USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 602 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 24 SER OG : rot 180:sc= 0.904 USER MOD Set 1.2: A 68 GLN : amide:sc= -6.16! C(o=-3.2!,f=-15!) USER MOD Set 1.3: A 94 LYS NZ :NH3+ -172:sc= 2.09 (180deg=0) USER MOD Set 2.1: A 12 THR OG1 : rot 180:sc= -0.0152 USER MOD Set 2.2: A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 44:sc= 0.109 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= 0.0946 X(o=0.095,f=-0.0089) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.194 K(o=-0.19,f=-3.4!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.621 X(o=-0.62,f=-0.16) USER MOD Single : A 36 SER OG : rot 100:sc= 0.38 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -166:sc= 2.39 (180deg=1.66) USER MOD Single : A 49 GLN : amide:sc= -3.14! K(o=-3.1!,f=-1.7) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -28:sc= 0.262 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -118:sc= 1.18 (180deg=0.44) USER MOD Single : A 69 SER OG : rot 104:sc= 0.761 USER MOD Single : A 71 SER OG : rot 93:sc= 1.06 USER MOD Single : A 72 THR OG1 : rot -86:sc= 1.04 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -171:sc= 0.214 (180deg=0.135) USER MOD Single : A 85 LYS NZ :NH3+ 153:sc= 1.05 (180deg=0.597) USER MOD Single : A 88 THR OG1 : rot 63:sc= 0.052 USER MOD Single : A 92 SER OG : rot -33:sc= -0.0192 USER MOD Single : A 98 SER OG : rot 180:sc= -0.169 USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 156:sc= 1.88 (180deg=1.77) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.314 -12.167 -12.394 1.00 0.00 N ATOM 2 CA GLY A 1 -10.797 -13.228 -11.489 1.00 0.00 C ATOM 3 C GLY A 1 -9.448 -12.873 -10.897 1.00 0.00 C ATOM 4 O GLY A 1 -8.439 -13.519 -11.206 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.238 -12.455 -12.774 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.420 -11.279 -11.863 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.646 -12.024 -13.178 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.512 -13.395 -10.683 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.714 -14.164 -12.041 1.00 0.00 H new ATOM 7 N SER A 2 -9.437 -11.844 -10.044 1.00 0.00 N ATOM 8 CA SER A 2 -8.223 -11.352 -9.380 1.00 0.00 C ATOM 9 C SER A 2 -7.055 -11.197 -10.358 1.00 0.00 C ATOM 10 O SER A 2 -6.106 -11.987 -10.350 1.00 0.00 O ATOM 11 CB SER A 2 -7.841 -12.245 -8.180 1.00 0.00 C ATOM 12 OG SER A 2 -7.770 -13.624 -8.544 1.00 0.00 O ATOM 0 H SER A 2 -10.277 -11.324 -9.792 1.00 0.00 H new ATOM 0 HA SER A 2 -8.448 -10.357 -8.996 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.879 -11.925 -7.781 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.575 -12.117 -7.384 1.00 0.00 H new ATOM 0 HG SER A 2 -7.302 -13.713 -9.400 1.00 0.00 H new ATOM 18 N MET A 3 -7.149 -10.198 -11.217 1.00 0.00 N ATOM 19 CA MET A 3 -6.114 -9.949 -12.204 1.00 0.00 C ATOM 20 C MET A 3 -5.989 -8.463 -12.499 1.00 0.00 C ATOM 21 O MET A 3 -6.747 -7.642 -11.964 1.00 0.00 O ATOM 22 CB MET A 3 -6.409 -10.718 -13.498 1.00 0.00 C ATOM 23 CG MET A 3 -7.724 -10.337 -14.161 1.00 0.00 C ATOM 24 SD MET A 3 -8.046 -11.287 -15.660 1.00 0.00 S ATOM 25 CE MET A 3 -9.611 -10.580 -16.176 1.00 0.00 C ATOM 0 H MET A 3 -7.932 -9.545 -11.251 1.00 0.00 H new ATOM 0 HA MET A 3 -5.167 -10.299 -11.793 1.00 0.00 H new ATOM 0 HB2 MET A 3 -5.596 -10.546 -14.203 1.00 0.00 H new ATOM 0 HB3 MET A 3 -6.421 -11.786 -13.279 1.00 0.00 H new ATOM 0 HG2 MET A 3 -8.540 -10.491 -13.455 1.00 0.00 H new ATOM 0 HG3 MET A 3 -7.709 -9.275 -14.405 1.00 0.00 H new ATOM 0 HE1 MET A 3 -9.944 -11.065 -17.094 1.00 0.00 H new ATOM 0 HE2 MET A 3 -10.355 -10.733 -15.394 1.00 0.00 H new ATOM 0 HE3 MET A 3 -9.487 -9.512 -16.354 1.00 0.00 H new ATOM 35 N SER A 4 -5.033 -8.122 -13.336 1.00 0.00 N ATOM 36 CA SER A 4 -4.811 -6.753 -13.726 1.00 0.00 C ATOM 37 C SER A 4 -5.479 -6.476 -15.072 1.00 0.00 C ATOM 38 O SER A 4 -5.342 -7.259 -16.022 1.00 0.00 O ATOM 39 CB SER A 4 -3.306 -6.469 -13.798 1.00 0.00 C ATOM 40 OG SER A 4 -3.051 -5.108 -14.096 1.00 0.00 O ATOM 0 H SER A 4 -4.390 -8.788 -13.763 1.00 0.00 H new ATOM 0 HA SER A 4 -5.253 -6.091 -12.981 1.00 0.00 H new ATOM 0 HB2 SER A 4 -2.839 -6.729 -12.848 1.00 0.00 H new ATOM 0 HB3 SER A 4 -2.851 -7.101 -14.560 1.00 0.00 H new ATOM 0 HG SER A 4 -2.083 -4.957 -14.134 1.00 0.00 H new ATOM 46 N SER A 5 -6.209 -5.382 -15.142 1.00 0.00 N ATOM 47 CA SER A 5 -6.903 -5.000 -16.353 1.00 0.00 C ATOM 48 C SER A 5 -6.047 -4.043 -17.168 1.00 0.00 C ATOM 49 O SER A 5 -5.603 -3.008 -16.664 1.00 0.00 O ATOM 50 CB SER A 5 -8.235 -4.344 -15.999 1.00 0.00 C ATOM 51 OG SER A 5 -9.004 -5.185 -15.151 1.00 0.00 O ATOM 0 H SER A 5 -6.337 -4.735 -14.364 1.00 0.00 H new ATOM 0 HA SER A 5 -7.093 -5.892 -16.951 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.055 -3.389 -15.505 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.794 -4.131 -16.910 1.00 0.00 H new ATOM 0 HG SER A 5 -9.852 -4.744 -14.935 1.00 0.00 H new ATOM 57 N VAL A 6 -5.816 -4.384 -18.415 1.00 0.00 N ATOM 58 CA VAL A 6 -5.004 -3.564 -19.282 1.00 0.00 C ATOM 59 C VAL A 6 -5.861 -2.976 -20.407 1.00 0.00 C ATOM 60 O VAL A 6 -6.817 -3.606 -20.856 1.00 0.00 O ATOM 61 CB VAL A 6 -3.826 -4.383 -19.867 1.00 0.00 C ATOM 62 CG1 VAL A 6 -4.305 -5.435 -20.858 1.00 0.00 C ATOM 63 CG2 VAL A 6 -2.789 -3.478 -20.489 1.00 0.00 C ATOM 0 H VAL A 6 -6.182 -5.229 -18.853 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.588 -2.745 -18.695 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.356 -4.912 -19.038 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.449 -5.987 -21.245 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -4.985 -6.124 -20.357 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -4.825 -4.948 -21.683 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.974 -4.080 -20.891 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.245 -2.901 -21.294 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.398 -2.798 -19.732 1.00 0.00 H new ATOM 73 N PHE A 7 -5.539 -1.766 -20.843 1.00 0.00 N ATOM 74 CA PHE A 7 -6.311 -1.122 -21.903 1.00 0.00 C ATOM 75 C PHE A 7 -5.420 -0.592 -23.010 1.00 0.00 C ATOM 76 O PHE A 7 -5.902 -0.101 -24.027 1.00 0.00 O ATOM 77 CB PHE A 7 -7.188 0.006 -21.332 1.00 0.00 C ATOM 78 CG PHE A 7 -6.411 1.142 -20.710 1.00 0.00 C ATOM 79 CD1 PHE A 7 -6.113 2.280 -21.446 1.00 0.00 C ATOM 80 CD2 PHE A 7 -5.980 1.070 -19.394 1.00 0.00 C ATOM 81 CE1 PHE A 7 -5.402 3.321 -20.882 1.00 0.00 C ATOM 82 CE2 PHE A 7 -5.269 2.108 -18.826 1.00 0.00 C ATOM 83 CZ PHE A 7 -4.980 3.235 -19.570 1.00 0.00 C ATOM 0 H PHE A 7 -4.759 -1.214 -20.486 1.00 0.00 H new ATOM 0 HA PHE A 7 -6.959 -1.883 -22.338 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -7.814 0.404 -22.131 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -7.858 -0.414 -20.582 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -6.441 2.353 -22.472 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -6.203 0.192 -18.807 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -5.176 4.201 -21.466 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -4.939 2.039 -17.800 1.00 0.00 H new ATOM 0 HZ PHE A 7 -4.425 4.048 -19.126 1.00 0.00 H new ATOM 93 N GLY A 8 -4.132 -0.712 -22.825 1.00 0.00 N ATOM 94 CA GLY A 8 -3.213 -0.195 -23.808 1.00 0.00 C ATOM 95 C GLY A 8 -1.945 -1.004 -23.922 1.00 0.00 C ATOM 96 O GLY A 8 -1.454 -1.240 -25.021 1.00 0.00 O ATOM 0 H GLY A 8 -3.698 -1.156 -22.016 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.707 -0.168 -24.779 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -2.958 0.833 -23.552 1.00 0.00 H new ATOM 100 N ALA A 9 -1.426 -1.450 -22.795 1.00 0.00 N ATOM 101 CA ALA A 9 -0.177 -2.218 -22.771 1.00 0.00 C ATOM 102 C ALA A 9 -0.414 -3.689 -23.106 1.00 0.00 C ATOM 103 O ALA A 9 0.500 -4.507 -23.031 1.00 0.00 O ATOM 104 CB ALA A 9 0.500 -2.084 -21.416 1.00 0.00 C ATOM 0 H ALA A 9 -1.844 -1.298 -21.877 1.00 0.00 H new ATOM 0 HA ALA A 9 0.480 -1.807 -23.538 1.00 0.00 H new ATOM 0 HB1 ALA A 9 1.426 -2.659 -21.413 1.00 0.00 H new ATOM 0 HB2 ALA A 9 0.724 -1.035 -21.224 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -0.164 -2.462 -20.639 1.00 0.00 H new ATOM 110 N GLY A 10 -1.639 -4.010 -23.493 1.00 0.00 N ATOM 111 CA GLY A 10 -1.989 -5.372 -23.830 1.00 0.00 C ATOM 112 C GLY A 10 -1.602 -5.707 -25.243 1.00 0.00 C ATOM 113 O GLY A 10 -2.457 -5.975 -26.086 1.00 0.00 O ATOM 0 H GLY A 10 -2.405 -3.342 -23.580 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.492 -6.057 -23.143 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.062 -5.515 -23.702 1.00 0.00 H new ATOM 117 N CYS A 11 -0.322 -5.690 -25.504 1.00 0.00 N ATOM 118 CA CYS A 11 0.190 -5.947 -26.828 1.00 0.00 C ATOM 119 C CYS A 11 0.386 -7.452 -27.062 1.00 0.00 C ATOM 120 O CYS A 11 0.044 -8.271 -26.202 1.00 0.00 O ATOM 121 CB CYS A 11 1.492 -5.190 -27.031 1.00 0.00 C ATOM 122 SG CYS A 11 1.758 -4.659 -28.726 1.00 0.00 S ATOM 0 H CYS A 11 0.397 -5.498 -24.806 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.538 -5.596 -27.559 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.500 -4.316 -26.380 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.323 -5.824 -26.723 1.00 0.00 H new ATOM 127 N THR A 12 0.947 -7.810 -28.212 1.00 0.00 N ATOM 128 CA THR A 12 1.127 -9.210 -28.570 1.00 0.00 C ATOM 129 C THR A 12 2.454 -9.441 -29.302 1.00 0.00 C ATOM 130 O THR A 12 3.021 -8.520 -29.893 1.00 0.00 O ATOM 131 CB THR A 12 -0.035 -9.698 -29.474 1.00 0.00 C ATOM 132 OG1 THR A 12 0.156 -11.074 -29.834 1.00 0.00 O ATOM 133 CG2 THR A 12 -0.122 -8.853 -30.742 1.00 0.00 C ATOM 0 H THR A 12 1.285 -7.149 -28.912 1.00 0.00 H new ATOM 0 HA THR A 12 1.135 -9.777 -27.639 1.00 0.00 H new ATOM 0 HB THR A 12 -0.964 -9.596 -28.913 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.585 -11.369 -30.403 1.00 0.00 H new ATOM 0 HG21 THR A 12 -0.943 -9.212 -31.363 1.00 0.00 H new ATOM 0 HG22 THR A 12 -0.298 -7.811 -30.474 1.00 0.00 H new ATOM 0 HG23 THR A 12 0.813 -8.932 -31.297 1.00 0.00 H new ATOM 141 N ASP A 13 2.932 -10.682 -29.254 1.00 0.00 N ATOM 142 CA ASP A 13 4.152 -11.086 -29.951 1.00 0.00 C ATOM 143 C ASP A 13 3.918 -11.087 -31.457 1.00 0.00 C ATOM 144 O ASP A 13 4.831 -10.834 -32.242 1.00 0.00 O ATOM 145 CB ASP A 13 4.587 -12.483 -29.487 1.00 0.00 C ATOM 146 CG ASP A 13 5.768 -13.031 -30.271 1.00 0.00 C ATOM 147 OD1 ASP A 13 5.541 -13.724 -31.287 1.00 0.00 O ATOM 148 OD2 ASP A 13 6.927 -12.785 -29.868 1.00 0.00 O ATOM 0 H ASP A 13 2.486 -11.436 -28.732 1.00 0.00 H new ATOM 0 HA ASP A 13 4.943 -10.374 -29.716 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.848 -12.443 -28.429 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.746 -13.169 -29.582 1.00 0.00 H new ATOM 153 N THR A 14 2.671 -11.338 -31.846 1.00 0.00 N ATOM 154 CA THR A 14 2.269 -11.368 -33.250 1.00 0.00 C ATOM 155 C THR A 14 2.477 -9.998 -33.908 1.00 0.00 C ATOM 156 O THR A 14 2.523 -9.869 -35.135 1.00 0.00 O ATOM 157 CB THR A 14 0.787 -11.782 -33.363 1.00 0.00 C ATOM 158 OG1 THR A 14 0.585 -13.012 -32.656 1.00 0.00 O ATOM 159 CG2 THR A 14 0.371 -11.961 -34.814 1.00 0.00 C ATOM 0 H THR A 14 1.909 -11.527 -31.195 1.00 0.00 H new ATOM 0 HA THR A 14 2.891 -12.098 -33.769 1.00 0.00 H new ATOM 0 HB THR A 14 0.176 -10.990 -32.929 1.00 0.00 H new ATOM 0 HG1 THR A 14 -0.356 -13.278 -32.724 1.00 0.00 H new ATOM 0 HG21 THR A 14 -0.678 -12.253 -34.858 1.00 0.00 H new ATOM 0 HG22 THR A 14 0.510 -11.023 -35.351 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.983 -12.736 -35.275 1.00 0.00 H new ATOM 167 N CYS A 15 2.636 -9.000 -33.081 1.00 0.00 N ATOM 168 CA CYS A 15 2.830 -7.654 -33.532 1.00 0.00 C ATOM 169 C CYS A 15 4.312 -7.387 -33.811 1.00 0.00 C ATOM 170 O CYS A 15 4.682 -6.368 -34.379 1.00 0.00 O ATOM 171 CB CYS A 15 2.317 -6.711 -32.467 1.00 0.00 C ATOM 172 SG CYS A 15 2.386 -4.988 -32.919 1.00 0.00 S ATOM 0 H CYS A 15 2.634 -9.102 -32.066 1.00 0.00 H new ATOM 0 HA CYS A 15 2.283 -7.497 -34.461 1.00 0.00 H new ATOM 0 HB2 CYS A 15 1.285 -6.972 -32.233 1.00 0.00 H new ATOM 0 HB3 CYS A 15 2.897 -6.859 -31.556 1.00 0.00 H new ATOM 177 N LYS A 16 5.150 -8.316 -33.425 1.00 0.00 N ATOM 178 CA LYS A 16 6.581 -8.166 -33.599 1.00 0.00 C ATOM 179 C LYS A 16 7.063 -8.991 -34.775 1.00 0.00 C ATOM 180 O LYS A 16 8.246 -9.315 -34.882 1.00 0.00 O ATOM 181 CB LYS A 16 7.285 -8.601 -32.330 1.00 0.00 C ATOM 182 CG LYS A 16 6.778 -7.888 -31.095 1.00 0.00 C ATOM 183 CD LYS A 16 7.312 -8.519 -29.832 1.00 0.00 C ATOM 184 CE LYS A 16 8.808 -8.313 -29.685 1.00 0.00 C ATOM 185 NZ LYS A 16 9.305 -8.836 -28.391 1.00 0.00 N ATOM 0 H LYS A 16 4.868 -9.192 -32.985 1.00 0.00 H new ATOM 0 HA LYS A 16 6.810 -7.120 -33.802 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.156 -9.676 -32.200 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.355 -8.418 -32.434 1.00 0.00 H new ATOM 0 HG2 LYS A 16 7.074 -6.840 -31.132 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.688 -7.912 -31.082 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.800 -8.093 -28.969 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.091 -9.586 -29.838 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.327 -8.812 -30.503 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.039 -7.251 -29.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.331 -8.679 -28.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.827 -8.342 -27.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.106 -9.855 -28.329 1.00 0.00 H new ATOM 199 N GLN A 17 6.146 -9.329 -35.655 1.00 0.00 N ATOM 200 CA GLN A 17 6.475 -10.129 -36.821 1.00 0.00 C ATOM 201 C GLN A 17 6.858 -9.232 -37.990 1.00 0.00 C ATOM 202 O GLN A 17 6.608 -8.028 -37.967 1.00 0.00 O ATOM 203 CB GLN A 17 5.295 -11.018 -37.225 1.00 0.00 C ATOM 204 CG GLN A 17 4.682 -11.819 -36.093 1.00 0.00 C ATOM 205 CD GLN A 17 5.677 -12.695 -35.374 1.00 0.00 C ATOM 206 OE1 GLN A 17 5.924 -13.827 -35.779 1.00 0.00 O ATOM 207 NE2 GLN A 17 6.221 -12.204 -34.291 1.00 0.00 N ATOM 0 H GLN A 17 5.164 -9.063 -35.588 1.00 0.00 H new ATOM 0 HA GLN A 17 7.322 -10.765 -36.562 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.521 -10.391 -37.667 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.628 -11.708 -38.000 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.228 -11.134 -35.377 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.881 -12.442 -36.491 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.989 -11.258 -33.988 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.877 -12.767 -33.750 1.00 0.00 H new ATOM 216 N THR A 18 7.446 -9.828 -39.012 1.00 0.00 N ATOM 217 CA THR A 18 7.861 -9.104 -40.206 1.00 0.00 C ATOM 218 C THR A 18 7.765 -10.001 -41.447 1.00 0.00 C ATOM 219 O THR A 18 8.615 -10.868 -41.659 1.00 0.00 O ATOM 220 CB THR A 18 9.298 -8.567 -40.059 1.00 0.00 C ATOM 221 OG1 THR A 18 10.059 -9.450 -39.217 1.00 0.00 O ATOM 222 CG2 THR A 18 9.298 -7.166 -39.465 1.00 0.00 C ATOM 0 H THR A 18 7.650 -10.827 -39.040 1.00 0.00 H new ATOM 0 HA THR A 18 7.186 -8.257 -40.329 1.00 0.00 H new ATOM 0 HB THR A 18 9.751 -8.520 -41.049 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.973 -9.108 -39.126 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.324 -6.810 -39.372 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.739 -6.495 -40.117 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.831 -7.188 -38.480 1.00 0.00 H new ATOM 230 N PRO A 19 6.708 -9.824 -42.276 1.00 0.00 N ATOM 231 CA PRO A 19 5.652 -8.824 -42.046 1.00 0.00 C ATOM 232 C PRO A 19 4.838 -9.125 -40.797 1.00 0.00 C ATOM 233 O PRO A 19 4.725 -10.284 -40.378 1.00 0.00 O ATOM 234 CB PRO A 19 4.774 -8.927 -43.291 1.00 0.00 C ATOM 235 CG PRO A 19 5.033 -10.291 -43.824 1.00 0.00 C ATOM 236 CD PRO A 19 6.468 -10.591 -43.505 1.00 0.00 C ATOM 0 HA PRO A 19 6.066 -7.828 -41.888 1.00 0.00 H new ATOM 0 HB2 PRO A 19 3.721 -8.791 -43.045 1.00 0.00 H new ATOM 0 HB3 PRO A 19 5.032 -8.161 -44.022 1.00 0.00 H new ATOM 0 HG2 PRO A 19 4.369 -11.023 -43.364 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.855 -10.331 -44.899 1.00 0.00 H new ATOM 0 HD2 PRO A 19 6.632 -11.658 -43.352 1.00 0.00 H new ATOM 0 HD3 PRO A 19 7.133 -10.279 -44.310 1.00 0.00 H new ATOM 244 N CYS A 20 4.288 -8.082 -40.205 1.00 0.00 N ATOM 245 CA CYS A 20 3.548 -8.197 -38.966 1.00 0.00 C ATOM 246 C CYS A 20 2.342 -9.125 -39.115 1.00 0.00 C ATOM 247 O CYS A 20 1.679 -9.143 -40.158 1.00 0.00 O ATOM 248 CB CYS A 20 3.112 -6.822 -38.497 1.00 0.00 C ATOM 249 SG CYS A 20 2.734 -6.733 -36.744 1.00 0.00 S ATOM 0 H CYS A 20 4.343 -7.131 -40.571 1.00 0.00 H new ATOM 0 HA CYS A 20 4.205 -8.638 -38.217 1.00 0.00 H new ATOM 0 HB2 CYS A 20 3.901 -6.105 -38.725 1.00 0.00 H new ATOM 0 HB3 CYS A 20 2.232 -6.518 -39.064 1.00 0.00 H new ATOM 254 N GLY A 21 2.058 -9.882 -38.065 1.00 0.00 N ATOM 255 CA GLY A 21 0.980 -10.844 -38.116 1.00 0.00 C ATOM 256 C GLY A 21 -0.367 -10.236 -37.803 1.00 0.00 C ATOM 257 O GLY A 21 -1.406 -10.835 -38.086 1.00 0.00 O ATOM 0 H GLY A 21 2.558 -9.846 -37.177 1.00 0.00 H new ATOM 0 HA2 GLY A 21 0.948 -11.294 -39.108 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.183 -11.648 -37.408 1.00 0.00 H new ATOM 261 N CYS A 22 -0.362 -9.038 -37.232 1.00 0.00 N ATOM 262 CA CYS A 22 -1.606 -8.365 -36.875 1.00 0.00 C ATOM 263 C CYS A 22 -2.402 -7.939 -38.105 1.00 0.00 C ATOM 264 O CYS A 22 -3.564 -7.551 -37.996 1.00 0.00 O ATOM 265 CB CYS A 22 -1.347 -7.170 -35.975 1.00 0.00 C ATOM 266 SG CYS A 22 -0.965 -7.610 -34.272 1.00 0.00 S ATOM 0 H CYS A 22 0.484 -8.514 -37.007 1.00 0.00 H new ATOM 0 HA CYS A 22 -2.207 -9.090 -36.326 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -0.519 -6.591 -36.385 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -2.224 -6.523 -35.985 1.00 0.00 H new ATOM 271 N GLY A 23 -1.780 -8.033 -39.278 1.00 0.00 N ATOM 272 CA GLY A 23 -2.468 -7.694 -40.509 1.00 0.00 C ATOM 273 C GLY A 23 -3.614 -8.648 -40.789 1.00 0.00 C ATOM 274 O GLY A 23 -4.490 -8.364 -41.601 1.00 0.00 O ATOM 0 H GLY A 23 -0.814 -8.337 -39.396 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.850 -6.675 -40.445 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.762 -7.718 -41.339 1.00 0.00 H new ATOM 278 N SER A 24 -3.601 -9.781 -40.101 1.00 0.00 N ATOM 279 CA SER A 24 -4.631 -10.786 -40.248 1.00 0.00 C ATOM 280 C SER A 24 -5.558 -10.790 -39.025 1.00 0.00 C ATOM 281 O SER A 24 -6.470 -11.615 -38.921 1.00 0.00 O ATOM 282 CB SER A 24 -3.979 -12.153 -40.412 1.00 0.00 C ATOM 283 OG SER A 24 -2.978 -12.111 -41.420 1.00 0.00 O ATOM 0 H SER A 24 -2.875 -10.024 -39.427 1.00 0.00 H new ATOM 0 HA SER A 24 -5.229 -10.557 -41.130 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.538 -12.467 -39.466 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.735 -12.894 -40.673 1.00 0.00 H new ATOM 0 HG SER A 24 -2.568 -12.997 -41.511 1.00 0.00 H new ATOM 289 N GLY A 25 -5.322 -9.860 -38.113 1.00 0.00 N ATOM 290 CA GLY A 25 -6.108 -9.790 -36.907 1.00 0.00 C ATOM 291 C GLY A 25 -5.275 -9.347 -35.729 1.00 0.00 C ATOM 292 O GLY A 25 -4.338 -10.043 -35.325 1.00 0.00 O ATOM 0 H GLY A 25 -4.594 -9.149 -38.191 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.936 -9.095 -37.051 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -6.544 -10.767 -36.699 1.00 0.00 H new ATOM 296 N CYS A 26 -5.604 -8.192 -35.187 1.00 0.00 N ATOM 297 CA CYS A 26 -4.873 -7.632 -34.065 1.00 0.00 C ATOM 298 C CYS A 26 -5.115 -8.381 -32.780 1.00 0.00 C ATOM 299 O CYS A 26 -6.166 -9.001 -32.575 1.00 0.00 O ATOM 300 CB CYS A 26 -5.244 -6.174 -33.851 1.00 0.00 C ATOM 301 SG CYS A 26 -4.470 -5.044 -34.992 1.00 0.00 S ATOM 0 H CYS A 26 -6.382 -7.616 -35.509 1.00 0.00 H new ATOM 0 HA CYS A 26 -3.817 -7.721 -34.321 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -6.326 -6.071 -33.934 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.973 -5.888 -32.835 1.00 0.00 H new ATOM 306 N ASN A 27 -4.129 -8.320 -31.923 1.00 0.00 N ATOM 307 CA ASN A 27 -4.222 -8.871 -30.597 1.00 0.00 C ATOM 308 C ASN A 27 -3.669 -7.843 -29.610 1.00 0.00 C ATOM 309 O ASN A 27 -3.665 -8.052 -28.400 1.00 0.00 O ATOM 310 CB ASN A 27 -3.465 -10.209 -30.508 1.00 0.00 C ATOM 311 CG ASN A 27 -3.721 -10.960 -29.207 1.00 0.00 C ATOM 312 OD1 ASN A 27 -2.976 -10.826 -28.236 1.00 0.00 O ATOM 313 ND2 ASN A 27 -4.777 -11.752 -29.181 1.00 0.00 N ATOM 0 H ASN A 27 -3.231 -7.882 -32.128 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.262 -9.082 -30.350 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -3.757 -10.840 -31.347 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -2.396 -10.021 -30.607 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -4.999 -12.279 -28.336 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -5.371 -11.837 -30.006 1.00 0.00 H new ATOM 320 N CYS A 28 -3.223 -6.705 -30.152 1.00 0.00 N ATOM 321 CA CYS A 28 -2.696 -5.627 -29.339 1.00 0.00 C ATOM 322 C CYS A 28 -3.770 -4.563 -29.126 1.00 0.00 C ATOM 323 O CYS A 28 -4.954 -4.797 -29.400 1.00 0.00 O ATOM 324 CB CYS A 28 -1.436 -5.012 -29.980 1.00 0.00 C ATOM 325 SG CYS A 28 -1.699 -4.181 -31.567 1.00 0.00 S ATOM 0 H CYS A 28 -3.221 -6.515 -31.154 1.00 0.00 H new ATOM 0 HA CYS A 28 -2.407 -6.034 -28.370 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -1.006 -4.295 -29.281 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -0.698 -5.802 -30.121 1.00 0.00 H new ATOM 330 N LYS A 29 -3.369 -3.405 -28.640 1.00 0.00 N ATOM 331 CA LYS A 29 -4.310 -2.341 -28.356 1.00 0.00 C ATOM 332 C LYS A 29 -4.028 -1.129 -29.233 1.00 0.00 C ATOM 333 O LYS A 29 -2.924 -0.983 -29.751 1.00 0.00 O ATOM 334 CB LYS A 29 -4.233 -1.962 -26.878 1.00 0.00 C ATOM 335 CG LYS A 29 -4.310 -3.159 -25.931 1.00 0.00 C ATOM 336 CD LYS A 29 -5.602 -3.946 -26.113 1.00 0.00 C ATOM 337 CE LYS A 29 -6.810 -3.120 -25.702 1.00 0.00 C ATOM 338 NZ LYS A 29 -8.076 -3.876 -25.858 1.00 0.00 N ATOM 0 H LYS A 29 -2.396 -3.177 -28.433 1.00 0.00 H new ATOM 0 HA LYS A 29 -5.317 -2.693 -28.578 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.301 -1.427 -26.698 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.046 -1.274 -26.646 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.458 -3.815 -26.106 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -4.239 -2.812 -24.900 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.703 -4.249 -27.155 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.562 -4.858 -25.518 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.700 -2.807 -24.664 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.852 -2.213 -26.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.876 -3.278 -25.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.195 -4.153 -26.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -8.047 -4.728 -25.263 1.00 0.00 H new ATOM 352 N GLU A 30 -5.015 -0.242 -29.366 1.00 0.00 N ATOM 353 CA GLU A 30 -4.879 0.950 -30.215 1.00 0.00 C ATOM 354 C GLU A 30 -3.956 2.001 -29.588 1.00 0.00 C ATOM 355 O GLU A 30 -3.843 3.123 -30.080 1.00 0.00 O ATOM 356 CB GLU A 30 -6.247 1.546 -30.539 1.00 0.00 C ATOM 357 CG GLU A 30 -7.064 1.927 -29.324 1.00 0.00 C ATOM 358 CD GLU A 30 -8.462 2.340 -29.693 1.00 0.00 C ATOM 359 OE1 GLU A 30 -9.320 1.451 -29.868 1.00 0.00 O ATOM 360 OE2 GLU A 30 -8.725 3.553 -29.809 1.00 0.00 O ATOM 0 H GLU A 30 -5.918 -0.323 -28.899 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.414 0.631 -31.148 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.107 2.431 -31.160 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -6.812 0.827 -31.132 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.105 1.083 -28.635 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.571 2.744 -28.797 1.00 0.00 H new ATOM 367 N ASP A 31 -3.323 1.631 -28.492 1.00 0.00 N ATOM 368 CA ASP A 31 -2.312 2.463 -27.858 1.00 0.00 C ATOM 369 C ASP A 31 -1.015 2.327 -28.643 1.00 0.00 C ATOM 370 O ASP A 31 -0.100 3.151 -28.540 1.00 0.00 O ATOM 371 CB ASP A 31 -2.104 2.007 -26.406 1.00 0.00 C ATOM 372 CG ASP A 31 -0.955 2.709 -25.710 1.00 0.00 C ATOM 373 OD1 ASP A 31 0.147 2.122 -25.625 1.00 0.00 O ATOM 374 OD2 ASP A 31 -1.151 3.844 -25.225 1.00 0.00 O ATOM 0 H ASP A 31 -3.493 0.746 -28.014 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.630 3.505 -27.851 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.021 2.183 -25.844 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.924 0.932 -26.393 1.00 0.00 H new ATOM 379 N CYS A 32 -0.972 1.282 -29.452 1.00 0.00 N ATOM 380 CA CYS A 32 0.170 0.966 -30.264 1.00 0.00 C ATOM 381 C CYS A 32 0.211 1.869 -31.503 1.00 0.00 C ATOM 382 O CYS A 32 -0.821 2.379 -31.947 1.00 0.00 O ATOM 383 CB CYS A 32 0.096 -0.499 -30.670 1.00 0.00 C ATOM 384 SG CYS A 32 1.653 -1.189 -31.217 1.00 0.00 S ATOM 0 H CYS A 32 -1.745 0.625 -29.558 1.00 0.00 H new ATOM 0 HA CYS A 32 1.083 1.138 -29.695 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.269 -1.081 -29.824 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.637 -0.606 -31.470 1.00 0.00 H new ATOM 389 N ARG A 33 1.403 2.065 -32.059 1.00 0.00 N ATOM 390 CA ARG A 33 1.576 2.954 -33.205 1.00 0.00 C ATOM 391 C ARG A 33 2.251 2.239 -34.368 1.00 0.00 C ATOM 392 O ARG A 33 2.882 2.873 -35.217 1.00 0.00 O ATOM 393 CB ARG A 33 2.405 4.177 -32.800 1.00 0.00 C ATOM 394 CG ARG A 33 1.836 4.939 -31.618 1.00 0.00 C ATOM 395 CD ARG A 33 0.429 5.431 -31.901 1.00 0.00 C ATOM 396 NE ARG A 33 -0.200 5.982 -30.708 1.00 0.00 N ATOM 397 CZ ARG A 33 -1.408 6.538 -30.684 1.00 0.00 C ATOM 398 NH1 ARG A 33 -2.106 6.663 -31.807 1.00 0.00 N ATOM 399 NH2 ARG A 33 -1.915 6.972 -29.539 1.00 0.00 N ATOM 0 H ARG A 33 2.263 1.621 -31.736 1.00 0.00 H new ATOM 0 HA ARG A 33 0.586 3.274 -33.531 1.00 0.00 H new ATOM 0 HB2 ARG A 33 3.418 3.854 -32.559 1.00 0.00 H new ATOM 0 HB3 ARG A 33 2.480 4.852 -33.653 1.00 0.00 H new ATOM 0 HG2 ARG A 33 1.828 4.295 -30.738 1.00 0.00 H new ATOM 0 HG3 ARG A 33 2.480 5.787 -31.386 1.00 0.00 H new ATOM 0 HD2 ARG A 33 0.460 6.192 -32.681 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -0.174 4.608 -32.283 1.00 0.00 H new ATOM 0 HE ARG A 33 0.321 5.938 -29.832 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -1.716 6.332 -32.689 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -3.032 7.090 -31.787 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -1.379 6.880 -28.676 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.841 7.398 -29.521 1.00 0.00 H new ATOM 413 N CYS A 34 2.113 0.932 -34.415 1.00 0.00 N ATOM 414 CA CYS A 34 2.716 0.145 -35.478 1.00 0.00 C ATOM 415 C CYS A 34 1.998 0.405 -36.796 1.00 0.00 C ATOM 416 O CYS A 34 0.804 0.176 -36.893 1.00 0.00 O ATOM 417 CB CYS A 34 2.634 -1.336 -35.145 1.00 0.00 C ATOM 418 SG CYS A 34 3.721 -2.363 -36.139 1.00 0.00 S ATOM 0 H CYS A 34 1.588 0.388 -33.730 1.00 0.00 H new ATOM 0 HA CYS A 34 3.762 0.437 -35.573 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.879 -1.476 -34.092 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.606 -1.673 -35.281 1.00 0.00 H new ATOM 423 N GLN A 35 2.736 0.867 -37.815 1.00 0.00 N ATOM 424 CA GLN A 35 2.135 1.177 -39.125 1.00 0.00 C ATOM 425 C GLN A 35 1.461 -0.057 -39.729 1.00 0.00 C ATOM 426 O GLN A 35 0.543 0.058 -40.541 1.00 0.00 O ATOM 427 CB GLN A 35 3.184 1.718 -40.122 1.00 0.00 C ATOM 428 CG GLN A 35 3.772 3.088 -39.782 1.00 0.00 C ATOM 429 CD GLN A 35 4.940 3.019 -38.817 1.00 0.00 C ATOM 430 OE1 GLN A 35 6.092 2.878 -39.226 1.00 0.00 O ATOM 431 NE2 GLN A 35 4.654 3.126 -37.531 1.00 0.00 N ATOM 0 H GLN A 35 3.741 1.034 -37.762 1.00 0.00 H new ATOM 0 HA GLN A 35 1.386 1.949 -38.950 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.000 0.999 -40.189 1.00 0.00 H new ATOM 0 HB3 GLN A 35 2.726 1.774 -41.109 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.098 3.574 -40.702 1.00 0.00 H new ATOM 0 HG3 GLN A 35 2.991 3.714 -39.351 1.00 0.00 H new ATOM 0 HE21 GLN A 35 3.686 3.242 -37.232 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.402 3.093 -36.838 1.00 0.00 H new ATOM 440 N SER A 36 1.919 -1.225 -39.316 1.00 0.00 N ATOM 441 CA SER A 36 1.421 -2.490 -39.830 1.00 0.00 C ATOM 442 C SER A 36 -0.079 -2.683 -39.573 1.00 0.00 C ATOM 443 O SER A 36 -0.817 -3.113 -40.458 1.00 0.00 O ATOM 444 CB SER A 36 2.206 -3.632 -39.210 1.00 0.00 C ATOM 445 OG SER A 36 3.603 -3.412 -39.350 1.00 0.00 O ATOM 0 H SER A 36 2.650 -1.324 -38.612 1.00 0.00 H new ATOM 0 HA SER A 36 1.558 -2.481 -40.911 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.951 -3.725 -38.154 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.931 -4.572 -39.688 1.00 0.00 H new ATOM 0 HG SER A 36 3.964 -3.056 -38.511 1.00 0.00 H new ATOM 451 N CYS A 37 -0.518 -2.368 -38.380 1.00 0.00 N ATOM 452 CA CYS A 37 -1.909 -2.558 -38.004 1.00 0.00 C ATOM 453 C CYS A 37 -2.519 -1.258 -37.499 1.00 0.00 C ATOM 454 O CYS A 37 -3.527 -1.257 -36.801 1.00 0.00 O ATOM 455 CB CYS A 37 -1.982 -3.644 -36.940 1.00 0.00 C ATOM 456 SG CYS A 37 -0.509 -3.719 -35.887 1.00 0.00 S ATOM 0 H CYS A 37 0.068 -1.975 -37.643 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.484 -2.865 -38.878 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -2.858 -3.472 -36.315 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.122 -4.610 -37.426 1.00 0.00 H new ATOM 461 N LYS A 38 -1.935 -0.152 -37.916 1.00 0.00 N ATOM 462 CA LYS A 38 -2.352 1.161 -37.449 1.00 0.00 C ATOM 463 C LYS A 38 -3.565 1.679 -38.200 1.00 0.00 C ATOM 464 O LYS A 38 -4.069 2.758 -37.893 1.00 0.00 O ATOM 465 CB LYS A 38 -1.220 2.151 -37.609 1.00 0.00 C ATOM 466 CG LYS A 38 -0.981 3.001 -36.388 1.00 0.00 C ATOM 467 CD LYS A 38 -0.781 4.440 -36.770 1.00 0.00 C ATOM 468 CE LYS A 38 0.498 4.628 -37.562 1.00 0.00 C ATOM 469 NZ LYS A 38 0.694 6.036 -37.966 1.00 0.00 N ATOM 0 H LYS A 38 -1.164 -0.134 -38.583 1.00 0.00 H new ATOM 0 HA LYS A 38 -2.621 1.055 -36.398 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.305 1.608 -37.847 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.435 2.801 -38.457 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.829 2.915 -35.708 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.104 2.637 -35.852 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.631 4.783 -37.361 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.748 5.056 -35.871 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.348 4.301 -36.963 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.472 3.996 -38.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.579 6.122 -38.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.104 6.341 -38.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.745 6.636 -37.118 1.00 0.00 H new ATOM 483 N TYR A 39 -4.024 0.924 -39.188 1.00 0.00 N ATOM 484 CA TYR A 39 -5.168 1.342 -39.994 1.00 0.00 C ATOM 485 C TYR A 39 -6.383 1.585 -39.111 1.00 0.00 C ATOM 486 O TYR A 39 -6.876 2.711 -39.024 1.00 0.00 O ATOM 487 CB TYR A 39 -5.485 0.305 -41.078 1.00 0.00 C ATOM 488 CG TYR A 39 -4.290 -0.040 -41.944 1.00 0.00 C ATOM 489 CD1 TYR A 39 -3.590 -1.228 -41.760 1.00 0.00 C ATOM 490 CD2 TYR A 39 -3.852 0.828 -42.938 1.00 0.00 C ATOM 491 CE1 TYR A 39 -2.491 -1.539 -42.539 1.00 0.00 C ATOM 492 CE2 TYR A 39 -2.756 0.522 -43.723 1.00 0.00 C ATOM 493 CZ TYR A 39 -2.078 -0.662 -43.519 1.00 0.00 C ATOM 494 OH TYR A 39 -0.980 -0.966 -44.293 1.00 0.00 O ATOM 0 H TYR A 39 -3.626 0.023 -39.452 1.00 0.00 H new ATOM 0 HA TYR A 39 -4.909 2.278 -40.490 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -5.856 -0.604 -40.604 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -6.287 0.685 -41.711 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -3.911 -1.920 -40.995 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -4.377 1.758 -43.100 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -1.958 -2.465 -42.380 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -2.432 1.207 -44.493 1.00 0.00 H new ATOM 0 HH TYR A 39 -0.824 -0.244 -44.937 1.00 0.00 H new ATOM 504 N GLY A 40 -6.851 0.532 -38.451 1.00 0.00 N ATOM 505 CA GLY A 40 -7.978 0.648 -37.543 1.00 0.00 C ATOM 506 C GLY A 40 -9.202 1.237 -38.206 1.00 0.00 C ATOM 507 O GLY A 40 -9.716 0.682 -39.181 1.00 0.00 O ATOM 0 H GLY A 40 -6.466 -0.409 -38.530 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.223 -0.337 -37.147 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.694 1.271 -36.695 1.00 0.00 H new ATOM 511 N ALA A 41 -9.642 2.377 -37.701 1.00 0.00 N ATOM 512 CA ALA A 41 -10.814 3.058 -38.228 1.00 0.00 C ATOM 513 C ALA A 41 -10.496 3.756 -39.551 1.00 0.00 C ATOM 514 O ALA A 41 -11.381 4.325 -40.196 1.00 0.00 O ATOM 515 CB ALA A 41 -11.335 4.056 -37.207 1.00 0.00 C ATOM 0 H ALA A 41 -9.199 2.856 -36.917 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.587 2.315 -38.423 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.213 4.562 -37.608 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.606 3.531 -36.291 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.560 4.791 -36.989 1.00 0.00 H new ATOM 521 N GLY A 42 -9.228 3.720 -39.940 1.00 0.00 N ATOM 522 CA GLY A 42 -8.815 4.309 -41.193 1.00 0.00 C ATOM 523 C GLY A 42 -9.298 3.497 -42.369 1.00 0.00 C ATOM 524 O GLY A 42 -9.731 4.049 -43.377 1.00 0.00 O ATOM 0 H GLY A 42 -8.475 3.289 -39.403 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.205 5.324 -41.265 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.728 4.382 -41.221 1.00 0.00 H new ATOM 528 N CYS A 43 -9.226 2.184 -42.240 1.00 0.00 N ATOM 529 CA CYS A 43 -9.699 1.294 -43.279 1.00 0.00 C ATOM 530 C CYS A 43 -11.162 0.934 -42.986 1.00 0.00 C ATOM 531 O CYS A 43 -11.610 1.072 -41.850 1.00 0.00 O ATOM 532 CB CYS A 43 -8.815 0.043 -43.326 1.00 0.00 C ATOM 533 SG CYS A 43 -8.993 -0.958 -44.822 1.00 0.00 S ATOM 0 H CYS A 43 -8.842 1.711 -41.421 1.00 0.00 H new ATOM 0 HA CYS A 43 -9.644 1.778 -44.254 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -7.773 0.348 -43.232 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -9.044 -0.579 -42.461 1.00 0.00 H new ATOM 538 N THR A 44 -11.900 0.471 -43.991 1.00 0.00 N ATOM 539 CA THR A 44 -13.321 0.190 -43.806 1.00 0.00 C ATOM 540 C THR A 44 -13.550 -0.968 -42.848 1.00 0.00 C ATOM 541 O THR A 44 -12.803 -1.960 -42.852 1.00 0.00 O ATOM 542 CB THR A 44 -14.027 -0.117 -45.138 1.00 0.00 C ATOM 543 OG1 THR A 44 -13.353 -1.181 -45.815 1.00 0.00 O ATOM 544 CG2 THR A 44 -14.073 1.114 -46.023 1.00 0.00 C ATOM 0 H THR A 44 -11.545 0.284 -44.929 1.00 0.00 H new ATOM 0 HA THR A 44 -13.750 1.097 -43.379 1.00 0.00 H new ATOM 0 HB THR A 44 -15.051 -0.421 -44.921 1.00 0.00 H new ATOM 0 HG1 THR A 44 -13.809 -1.372 -46.661 1.00 0.00 H new ATOM 0 HG21 THR A 44 -14.577 0.871 -46.958 1.00 0.00 H new ATOM 0 HG22 THR A 44 -14.618 1.909 -45.513 1.00 0.00 H new ATOM 0 HG23 THR A 44 -13.057 1.448 -46.234 1.00 0.00 H new ATOM 552 N ASP A 45 -14.583 -0.841 -42.030 1.00 0.00 N ATOM 553 CA ASP A 45 -14.948 -1.880 -41.080 1.00 0.00 C ATOM 554 C ASP A 45 -15.636 -3.021 -41.795 1.00 0.00 C ATOM 555 O ASP A 45 -15.675 -4.139 -41.296 1.00 0.00 O ATOM 556 CB ASP A 45 -15.862 -1.332 -39.985 1.00 0.00 C ATOM 557 CG ASP A 45 -15.175 -0.332 -39.088 1.00 0.00 C ATOM 558 OD1 ASP A 45 -14.574 -0.748 -38.080 1.00 0.00 O ATOM 559 OD2 ASP A 45 -15.247 0.878 -39.379 1.00 0.00 O ATOM 0 H ASP A 45 -15.188 -0.021 -42.006 1.00 0.00 H new ATOM 0 HA ASP A 45 -14.033 -2.243 -40.613 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -16.730 -0.861 -40.446 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -16.232 -2.160 -39.380 1.00 0.00 H new ATOM 564 N VAL A 46 -16.183 -2.730 -42.975 1.00 0.00 N ATOM 565 CA VAL A 46 -16.811 -3.756 -43.808 1.00 0.00 C ATOM 566 C VAL A 46 -15.758 -4.777 -44.213 1.00 0.00 C ATOM 567 O VAL A 46 -16.035 -5.969 -44.368 1.00 0.00 O ATOM 568 CB VAL A 46 -17.450 -3.138 -45.079 1.00 0.00 C ATOM 569 CG1 VAL A 46 -18.166 -4.201 -45.903 1.00 0.00 C ATOM 570 CG2 VAL A 46 -18.412 -2.021 -44.700 1.00 0.00 C ATOM 0 H VAL A 46 -16.204 -1.792 -43.376 1.00 0.00 H new ATOM 0 HA VAL A 46 -17.603 -4.235 -43.232 1.00 0.00 H new ATOM 0 HB VAL A 46 -16.651 -2.718 -45.690 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -18.605 -3.741 -46.788 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -17.453 -4.967 -46.208 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -18.953 -4.657 -45.303 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -18.852 -1.598 -45.603 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -19.202 -2.421 -44.065 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -17.872 -1.243 -44.161 1.00 0.00 H new ATOM 580 N CYS A 47 -14.544 -4.290 -44.351 1.00 0.00 N ATOM 581 CA CYS A 47 -13.403 -5.112 -44.672 1.00 0.00 C ATOM 582 C CYS A 47 -12.921 -5.865 -43.420 1.00 0.00 C ATOM 583 O CYS A 47 -12.235 -6.877 -43.505 1.00 0.00 O ATOM 584 CB CYS A 47 -12.293 -4.213 -45.211 1.00 0.00 C ATOM 585 SG CYS A 47 -10.725 -5.039 -45.472 1.00 0.00 S ATOM 0 H CYS A 47 -14.321 -3.301 -44.242 1.00 0.00 H new ATOM 0 HA CYS A 47 -13.678 -5.850 -45.426 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -12.622 -3.779 -46.155 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -12.142 -3.387 -44.516 1.00 0.00 H new ATOM 590 N LYS A 48 -13.311 -5.368 -42.258 1.00 0.00 N ATOM 591 CA LYS A 48 -12.896 -5.956 -40.990 1.00 0.00 C ATOM 592 C LYS A 48 -13.965 -6.920 -40.479 1.00 0.00 C ATOM 593 O LYS A 48 -13.903 -7.394 -39.346 1.00 0.00 O ATOM 594 CB LYS A 48 -12.644 -4.850 -39.957 1.00 0.00 C ATOM 595 CG LYS A 48 -11.793 -3.699 -40.486 1.00 0.00 C ATOM 596 CD LYS A 48 -10.355 -4.123 -40.764 1.00 0.00 C ATOM 597 CE LYS A 48 -9.645 -3.111 -41.645 1.00 0.00 C ATOM 598 NZ LYS A 48 -10.208 -3.084 -43.024 1.00 0.00 N ATOM 0 H LYS A 48 -13.918 -4.554 -42.164 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.971 -6.512 -41.146 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -13.602 -4.456 -39.619 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.152 -5.284 -39.086 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.239 -3.312 -41.402 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.796 -2.885 -39.761 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.816 -4.231 -39.823 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.348 -5.099 -41.249 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.728 -2.120 -41.199 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.583 -3.352 -41.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.560 -2.568 -43.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.325 -4.058 -43.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.132 -2.607 -43.012 1.00 0.00 H new ATOM 612 N GLN A 49 -14.949 -7.195 -41.327 1.00 0.00 N ATOM 613 CA GLN A 49 -16.026 -8.107 -40.993 1.00 0.00 C ATOM 614 C GLN A 49 -15.538 -9.548 -40.945 1.00 0.00 C ATOM 615 O GLN A 49 -14.428 -9.865 -41.375 1.00 0.00 O ATOM 616 CB GLN A 49 -17.155 -7.988 -42.011 1.00 0.00 C ATOM 617 CG GLN A 49 -18.013 -6.756 -41.849 1.00 0.00 C ATOM 618 CD GLN A 49 -19.097 -6.665 -42.911 1.00 0.00 C ATOM 619 OE1 GLN A 49 -19.523 -7.675 -43.470 1.00 0.00 O ATOM 620 NE2 GLN A 49 -19.575 -5.466 -43.164 1.00 0.00 N ATOM 0 H GLN A 49 -15.019 -6.792 -42.261 1.00 0.00 H new ATOM 0 HA GLN A 49 -16.394 -7.833 -40.004 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -16.726 -7.988 -43.013 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -17.790 -8.871 -41.936 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -18.474 -6.764 -40.862 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -17.383 -5.868 -41.899 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -19.195 -4.653 -42.679 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -20.326 -5.349 -43.845 1.00 0.00 H new ATOM 629 N THR A 50 -16.370 -10.412 -40.415 1.00 0.00 N ATOM 630 CA THR A 50 -16.072 -11.821 -40.345 1.00 0.00 C ATOM 631 C THR A 50 -17.357 -12.637 -40.546 1.00 0.00 C ATOM 632 O THR A 50 -18.189 -12.729 -39.637 1.00 0.00 O ATOM 633 CB THR A 50 -15.429 -12.192 -38.994 1.00 0.00 C ATOM 634 OG1 THR A 50 -14.285 -11.349 -38.752 1.00 0.00 O ATOM 635 CG2 THR A 50 -14.992 -13.648 -38.993 1.00 0.00 C ATOM 0 H THR A 50 -17.275 -10.156 -40.019 1.00 0.00 H new ATOM 0 HA THR A 50 -15.360 -12.054 -41.137 1.00 0.00 H new ATOM 0 HB THR A 50 -16.168 -12.045 -38.206 1.00 0.00 H new ATOM 0 HG1 THR A 50 -13.880 -11.586 -37.892 1.00 0.00 H new ATOM 0 HG21 THR A 50 -14.540 -13.892 -38.031 1.00 0.00 H new ATOM 0 HG22 THR A 50 -15.858 -14.288 -39.160 1.00 0.00 H new ATOM 0 HG23 THR A 50 -14.263 -13.810 -39.787 1.00 0.00 H new ATOM 643 N PRO A 51 -17.556 -13.214 -41.751 1.00 0.00 N ATOM 644 CA PRO A 51 -16.603 -13.103 -42.871 1.00 0.00 C ATOM 645 C PRO A 51 -16.623 -11.711 -43.498 1.00 0.00 C ATOM 646 O PRO A 51 -17.617 -10.992 -43.387 1.00 0.00 O ATOM 647 CB PRO A 51 -17.120 -14.136 -43.869 1.00 0.00 C ATOM 648 CG PRO A 51 -18.582 -14.216 -43.601 1.00 0.00 C ATOM 649 CD PRO A 51 -18.746 -14.010 -42.120 1.00 0.00 C ATOM 0 HA PRO A 51 -15.573 -13.268 -42.556 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -16.921 -13.830 -44.896 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -16.637 -15.103 -43.726 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -19.123 -13.455 -44.163 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -18.982 -15.183 -43.907 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -19.671 -13.482 -41.888 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -18.777 -14.958 -41.583 1.00 0.00 H new ATOM 657 N CYS A 52 -15.522 -11.337 -44.136 1.00 0.00 N ATOM 658 CA CYS A 52 -15.401 -10.026 -44.763 1.00 0.00 C ATOM 659 C CYS A 52 -16.496 -9.817 -45.800 1.00 0.00 C ATOM 660 O CYS A 52 -16.763 -10.697 -46.626 1.00 0.00 O ATOM 661 CB CYS A 52 -14.032 -9.869 -45.422 1.00 0.00 C ATOM 662 SG CYS A 52 -13.709 -8.215 -46.062 1.00 0.00 S ATOM 0 H CYS A 52 -14.695 -11.926 -44.234 1.00 0.00 H new ATOM 0 HA CYS A 52 -15.509 -9.273 -43.983 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -13.260 -10.123 -44.696 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -13.950 -10.586 -46.239 1.00 0.00 H new ATOM 667 N GLY A 53 -17.123 -8.658 -45.757 1.00 0.00 N ATOM 668 CA GLY A 53 -18.184 -8.361 -46.689 1.00 0.00 C ATOM 669 C GLY A 53 -17.831 -7.220 -47.595 1.00 0.00 C ATOM 670 O GLY A 53 -18.712 -6.587 -48.181 1.00 0.00 O ATOM 0 H GLY A 53 -16.916 -7.914 -45.091 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -18.399 -9.246 -47.287 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -19.093 -8.119 -46.139 1.00 0.00 H new ATOM 674 N CYS A 54 -16.542 -6.959 -47.731 1.00 0.00 N ATOM 675 CA CYS A 54 -16.084 -5.850 -48.531 1.00 0.00 C ATOM 676 C CYS A 54 -16.388 -6.071 -50.001 1.00 0.00 C ATOM 677 O CYS A 54 -17.035 -5.251 -50.627 1.00 0.00 O ATOM 678 CB CYS A 54 -14.602 -5.616 -48.334 1.00 0.00 C ATOM 679 SG CYS A 54 -14.086 -3.970 -48.827 1.00 0.00 S ATOM 0 H CYS A 54 -15.798 -7.504 -47.295 1.00 0.00 H new ATOM 0 HA CYS A 54 -16.623 -4.962 -48.199 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -14.351 -5.772 -47.285 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -14.043 -6.354 -48.909 1.00 0.00 H new ATOM 684 N ALA A 55 -15.959 -7.204 -50.537 1.00 0.00 N ATOM 685 CA ALA A 55 -16.187 -7.517 -51.946 1.00 0.00 C ATOM 686 C ALA A 55 -17.672 -7.750 -52.215 1.00 0.00 C ATOM 687 O ALA A 55 -18.106 -7.829 -53.364 1.00 0.00 O ATOM 688 CB ALA A 55 -15.373 -8.733 -52.358 1.00 0.00 C ATOM 0 H ALA A 55 -15.452 -7.923 -50.021 1.00 0.00 H new ATOM 0 HA ALA A 55 -15.863 -6.665 -52.543 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -15.554 -8.953 -53.410 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -14.313 -8.529 -52.207 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.667 -9.590 -51.752 1.00 0.00 H new ATOM 694 N THR A 56 -18.436 -7.864 -51.148 1.00 0.00 N ATOM 695 CA THR A 56 -19.860 -8.074 -51.241 1.00 0.00 C ATOM 696 C THR A 56 -20.610 -6.732 -51.263 1.00 0.00 C ATOM 697 O THR A 56 -21.660 -6.605 -51.889 1.00 0.00 O ATOM 698 CB THR A 56 -20.352 -8.922 -50.050 1.00 0.00 C ATOM 699 OG1 THR A 56 -19.492 -10.065 -49.893 1.00 0.00 O ATOM 700 CG2 THR A 56 -21.779 -9.397 -50.272 1.00 0.00 C ATOM 0 H THR A 56 -18.083 -7.813 -50.192 1.00 0.00 H new ATOM 0 HA THR A 56 -20.064 -8.604 -52.171 1.00 0.00 H new ATOM 0 HB THR A 56 -20.328 -8.304 -49.152 1.00 0.00 H new ATOM 0 HG1 THR A 56 -19.801 -10.605 -49.136 1.00 0.00 H new ATOM 0 HG21 THR A 56 -22.101 -9.992 -49.418 1.00 0.00 H new ATOM 0 HG22 THR A 56 -22.437 -8.535 -50.382 1.00 0.00 H new ATOM 0 HG23 THR A 56 -21.824 -10.005 -51.176 1.00 0.00 H new ATOM 708 N SER A 57 -20.048 -5.732 -50.598 1.00 0.00 N ATOM 709 CA SER A 57 -20.688 -4.430 -50.507 1.00 0.00 C ATOM 710 C SER A 57 -19.947 -3.385 -51.345 1.00 0.00 C ATOM 711 O SER A 57 -20.362 -2.224 -51.413 1.00 0.00 O ATOM 712 CB SER A 57 -20.750 -3.988 -49.039 1.00 0.00 C ATOM 713 OG SER A 57 -21.566 -2.838 -48.874 1.00 0.00 O ATOM 0 H SER A 57 -19.152 -5.798 -50.115 1.00 0.00 H new ATOM 0 HA SER A 57 -21.700 -4.516 -50.904 1.00 0.00 H new ATOM 0 HB2 SER A 57 -21.141 -4.803 -48.429 1.00 0.00 H new ATOM 0 HB3 SER A 57 -19.743 -3.775 -48.680 1.00 0.00 H new ATOM 0 HG SER A 57 -21.552 -2.306 -49.697 1.00 0.00 H new ATOM 719 N GLY A 58 -18.860 -3.795 -51.970 1.00 0.00 N ATOM 720 CA GLY A 58 -18.078 -2.889 -52.779 1.00 0.00 C ATOM 721 C GLY A 58 -16.695 -2.667 -52.202 1.00 0.00 C ATOM 722 O GLY A 58 -16.528 -1.861 -51.280 1.00 0.00 O ATOM 0 H GLY A 58 -18.501 -4.749 -51.931 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -17.990 -3.288 -53.789 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -18.596 -1.933 -52.858 1.00 0.00 H new ATOM 726 N CYS A 59 -15.712 -3.400 -52.738 1.00 0.00 N ATOM 727 CA CYS A 59 -14.319 -3.306 -52.293 1.00 0.00 C ATOM 728 C CYS A 59 -13.867 -1.847 -52.279 1.00 0.00 C ATOM 729 O CYS A 59 -13.818 -1.186 -53.326 1.00 0.00 O ATOM 730 CB CYS A 59 -13.417 -4.146 -53.216 1.00 0.00 C ATOM 731 SG CYS A 59 -11.698 -4.320 -52.663 1.00 0.00 S ATOM 0 H CYS A 59 -15.860 -4.073 -53.490 1.00 0.00 H new ATOM 0 HA CYS A 59 -14.241 -3.698 -51.279 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -13.852 -5.140 -53.317 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -13.419 -3.695 -54.208 1.00 0.00 H new ATOM 736 N ASN A 60 -13.565 -1.346 -51.098 1.00 0.00 N ATOM 737 CA ASN A 60 -13.200 0.052 -50.935 1.00 0.00 C ATOM 738 C ASN A 60 -11.705 0.263 -51.087 1.00 0.00 C ATOM 739 O ASN A 60 -11.264 1.230 -51.713 1.00 0.00 O ATOM 740 CB ASN A 60 -13.654 0.563 -49.575 1.00 0.00 C ATOM 741 CG ASN A 60 -13.481 2.060 -49.438 1.00 0.00 C ATOM 742 OD1 ASN A 60 -12.423 2.544 -49.035 1.00 0.00 O ATOM 743 ND2 ASN A 60 -14.520 2.800 -49.760 1.00 0.00 N ATOM 0 H ASN A 60 -13.564 -1.886 -50.233 1.00 0.00 H new ATOM 0 HA ASN A 60 -13.703 0.614 -51.722 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -14.702 0.305 -49.424 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -13.086 0.060 -48.792 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -14.467 3.815 -49.680 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -15.378 2.358 -50.090 1.00 0.00 H new ATOM 750 N CYS A 61 -10.933 -0.631 -50.513 1.00 0.00 N ATOM 751 CA CYS A 61 -9.491 -0.538 -50.564 1.00 0.00 C ATOM 752 C CYS A 61 -8.956 -1.192 -51.832 1.00 0.00 C ATOM 753 O CYS A 61 -9.701 -1.405 -52.790 1.00 0.00 O ATOM 754 CB CYS A 61 -8.897 -1.188 -49.319 1.00 0.00 C ATOM 755 SG CYS A 61 -9.640 -2.776 -48.913 1.00 0.00 S ATOM 0 H CYS A 61 -11.284 -1.440 -50.000 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.198 0.512 -50.586 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -7.826 -1.324 -49.466 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.019 -0.512 -48.473 1.00 0.00 H new ATOM 760 N THR A 62 -7.673 -1.485 -51.852 1.00 0.00 N ATOM 761 CA THR A 62 -7.064 -2.103 -53.002 1.00 0.00 C ATOM 762 C THR A 62 -6.498 -3.472 -52.646 1.00 0.00 C ATOM 763 O THR A 62 -6.436 -3.840 -51.472 1.00 0.00 O ATOM 764 CB THR A 62 -5.951 -1.211 -53.588 1.00 0.00 C ATOM 765 OG1 THR A 62 -5.089 -0.758 -52.535 1.00 0.00 O ATOM 766 CG2 THR A 62 -6.542 -0.010 -54.313 1.00 0.00 C ATOM 0 H THR A 62 -7.032 -1.303 -51.079 1.00 0.00 H new ATOM 0 HA THR A 62 -7.840 -2.229 -53.757 1.00 0.00 H new ATOM 0 HB THR A 62 -5.380 -1.802 -54.304 1.00 0.00 H new ATOM 0 HG1 THR A 62 -4.382 -0.193 -52.911 1.00 0.00 H new ATOM 0 HG21 THR A 62 -5.737 0.603 -54.717 1.00 0.00 H new ATOM 0 HG22 THR A 62 -7.180 -0.354 -55.127 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.133 0.582 -53.614 1.00 0.00 H new ATOM 774 N ASP A 63 -6.066 -4.208 -53.664 1.00 0.00 N ATOM 775 CA ASP A 63 -5.498 -5.557 -53.491 1.00 0.00 C ATOM 776 C ASP A 63 -4.176 -5.510 -52.722 1.00 0.00 C ATOM 777 O ASP A 63 -3.576 -6.533 -52.425 1.00 0.00 O ATOM 778 CB ASP A 63 -5.286 -6.210 -54.858 1.00 0.00 C ATOM 779 CG ASP A 63 -6.577 -6.403 -55.619 1.00 0.00 C ATOM 780 OD1 ASP A 63 -7.021 -7.549 -55.748 1.00 0.00 O ATOM 781 OD2 ASP A 63 -7.155 -5.402 -56.093 1.00 0.00 O ATOM 0 H ASP A 63 -6.096 -3.895 -54.634 1.00 0.00 H new ATOM 0 HA ASP A 63 -6.204 -6.151 -52.910 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.609 -5.593 -55.449 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -4.801 -7.177 -54.723 1.00 0.00 H new ATOM 786 N ASP A 64 -3.729 -4.303 -52.443 1.00 0.00 N ATOM 787 CA ASP A 64 -2.520 -4.056 -51.675 1.00 0.00 C ATOM 788 C ASP A 64 -2.782 -4.274 -50.171 1.00 0.00 C ATOM 789 O ASP A 64 -1.856 -4.257 -49.359 1.00 0.00 O ATOM 790 CB ASP A 64 -2.052 -2.615 -51.928 1.00 0.00 C ATOM 791 CG ASP A 64 -0.634 -2.348 -51.464 1.00 0.00 C ATOM 792 OD1 ASP A 64 -0.455 -1.804 -50.356 1.00 0.00 O ATOM 793 OD2 ASP A 64 0.307 -2.656 -52.229 1.00 0.00 O ATOM 0 H ASP A 64 -4.201 -3.451 -52.747 1.00 0.00 H new ATOM 0 HA ASP A 64 -1.744 -4.754 -51.989 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -2.123 -2.401 -52.994 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.728 -1.928 -51.419 1.00 0.00 H new ATOM 798 N CYS A 65 -4.056 -4.461 -49.801 1.00 0.00 N ATOM 799 CA CYS A 65 -4.410 -4.710 -48.401 1.00 0.00 C ATOM 800 C CYS A 65 -3.981 -6.125 -48.011 1.00 0.00 C ATOM 801 O CYS A 65 -3.563 -6.908 -48.857 1.00 0.00 O ATOM 802 CB CYS A 65 -5.927 -4.515 -48.158 1.00 0.00 C ATOM 803 SG CYS A 65 -6.411 -4.412 -46.390 1.00 0.00 S ATOM 0 H CYS A 65 -4.848 -4.445 -50.444 1.00 0.00 H new ATOM 0 HA CYS A 65 -3.885 -3.987 -47.777 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -6.248 -3.604 -48.663 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -6.465 -5.342 -48.621 1.00 0.00 H new ATOM 808 N LYS A 66 -4.083 -6.450 -46.739 1.00 0.00 N ATOM 809 CA LYS A 66 -3.661 -7.758 -46.253 1.00 0.00 C ATOM 810 C LYS A 66 -4.839 -8.696 -46.110 1.00 0.00 C ATOM 811 O LYS A 66 -4.770 -9.699 -45.396 1.00 0.00 O ATOM 812 CB LYS A 66 -2.933 -7.617 -44.919 1.00 0.00 C ATOM 813 CG LYS A 66 -1.598 -6.889 -45.009 1.00 0.00 C ATOM 814 CD LYS A 66 -0.625 -7.613 -45.933 1.00 0.00 C ATOM 815 CE LYS A 66 -0.604 -7.016 -47.336 1.00 0.00 C ATOM 816 NZ LYS A 66 -0.082 -5.630 -47.335 1.00 0.00 N ATOM 0 H LYS A 66 -4.454 -5.830 -46.019 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.978 -8.185 -46.987 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -3.578 -7.084 -44.221 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.765 -8.610 -44.503 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.760 -5.875 -45.373 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.161 -6.804 -44.014 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.377 -7.569 -45.507 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -0.900 -8.666 -45.993 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.013 -7.636 -47.986 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -1.612 -7.025 -47.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -0.820 -4.981 -47.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 0.195 -5.364 -46.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.746 -5.570 -47.962 1.00 0.00 H new ATOM 830 N CYS A 67 -5.906 -8.385 -46.798 1.00 0.00 N ATOM 831 CA CYS A 67 -7.091 -9.185 -46.730 1.00 0.00 C ATOM 832 C CYS A 67 -7.341 -9.879 -48.068 1.00 0.00 C ATOM 833 O CYS A 67 -7.726 -9.243 -49.048 1.00 0.00 O ATOM 834 CB CYS A 67 -8.277 -8.315 -46.339 1.00 0.00 C ATOM 835 SG CYS A 67 -9.632 -9.231 -45.602 1.00 0.00 S ATOM 0 H CYS A 67 -5.974 -7.576 -47.415 1.00 0.00 H new ATOM 0 HA CYS A 67 -6.960 -9.956 -45.971 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.941 -7.553 -45.636 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -8.641 -7.794 -47.224 1.00 0.00 H new ATOM 840 N GLN A 68 -7.121 -11.193 -48.101 1.00 0.00 N ATOM 841 CA GLN A 68 -7.276 -11.976 -49.334 1.00 0.00 C ATOM 842 C GLN A 68 -8.752 -12.232 -49.640 1.00 0.00 C ATOM 843 O GLN A 68 -9.088 -12.850 -50.645 1.00 0.00 O ATOM 844 CB GLN A 68 -6.513 -13.321 -49.245 1.00 0.00 C ATOM 845 CG GLN A 68 -5.119 -13.205 -48.634 1.00 0.00 C ATOM 846 CD GLN A 68 -5.140 -13.273 -47.115 1.00 0.00 C ATOM 847 OE1 GLN A 68 -4.420 -12.550 -46.449 1.00 0.00 O ATOM 848 NE2 GLN A 68 -5.975 -14.143 -46.569 1.00 0.00 N ATOM 0 H GLN A 68 -6.835 -11.741 -47.290 1.00 0.00 H new ATOM 0 HA GLN A 68 -6.848 -11.390 -50.147 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -7.101 -14.022 -48.652 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -6.426 -13.744 -50.246 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -4.489 -14.005 -49.021 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -4.667 -12.264 -48.946 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -6.561 -14.730 -47.163 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -6.033 -14.227 -45.554 1.00 0.00 H new ATOM 857 N SER A 69 -9.621 -11.741 -48.770 1.00 0.00 N ATOM 858 CA SER A 69 -11.052 -11.910 -48.929 1.00 0.00 C ATOM 859 C SER A 69 -11.571 -11.073 -50.102 1.00 0.00 C ATOM 860 O SER A 69 -12.344 -11.552 -50.929 1.00 0.00 O ATOM 861 CB SER A 69 -11.759 -11.496 -47.643 1.00 0.00 C ATOM 862 OG SER A 69 -11.100 -12.038 -46.504 1.00 0.00 O ATOM 0 H SER A 69 -9.353 -11.216 -47.937 1.00 0.00 H new ATOM 0 HA SER A 69 -11.259 -12.959 -49.139 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.784 -10.409 -47.571 1.00 0.00 H new ATOM 0 HB3 SER A 69 -12.794 -11.837 -47.666 1.00 0.00 H new ATOM 0 HG SER A 69 -10.577 -11.336 -46.064 1.00 0.00 H new ATOM 868 N CYS A 70 -11.146 -9.823 -50.156 1.00 0.00 N ATOM 869 CA CYS A 70 -11.564 -8.916 -51.211 1.00 0.00 C ATOM 870 C CYS A 70 -10.468 -8.727 -52.274 1.00 0.00 C ATOM 871 O CYS A 70 -10.711 -8.153 -53.337 1.00 0.00 O ATOM 872 CB CYS A 70 -11.957 -7.580 -50.596 1.00 0.00 C ATOM 873 SG CYS A 70 -10.945 -7.119 -49.176 1.00 0.00 S ATOM 0 H CYS A 70 -10.507 -9.410 -49.476 1.00 0.00 H new ATOM 0 HA CYS A 70 -12.424 -9.352 -51.720 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -11.880 -6.802 -51.356 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -13.002 -7.623 -50.289 1.00 0.00 H new ATOM 878 N SER A 71 -9.271 -9.226 -51.991 1.00 0.00 N ATOM 879 CA SER A 71 -8.151 -9.088 -52.917 1.00 0.00 C ATOM 880 C SER A 71 -8.083 -10.259 -53.906 1.00 0.00 C ATOM 881 O SER A 71 -8.567 -11.359 -53.623 1.00 0.00 O ATOM 882 CB SER A 71 -6.837 -8.962 -52.144 1.00 0.00 C ATOM 883 OG SER A 71 -6.878 -7.856 -51.258 1.00 0.00 O ATOM 0 H SER A 71 -9.050 -9.728 -51.131 1.00 0.00 H new ATOM 0 HA SER A 71 -8.310 -8.179 -53.497 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.651 -9.877 -51.582 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.009 -8.843 -52.843 1.00 0.00 H new ATOM 0 HG SER A 71 -7.189 -8.154 -50.377 1.00 0.00 H new ATOM 889 N THR A 72 -7.493 -9.999 -55.066 1.00 0.00 N ATOM 890 CA THR A 72 -7.338 -10.987 -56.123 1.00 0.00 C ATOM 891 C THR A 72 -6.484 -12.164 -55.681 1.00 0.00 C ATOM 892 O THR A 72 -5.345 -11.992 -55.211 1.00 0.00 O ATOM 893 CB THR A 72 -6.699 -10.357 -57.381 1.00 0.00 C ATOM 894 OG1 THR A 72 -5.632 -9.474 -56.996 1.00 0.00 O ATOM 895 CG2 THR A 72 -7.724 -9.589 -58.193 1.00 0.00 C ATOM 0 H THR A 72 -7.105 -9.085 -55.301 1.00 0.00 H new ATOM 0 HA THR A 72 -8.340 -11.347 -56.357 1.00 0.00 H new ATOM 0 HB THR A 72 -6.306 -11.164 -58.000 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.997 -8.586 -56.800 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.244 -9.158 -59.071 1.00 0.00 H new ATOM 0 HG22 THR A 72 -8.518 -10.265 -58.509 1.00 0.00 H new ATOM 0 HG23 THR A 72 -8.148 -8.791 -57.583 1.00 0.00 H new ATOM 903 N ALA A 73 -7.026 -13.353 -55.834 1.00 0.00 N ATOM 904 CA ALA A 73 -6.317 -14.558 -55.493 1.00 0.00 C ATOM 905 C ALA A 73 -5.131 -14.752 -56.426 1.00 0.00 C ATOM 906 O ALA A 73 -5.210 -14.450 -57.618 1.00 0.00 O ATOM 907 CB ALA A 73 -7.250 -15.758 -55.570 1.00 0.00 C ATOM 0 H ALA A 73 -7.967 -13.507 -56.197 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.947 -14.469 -54.472 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.701 -16.663 -55.310 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.076 -15.622 -54.873 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.642 -15.850 -56.583 1.00 0.00 H new ATOM 913 N CYS A 74 -4.024 -15.205 -55.866 1.00 0.00 N ATOM 914 CA CYS A 74 -2.831 -15.503 -56.637 1.00 0.00 C ATOM 915 C CYS A 74 -3.175 -16.500 -57.743 1.00 0.00 C ATOM 916 O CYS A 74 -4.028 -17.377 -57.555 1.00 0.00 O ATOM 917 CB CYS A 74 -1.763 -16.096 -55.721 1.00 0.00 C ATOM 918 SG CYS A 74 -0.070 -15.866 -56.297 1.00 0.00 S ATOM 0 H CYS A 74 -3.927 -15.376 -54.865 1.00 0.00 H new ATOM 0 HA CYS A 74 -2.449 -14.585 -57.085 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -1.861 -15.647 -54.732 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -1.952 -17.163 -55.607 1.00 0.00 H new ATOM 923 N LYS A 75 -2.522 -16.375 -58.882 1.00 0.00 N ATOM 924 CA LYS A 75 -2.803 -17.251 -60.012 1.00 0.00 C ATOM 925 C LYS A 75 -1.947 -18.511 -59.938 1.00 0.00 C ATOM 926 O LYS A 75 -1.791 -19.247 -60.922 1.00 0.00 O ATOM 927 CB LYS A 75 -2.584 -16.515 -61.336 1.00 0.00 C ATOM 928 CG LYS A 75 -3.434 -15.251 -61.494 1.00 0.00 C ATOM 929 CD LYS A 75 -4.931 -15.550 -61.410 1.00 0.00 C ATOM 930 CE LYS A 75 -5.757 -14.282 -61.542 1.00 0.00 C ATOM 931 NZ LYS A 75 -7.211 -14.551 -61.422 1.00 0.00 N ATOM 0 H LYS A 75 -1.796 -15.680 -59.053 1.00 0.00 H new ATOM 0 HA LYS A 75 -3.850 -17.550 -59.964 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.531 -16.245 -61.420 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.806 -17.195 -62.159 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.164 -14.534 -60.719 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.212 -14.783 -62.453 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.209 -16.251 -62.198 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.154 -16.034 -60.459 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.455 -13.571 -60.773 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.553 -13.815 -62.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.738 -13.660 -61.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.505 -15.209 -62.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.410 -14.973 -60.493 1.00 0.00 H new ATOM 945 N CYS A 76 -1.394 -18.735 -58.769 1.00 0.00 N ATOM 946 CA CYS A 76 -0.602 -19.908 -58.494 1.00 0.00 C ATOM 947 C CYS A 76 -1.443 -20.991 -57.834 1.00 0.00 C ATOM 948 O CYS A 76 -2.568 -20.738 -57.389 1.00 0.00 O ATOM 949 CB CYS A 76 0.561 -19.540 -57.590 1.00 0.00 C ATOM 950 SG CYS A 76 1.656 -18.322 -58.308 1.00 0.00 S ATOM 0 H CYS A 76 -1.483 -18.101 -57.975 1.00 0.00 H new ATOM 0 HA CYS A 76 -0.223 -20.296 -59.439 1.00 0.00 H new ATOM 0 HB2 CYS A 76 0.172 -19.157 -56.646 1.00 0.00 H new ATOM 0 HB3 CYS A 76 1.131 -20.440 -57.358 1.00 0.00 H new ATOM 955 N ALA A 77 -0.890 -22.181 -57.763 1.00 0.00 N ATOM 956 CA ALA A 77 -1.557 -23.307 -57.155 1.00 0.00 C ATOM 957 C ALA A 77 -0.674 -23.886 -56.063 1.00 0.00 C ATOM 958 O ALA A 77 0.486 -23.495 -55.941 1.00 0.00 O ATOM 959 CB ALA A 77 -1.882 -24.359 -58.205 1.00 0.00 C ATOM 0 H ALA A 77 0.039 -22.394 -58.127 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.496 -22.976 -56.711 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.385 -25.202 -57.732 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.535 -23.927 -58.963 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.960 -24.703 -58.673 1.00 0.00 H new ATOM 965 N ALA A 78 -1.206 -24.826 -55.293 1.00 0.00 N ATOM 966 CA ALA A 78 -0.472 -25.424 -54.168 1.00 0.00 C ATOM 967 C ALA A 78 0.886 -25.997 -54.593 1.00 0.00 C ATOM 968 O ALA A 78 1.831 -26.025 -53.805 1.00 0.00 O ATOM 969 CB ALA A 78 -1.315 -26.501 -53.498 1.00 0.00 C ATOM 0 H ALA A 78 -2.147 -25.197 -55.422 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.273 -24.625 -53.454 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.758 -26.934 -52.667 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.239 -26.060 -53.125 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -1.552 -27.281 -54.222 1.00 0.00 H new ATOM 975 N GLY A 79 0.978 -26.438 -55.836 1.00 0.00 N ATOM 976 CA GLY A 79 2.219 -26.992 -56.330 1.00 0.00 C ATOM 977 C GLY A 79 2.723 -26.276 -57.568 1.00 0.00 C ATOM 978 O GLY A 79 3.317 -26.899 -58.455 1.00 0.00 O ATOM 0 H GLY A 79 0.215 -26.422 -56.513 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.976 -26.934 -55.548 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.076 -28.048 -56.558 1.00 0.00 H new ATOM 982 N SER A 80 2.488 -24.969 -57.635 1.00 0.00 N ATOM 983 CA SER A 80 2.917 -24.173 -58.772 1.00 0.00 C ATOM 984 C SER A 80 2.958 -22.690 -58.404 1.00 0.00 C ATOM 985 O SER A 80 1.951 -22.120 -58.018 1.00 0.00 O ATOM 986 CB SER A 80 1.967 -24.395 -59.959 1.00 0.00 C ATOM 987 OG SER A 80 2.425 -23.721 -61.123 1.00 0.00 O ATOM 0 H SER A 80 2.001 -24.441 -56.911 1.00 0.00 H new ATOM 0 HA SER A 80 3.921 -24.488 -59.056 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.882 -25.462 -60.164 1.00 0.00 H new ATOM 0 HB3 SER A 80 0.970 -24.040 -59.700 1.00 0.00 H new ATOM 0 HG SER A 80 1.801 -23.882 -61.861 1.00 0.00 H new ATOM 993 N CYS A 81 4.129 -22.086 -58.525 1.00 0.00 N ATOM 994 CA CYS A 81 4.315 -20.666 -58.228 1.00 0.00 C ATOM 995 C CYS A 81 4.923 -19.967 -59.459 1.00 0.00 C ATOM 996 O CYS A 81 6.107 -20.135 -59.753 1.00 0.00 O ATOM 997 CB CYS A 81 5.231 -20.515 -56.990 1.00 0.00 C ATOM 998 SG CYS A 81 5.403 -18.834 -56.343 1.00 0.00 S ATOM 0 H CYS A 81 4.978 -22.561 -58.831 1.00 0.00 H new ATOM 0 HA CYS A 81 3.357 -20.198 -58.003 1.00 0.00 H new ATOM 0 HB2 CYS A 81 4.845 -21.153 -56.195 1.00 0.00 H new ATOM 0 HB3 CYS A 81 6.222 -20.889 -57.246 1.00 0.00 H new ATOM 1003 N LYS A 82 4.100 -19.199 -60.183 1.00 0.00 N ATOM 1004 CA LYS A 82 4.536 -18.547 -61.440 1.00 0.00 C ATOM 1005 C LYS A 82 5.484 -17.392 -61.188 1.00 0.00 C ATOM 1006 O LYS A 82 6.640 -17.417 -61.615 1.00 0.00 O ATOM 1007 CB LYS A 82 3.334 -18.025 -62.260 1.00 0.00 C ATOM 1008 CG LYS A 82 2.561 -19.081 -63.048 1.00 0.00 C ATOM 1009 CD LYS A 82 1.857 -20.054 -62.138 1.00 0.00 C ATOM 1010 CE LYS A 82 0.896 -20.954 -62.902 1.00 0.00 C ATOM 1011 NZ LYS A 82 -0.267 -20.200 -63.440 1.00 0.00 N ATOM 0 H LYS A 82 3.131 -19.010 -59.928 1.00 0.00 H new ATOM 0 HA LYS A 82 5.058 -19.319 -62.006 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.643 -17.527 -61.580 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.695 -17.269 -62.958 1.00 0.00 H new ATOM 0 HG2 LYS A 82 1.830 -18.591 -63.692 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.247 -19.623 -63.699 1.00 0.00 H new ATOM 0 HD2 LYS A 82 2.596 -20.667 -61.622 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.309 -19.504 -61.373 1.00 0.00 H new ATOM 0 HE2 LYS A 82 1.426 -21.436 -63.723 1.00 0.00 H new ATOM 0 HE3 LYS A 82 0.541 -21.746 -62.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -0.969 -20.868 -63.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -0.699 -19.638 -62.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 0.052 -19.566 -64.200 1.00 0.00 H new ATOM 1025 N CYS A 83 4.984 -16.390 -60.505 1.00 0.00 N ATOM 1026 CA CYS A 83 5.729 -15.176 -60.224 1.00 0.00 C ATOM 1027 C CYS A 83 7.007 -15.483 -59.435 1.00 0.00 C ATOM 1028 O CYS A 83 8.020 -14.794 -59.580 1.00 0.00 O ATOM 1029 CB CYS A 83 4.828 -14.249 -59.450 1.00 0.00 C ATOM 1030 SG CYS A 83 4.173 -15.027 -57.979 1.00 0.00 S ATOM 0 H CYS A 83 4.038 -16.390 -60.123 1.00 0.00 H new ATOM 0 HA CYS A 83 6.039 -14.705 -61.157 1.00 0.00 H new ATOM 0 HB2 CYS A 83 5.383 -13.354 -59.170 1.00 0.00 H new ATOM 0 HB3 CYS A 83 4.005 -13.927 -60.088 1.00 0.00 H new ATOM 1035 N GLY A 84 6.948 -16.511 -58.598 1.00 0.00 N ATOM 1036 CA GLY A 84 8.118 -16.925 -57.857 1.00 0.00 C ATOM 1037 C GLY A 84 8.238 -16.231 -56.524 1.00 0.00 C ATOM 1038 O GLY A 84 9.337 -16.038 -56.018 1.00 0.00 O ATOM 0 H GLY A 84 6.109 -17.064 -58.421 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.080 -18.003 -57.699 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.010 -16.721 -58.450 1.00 0.00 H new ATOM 1042 N LYS A 85 7.113 -15.858 -55.953 1.00 0.00 N ATOM 1043 CA LYS A 85 7.086 -15.205 -54.686 1.00 0.00 C ATOM 1044 C LYS A 85 7.104 -16.246 -53.568 1.00 0.00 C ATOM 1045 O LYS A 85 7.654 -16.015 -52.491 1.00 0.00 O ATOM 1046 CB LYS A 85 5.830 -14.347 -54.618 1.00 0.00 C ATOM 1047 CG LYS A 85 5.306 -14.124 -53.229 1.00 0.00 C ATOM 1048 CD LYS A 85 6.075 -13.049 -52.461 1.00 0.00 C ATOM 1049 CE LYS A 85 5.972 -11.695 -53.157 1.00 0.00 C ATOM 1050 NZ LYS A 85 4.562 -11.351 -53.505 1.00 0.00 N ATOM 0 H LYS A 85 6.192 -16.005 -56.367 1.00 0.00 H new ATOM 0 HA LYS A 85 7.963 -14.569 -54.562 1.00 0.00 H new ATOM 0 HB2 LYS A 85 6.041 -13.379 -55.074 1.00 0.00 H new ATOM 0 HB3 LYS A 85 5.050 -14.818 -55.216 1.00 0.00 H new ATOM 0 HG2 LYS A 85 4.255 -13.840 -53.285 1.00 0.00 H new ATOM 0 HG3 LYS A 85 5.353 -15.061 -52.675 1.00 0.00 H new ATOM 0 HD2 LYS A 85 5.682 -12.971 -51.447 1.00 0.00 H new ATOM 0 HD3 LYS A 85 7.122 -13.338 -52.375 1.00 0.00 H new ATOM 0 HE2 LYS A 85 6.384 -10.922 -52.509 1.00 0.00 H new ATOM 0 HE3 LYS A 85 6.577 -11.707 -54.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 4.455 -10.317 -53.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 4.326 -11.754 -54.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 3.921 -11.742 -52.785 1.00 0.00 H new ATOM 1064 N GLY A 86 6.522 -17.395 -53.846 1.00 0.00 N ATOM 1065 CA GLY A 86 6.459 -18.446 -52.865 1.00 0.00 C ATOM 1066 C GLY A 86 5.053 -18.667 -52.377 1.00 0.00 C ATOM 1067 O GLY A 86 4.803 -19.532 -51.539 1.00 0.00 O ATOM 0 H GLY A 86 6.089 -17.619 -54.742 1.00 0.00 H new ATOM 0 HA2 GLY A 86 6.844 -19.370 -53.296 1.00 0.00 H new ATOM 0 HA3 GLY A 86 7.102 -18.196 -52.021 1.00 0.00 H new ATOM 1071 N CYS A 87 4.129 -17.900 -52.910 1.00 0.00 N ATOM 1072 CA CYS A 87 2.750 -18.010 -52.527 1.00 0.00 C ATOM 1073 C CYS A 87 2.027 -18.969 -53.446 1.00 0.00 C ATOM 1074 O CYS A 87 1.483 -18.583 -54.474 1.00 0.00 O ATOM 1075 CB CYS A 87 2.079 -16.636 -52.512 1.00 0.00 C ATOM 1076 SG CYS A 87 2.552 -15.563 -53.880 1.00 0.00 S ATOM 0 H CYS A 87 4.316 -17.188 -53.616 1.00 0.00 H new ATOM 0 HA CYS A 87 2.699 -18.409 -51.514 1.00 0.00 H new ATOM 0 HB2 CYS A 87 0.998 -16.773 -52.530 1.00 0.00 H new ATOM 0 HB3 CYS A 87 2.321 -16.137 -51.574 1.00 0.00 H new ATOM 1081 N THR A 88 2.043 -20.231 -53.077 1.00 0.00 N ATOM 1082 CA THR A 88 1.423 -21.263 -53.863 1.00 0.00 C ATOM 1083 C THR A 88 -0.084 -21.266 -53.660 1.00 0.00 C ATOM 1084 O THR A 88 -0.662 -22.236 -53.165 1.00 0.00 O ATOM 1085 CB THR A 88 2.000 -22.648 -53.516 1.00 0.00 C ATOM 1086 OG1 THR A 88 1.972 -22.844 -52.093 1.00 0.00 O ATOM 1087 CG2 THR A 88 3.428 -22.785 -54.026 1.00 0.00 C ATOM 0 H THR A 88 2.488 -20.566 -52.222 1.00 0.00 H new ATOM 0 HA THR A 88 1.637 -21.051 -54.910 1.00 0.00 H new ATOM 0 HB THR A 88 1.387 -23.407 -54.001 1.00 0.00 H new ATOM 0 HG1 THR A 88 1.043 -22.841 -51.781 1.00 0.00 H new ATOM 0 HG21 THR A 88 3.813 -23.772 -53.769 1.00 0.00 H new ATOM 0 HG22 THR A 88 3.441 -22.662 -55.109 1.00 0.00 H new ATOM 0 HG23 THR A 88 4.054 -22.020 -53.566 1.00 0.00 H new ATOM 1095 N GLY A 89 -0.699 -20.165 -54.002 1.00 0.00 N ATOM 1096 CA GLY A 89 -2.123 -20.052 -53.888 1.00 0.00 C ATOM 1097 C GLY A 89 -2.540 -18.863 -53.053 1.00 0.00 C ATOM 1098 O GLY A 89 -1.713 -18.267 -52.360 1.00 0.00 O ATOM 0 H GLY A 89 -0.232 -19.333 -54.363 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.559 -19.965 -54.883 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.523 -20.963 -53.443 1.00 0.00 H new ATOM 1102 N PRO A 90 -3.831 -18.511 -53.090 1.00 0.00 N ATOM 1103 CA PRO A 90 -4.387 -17.354 -52.358 1.00 0.00 C ATOM 1104 C PRO A 90 -4.129 -17.411 -50.855 1.00 0.00 C ATOM 1105 O PRO A 90 -3.891 -16.387 -50.226 1.00 0.00 O ATOM 1106 CB PRO A 90 -5.896 -17.448 -52.635 1.00 0.00 C ATOM 1107 CG PRO A 90 -6.108 -18.845 -53.109 1.00 0.00 C ATOM 1108 CD PRO A 90 -4.863 -19.213 -53.851 1.00 0.00 C ATOM 0 HA PRO A 90 -3.926 -16.422 -52.685 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -6.477 -17.243 -51.736 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.206 -16.723 -53.388 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -6.279 -19.521 -52.271 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.983 -18.911 -53.755 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -4.699 -20.291 -53.862 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -4.896 -18.885 -54.890 1.00 0.00 H new ATOM 1116 N ASP A 91 -4.159 -18.611 -50.293 1.00 0.00 N ATOM 1117 CA ASP A 91 -3.950 -18.791 -48.855 1.00 0.00 C ATOM 1118 C ASP A 91 -2.548 -18.361 -48.441 1.00 0.00 C ATOM 1119 O ASP A 91 -2.341 -17.861 -47.335 1.00 0.00 O ATOM 1120 CB ASP A 91 -4.188 -20.244 -48.456 1.00 0.00 C ATOM 1121 CG ASP A 91 -4.092 -20.455 -46.959 1.00 0.00 C ATOM 1122 OD1 ASP A 91 -5.060 -20.127 -46.247 1.00 0.00 O ATOM 1123 OD2 ASP A 91 -3.053 -20.954 -46.486 1.00 0.00 O ATOM 0 H ASP A 91 -4.326 -19.476 -50.806 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.669 -18.158 -48.336 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.174 -20.556 -48.802 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -3.458 -20.880 -48.957 1.00 0.00 H new ATOM 1128 N SER A 92 -1.593 -18.546 -49.335 1.00 0.00 N ATOM 1129 CA SER A 92 -0.224 -18.175 -49.060 1.00 0.00 C ATOM 1130 C SER A 92 0.069 -16.782 -49.609 1.00 0.00 C ATOM 1131 O SER A 92 1.148 -16.222 -49.376 1.00 0.00 O ATOM 1132 CB SER A 92 0.742 -19.203 -49.661 1.00 0.00 C ATOM 1133 OG SER A 92 2.080 -18.947 -49.261 1.00 0.00 O ATOM 0 H SER A 92 -1.745 -18.952 -50.258 1.00 0.00 H new ATOM 0 HA SER A 92 -0.080 -18.159 -47.980 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.452 -20.206 -49.347 1.00 0.00 H new ATOM 0 HB3 SER A 92 0.674 -19.177 -50.749 1.00 0.00 H new ATOM 0 HG SER A 92 2.215 -17.981 -49.169 1.00 0.00 H new ATOM 1139 N CYS A 93 -0.893 -16.223 -50.335 1.00 0.00 N ATOM 1140 CA CYS A 93 -0.753 -14.892 -50.899 1.00 0.00 C ATOM 1141 C CYS A 93 -1.145 -13.862 -49.840 1.00 0.00 C ATOM 1142 O CYS A 93 -2.174 -13.208 -49.937 1.00 0.00 O ATOM 1143 CB CYS A 93 -1.633 -14.753 -52.160 1.00 0.00 C ATOM 1144 SG CYS A 93 -1.212 -13.368 -53.265 1.00 0.00 S ATOM 0 H CYS A 93 -1.782 -16.677 -50.546 1.00 0.00 H new ATOM 0 HA CYS A 93 0.282 -14.721 -51.196 1.00 0.00 H new ATOM 0 HB2 CYS A 93 -1.570 -15.680 -52.729 1.00 0.00 H new ATOM 0 HB3 CYS A 93 -2.671 -14.641 -51.846 1.00 0.00 H new ATOM 1149 N LYS A 94 -0.325 -13.774 -48.804 1.00 0.00 N ATOM 1150 CA LYS A 94 -0.561 -12.867 -47.688 1.00 0.00 C ATOM 1151 C LYS A 94 0.280 -11.606 -47.853 1.00 0.00 C ATOM 1152 O LYS A 94 0.599 -10.921 -46.879 1.00 0.00 O ATOM 1153 CB LYS A 94 -0.201 -13.565 -46.362 1.00 0.00 C ATOM 1154 CG LYS A 94 -1.097 -14.757 -45.993 1.00 0.00 C ATOM 1155 CD LYS A 94 -2.485 -14.318 -45.515 1.00 0.00 C ATOM 1156 CE LYS A 94 -2.397 -13.457 -44.268 1.00 0.00 C ATOM 1157 NZ LYS A 94 -3.735 -13.052 -43.789 1.00 0.00 N ATOM 0 H LYS A 94 0.525 -14.330 -48.712 1.00 0.00 H new ATOM 0 HA LYS A 94 -1.615 -12.591 -47.673 1.00 0.00 H new ATOM 0 HB2 LYS A 94 0.832 -13.909 -46.419 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -0.249 -12.831 -45.558 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -1.204 -15.410 -46.859 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -0.614 -15.342 -45.210 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.985 -13.762 -46.308 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -3.095 -15.197 -45.309 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -1.880 -14.007 -43.482 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -1.802 -12.569 -44.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -3.633 -12.358 -43.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -4.270 -12.626 -44.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -4.245 -13.887 -43.436 1.00 0.00 H new ATOM 1171 N CYS A 95 0.639 -11.314 -49.084 1.00 0.00 N ATOM 1172 CA CYS A 95 1.446 -10.156 -49.395 1.00 0.00 C ATOM 1173 C CYS A 95 0.613 -9.103 -50.129 1.00 0.00 C ATOM 1174 O CYS A 95 -0.614 -9.137 -50.081 1.00 0.00 O ATOM 1175 CB CYS A 95 2.663 -10.581 -50.221 1.00 0.00 C ATOM 1176 SG CYS A 95 2.274 -11.615 -51.648 1.00 0.00 S ATOM 0 H CYS A 95 0.379 -11.873 -49.897 1.00 0.00 H new ATOM 0 HA CYS A 95 1.801 -9.706 -48.468 1.00 0.00 H new ATOM 0 HB2 CYS A 95 3.182 -9.687 -50.567 1.00 0.00 H new ATOM 0 HB3 CYS A 95 3.355 -11.121 -49.574 1.00 0.00 H new ATOM 1181 N ASP A 96 1.279 -8.165 -50.786 1.00 0.00 N ATOM 1182 CA ASP A 96 0.584 -7.097 -51.496 1.00 0.00 C ATOM 1183 C ASP A 96 0.272 -7.504 -52.926 1.00 0.00 C ATOM 1184 O ASP A 96 0.601 -8.609 -53.360 1.00 0.00 O ATOM 1185 CB ASP A 96 1.426 -5.818 -51.516 1.00 0.00 C ATOM 1186 CG ASP A 96 1.900 -5.398 -50.148 1.00 0.00 C ATOM 1187 OD1 ASP A 96 1.139 -4.736 -49.433 1.00 0.00 O ATOM 1188 OD2 ASP A 96 3.044 -5.734 -49.781 1.00 0.00 O ATOM 0 H ASP A 96 2.296 -8.120 -50.843 1.00 0.00 H new ATOM 0 HA ASP A 96 -0.349 -6.910 -50.965 1.00 0.00 H new ATOM 0 HB2 ASP A 96 2.291 -5.970 -52.162 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.839 -5.011 -51.954 1.00 0.00 H new ATOM 1193 N ARG A 97 -0.320 -6.584 -53.668 1.00 0.00 N ATOM 1194 CA ARG A 97 -0.693 -6.817 -55.060 1.00 0.00 C ATOM 1195 C ARG A 97 0.518 -6.659 -55.998 1.00 0.00 C ATOM 1196 O ARG A 97 0.359 -6.438 -57.196 1.00 0.00 O ATOM 1197 CB ARG A 97 -1.795 -5.842 -55.475 1.00 0.00 C ATOM 1198 CG ARG A 97 -1.386 -4.388 -55.375 1.00 0.00 C ATOM 1199 CD ARG A 97 -2.492 -3.452 -55.826 1.00 0.00 C ATOM 1200 NE ARG A 97 -2.081 -2.057 -55.666 1.00 0.00 N ATOM 1201 CZ ARG A 97 -2.746 -1.003 -56.133 1.00 0.00 C ATOM 1202 NH1 ARG A 97 -3.888 -1.161 -56.785 1.00 0.00 N ATOM 1203 NH2 ARG A 97 -2.260 0.215 -55.933 1.00 0.00 N ATOM 0 H ARG A 97 -0.557 -5.653 -53.326 1.00 0.00 H new ATOM 0 HA ARG A 97 -1.058 -7.841 -55.143 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -2.092 -6.058 -56.501 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -2.671 -6.008 -54.848 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -1.115 -4.158 -54.345 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -0.498 -4.219 -55.984 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -2.738 -3.647 -56.870 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -3.395 -3.640 -55.245 1.00 0.00 H new ATOM 0 HE ARG A 97 -1.216 -1.878 -55.156 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -4.265 -2.097 -56.933 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -4.390 -0.347 -57.139 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -1.384 0.337 -55.425 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -2.762 1.029 -56.287 1.00 0.00 H new ATOM 1217 N SER A 98 1.719 -6.793 -55.440 1.00 0.00 N ATOM 1218 CA SER A 98 2.966 -6.632 -56.198 1.00 0.00 C ATOM 1219 C SER A 98 3.099 -7.697 -57.295 1.00 0.00 C ATOM 1220 O SER A 98 3.814 -7.503 -58.277 1.00 0.00 O ATOM 1221 CB SER A 98 4.154 -6.735 -55.250 1.00 0.00 C ATOM 1222 OG SER A 98 3.865 -6.116 -54.005 1.00 0.00 O ATOM 0 H SER A 98 1.859 -7.015 -54.454 1.00 0.00 H new ATOM 0 HA SER A 98 2.947 -5.652 -56.675 1.00 0.00 H new ATOM 0 HB2 SER A 98 4.406 -7.783 -55.089 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.026 -6.263 -55.701 1.00 0.00 H new ATOM 0 HG SER A 98 4.641 -6.196 -53.412 1.00 0.00 H new ATOM 1228 N CYS A 99 2.419 -8.817 -57.102 1.00 0.00 N ATOM 1229 CA CYS A 99 2.437 -9.927 -58.048 1.00 0.00 C ATOM 1230 C CYS A 99 2.065 -9.472 -59.461 1.00 0.00 C ATOM 1231 O CYS A 99 1.020 -8.862 -59.673 1.00 0.00 O ATOM 1232 CB CYS A 99 1.467 -10.994 -57.581 1.00 0.00 C ATOM 1233 SG CYS A 99 1.938 -11.801 -56.033 1.00 0.00 S ATOM 0 H CYS A 99 1.836 -8.984 -56.282 1.00 0.00 H new ATOM 0 HA CYS A 99 3.450 -10.328 -58.086 1.00 0.00 H new ATOM 0 HB2 CYS A 99 0.482 -10.544 -57.458 1.00 0.00 H new ATOM 0 HB3 CYS A 99 1.376 -11.752 -58.359 1.00 0.00 H new ATOM 1238 N SER A 100 2.919 -9.791 -60.421 1.00 0.00 N ATOM 1239 CA SER A 100 2.693 -9.409 -61.808 1.00 0.00 C ATOM 1240 C SER A 100 1.644 -10.306 -62.476 1.00 0.00 C ATOM 1241 O SER A 100 1.322 -10.131 -63.649 1.00 0.00 O ATOM 1242 CB SER A 100 4.006 -9.468 -62.583 1.00 0.00 C ATOM 1243 OG SER A 100 5.004 -8.688 -61.945 1.00 0.00 O ATOM 0 H SER A 100 3.779 -10.316 -60.265 1.00 0.00 H new ATOM 0 HA SER A 100 2.311 -8.388 -61.818 1.00 0.00 H new ATOM 0 HB2 SER A 100 4.341 -10.502 -62.661 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.850 -9.106 -63.599 1.00 0.00 H new ATOM 0 HG SER A 100 5.838 -8.741 -62.457 1.00 0.00 H new ATOM 1249 N CYS A 101 1.137 -11.275 -61.732 1.00 0.00 N ATOM 1250 CA CYS A 101 0.106 -12.169 -62.244 1.00 0.00 C ATOM 1251 C CYS A 101 -1.301 -11.662 -61.899 1.00 0.00 C ATOM 1252 O CYS A 101 -2.294 -12.276 -62.279 1.00 0.00 O ATOM 1253 CB CYS A 101 0.304 -13.559 -61.662 1.00 0.00 C ATOM 1254 SG CYS A 101 0.478 -13.546 -59.879 1.00 0.00 S ATOM 0 H CYS A 101 1.421 -11.464 -60.771 1.00 0.00 H new ATOM 0 HA CYS A 101 0.196 -12.202 -63.330 1.00 0.00 H new ATOM 0 HB2 CYS A 101 -0.544 -14.187 -61.935 1.00 0.00 H new ATOM 0 HB3 CYS A 101 1.191 -14.011 -62.106 1.00 0.00 H new ATOM 1259 N LYS A 102 -1.385 -10.544 -61.178 1.00 0.00 N ATOM 1260 CA LYS A 102 -2.686 -10.009 -60.785 1.00 0.00 C ATOM 1261 C LYS A 102 -3.415 -9.403 -61.984 1.00 0.00 C ATOM 1262 O LYS A 102 -3.174 -8.185 -62.273 1.00 0.00 O ATOM 1263 CB LYS A 102 -2.545 -8.955 -59.682 1.00 0.00 C ATOM 1264 CG LYS A 102 -1.820 -9.434 -58.434 1.00 0.00 C ATOM 1265 CD LYS A 102 -2.474 -10.665 -57.826 1.00 0.00 C ATOM 1266 CE LYS A 102 -1.890 -10.971 -56.440 1.00 0.00 C ATOM 1267 NZ LYS A 102 -2.621 -12.053 -55.734 1.00 0.00 N ATOM 0 H LYS A 102 -0.583 -10.000 -60.860 1.00 0.00 H new ATOM 0 HA LYS A 102 -3.273 -10.842 -60.398 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -2.013 -8.094 -60.087 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -3.539 -8.611 -59.398 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -0.783 -9.661 -58.683 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -1.802 -8.632 -57.696 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -3.549 -10.507 -57.744 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -2.327 -11.522 -58.484 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -0.843 -11.256 -56.547 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -1.914 -10.066 -55.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -1.993 -12.496 -55.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -3.451 -11.654 -55.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -2.931 -12.769 -56.422 1.00 0.00 H new TER 1281 LYS A 102 HETATM 1282 CD CD A 200 1.372 -13.079 -53.700 1.00 0.00 CD HETATM 1283 CD CD A 201 3.408 -17.153 -56.815 1.00 0.00 CD HETATM 1284 CD CD A 202 1.614 -14.060 -57.555 1.00 0.00 CD HETATM 1285 CD CD A 203 -8.933 -3.283 -46.381 1.00 0.00 CD HETATM 1286 CD CD A 204 -11.240 -7.407 -46.581 1.00 0.00 CD HETATM 1287 CD CD A 205 -11.576 -4.526 -49.896 1.00 0.00 CD HETATM 1288 CD CD A 206 1.022 -3.750 -31.097 1.00 0.00 CD HETATM 1289 CD CD A 207 2.087 -4.475 -35.446 1.00 0.00 CD HETATM 1290 CD CD A 208 -1.917 -5.137 -34.163 1.00 0.00 CD