -15.308 4.980 0.995 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -15.770 2.677 1.537 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -15.194 2.863 3.181 1.00 0.00 H new ATOM 0 HE ARG A 21 -17.298 4.728 2.933 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -16.901 1.217 2.609 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -18.562 0.863 3.096 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -19.448 4.270 3.562 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -20.007 2.596 3.637 1.00 0.00 H new ATOM 270 N ALA A 22 -10.552 3.803 2.635 1.00 0.00 N ATOM 271 CA ALA A 22 -9.319 3.049 2.484 1.00 0.00 C ATOM 272 C ALA A 22 -8.981 2.363 3.809 1.00 0.00 C ATOM 273 O ALA A 22 -8.767 1.152 3.848 1.00 0.00 O ATOM 274 CB ALA A 22 -8.204 3.983 2.010 1.00 0.00 C ATOM 0 H ALA A 22 -10.512 4.761 2.286 1.00 0.00 H new ATOM 0 HA ALA A 22 -9.435 2.271 1.730 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.279 3.417 1.897 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.480 4.422 1.052 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -8.057 4.776 2.744 1.00 0.00 H new ATOM 280 N VAL A 23 -8.942 3.166 4.862 1.00 0.00 N ATOM 281 CA VAL A 23 -8.633 2.651 6.185 1.00 0.00 C ATOM 282 C VAL A 23 -9.493 1.416 6.461 1.00 0.00 C ATOM 283 O VAL A 23 -8.987 0.392 6.916 1.00 0.00 O ATOM 284 CB VAL A 23 -8.817 3.753 7.231 1.00 0.00 C ATOM 285 CG1 VAL A 23 -9.145 3.158 8.602 1.00 0.00 C ATOM 286 CG2 VAL A 23 -7.580 4.650 7.305 1.00 0.00 C ATOM 0 H VAL A 23 -9.119 4.170 4.826 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.590 2.339 6.239 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.661 4.370 6.923 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.271 3.962 9.327 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.067 2.581 8.537 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -8.331 2.507 8.920 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.737 5.425 8.056 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.712 4.050 7.578 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.409 5.115 6.334 1.00 0.00 H new ATOM 296 N GLU A 24 -10.779 1.553 6.173 1.00 0.00 N ATOM 297 CA GLU A 24 -11.714 0.461 6.384 1.00 0.00 C ATOM 298 C GLU A 24 -11.275 -0.774 5.594 1.00 0.00 C ATOM 299 O GLU A 24 -10.988 -1.818 6.176 1.00 0.00 O ATOM 300 CB GLU A 24 -13.137 0.876 6.006 1.00 0.00 C ATOM 301 CG GLU A 24 -13.630 2.017 6.897 1.00 0.00 C ATOM 302 CD GLU A 24 -13.868 1.531 8.329 1.00 0.00 C ATOM 303 OE1 GLU A 24 -14.991 1.043 8.583 1.00 0.00 O ATOM 304 OE2 GLU A 24 -12.922 1.658 9.136 1.00 0.00 O ATOM 0 H GLU A 24 -11.196 2.404 5.795 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.714 0.209 7.444 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.163 1.188 4.962 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.806 0.021 6.100 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -12.897 2.824 6.900 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.554 2.428 6.490 1.00 0.00 H new ATOM 311 N LEU A 25 -11.236 -0.613 4.279 1.00 0.00 N ATOM 312 CA LEU A 25 -10.837 -1.701 3.403 1.00 0.00 C ATOM 313 C LEU A 25 -9.560 -2.345 3.946 1.00 0.00 C ATOM 314 O LEU A 25 -9.453 -3.569 4.003 1.00 0.00 O ATOM 315 CB LEU A 25 -10.712 -1.209 1.960 1.00 0.00 C ATOM 316 CG LEU A 25 -12.026 -0.896 1.242 1.00 0.00 C ATOM 317 CD1 LEU A 25 -11.789 0.021 0.040 1.00 0.00 C ATOM 318 CD2 LEU A 25 -12.755 -2.182 0.847 1.00 0.00 C ATOM 0 H LEU A 25 -11.474 0.255 3.799 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.603 -2.476 3.386 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.096 -0.310 1.956 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -10.178 -1.965 1.384 1.00 0.00 H new ATOM 0 HG LEU A 25 -12.674 -0.358 1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -12.739 0.228 -0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.344 0.957 0.378 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.115 -0.468 -0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.686 -1.931 0.338 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -12.123 -2.768 0.179 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.976 -2.764 1.741 1.00 0.00 H new ATOM 330 N ASP A 26 -8.623 -1.491 4.332 1.00 0.00 N ATOM 331 CA ASP A 26 -7.357 -1.961 4.869 1.00 0.00 C ATOM 332 C ASP A 26 -7.623 -2.857 6.080 1.00 0.00 C ATOM 333 O ASP A 26 -6.901 -3.826 6.310 1.00 0.00 O ATOM 334 CB ASP A 26 -6.485 -0.791 5.328 1.00 0.00 C ATOM 335 CG ASP A 26 -5.045 -0.815 4.810 1.00 0.00 C ATOM 336 OD1 ASP A 26 -4.888 -0.946 3.577 1.00 0.00 O ATOM 337 OD2 ASP A 26 -4.135 -0.701 5.659 1.00 0.00 O ATOM 0 H ASP A 26 -8.715 -0.476 4.284 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.839 -2.509 4.082 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.954 0.139 5.009 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.463 -0.780 6.418 1.00 0.00 H new ATOM 342 N ALA A 27 -8.660 -2.500 6.823 1.00 0.00 N ATOM 343 CA ALA A 27 -9.030 -3.260 8.005 1.00 0.00 C ATOM 344 C ALA A 27 -9.780 -4.524 7.580 1.00 0.00 C ATOM 345 O ALA A 27 -9.764 -5.528 8.290 1.00 0.00 O ATOM 346 CB ALA A 27 -9.859 -2.377 8.941 1.00 0.00 C ATOM 0 H ALA A 27 -9.256 -1.695 6.630 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.142 -3.573 8.553 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -10.137 -2.947 9.828 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -9.271 -1.508 9.237 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -10.761 -2.046 8.425 1.00 0.00 H new ATOM 352 N GLU A 28 -10.419 -4.433 6.423 1.00 0.00 N ATOM 353 CA GLU A 28 -11.174 -5.557 5.895 1.00 0.00 C ATOM 354 C GLU A 28 -10.243 -6.522 5.158 1.00 0.00 C ATOM 355 O GLU A 28 -10.684 -7.555 4.657 1.00 0.00 O ATOM 356 CB GLU A 28 -12.302 -5.078 4.980 1.00 0.00 C ATOM 357 CG GLU A 28 -13.350 -4.288 5.768 1.00 0.00 C ATOM 358 CD GLU A 28 -14.567 -5.158 6.086 1.00 0.00 C ATOM 359 OE1 GLU A 28 -14.378 -6.155 6.816 1.00 0.00 O ATOM 360 OE2 GLU A 28 -15.660 -4.807 5.591 1.00 0.00 O ATOM 0 H GLU A 28 -10.430 -3.599 5.836 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.629 -6.089 6.731 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.891 -4.453 4.187 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.773 -5.935 4.499 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -12.911 -3.918 6.694 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -13.662 -3.416 5.193 1.00 0.00 H new ATOM 367 N SER A 29 -8.972 -6.151 5.116 1.00 0.00 N ATOM 368 CA SER A 29 -7.974 -6.971 4.449 1.00 0.00 C ATOM 369 C SER A 29 -8.041 -6.749 2.937 1.00 0.00 C ATOM 370 O SER A 29 -7.347 -7.422 2.176 1.00 0.00 O ATOM 371 CB SER A 29 -8.170 -8.453 4.778 1.00 0.00 C ATOM 372 OG SER A 29 -9.021 -9.100 3.836 1.00 0.00 O ATOM 0 H SER A 29 -8.610 -5.293 5.533 1.00 0.00 H new ATOM 0 HA SER A 29 -6.989 -6.674 4.810 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.201 -8.952 4.794 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.595 -8.550 5.777 1.00 0.00 H new ATOM 0 HG SER A 29 -9.905 -8.678 3.850 1.00 0.00 H new ATOM 378 N ARG A 30 -8.883 -5.804 2.546 1.00 0.00 N ATOM 379 CA ARG A 30 -9.049 -5.485 1.139 1.00 0.00 C ATOM 380 C ARG A 30 -8.032 -4.425 0.711 1.00 0.00 C ATOM 381 O ARG A 30 -8.406 -3.373 0.196 1.00 0.00 O ATOM 382 CB ARG A 30 -10.461 -4.971 0.853 1.00 0.00 C ATOM 383 CG ARG A 30 -11.516 -5.911 1.441 1.00 0.00 C ATOM 384 CD ARG A 30 -12.916 -5.305 1.324 1.00 0.00 C ATOM 385 NE ARG A 30 -13.905 -6.367 1.035 1.00 0.00 N ATOM 386 CZ ARG A 30 -14.140 -6.862 -0.188 1.00 0.00 C ATOM 387 NH1 ARG A 30 -13.460 -6.393 -1.243 1.00 0.00 N ATOM 388 NH2 ARG A 30 -15.056 -7.825 -0.357 1.00 0.00 N ATOM 0 H ARG A 30 -9.458 -5.249 3.180 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.886 -6.401 0.571 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.581 -3.974 1.276 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.608 -4.881 -0.223 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -11.486 -6.868 0.921 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.288 -6.110 2.488 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -13.179 -4.794 2.250 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -12.932 -4.556 0.532 1.00 0.00 H new ATOM 0 HE ARG A 30 -14.441 -6.746 1.815 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -12.763 -5.659 -1.115 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -13.639 -6.770 -2.174 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -15.575 -8.182 0.445 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -15.234 -8.201 -1.288 1.00 0.00 H new ATOM 402 N TYR A 31 -6.765 -4.740 0.940 1.00 0.00 N ATOM 403 CA TYR A 31 -5.691 -3.828 0.584 1.00 0.00 C ATOM 404 C TYR A 31 -5.789 -3.412 -0.885 1.00 0.00 C ATOM 405 O TYR A 31 -5.511 -2.264 -1.229 1.00 0.00 O ATOM 406 CB TYR A 31 -4.391 -4.605 0.796 1.00 0.00 C ATOM 407 CG TYR A 31 -4.133 -5.001 2.251 1.00 0.00 C ATOM 408 CD1 TYR A 31 -4.255 -4.062 3.254 1.00 0.00 C ATOM 409 CD2 TYR A 31 -3.778 -6.299 2.560 1.00 0.00 C ATOM 410 CE1 TYR A 31 -4.012 -4.435 4.624 1.00 0.00 C ATOM 411 CE2 TYR A 31 -3.535 -6.672 3.930 1.00 0.00 C ATOM 412 CZ TYR A 31 -3.664 -5.721 4.894 1.00 0.00 C ATOM 413 OH TYR A 31 -3.435 -6.074 6.187 1.00 0.00 O ATOM 0 H TYR A 31 -6.458 -5.614 1.368 1.00 0.00 H new ATOM 0 HA TYR A 31 -5.740 -2.922 1.189 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -4.415 -5.506 0.184 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.556 -4.000 0.441 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.533 -3.047 3.012 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -3.683 -7.034 1.775 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -4.104 -3.709 5.419 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -3.257 -7.684 4.186 1.00 0.00 H new ATOM 0 HH TYR A 31 -3.196 -7.024 6.230 1.00 0.00 H new ATOM 423 N GLN A 32 -6.186 -4.367 -1.712 1.00 0.00 N ATOM 424 CA GLN A 32 -6.324 -4.114 -3.137 1.00 0.00 C ATOM 425 C GLN A 32 -7.320 -2.978 -3.380 1.00 0.00 C ATOM 426 O GLN A 32 -7.341 -2.387 -4.458 1.00 0.00 O ATOM 427 CB GLN A 32 -6.748 -5.383 -3.880 1.00 0.00 C ATOM 428 CG GLN A 32 -5.749 -5.728 -4.987 1.00 0.00 C ATOM 429 CD GLN A 32 -6.115 -5.022 -6.295 1.00 0.00 C ATOM 430 OE1 GLN A 32 -6.621 -5.618 -7.231 1.00 0.00 O ATOM 431 NE2 GLN A 32 -5.830 -3.723 -6.305 1.00 0.00 N ATOM 0 H GLN A 32 -6.417 -5.318 -1.423 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.353 -3.810 -3.528 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -6.820 -6.214 -3.178 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.740 -5.243 -4.310 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -4.745 -5.435 -4.680 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -5.733 -6.807 -5.144 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -5.406 -3.288 -5.486 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -6.035 -3.162 -7.132 1.00 0.00 H new ATOM 440 N GLN A 33 -8.120 -2.707 -2.360 1.00 0.00 N ATOM 441 CA GLN A 33 -9.116 -1.652 -2.449 1.00 0.00 C ATOM 442 C GLN A 33 -8.681 -0.441 -1.622 1.00 0.00 C ATOM 443 O GLN A 33 -8.907 0.701 -2.020 1.00 0.00 O ATOM 444 CB GLN A 33 -10.490 -2.156 -2.003 1.00 0.00 C ATOM 445 CG GLN A 33 -11.022 -3.221 -2.964 1.00 0.00 C ATOM 446 CD GLN A 33 -12.541 -3.117 -3.112 1.00 0.00 C ATOM 447 OE1 GLN A 33 -13.304 -3.793 -2.441 1.00 0.00 O ATOM 448 NE2 GLN A 33 -12.936 -2.235 -4.025 1.00 0.00 N ATOM 0 H GLN A 33 -8.099 -3.200 -1.467 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.199 -1.345 -3.491 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.420 -2.571 -0.997 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -11.190 -1.322 -1.956 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.549 -3.104 -3.939 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.756 -4.212 -2.597 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.244 -1.702 -4.552 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -13.931 -2.092 -4.199 1.00 0.00 H new ATOM 457 N ALA A 34 -8.064 -0.730 -0.486 1.00 0.00 N ATOM 458 CA ALA A 34 -7.596 0.321 0.401 1.00 0.00 C ATOM 459 C ALA A 34 -6.409 1.038 -0.247 1.00 0.00 C ATOM 460 O ALA A 34 -6.082 2.164 0.124 1.00 0.00 O ATOM 461 CB ALA A 34 -7.241 -0.279 1.763 1.00 0.00 C ATOM 0 H ALA A 34 -7.877 -1.678 -0.159 1.00 0.00 H new ATOM 0 HA ALA A 34 -8.379 1.061 0.565 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.890 0.510 2.428 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.124 -0.751 2.194 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -6.456 -1.025 1.639 1.00 0.00 H new ATOM 467 N LEU A 35 -5.798 0.355 -1.204 1.00 0.00 N ATOM 468 CA LEU A 35 -4.655 0.912 -1.907 1.00 0.00 C ATOM 469 C LEU A 35 -5.118 2.083 -2.777 1.00 0.00 C ATOM 470 O LEU A 35 -4.721 3.224 -2.551 1.00 0.00 O ATOM 471 CB LEU A 35 -3.920 -0.180 -2.686 1.00 0.00 C ATOM 472 CG LEU A 35 -2.550 0.203 -3.250 1.00 0.00 C ATOM 473 CD1 LEU A 35 -2.690 0.894 -4.608 1.00 0.00 C ATOM 474 CD2 LEU A 35 -1.766 1.057 -2.251 1.00 0.00 C ATOM 0 H LEU A 35 -6.073 -0.579 -1.509 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.928 1.309 -1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.793 -1.042 -2.031 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.555 -0.498 -3.513 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.979 -0.711 -3.411 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.702 1.156 -4.987 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.181 0.220 -5.310 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -3.287 1.799 -4.496 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.796 1.316 -2.676 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.323 1.969 -2.036 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.620 0.495 -1.328 1.00 0.00 H new ATOM 486 N VAL A 36 -5.951 1.758 -3.755 1.00 0.00 N ATOM 487 CA VAL A 36 -6.473 2.768 -4.660 1.00 0.00 C ATOM 488 C VAL A 36 -7.059 3.923 -3.846 1.00 0.00 C ATOM 489 O VAL A 36 -6.748 5.086 -4.097 1.00 0.00 O ATOM 490 CB VAL A 36 -7.485 2.139 -5.620 1.00 0.00 C ATOM 491 CG1 VAL A 36 -7.016 0.757 -6.082 1.00 0.00 C ATOM 492 CG2 VAL A 36 -8.872 2.061 -4.979 1.00 0.00 C ATOM 0 H VAL A 36 -6.277 0.810 -3.940 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.673 3.178 -5.276 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.557 2.780 -6.499 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -7.753 0.332 -6.763 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -6.059 0.850 -6.595 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -6.902 0.104 -5.217 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -9.573 1.610 -5.682 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -8.822 1.453 -4.076 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -9.211 3.065 -4.722 1.00 0.00 H new ATOM 502 N CYS A 37 -7.898 3.562 -2.886 1.00 0.00 N ATOM 503 CA CYS A 37 -8.531 4.553 -2.033 1.00 0.00 C ATOM 504 C CYS A 37 -7.443 5.473 -1.477 1.00 0.00 C ATOM 505 O CYS A 37 -7.484 6.685 -1.684 1.00 0.00 O ATOM 506 CB CYS A 37 -9.351 3.900 -0.918 1.00 0.00 C ATOM 507 SG CYS A 37 -10.657 2.841 -1.640 1.00 0.00 S ATOM 0 H CYS A 37 -8.154 2.596 -2.680 1.00 0.00 H new ATOM 0 HA CYS A 37 -9.239 5.141 -2.618 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -8.700 3.304 -0.278 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -9.801 4.668 -0.288 1.00 0.00 H new ATOM 0 HG CYS A 37 -10.153 1.685 -1.956 1.00 0.00 H new ATOM 513 N TYR A 38 -6.495 4.863 -0.781 1.00 0.00 N ATOM 514 CA TYR A 38 -5.397 5.612 -0.193 1.00 0.00 C ATOM 515 C TYR A 38 -4.721 6.503 -1.237 1.00 0.00 C ATOM 516 O TYR A 38 -4.312 7.622 -0.932 1.00 0.00 O ATOM 517 CB TYR A 38 -4.391 4.570 0.300 1.00 0.00 C ATOM 518 CG TYR A 38 -4.648 4.083 1.727 1.00 0.00 C ATOM 519 CD1 TYR A 38 -5.025 4.980 2.705 1.00 0.00 C ATOM 520 CD2 TYR A 38 -4.504 2.745 2.036 1.00 0.00 C ATOM 521 CE1 TYR A 38 -5.267 4.522 4.048 1.00 0.00 C ATOM 522 CE2 TYR A 38 -4.746 2.287 3.379 1.00 0.00 C ATOM 523 CZ TYR A 38 -5.116 3.197 4.319 1.00 0.00 C ATOM 524 OH TYR A 38 -5.344 2.764 5.588 1.00 0.00 O ATOM 0 H TYR A 38 -6.464 3.858 -0.611 1.00 0.00 H new ATOM 0 HA TYR A 38 -5.758 6.256 0.609 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -4.411 3.714 -0.374 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -3.388 4.994 0.247 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -5.139 6.026 2.463 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.210 2.042 1.270 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -5.562 5.214 4.823 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -4.636 1.243 3.634 1.00 0.00 H new ATOM 0 HH TYR A 38 -5.199 1.796 5.634 1.00 0.00 H new ATOM 534 N GLN A 39 -4.625 5.974 -2.448 1.00 0.00 N ATOM 535 CA GLN A 39 -4.005 6.707 -3.538 1.00 0.00 C ATOM 536 C GLN A 39 -4.915 7.849 -3.995 1.00 0.00 C ATOM 537 O GLN A 39 -4.443 8.949 -4.275 1.00 0.00 O ATOM 538 CB GLN A 39 -3.668 5.775 -4.704 1.00 0.00 C ATOM 539 CG GLN A 39 -2.873 4.560 -4.222 1.00 0.00 C ATOM 540 CD GLN A 39 -1.395 4.688 -4.596 1.00 0.00 C ATOM 541 OE1 GLN A 39 -0.944 4.208 -5.623 1.00 0.00 O ATOM 542 NE2 GLN A 39 -0.669 5.361 -3.708 1.00 0.00 N ATOM 0 H GLN A 39 -4.966 5.046 -2.698 1.00 0.00 H new ATOM 0 HA GLN A 39 -3.070 7.135 -3.176 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.587 5.444 -5.187 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.091 6.318 -5.453 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -2.971 4.462 -3.141 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.286 3.653 -4.663 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -1.110 5.737 -2.868 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.329 5.502 -3.866 1.00 0.00 H new ATOM 551 N GLU A 40 -6.204 7.548 -4.055 1.00 0.00 N ATOM 552 CA GLU A 40 -7.185 8.536 -4.472 1.00 0.00 C ATOM 553 C GLU A 40 -7.112 9.769 -3.571 1.00 0.00 C ATOM 554 O GLU A 40 -7.183 10.899 -4.052 1.00 0.00 O ATOM 555 CB GLU A 40 -8.594 7.941 -4.476 1.00 0.00 C ATOM 556 CG GLU A 40 -8.644 6.652 -5.298 1.00 0.00 C ATOM 557 CD GLU A 40 -9.582 6.801 -6.497 1.00 0.00 C ATOM 558 OE1 GLU A 40 -9.413 7.801 -7.229 1.00 0.00 O ATOM 559 OE2 GLU A 40 -10.448 5.914 -6.655 1.00 0.00 O ATOM 0 H GLU A 40 -6.592 6.634 -3.822 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.953 8.842 -5.492 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.909 7.736 -3.453 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.297 8.666 -4.887 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.642 6.399 -5.645 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.981 5.828 -4.669 1.00 0.00 H new ATOM 566 N GLY A 41 -6.971 9.512 -2.279 1.00 0.00 N ATOM 567 CA GLY A 41 -6.889 10.587 -1.305 1.00 0.00 C ATOM 568 C GLY A 41 -5.563 11.341 -1.433 1.00 0.00 C ATOM 569 O GLY A 41 -5.546 12.570 -1.472 1.00 0.00 O ATOM 0 H GLY A 41 -6.911 8.574 -1.884 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.720 11.278 -1.449 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.984 10.179 -0.299 1.00 0.00 H new ATOM 573 N ILE A 42 -4.486 10.573 -1.494 1.00 0.00 N ATOM 574 CA ILE A 42 -3.159 11.153 -1.616 1.00 0.00 C ATOM 575 C ILE A 42 -3.133 12.109 -2.811 1.00 0.00 C ATOM 576 O ILE A 42 -2.709 13.256 -2.683 1.00 0.00 O ATOM 577 CB ILE A 42 -2.098 10.053 -1.686 1.00 0.00 C ATOM 578 CG1 ILE A 42 -1.902 9.392 -0.320 1.00 0.00 C ATOM 579 CG2 ILE A 42 -0.784 10.593 -2.254 1.00 0.00 C ATOM 580 CD1 ILE A 42 -1.760 7.875 -0.461 1.00 0.00 C ATOM 0 H ILE A 42 -4.505 9.554 -1.461 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.917 11.741 -0.731 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.452 9.281 -2.370 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -1.014 9.801 0.162 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.750 9.623 0.325 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.047 9.791 -2.293 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.953 10.979 -3.259 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.414 11.395 -1.615 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.622 7.429 0.524 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.660 7.467 -0.921 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.897 7.647 -1.087 1.00 0.00 H new ATOM 592 N ASP A 43 -3.593 11.601 -3.945 1.00 0.00 N ATOM 593 CA ASP A 43 -3.627 12.395 -5.161 1.00 0.00 C ATOM 594 C ASP A 43 -4.428 13.674 -4.907 1.00 0.00 C ATOM 595 O ASP A 43 -4.030 14.755 -5.337 1.00 0.00 O ATOM 596 CB ASP A 43 -4.307 11.631 -6.299 1.00 0.00 C ATOM 597 CG ASP A 43 -3.762 11.933 -7.696 1.00 0.00 C ATOM 598 OD1 ASP A 43 -3.343 13.093 -7.903 1.00 0.00 O ATOM 599 OD2 ASP A 43 -3.778 10.999 -8.526 1.00 0.00 O ATOM 0 H ASP A 43 -3.945 10.649 -4.047 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.599 12.624 -5.443 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -4.207 10.562 -6.110 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -5.373 11.859 -6.284 1.00 0.00 H new ATOM 604 N MET A 44 -5.542 13.508 -4.208 1.00 0.00 N ATOM 605 CA MET A 44 -6.402 14.635 -3.892 1.00 0.00 C ATOM 606 C MET A 44 -5.702 15.608 -2.940 1.00 0.00 C ATOM 607 O MET A 44 -5.722 16.818 -3.159 1.00 0.00 O ATOM 608 CB MET A 44 -7.692 14.128 -3.245 1.00 0.00 C ATOM 609 CG MET A 44 -8.704 13.694 -4.308 1.00 0.00 C ATOM 610 SD MET A 44 -10.293 13.397 -3.552 1.00 0.00 S ATOM 611 CE MET A 44 -10.222 11.623 -3.366 1.00 0.00 C ATOM 0 H MET A 44 -5.868 12.610 -3.852 1.00 0.00 H new ATOM 0 HA MET A 44 -6.633 15.163 -4.817 1.00 0.00 H new ATOM 0 HB2 MET A 44 -7.468 13.289 -2.587 1.00 0.00 H new ATOM 0 HB3 MET A 44 -8.125 14.913 -2.624 1.00 0.00 H new ATOM 0 HG2 MET A 44 -8.794 14.466 -5.073 1.00 0.00 H new ATOM 0 HG3 MET A 44 -8.355 12.790 -4.807 1.00 0.00 H new ATOM 0 HE1 MET A 44 -11.112 11.276 -2.841 1.00 0.00 H new ATOM 0 HE2 MET A 44 -10.176 11.156 -4.350 1.00 0.00 H new ATOM 0 HE3 MET A 44 -9.335 11.352 -2.793 1.00 0.00 H new ATOM 621 N LEU A 45 -5.100 15.043 -1.904 1.00 0.00 N ATOM 622 CA LEU A 45 -4.396 15.845 -0.918 1.00 0.00 C ATOM 623 C LEU A 45 -3.245 16.588 -1.600 1.00 0.00 C ATOM 624 O LEU A 45 -3.121 17.804 -1.466 1.00 0.00 O ATOM 625 CB LEU A 45 -3.954 14.977 0.262 1.00 0.00 C ATOM 626 CG LEU A 45 -5.077 14.353 1.093 1.00 0.00 C ATOM 627 CD1 LEU A 45 -4.651 12.998 1.660 1.00 0.00 C ATOM 628 CD2 LEU A 45 -5.547 15.311 2.189 1.00 0.00 C ATOM 0 H LEU A 45 -5.085 14.039 -1.726 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.059 16.601 -0.497 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.322 14.175 -0.119 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.335 15.584 0.922 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.928 14.174 0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.467 12.576 2.246 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.405 12.322 0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.776 13.129 2.297 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -6.345 14.842 2.764 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.713 15.545 2.850 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -5.918 16.230 1.735 1.00 0.00 H new ATOM 640 N LEU A 46 -2.432 15.825 -2.316 1.00 0.00 N ATOM 641 CA LEU A 46 -1.296 16.396 -3.019 1.00 0.00 C ATOM 642 C LEU A 46 -1.697 17.746 -3.615 1.00 0.00 C ATOM 643 O LEU A 46 -1.088 18.770 -3.308 1.00 0.00 O ATOM 644 CB LEU A 46 -0.751 15.405 -4.050 1.00 0.00 C ATOM 645 CG LEU A 46 0.459 14.578 -3.611 1.00 0.00 C ATOM 646 CD1 LEU A 46 1.037 13.786 -4.786 1.00 0.00 C ATOM 647 CD2 LEU A 46 1.513 15.461 -2.941 1.00 0.00 C ATOM 0 H LEU A 46 -2.538 14.816 -2.424 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.475 16.584 -2.327 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.553 14.720 -4.326 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.481 15.959 -4.949 1.00 0.00 H new ATOM 0 HG LEU A 46 0.126 13.854 -2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.896 13.207 -4.447 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.277 13.111 -5.179 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.351 14.475 -5.570 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.362 14.848 -2.639 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.848 16.224 -3.643 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.081 15.941 -2.063 1.00 0.00 H new ATOM 659 N GLN A 47 -2.718 17.705 -4.458 1.00 0.00 N ATOM 660 CA GLN A 47 -3.207 18.913 -5.100 1.00 0.00 C ATOM 661 C GLN A 47 -3.630 19.940 -4.048 1.00 0.00 C ATOM 662 O GLN A 47 -3.397 21.137 -4.214 1.00 0.00 O ATOM 663 CB GLN A 47 -4.362 18.599 -6.054 1.00 0.00 C ATOM 664 CG GLN A 47 -3.934 17.583 -7.115 1.00 0.00 C ATOM 665 CD GLN A 47 -4.222 18.108 -8.524 1.00 0.00 C ATOM 666 OE1 GLN A 47 -4.078 19.283 -8.817 1.00 0.00 O ATOM 667 NE2 GLN A 47 -4.636 17.174 -9.375 1.00 0.00 N ATOM 0 H GLN A 47 -3.220 16.854 -4.711 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.396 19.339 -5.691 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -5.208 18.207 -5.490 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -4.699 19.516 -6.538 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.870 17.371 -7.012 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.463 16.643 -6.958 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -4.735 16.208 -9.063 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.855 17.424 -10.339 1.00 0.00 H new ATOM 676 N VAL A 48 -4.244 19.435 -2.988 1.00 0.00 N ATOM 677 CA VAL A 48 -4.702 20.294 -1.908 1.00 0.00 C ATOM 678 C VAL A 48 -3.501 21.010 -1.288 1.00 0.00 C ATOM 679 O VAL A 48 -3.499 22.234 -1.164 1.00 0.00 O ATOM 680 CB VAL A 48 -5.500 19.476 -0.892 1.00 0.00 C ATOM 681 CG1 VAL A 48 -6.023 20.365 0.238 1.00 0.00 C ATOM 682 CG2 VAL A 48 -6.646 18.723 -1.572 1.00 0.00 C ATOM 0 H VAL A 48 -4.435 18.442 -2.854 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.376 21.061 -2.289 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.828 18.738 -0.454 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.587 19.759 0.947 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.183 20.834 0.750 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.672 21.136 -0.177 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.197 18.149 -0.827 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.317 19.437 -2.050 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.241 18.046 -2.324 1.00 0.00 H new ATOM 692 N LEU A 49 -2.507 20.217 -0.915 1.00 0.00 N ATOM 693 CA LEU A 49 -1.302 20.759 -0.311 1.00 0.00 C ATOM 694 C LEU A 49 -0.758 21.885 -1.192 1.00 0.00 C ATOM 695 O LEU A 49 -0.500 22.987 -0.709 1.00 0.00 O ATOM 696 CB LEU A 49 -0.290 19.645 -0.040 1.00 0.00 C ATOM 697 CG LEU A 49 1.027 20.078 0.607 1.00 0.00 C ATOM 698 CD1 LEU A 49 0.772 20.900 1.872 1.00 0.00 C ATOM 699 CD2 LEU A 49 1.927 18.871 0.880 1.00 0.00 C ATOM 0 H LEU A 49 -2.512 19.202 -1.020 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.527 21.196 0.662 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.761 18.902 0.604 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.063 19.150 -0.984 1.00 0.00 H new ATOM 0 HG LEU A 49 1.557 20.722 -0.095 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.724 21.195 2.312 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.198 21.791 1.617 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.211 20.300 2.589 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.856 19.207 1.340 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.417 18.182 1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.149 18.363 -0.059 1.00 0.00 H new ATOM 711 N LYS A 50 -0.599 21.569 -2.469 1.00 0.00 N ATOM 712 CA LYS A 50 -0.089 22.541 -3.422 1.00 0.00 C ATOM 713 C LYS A 50 -0.716 23.907 -3.136 1.00 0.00 C ATOM 714 O LYS A 50 -0.063 24.938 -3.291 1.00 0.00 O ATOM 715 CB LYS A 50 -0.309 22.051 -4.855 1.00 0.00 C ATOM 716 CG LYS A 50 0.619 20.880 -5.183 1.00 0.00 C ATOM 717 CD LYS A 50 1.900 21.368 -5.862 1.00 0.00 C ATOM 718 CE LYS A 50 2.569 20.239 -6.648 1.00 0.00 C ATOM 719 NZ LYS A 50 3.521 20.790 -7.638 1.00 0.00 N ATOM 0 H LYS A 50 -0.814 20.654 -2.866 1.00 0.00 H new ATOM 0 HA LYS A 50 0.989 22.655 -3.310 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.347 21.744 -4.983 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.130 22.868 -5.554 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.870 20.343 -4.268 1.00 0.00 H new ATOM 0 HG3 LYS A 50 0.104 20.175 -5.835 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.668 22.195 -6.533 1.00 0.00 H new ATOM 0 HD3 LYS A 50 2.590 21.752 -5.111 1.00 0.00 H new ATOM 0 HE2 LYS A 50 3.093 19.572 -5.963 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.811 19.643 -7.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 3.966 20.010 -8.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 3.012 21.408 -8.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 4.254 21.339 -7.146 1.00 0.00 H new ATOM 733 N GLY A 51 -1.974 23.870 -2.724 1.00 0.00 N ATOM 734 CA GLY A 51 -2.697 25.093 -2.415 1.00 0.00 C ATOM 735 C GLY A 51 -2.473 25.508 -0.959 1.00 0.00 C ATOM 736 O GLY A 51 -2.239 26.681 -0.674 1.00 0.00 O ATOM 0 H GLY A 51 -2.512 23.013 -2.597 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.368 25.892 -3.080 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.762 24.946 -2.596 1.00 0.00 H new ATOM 740 N THR A 52 -2.554 24.523 -0.077 1.00 0.00 N ATOM 741 CA THR A 52 -2.364 24.771 1.342 1.00 0.00 C ATOM 742 C THR A 52 -1.145 25.668 1.567 1.00 0.00 C ATOM 743 O THR A 52 -0.007 25.226 1.412 1.00 0.00 O ATOM 744 CB THR A 52 -2.262 23.419 2.049 1.00 0.00 C ATOM 745 OG1 THR A 52 -3.428 22.717 1.627 1.00 0.00 O ATOM 746 CG2 THR A 52 -2.427 23.537 3.566 1.00 0.00 C ATOM 0 H THR A 52 -2.749 23.551 -0.318 1.00 0.00 H new ATOM 0 HA THR A 52 -3.210 25.312 1.766 1.00 0.00 H new ATOM 0 HB THR A 52 -1.298 22.964 1.823 1.00 0.00 H new ATOM 0 HG1 THR A 52 -4.110 22.764 2.329 1.00 0.00 H new ATOM 0 HG21 THR A 52 -2.346 22.549 4.019 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.648 24.185 3.967 1.00 0.00 H new ATOM 0 HG23 THR A 52 -3.405 23.961 3.794 1.00 0.00 H new ATOM 754 N LYS A 53 -1.424 26.911 1.930 1.00 0.00 N ATOM 755 CA LYS A 53 -0.364 27.874 2.178 1.00 0.00 C ATOM 756 C LYS A 53 0.006 27.847 3.662 1.00 0.00 C ATOM 757 O LYS A 53 1.148 28.123 4.026 1.00 0.00 O ATOM 758 CB LYS A 53 -0.769 29.260 1.671 1.00 0.00 C ATOM 759 CG LYS A 53 -0.698 29.327 0.144 1.00 0.00 C ATOM 760 CD LYS A 53 -0.426 30.757 -0.329 1.00 0.00 C ATOM 761 CE LYS A 53 -1.715 31.434 -0.796 1.00 0.00 C ATOM 762 NZ LYS A 53 -2.135 30.900 -2.111 1.00 0.00 N ATOM 0 H LYS A 53 -2.369 27.274 2.058 1.00 0.00 H new ATOM 0 HA LYS A 53 0.533 27.605 1.620 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.782 29.491 2.002 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.112 30.015 2.103 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.089 28.665 -0.217 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.635 28.971 -0.283 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.019 31.334 0.482 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.298 30.743 -1.144 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.504 31.271 -0.062 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.562 32.511 -0.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.873 31.512 -2.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.317 30.875 -2.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.510 29.937 -1.991 1.00 0.00 H new ATOM 776 N GLU A 54 -0.981 27.511 4.480 1.00 0.00 N ATOM 777 CA GLU A 54 -0.773 27.443 5.916 1.00 0.00 C ATOM 778 C GLU A 54 0.434 26.560 6.237 1.00 0.00 C ATOM 779 O GLU A 54 0.373 25.341 6.087 1.00 0.00 O ATOM 780 CB GLU A 54 -2.028 26.936 6.629 1.00 0.00 C ATOM 781 CG GLU A 54 -2.653 28.036 7.489 1.00 0.00 C ATOM 782 CD GLU A 54 -2.717 27.613 8.958 1.00 0.00 C ATOM 783 OE1 GLU A 54 -1.699 27.820 9.654 1.00 0.00 O ATOM 784 OE2 GLU A 54 -3.782 27.091 9.353 1.00 0.00 O ATOM 0 H GLU A 54 -1.927 27.283 4.175 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.569 28.450 6.281 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.753 26.589 5.893 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.774 26.080 7.255 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.069 28.952 7.396 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.657 28.260 7.127 1.00 0.00 H new ATOM 791 N SER A 55 1.504 27.210 6.673 1.00 0.00 N ATOM 792 CA SER A 55 2.723 26.499 7.016 1.00 0.00 C ATOM 793 C SER A 55 2.393 25.279 7.878 1.00 0.00 C ATOM 794 O SER A 55 2.935 24.196 7.661 1.00 0.00 O ATOM 795 CB SER A 55 3.707 27.415 7.747 1.00 0.00 C ATOM 796 OG SER A 55 3.193 27.859 9.000 1.00 0.00 O ATOM 0 H SER A 55 1.551 28.221 6.796 1.00 0.00 H new ATOM 0 HA SER A 55 3.196 26.165 6.092 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.645 26.884 7.908 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.932 28.278 7.121 1.00 0.00 H new ATOM 0 HG SER A 55 3.851 28.440 9.436 1.00 0.00 H new ATOM 802 N SER A 56 1.505 25.495 8.837 1.00 0.00 N ATOM 803 CA SER A 56 1.096 24.426 9.732 1.00 0.00 C ATOM 804 C SER A 56 0.353 23.342 8.949 1.00 0.00 C ATOM 805 O SER A 56 0.805 22.201 8.880 1.00 0.00 O ATOM 806 CB SER A 56 0.215 24.962 10.863 1.00 0.00 C ATOM 807 OG SER A 56 0.956 25.749 11.790 1.00 0.00 O ATOM 0 H SER A 56 1.057 26.394 9.014 1.00 0.00 H new ATOM 0 HA SER A 56 1.991 23.993 10.178 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.591 25.562 10.441 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.250 24.127 11.387 1.00 0.00 H new ATOM 0 HG SER A 56 0.358 26.074 12.495 1.00 0.00 H new ATOM 813 N LYS A 57 -0.775 23.738 8.377 1.00 0.00 N ATOM 814 CA LYS A 57 -1.585 22.815 7.600 1.00 0.00 C ATOM 815 C LYS A 57 -0.669 21.928 6.754 1.00 0.00 C ATOM 816 O LYS A 57 -0.707 20.703 6.868 1.00 0.00 O ATOM 817 CB LYS A 57 -2.630 23.576 6.783 1.00 0.00 C ATOM 818 CG LYS A 57 -3.729 24.139 7.687 1.00 0.00 C ATOM 819 CD LYS A 57 -5.003 24.423 6.889 1.00 0.00 C ATOM 820 CE LYS A 57 -6.210 23.724 7.516 1.00 0.00 C ATOM 821 NZ LYS A 57 -6.546 24.339 8.820 1.00 0.00 N ATOM 0 H LYS A 57 -1.147 24.686 8.436 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.149 22.155 8.259 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.150 24.389 6.239 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.070 22.911 6.040 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.946 23.430 8.486 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.380 25.056 8.161 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -5.180 25.498 6.851 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -4.876 24.084 5.861 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -7.066 23.791 6.844 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -5.994 22.664 7.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.368 23.852 9.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -5.734 24.253 9.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.773 25.344 8.681 1.00 0.00 H new ATOM 835 N ARG A 58 0.132 22.580 5.925 1.00 0.00 N ATOM 836 CA ARG A 58 1.056 21.866 5.060 1.00 0.00 C ATOM 837 C ARG A 58 1.760 20.753 5.840 1.00 0.00 C ATOM 838 O ARG A 58 1.890 19.633 5.349 1.00 0.00 O ATOM 839 CB ARG A 58 2.106 22.812 4.474 1.00 0.00 C ATOM 840 CG ARG A 58 1.494 23.709 3.396 1.00 0.00 C ATOM 841 CD ARG A 58 2.148 25.092 3.397 1.00 0.00 C ATOM 842 NE ARG A 58 2.449 25.511 2.010 1.00 0.00 N ATOM 843 CZ ARG A 58 3.125 26.623 1.691 1.00 0.00 C ATOM 844 NH1 ARG A 58 3.575 27.434 2.658 1.00 0.00 N ATOM 845 NH2 ARG A 58 3.351 26.924 0.405 1.00 0.00 N ATOM 0 H ARG A 58 0.161 23.595 5.834 1.00 0.00 H new ATOM 0 HA ARG A 58 0.478 21.433 4.243 1.00 0.00 H new ATOM 0 HB2 ARG A 58 2.529 23.428 5.268 1.00 0.00 H new ATOM 0 HB3 ARG A 58 2.926 22.233 4.048 1.00 0.00 H new ATOM 0 HG2 ARG A 58 1.619 23.245 2.418 1.00 0.00 H new ATOM 0 HG3 ARG A 58 0.422 23.810 3.567 1.00 0.00 H new ATOM 0 HD2 ARG A 58 1.484 25.817 3.869 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.065 25.069 3.986 1.00 0.00 H new ATOM 0 HE ARG A 58 2.121 24.916 1.249 1.00 0.00 H new ATOM 0 HH11 ARG A 58 3.403 27.205 3.637 1.00 0.00 H new ATOM 0 HH12 ARG A 58 4.090 28.281 2.415 1.00 0.00 H new ATOM 0 HH21 ARG A 58 3.008 26.307 -0.331 1.00 0.00 H new ATOM 0 HH22 ARG A 58 3.866 27.771 0.162 1.00 0.00 H new ATOM 859 N CYS A 59 2.198 21.102 7.041 1.00 0.00 N ATOM 860 CA CYS A 59 2.886 20.147 7.893 1.00 0.00 C ATOM 861 C CYS A 59 1.965 18.944 8.108 1.00 0.00 C ATOM 862 O CYS A 59 2.359 17.804 7.865 1.00 0.00 O ATOM 863 CB CYS A 59 3.318 20.779 9.217 1.00 0.00 C ATOM 864 SG CYS A 59 5.006 20.224 9.654 1.00 0.00 S ATOM 0 H CYS A 59 2.090 22.033 7.444 1.00 0.00 H new ATOM 0 HA CYS A 59 3.804 19.818 7.407 1.00 0.00 H new ATOM 0 HB2 CYS A 59 3.293 21.866 9.136 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.619 20.502 10.007 1.00 0.00 H new ATOM 0 HG CYS A 59 5.364 20.768 10.779 1.00 0.00 H new ATOM 870 N VAL A 60 0.755 19.239 8.561 1.00 0.00 N ATOM 871 CA VAL A 60 -0.225 18.197 8.812 1.00 0.00 C ATOM 872 C VAL A 60 -0.461 17.404 7.525 1.00 0.00 C ATOM 873 O VAL A 60 -0.460 16.174 7.540 1.00 0.00 O ATOM 874 CB VAL A 60 -1.507 18.809 9.380 1.00 0.00 C ATOM 875 CG1 VAL A 60 -2.560 17.731 9.642 1.00 0.00 C ATOM 876 CG2 VAL A 60 -1.216 19.612 10.649 1.00 0.00 C ATOM 0 H VAL A 60 0.431 20.186 8.761 1.00 0.00 H new ATOM 0 HA VAL A 60 0.145 17.498 9.562 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.909 19.495 8.635 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.461 18.193 10.045 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.800 17.222 8.708 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.170 17.009 10.359 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.144 20.036 11.032 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.779 18.957 11.402 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.518 20.416 10.418 1.00 0.00 H new ATOM 886 N LEU A 61 -0.656 18.141 6.441 1.00 0.00 N ATOM 887 CA LEU A 61 -0.892 17.522 5.148 1.00 0.00 C ATOM 888 C LEU A 61 0.277 16.595 4.810 1.00 0.00 C ATOM 889 O LEU A 61 0.098 15.385 4.679 1.00 0.00 O ATOM 890 CB LEU A 61 -1.159 18.588 4.084 1.00 0.00 C ATOM 891 CG LEU A 61 -2.602 19.087 3.981 1.00 0.00 C ATOM 892 CD1 LEU A 61 -2.671 20.411 3.218 1.00 0.00 C ATOM 893 CD2 LEU A 61 -3.507 18.020 3.361 1.00 0.00 C ATOM 0 H LEU A 61 -0.655 19.161 6.432 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.790 16.905 5.180 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.513 19.443 4.285 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.864 18.187 3.114 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.971 19.277 4.989 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.707 20.743 3.159 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.078 21.163 3.739 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.277 20.272 2.211 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.527 18.399 3.299 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.149 17.776 2.361 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -3.490 17.124 3.981 1.00 0.00 H new ATOM 905 N ARG A 62 1.450 17.198 4.678 1.00 0.00 N ATOM 906 CA ARG A 62 2.648 16.442 4.357 1.00 0.00 C ATOM 907 C ARG A 62 2.740 15.194 5.238 1.00 0.00 C ATOM 908 O ARG A 62 3.245 14.159 4.805 1.00 0.00 O ATOM 909 CB ARG A 62 3.905 17.291 4.556 1.00 0.00 C ATOM 910 CG ARG A 62 4.167 18.176 3.336 1.00 0.00 C ATOM 911 CD ARG A 62 5.661 18.474 3.185 1.00 0.00 C ATOM 912 NE ARG A 62 6.179 17.848 1.948 1.00 0.00 N ATOM 913 CZ ARG A 62 7.458 17.912 1.553 1.00 0.00 C ATOM 914 NH1 ARG A 62 8.356 18.575 2.294 1.00 0.00 N ATOM 915 NH2 ARG A 62 7.839 17.314 0.416 1.00 0.00 N ATOM 0 H ARG A 62 1.596 18.202 4.788 1.00 0.00 H new ATOM 0 HA ARG A 62 2.584 16.148 3.309 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.791 17.913 5.444 1.00 0.00 H new ATOM 0 HB3 ARG A 62 4.763 16.642 4.730 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.799 17.681 2.437 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.614 19.110 3.435 1.00 0.00 H new ATOM 0 HD2 ARG A 62 5.824 19.551 3.153 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.205 18.095 4.050 1.00 0.00 H new ATOM 0 HE ARG A 62 5.522 17.336 1.360 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.066 19.031 3.159 1.00 0.00 H new ATOM 0 HH12 ARG A 62 9.329 18.623 1.993 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.156 16.810 -0.149 1.00 0.00 H new ATOM 0 HH22 ARG A 62 8.813 17.363 0.115 1.00 0.00 H new ATOM 929 N THR A 63 2.244 15.332 6.459 1.00 0.00 N ATOM 930 CA THR A 63 2.263 14.229 7.404 1.00 0.00 C ATOM 931 C THR A 63 1.166 13.218 7.067 1.00 0.00 C ATOM 932 O THR A 63 1.337 12.018 7.276 1.00 0.00 O ATOM 933 CB THR A 63 2.140 14.812 8.813 1.00 0.00 C ATOM 934 OG1 THR A 63 3.489 15.013 9.226 1.00 0.00 O ATOM 935 CG2 THR A 63 1.590 13.799 9.820 1.00 0.00 C ATOM 0 H THR A 63 1.826 16.192 6.815 1.00 0.00 H new ATOM 0 HA THR A 63 3.200 13.675 7.346 1.00 0.00 H new ATOM 0 HB THR A 63 1.492 15.688 8.787 1.00 0.00 H new ATOM 0 HG1 THR A 63 3.501 15.391 10.130 1.00 0.00 H new ATOM 0 HG21 THR A 63 1.523 14.264 10.804 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.599 13.473 9.504 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.256 12.938 9.870 1.00 0.00 H new ATOM 943 N LYS A 64 0.063 13.740 6.550 1.00 0.00 N ATOM 944 CA LYS A 64 -1.062 12.898 6.181 1.00 0.00 C ATOM 945 C LYS A 64 -0.746 12.178 4.869 1.00 0.00 C ATOM 946 O LYS A 64 -0.757 10.949 4.813 1.00 0.00 O ATOM 947 CB LYS A 64 -2.353 13.718 6.138 1.00 0.00 C ATOM 948 CG LYS A 64 -3.233 13.420 7.353 1.00 0.00 C ATOM 949 CD LYS A 64 -4.573 14.151 7.252 1.00 0.00 C ATOM 950 CE LYS A 64 -4.834 14.992 8.503 1.00 0.00 C ATOM 951 NZ LYS A 64 -5.842 14.337 9.367 1.00 0.00 N ATOM 0 H LYS A 64 -0.075 14.736 6.378 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.226 12.128 6.935 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.112 14.781 6.111 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.901 13.492 5.223 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -3.405 12.346 7.427 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -2.717 13.724 8.264 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -4.576 14.793 6.371 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.377 13.427 7.122 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -3.905 15.129 9.057 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.182 15.984 8.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.007 14.921 10.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.733 14.229 8.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -5.495 13.400 9.656 1.00 0.00 H new ATOM 965 N ILE A 65 -0.471 12.973 3.846 1.00 0.00 N ATOM 966 CA ILE A 65 -0.153 12.427 2.538 1.00 0.00 C ATOM 967 C ILE A 65 0.838 11.272 2.700 1.00 0.00 C ATOM 968 O ILE A 65 0.508 10.122 2.414 1.00 0.00 O ATOM 969 CB ILE A 65 0.339 13.532 1.601 1.00 0.00 C ATOM 970 CG1 ILE A 65 -0.836 14.325 1.025 1.00 0.00 C ATOM 971 CG2 ILE A 65 1.238 12.960 0.503 1.00 0.00 C ATOM 972 CD1 ILE A 65 -0.490 15.811 0.911 1.00 0.00 C ATOM 0 H ILE A 65 -0.462 13.992 3.896 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.047 12.018 2.068 1.00 0.00 H new ATOM 0 HB ILE A 65 0.944 14.228 2.182 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.098 13.932 0.042 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.711 14.199 1.662 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.574 13.766 -0.149 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.103 12.476 0.956 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.679 12.230 -0.082 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.342 16.352 0.499 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.252 16.206 1.899 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.371 15.935 0.254 1.00 0.00 H new ATOM 984 N SER A 66 2.032 11.618 3.158 1.00 0.00 N ATOM 985 CA SER A 66 3.073 10.625 3.361 1.00 0.00 C ATOM 986 C SER A 66 2.538 9.475 4.218 1.00 0.00 C ATOM 987 O SER A 66 2.704 8.307 3.869 1.00 0.00 O ATOM 988 CB SER A 66 4.307 11.247 4.017 1.00 0.00 C ATOM 989 OG SER A 66 3.986 11.912 5.236 1.00 0.00 O ATOM 0 H SER A 66 2.302 12.573 3.394 1.00 0.00 H new ATOM 0 HA SER A 66 3.370 10.236 2.387 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.045 10.469 4.212 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.766 11.956 3.327 1.00 0.00 H new ATOM 0 HG SER A 66 4.030 12.882 5.101 1.00 0.00 H new ATOM 995 N GLY A 67 1.909 9.846 5.323 1.00 0.00 N ATOM 996 CA GLY A 67 1.349 8.861 6.232 1.00 0.00 C ATOM 997 C GLY A 67 0.406 7.908 5.495 1.00 0.00 C ATOM 998 O GLY A 67 0.219 6.767 5.915 1.00 0.00 O ATOM 0 H GLY A 67 1.775 10.816 5.610 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.154 8.293 6.699 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.809 9.366 7.033 1.00 0.00 H new ATOM 1002 N TYR A 68 -0.162 8.411 4.410 1.00 0.00 N ATOM 1003 CA TYR A 68 -1.081 7.619 3.610 1.00 0.00 C ATOM 1004 C TYR A 68 -0.360 6.968 2.428 1.00 0.00 C ATOM 1005 O TYR A 68 -0.891 6.055 1.798 1.00 0.00 O ATOM 1006 CB TYR A 68 -2.128 8.599 3.076 1.00 0.00 C ATOM 1007 CG TYR A 68 -3.073 9.145 4.149 1.00 0.00 C ATOM 1008 CD1 TYR A 68 -3.732 8.276 4.995 1.00 0.00 C ATOM 1009 CD2 TYR A 68 -3.267 10.506 4.269 1.00 0.00 C ATOM 1010 CE1 TYR A 68 -4.621 8.790 6.004 1.00 0.00 C ATOM 1011 CE2 TYR A 68 -4.157 11.020 5.278 1.00 0.00 C ATOM 1012 CZ TYR A 68 -4.790 10.137 6.096 1.00 0.00 C ATOM 1013 OH TYR A 68 -5.630 10.622 7.049 1.00 0.00 O ATOM 0 H TYR A 68 -0.004 9.358 4.065 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.521 6.822 4.209 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -1.618 9.434 2.596 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -2.718 8.101 2.306 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -3.581 7.211 4.900 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.752 11.186 3.606 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -5.142 8.121 6.673 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -4.318 12.083 5.383 1.00 0.00 H new ATOM 0 HH TYR A 68 -5.636 10.016 7.819 1.00 0.00 H new ATOM 1023 N MET A 69 0.840 7.464 2.163 1.00 0.00 N ATOM 1024 CA MET A 69 1.640 6.943 1.068 1.00 0.00 C ATOM 1025 C MET A 69 2.394 5.680 1.492 1.00 0.00 C ATOM 1026 O MET A 69 2.565 4.758 0.696 1.00 0.00 O ATOM 1027 CB MET A 69 2.641 8.007 0.615 1.00 0.00 C ATOM 1028 CG MET A 69 1.937 9.136 -0.141 1.00 0.00 C ATOM 1029 SD MET A 69 3.011 9.781 -1.413 1.00 0.00 S ATOM 1030 CE MET A 69 2.822 8.510 -2.652 1.00 0.00 C ATOM 0 H MET A 69 1.277 8.221 2.688 1.00 0.00 H new ATOM 0 HA MET A 69 0.972 6.686 0.246 1.00 0.00 H new ATOM 0 HB2 MET A 69 3.161 8.414 1.482 1.00 0.00 H new ATOM 0 HB3 MET A 69 3.396 7.552 -0.025 1.00 0.00 H new ATOM 0 HG2 MET A 69 1.013 8.766 -0.586 1.00 0.00 H new ATOM 0 HG3 MET A 69 1.661 9.931 0.551 1.00 0.00 H new ATOM 0 HE1 MET A 69 3.802 8.232 -3.041 1.00 0.00 H new ATOM 0 HE2 MET A 69 2.347 7.636 -2.207 1.00 0.00 H new ATOM 0 HE3 MET A 69 2.202 8.885 -3.466 1.00 0.00 H new ATOM 1040 N ASP A 70 2.824 5.679 2.746 1.00 0.00 N ATOM 1041 CA ASP A 70 3.555 4.546 3.285 1.00 0.00 C ATOM 1042 C ASP A 70 2.657 3.307 3.261 1.00 0.00 C ATOM 1043 O ASP A 70 3.066 2.249 2.786 1.00 0.00 O ATOM 1044 CB ASP A 70 3.972 4.799 4.735 1.00 0.00 C ATOM 1045 CG ASP A 70 4.544 3.582 5.465 1.00 0.00 C ATOM 1046 OD1 ASP A 70 5.722 3.262 5.197 1.00 0.00 O ATOM 1047 OD2 ASP A 70 3.791 3.000 6.276 1.00 0.00 O ATOM 0 H ASP A 70 2.680 6.445 3.404 1.00 0.00 H new ATOM 0 HA ASP A 70 4.445 4.398 2.674 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.716 5.595 4.750 1.00 0.00 H new ATOM 0 HB3 ASP A 70 3.106 5.162 5.288 1.00 0.00 H new ATOM 1052 N ARG A 71 1.450 3.480 3.779 1.00 0.00 N ATOM 1053 CA ARG A 71 0.490 2.390 3.822 1.00 0.00 C ATOM 1054 C ARG A 71 0.189 1.891 2.407 1.00 0.00 C ATOM 1055 O ARG A 71 0.145 0.686 2.166 1.00 0.00 O ATOM 1056 CB ARG A 71 -0.814 2.830 4.490 1.00 0.00 C ATOM 1057 CG ARG A 71 -1.664 1.620 4.882 1.00 0.00 C ATOM 1058 CD ARG A 71 -0.833 0.592 5.653 1.00 0.00 C ATOM 1059 NE ARG A 71 -1.717 -0.246 6.493 1.00 0.00 N ATOM 1060 CZ ARG A 71 -2.351 0.193 7.589 1.00 0.00 C ATOM 1061 NH1 ARG A 71 -2.202 1.465 7.984 1.00 0.00 N ATOM 1062 NH2 ARG A 71 -3.133 -0.639 8.290 1.00 0.00 N ATOM 0 H ARG A 71 1.115 4.359 4.173 1.00 0.00 H new ATOM 0 HA ARG A 71 0.930 1.584 4.409 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -0.591 3.424 5.376 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -1.377 3.470 3.811 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -2.505 1.945 5.494 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.080 1.158 3.987 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -0.278 -0.036 4.956 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -0.099 1.101 6.278 1.00 0.00 H new ATOM 0 HE ARG A 71 -1.852 -1.220 6.221 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -1.606 2.098 7.451 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.684 1.800 8.818 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -3.246 -1.607 7.990 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.615 -0.304 9.124 1.00 0.00 H new ATOM 1076 N ALA A 72 -0.012 2.844 1.509 1.00 0.00 N ATOM 1077 CA ALA A 72 -0.309 2.518 0.125 1.00 0.00 C ATOM 1078 C ALA A 72 0.838 1.686 -0.455 1.00 0.00 C ATOM 1079 O ALA A 72 0.624 0.569 -0.924 1.00 0.00 O ATOM 1080 CB ALA A 72 -0.552 3.806 -0.664 1.00 0.00 C ATOM 0 H ALA A 72 0.025 3.843 1.713 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.218 1.920 0.058 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.775 3.560 -1.702 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.394 4.345 -0.230 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.340 4.432 -0.623 1.00 0.00 H new ATOM 1086 N GLU A 73 2.029 2.264 -0.405 1.00 0.00 N ATOM 1087 CA GLU A 73 3.209 1.590 -0.919 1.00 0.00 C ATOM 1088 C GLU A 73 3.274 0.155 -0.392 1.00 0.00 C ATOM 1089 O GLU A 73 3.152 -0.798 -1.160 1.00 0.00 O ATOM 1090 CB GLU A 73 4.481 2.363 -0.563 1.00 0.00 C ATOM 1091 CG GLU A 73 5.025 3.114 -1.779 1.00 0.00 C ATOM 1092 CD GLU A 73 6.551 3.022 -1.843 1.00 0.00 C ATOM 1093 OE1 GLU A 73 7.156 2.877 -0.759 1.00 0.00 O ATOM 1094 OE2 GLU A 73 7.078 3.099 -2.974 1.00 0.00 O ATOM 0 H GLU A 73 2.202 3.191 -0.017 1.00 0.00 H new ATOM 0 HA GLU A 73 3.137 1.554 -2.006 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.269 3.069 0.240 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.237 1.673 -0.189 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.594 2.699 -2.690 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.722 4.160 -1.730 1.00 0.00 H new ATOM 1101 N ASN A 74 3.466 0.047 0.915 1.00 0.00 N ATOM 1102 CA ASN A 74 3.548 -1.256 1.553 1.00 0.00 C ATOM 1103 C ASN A 74 2.516 -2.194 0.924 1.00 0.00 C ATOM 1104 O ASN A 74 2.824 -3.343 0.614 1.00 0.00 O ATOM 1105 CB ASN A 74 3.246 -1.155 3.050 1.00 0.00 C ATOM 1106 CG ASN A 74 4.441 -1.622 3.883 1.00 0.00 C ATOM 1107 OD1 ASN A 74 4.568 -2.782 4.238 1.00 0.00 O ATOM 1108 ND2 ASN A 74 5.307 -0.655 4.175 1.00 0.00 N ATOM 0 H ASN A 74 3.567 0.840 1.549 1.00 0.00 H new ATOM 0 HA ASN A 74 4.560 -1.637 1.414 1.00 0.00 H new ATOM 0 HB2 ASN A 74 3.000 -0.125 3.306 1.00 0.00 H new ATOM 0 HB3 ASN A 74 2.372 -1.760 3.290 1.00 0.00 H new ATOM 0 HD21 ASN A 74 6.138 -0.865 4.728 1.00 0.00 H new ATOM 0 HD22 ASN A 74 5.140 0.296 3.846 1.00 0.00 H new ATOM 1115 N ILE A 75 1.312 -1.668 0.754 1.00 0.00 N ATOM 1116 CA ILE A 75 0.232 -2.444 0.167 1.00 0.00 C ATOM 1117 C ILE A 75 0.597 -2.809 -1.273 1.00 0.00 C ATOM 1118 O ILE A 75 0.721 -3.987 -1.606 1.00 0.00 O ATOM 1119 CB ILE A 75 -1.096 -1.695 0.294 1.00 0.00 C ATOM 1120 CG1 ILE A 75 -1.620 -1.748 1.731 1.00 0.00 C ATOM 1121 CG2 ILE A 75 -2.122 -2.224 -0.710 1.00 0.00 C ATOM 1122 CD1 ILE A 75 -2.797 -0.788 1.920 1.00 0.00 C ATOM 0 H ILE A 75 1.060 -0.714 1.012 1.00 0.00 H new ATOM 0 HA ILE A 75 0.097 -3.380 0.709 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.921 -0.646 0.053 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.933 -2.764 1.971 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.819 -1.489 2.424 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.057 -1.675 -0.599 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.742 -2.091 -1.723 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -2.299 -3.283 -0.525 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -3.151 -0.845 2.949 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -2.475 0.230 1.703 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -3.605 -1.065 1.243 1.00 0.00 H new ATOM 1134 N LYS A 76 0.758 -1.778 -2.089 1.00 0.00 N ATOM 1135 CA LYS A 76 1.107 -1.976 -3.486 1.00 0.00 C ATOM 1136 C LYS A 76 2.246 -2.992 -3.584 1.00 0.00 C ATOM 1137 O LYS A 76 2.153 -3.964 -4.332 1.00 0.00 O ATOM 1138 CB LYS A 76 1.418 -0.636 -4.155 1.00 0.00 C ATOM 1139 CG LYS A 76 0.208 -0.117 -4.934 1.00 0.00 C ATOM 1140 CD LYS A 76 0.571 0.151 -6.396 1.00 0.00 C ATOM 1141 CE LYS A 76 1.224 1.525 -6.555 1.00 0.00 C ATOM 1142 NZ LYS A 76 0.814 2.149 -7.833 1.00 0.00 N ATOM 0 H LYS A 76 0.653 -0.803 -1.810 1.00 0.00 H new ATOM 0 HA LYS A 76 0.262 -2.391 -4.035 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.708 0.093 -3.399 1.00 0.00 H new ATOM 0 HB3 LYS A 76 2.267 -0.751 -4.829 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.601 -0.846 -4.884 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.160 0.800 -4.473 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.251 -0.622 -6.753 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.326 0.097 -7.013 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.940 2.168 -5.722 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.309 1.424 -6.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.266 3.081 -7.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.107 1.542 -8.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.220 2.263 -7.848 1.00 0.00 H new ATOM 1156 N LYS A 77 3.295 -2.733 -2.816 1.00 0.00 N ATOM 1157 CA LYS A 77 4.451 -3.613 -2.808 1.00 0.00 C ATOM 1158 C LYS A 77 3.998 -5.040 -2.489 1.00 0.00 C ATOM 1159 O LYS A 77 4.598 -6.005 -2.959 1.00 0.00 O ATOM 1160 CB LYS A 77 5.523 -3.080 -1.854 1.00 0.00 C ATOM 1161 CG LYS A 77 6.432 -2.072 -2.560 1.00 0.00 C ATOM 1162 CD LYS A 77 5.758 -0.702 -2.659 1.00 0.00 C ATOM 1163 CE LYS A 77 4.759 -0.664 -3.817 1.00 0.00 C ATOM 1164 NZ LYS A 77 5.171 0.338 -4.824 1.00 0.00 N ATOM 0 H LYS A 77 3.368 -1.927 -2.196 1.00 0.00 H new ATOM 0 HA LYS A 77 4.917 -3.639 -3.793 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.048 -2.607 -0.995 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.120 -3.908 -1.472 1.00 0.00 H new ATOM 0 HG2 LYS A 77 7.372 -1.981 -2.015 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.676 -2.434 -3.559 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.245 -0.477 -1.724 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.514 0.070 -2.801 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.693 -1.648 -4.281 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.765 -0.422 -3.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.482 0.351 -5.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.211 1.278 -4.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.110 0.090 -5.196 1.00 0.00 H new ATOM 1178 N TYR A 78 2.943 -5.127 -1.692 1.00 0.00 N ATOM 1179 CA TYR A 78 2.403 -6.419 -1.304 1.00 0.00 C ATOM 1180 C TYR A 78 1.394 -6.924 -2.338 1.00 0.00 C ATOM 1181 O TYR A 78 1.167 -8.127 -2.453 1.00 0.00 O ATOM 1182 CB TYR A 78 1.683 -6.194 0.027 1.00 0.00 C ATOM 1183 CG TYR A 78 0.423 -7.042 0.204 1.00 0.00 C ATOM 1184 CD1 TYR A 78 0.526 -8.352 0.624 1.00 0.00 C ATOM 1185 CD2 TYR A 78 -0.818 -6.497 -0.057 1.00 0.00 C ATOM 1186 CE1 TYR A 78 -0.660 -9.151 0.791 1.00 0.00 C ATOM 1187 CE2 TYR A 78 -2.005 -7.296 0.110 1.00 0.00 C ATOM 1188 CZ TYR A 78 -1.867 -8.583 0.526 1.00 0.00 C ATOM 1189 OH TYR A 78 -2.988 -9.338 0.683 1.00 0.00 O ATOM 0 H TYR A 78 2.448 -4.324 -1.304 1.00 0.00 H new ATOM 0 HA TYR A 78 3.199 -7.160 -1.228 1.00 0.00 H new ATOM 0 HB2 TYR A 78 2.373 -6.412 0.843 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.414 -5.141 0.109 1.00 0.00 H new ATOM 0 HD1 TYR A 78 1.497 -8.779 0.828 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.899 -5.472 -0.386 1.00 0.00 H new ATOM 0 HE1 TYR A 78 -0.593 -10.178 1.119 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -2.982 -6.882 -0.091 1.00 0.00 H new ATOM 0 HH TYR A 78 -2.964 -10.093 0.059 1.00 0.00 H new ATOM 1199 N LEU A 79 0.814 -5.978 -3.062 1.00 0.00 N ATOM 1200 CA LEU A 79 -0.166 -6.311 -4.082 1.00 0.00 C ATOM 1201 C LEU A 79 0.558 -6.789 -5.342 1.00 0.00 C ATOM 1202 O LEU A 79 0.146 -7.765 -5.967 1.00 0.00 O ATOM 1203 CB LEU A 79 -1.109 -5.131 -4.324 1.00 0.00 C ATOM 1204 CG LEU A 79 -1.965 -4.700 -3.132 1.00 0.00 C ATOM 1205 CD1 LEU A 79 -2.792 -3.459 -3.470 1.00 0.00 C ATOM 1206 CD2 LEU A 79 -2.840 -5.855 -2.639 1.00 0.00 C ATOM 0 H LEU A 79 1.004 -4.981 -2.962 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.800 -7.132 -3.748 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -0.514 -4.276 -4.646 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.773 -5.386 -5.149 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.298 -4.429 -2.314 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.391 -3.174 -2.605 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.125 -2.639 -3.735 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.450 -3.678 -4.311 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.438 -5.522 -1.791 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -3.500 -6.181 -3.443 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.206 -6.686 -2.331 1.00 0.00 H new ATOM 1218 N ASP A 80 1.624 -6.078 -5.679 1.00 0.00 N ATOM 1219 CA ASP A 80 2.409 -6.417 -6.854 1.00 0.00 C ATOM 1220 C ASP A 80 2.914 -7.856 -6.727 1.00 0.00 C ATOM 1221 O ASP A 80 2.930 -8.600 -7.706 1.00 0.00 O ATOM 1222 CB ASP A 80 3.626 -5.499 -6.987 1.00 0.00 C ATOM 1223 CG ASP A 80 4.445 -5.692 -8.265 1.00 0.00 C ATOM 1224 OD1 ASP A 80 4.318 -6.783 -8.861 1.00 0.00 O ATOM 1225 OD2 ASP A 80 5.180 -4.744 -8.616 1.00 0.00 O ATOM 0 H ASP A 80 1.963 -5.269 -5.159 1.00 0.00 H new ATOM 0 HA ASP A 80 1.772 -6.300 -7.730 1.00 0.00 H new ATOM 0 HB2 ASP A 80 3.288 -4.464 -6.943 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.278 -5.658 -6.128 1.00 0.00 H new ATOM 1230 N GLN A 81 3.313 -8.204 -5.512 1.00 0.00 N ATOM 1231 CA GLN A 81 3.817 -9.540 -5.245 1.00 0.00 C ATOM 1232 C GLN A 81 2.660 -10.538 -5.169 1.00 0.00 C ATOM 1233 O GLN A 81 2.757 -11.648 -5.691 1.00 0.00 O ATOM 1234 CB GLN A 81 4.648 -9.566 -3.961 1.00 0.00 C ATOM 1235 CG GLN A 81 3.783 -9.244 -2.741 1.00 0.00 C ATOM 1236 CD GLN A 81 4.618 -9.249 -1.459 1.00 0.00 C ATOM 1237 OE1 GLN A 81 5.824 -9.062 -1.472 1.00 0.00 O ATOM 1238 NE2 GLN A 81 3.912 -9.472 -0.354 1.00 0.00 N ATOM 0 H GLN A 81 3.297 -7.584 -4.702 1.00 0.00 H new ATOM 0 HA GLN A 81 4.470 -9.832 -6.067 1.00 0.00 H new ATOM 0 HB2 GLN A 81 5.104 -10.548 -3.839 1.00 0.00 H new ATOM 0 HB3 GLN A 81 5.461 -8.844 -4.035 1.00 0.00 H new ATOM 0 HG2 GLN A 81 3.315 -8.268 -2.870 1.00 0.00 H new ATOM 0 HG3 GLN A 81 2.979 -9.975 -2.658 1.00 0.00 H new ATOM 0 HE21 GLN A 81 2.905 -9.621 -0.414 1.00 0.00 H new ATOM 0 HE22 GLN A 81 4.378 -9.494 0.553 1.00 0.00 H new ATOM 1247 N GLU A 82 1.591 -10.108 -4.515 1.00 0.00 N ATOM 1248 CA GLU A 82 0.416 -10.950 -4.364 1.00 0.00 C ATOM 1249 C GLU A 82 -0.162 -11.305 -5.736 1.00 0.00 C ATOM 1250 O GLU A 82 -0.760 -12.366 -5.905 1.00 0.00 O ATOM 1251 CB GLU A 82 -0.636 -10.271 -3.485 1.00 0.00 C ATOM 1252 CG GLU A 82 -0.244 -10.340 -2.008 1.00 0.00 C ATOM 1253 CD GLU A 82 -1.037 -11.427 -1.280 1.00 0.00 C ATOM 1254 OE1 GLU A 82 -2.283 -11.361 -1.346 1.00 0.00 O ATOM 1255 OE2 GLU A 82 -0.378 -12.301 -0.675 1.00 0.00 O ATOM 0 H GLU A 82 1.514 -9.187 -4.083 1.00 0.00 H new ATOM 0 HA GLU A 82 0.716 -11.873 -3.867 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.750 -9.230 -3.786 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -1.603 -10.753 -3.631 1.00 0.00 H new ATOM 0 HG2 GLU A 82 0.823 -10.543 -1.921 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -0.424 -9.375 -1.535 1.00 0.00 H new ATOM 1262 N LYS A 83 0.038 -10.397 -6.680 1.00 0.00 N ATOM 1263 CA LYS A 83 -0.456 -10.602 -8.031 1.00 0.00 C ATOM 1264 C LYS A 83 0.266 -11.796 -8.658 1.00 0.00 C ATOM 1265 O LYS A 83 -0.369 -12.773 -9.052 1.00 0.00 O ATOM 1266 CB LYS A 83 -0.335 -9.313 -8.846 1.00 0.00 C ATOM 1267 CG LYS A 83 -1.704 -8.660 -9.046 1.00 0.00 C ATOM 1268 CD LYS A 83 -1.703 -7.750 -10.276 1.00 0.00 C ATOM 1269 CE LYS A 83 -2.209 -8.498 -11.512 1.00 0.00 C ATOM 1270 NZ LYS A 83 -1.311 -8.262 -12.664 1.00 0.00 N ATOM 0 H LYS A 83 0.535 -9.518 -6.536 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.519 -10.844 -8.016 1.00 0.00 H new ATOM 0 HB2 LYS A 83 0.332 -8.618 -8.337 1.00 0.00 H new ATOM 0 HB3 LYS A 83 0.112 -9.532 -9.815 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -2.466 -9.431 -9.161 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.967 -8.081 -8.161 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.333 -6.880 -10.090 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -0.694 -7.380 -10.458 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.266 -9.566 -11.300 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.218 -8.167 -11.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.669 -8.776 -13.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.278 -7.244 -12.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.355 -8.599 -12.433 1.00 0.00 H new ATOM 1284 N GLU A 84 1.584 -11.678 -8.731 1.00 0.00 N ATOM 1285 CA GLU A 84 2.399 -12.736 -9.304 1.00 0.00 C ATOM 1286 C GLU A 84 2.351 -13.982 -8.417 1.00 0.00 C ATOM 1287 O GLU A 84 2.538 -15.099 -8.898 1.00 0.00 O ATOM 1288 CB GLU A 84 3.840 -12.267 -9.511 1.00 0.00 C ATOM 1289 CG GLU A 84 4.585 -12.176 -8.178 1.00 0.00 C ATOM 1290 CD GLU A 84 6.083 -11.960 -8.401 1.00 0.00 C ATOM 1291 OE1 GLU A 84 6.470 -10.783 -8.563 1.00 0.00 O ATOM 1292 OE2 GLU A 84 6.809 -12.979 -8.404 1.00 0.00 O ATOM 0 H GLU A 84 2.107 -10.866 -8.403 1.00 0.00 H new ATOM 0 HA GLU A 84 1.991 -12.993 -10.282 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.359 -12.958 -10.175 1.00 0.00 H new ATOM 0 HB3 GLU A 84 3.842 -11.293 -10.000 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.180 -11.355 -7.586 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.427 -13.090 -7.606 1.00 0.00 H new ATOM 1299 N ASP A 85 2.100 -13.749 -7.137 1.00 0.00 N ATOM 1300 CA ASP A 85 2.025 -14.839 -6.178 1.00 0.00 C ATOM 1301 C ASP A 85 0.611 -15.423 -6.187 1.00 0.00 C ATOM 1302 O ASP A 85 0.266 -16.235 -5.329 1.00 0.00 O ATOM 1303 CB ASP A 85 2.325 -14.347 -4.761 1.00 0.00 C ATOM 1304 CG ASP A 85 3.789 -13.988 -4.497 1.00 0.00 C ATOM 1305 OD1 ASP A 85 4.550 -13.947 -5.488 1.00 0.00 O ATOM 1306 OD2 ASP A 85 4.113 -13.764 -3.311 1.00 0.00 O ATOM 0 H ASP A 85 1.946 -12.822 -6.741 1.00 0.00 H new ATOM 0 HA ASP A 85 2.762 -15.590 -6.462 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.710 -13.470 -4.559 1.00 0.00 H new ATOM 0 HB3 ASP A 85 2.023 -15.119 -4.053 1.00 0.00 H new ATOM 1311 N GLY A 86 -0.170 -14.987 -7.165 1.00 0.00 N ATOM 1312 CA GLY A 86 -1.538 -15.457 -7.296 1.00 0.00 C ATOM 1313 C GLY A 86 -1.586 -16.981 -7.420 1.00 0.00 C ATOM 1314 O GLY A 86 -2.572 -17.609 -7.038 1.00 0.00 O ATOM 0 H GLY A 86 0.119 -14.313 -7.874 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -2.119 -15.141 -6.430 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.000 -15.003 -8.173 1.00 0.00 H new ATOM 1318 N LYS A 87 -0.507 -17.533 -7.956 1.00 0.00 N ATOM 1319 CA LYS A 87 -0.413 -18.971 -8.136 1.00 0.00 C ATOM 1320 C LYS A 87 -1.768 -19.513 -8.596 1.00 0.00 C ATOM 1321 O LYS A 87 -2.344 -20.386 -7.948 1.00 0.00 O ATOM 1322 CB LYS A 87 0.116 -19.637 -6.864 1.00 0.00 C ATOM 1323 CG LYS A 87 1.432 -18.998 -6.417 1.00 0.00 C ATOM 1324 CD LYS A 87 2.540 -19.250 -7.442 1.00 0.00 C ATOM 1325 CE LYS A 87 2.847 -20.744 -7.560 1.00 0.00 C ATOM 1326 NZ LYS A 87 4.246 -20.953 -7.995 1.00 0.00 N ATOM 0 H LYS A 87 0.310 -17.010 -8.271 1.00 0.00 H new ATOM 0 HA LYS A 87 0.308 -19.211 -8.917 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.624 -19.549 -6.068 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.267 -20.702 -7.042 1.00 0.00 H new ATOM 0 HG2 LYS A 87 1.293 -17.925 -6.283 1.00 0.00 H new ATOM 0 HG3 LYS A 87 1.727 -19.404 -5.450 1.00 0.00 H new ATOM 0 HD2 LYS A 87 2.237 -18.859 -8.414 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.441 -18.712 -7.149 1.00 0.00 H new ATOM 0 HE2 LYS A 87 2.682 -21.232 -6.600 1.00 0.00 H new ATOM 0 HE3 LYS A 87 2.165 -21.206 -8.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.438 -21.972 -8.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 4.392 -20.504 -8.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.893 -20.529 -7.299 1.00 0.00 H new ATOM 1340 N SER A 88 -2.237 -18.974 -9.711 1.00 0.00 N ATOM 1341 CA SER A 88 -3.513 -19.393 -10.265 1.00 0.00 C ATOM 1342 C SER A 88 -3.378 -20.777 -10.903 1.00 0.00 C ATOM 1343 O SER A 88 -2.374 -21.071 -11.549 1.00 0.00 O ATOM 1344 CB SER A 88 -4.025 -18.382 -11.294 1.00 0.00 C ATOM 1345 OG SER A 88 -4.570 -17.220 -10.675 1.00 0.00 O ATOM 0 H SER A 88 -1.756 -18.251 -10.246 1.00 0.00 H new ATOM 0 HA SER A 88 -4.238 -19.444 -9.453 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.208 -18.092 -11.954 1.00 0.00 H new ATOM 0 HB3 SER A 88 -4.786 -18.852 -11.916 1.00 0.00 H new ATOM 0 HG SER A 88 -4.884 -16.599 -11.365 1.00 0.00 H new ATOM 1351 N GLY A 89 -4.404 -21.590 -10.698 1.00 0.00 N ATOM 1352 CA GLY A 89 -4.413 -22.936 -11.245 1.00 0.00 C ATOM 1353 C GLY A 89 -5.209 -22.993 -12.550 1.00 0.00 C ATOM 1354 O GLY A 89 -5.469 -21.962 -13.168 1.00 0.00 O ATOM 0 H GLY A 89 -5.235 -21.342 -10.161 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.390 -23.266 -11.424 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -4.847 -23.624 -10.520 1.00 0.00 H new ATOM 1358 N PRO A 90 -5.584 -24.241 -12.941 1.00 0.00 N ATOM 1359 CA PRO A 90 -6.346 -24.445 -14.161 1.00 0.00 C ATOM 1360 C PRO A 90 -7.806 -24.028 -13.973 1.00 0.00 C ATOM 1361 O PRO A 90 -8.716 -24.829 -14.181 1.00 0.00 O ATOM 1362 CB PRO A 90 -6.187 -25.923 -14.480 1.00 0.00 C ATOM 1363 CG PRO A 90 -5.734 -26.583 -13.188 1.00 0.00 C ATOM 1364 CD PRO A 90 -5.294 -25.484 -12.234 1.00 0.00 C ATOM 0 HA PRO A 90 -5.989 -23.831 -14.988 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -7.127 -26.351 -14.828 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -5.455 -26.075 -15.273 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.546 -27.165 -12.752 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -4.913 -27.274 -13.379 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.837 -25.538 -11.290 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.233 -25.567 -11.997 1.00 0.00 H new ATOM 1372 N SER A 91 -7.984 -22.775 -13.582 1.00 0.00 N ATOM 1373 CA SER A 91 -9.317 -22.241 -13.363 1.00 0.00 C ATOM 1374 C SER A 91 -9.789 -21.486 -14.607 1.00 0.00 C ATOM 1375 O SER A 91 -9.696 -20.261 -14.667 1.00 0.00 O ATOM 1376 CB SER A 91 -9.349 -21.322 -12.141 1.00 0.00 C ATOM 1377 OG SER A 91 -10.656 -20.813 -11.889 1.00 0.00 O ATOM 0 H SER A 91 -7.227 -22.114 -13.411 1.00 0.00 H new ATOM 0 HA SER A 91 -9.992 -23.075 -13.174 1.00 0.00 H new ATOM 0 HB2 SER A 91 -8.999 -21.870 -11.266 1.00 0.00 H new ATOM 0 HB3 SER A 91 -8.660 -20.491 -12.294 1.00 0.00 H new ATOM 0 HG SER A 91 -10.634 -20.232 -11.100 1.00 0.00 H new ATOM 1383 N SER A 92 -10.285 -22.249 -15.571 1.00 0.00 N ATOM 1384 CA SER A 92 -10.772 -21.667 -16.810 1.00 0.00 C ATOM 1385 C SER A 92 -9.755 -20.659 -17.349 1.00 0.00 C ATOM 1386 O SER A 92 -9.929 -19.451 -17.191 1.00 0.00 O ATOM 1387 CB SER A 92 -12.130 -20.994 -16.606 1.00 0.00 C ATOM 1388 OG SER A 92 -12.733 -20.623 -17.843 1.00 0.00 O ATOM 0 H SER A 92 -10.360 -23.265 -15.519 1.00 0.00 H new ATOM 0 HA SER A 92 -10.900 -22.468 -17.537 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.793 -21.671 -16.068 1.00 0.00 H new ATOM 0 HB3 SER A 92 -12.006 -20.108 -15.983 1.00 0.00 H new ATOM 0 HG SER A 92 -13.599 -20.198 -17.670 1.00 0.00 H new ATOM 1394 N GLY A 93 -8.716 -21.191 -17.975 1.00 0.00 N ATOM 1395 CA GLY A 93 -7.672 -20.353 -18.539 1.00 0.00 C ATOM 1396 C GLY A 93 -6.931 -21.081 -19.663 1.00 0.00 C ATOM 1397 O GLY A 93 -7.556 -21.649 -20.557 1.00 0.00 O ATOM 0 H GLY A 93 -8.575 -22.193 -18.104 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -8.109 -19.432 -18.924 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -6.967 -20.069 -17.758 1.00 0.00 H new TER 1401 GLY A 93