USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 691 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 87 ASN : amide:sc= -3.33! C(o=-3.3!,f=-11!) USER MOD Set 1.2: A 99 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 62 THR OG1 : rot -29:sc= 1.51 USER MOD Set 2.2: A 81 CYS SG : rot 100:sc= -2.14 USER MOD Set 2.3: A 95 CYS SG : rot -145:sc= -1.48! USER MOD Set 3.1: A 48 ASN : amide:sc= -0.0189 K(o=-9.4,f=-7.7) USER MOD Set 3.2: A 73 ASN : amide:sc= -8.85! C(o=-9.4!,f=-7.7!) USER MOD Set 3.3: A 74 SER OG : rot 180:sc= -0.512 USER MOD Set 4.1: A 59 CYS SG : rot 50:sc= -7.19! USER MOD Set 4.2: A 79 CYS SG : rot 89:sc= -0.778 USER MOD Set 5.1: A 52 CYS SG : rot 94:sc= -0.0409 USER MOD Set 5.2: A 65 CYS SG : rot 146:sc= -2.94! USER MOD Set 6.1: A 32 CYS SG : rot 160:sc= 1.08 USER MOD Set 6.2: A 44 CYS SG : rot -88:sc= -3.64! USER MOD Set 6.3: A 55 ASN : amide:sc= -1.58 X(o=-4.1,f=-4.1) USER MOD Set 7.1: A 11 THR OG1 : rot 15:sc= 0.818 USER MOD Set 7.2: A 20 CYS SG : rot 25:sc= 0.217 USER MOD Single : A 1 GLY N :NH3+ -111:sc= 0.0647 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -172:sc= -0.424 (180deg=-0.564) USER MOD Single : A 6 HIS : no HD1:sc= -4.73! C(o=-4.7!,f=-5.1!) USER MOD Single : A 8 CYS SG : rot 150:sc= -3.03 USER MOD Single : A 16 LYS NZ :NH3+ 153:sc= 0.686 (180deg=0.342) USER MOD Single : A 17 ASN : amide:sc= -1.85! X(o=-1.8!,f=-1.9) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -168:sc= 1.23 (180deg=1.01) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.365 K(o=-0.36,f=-2.7!) USER MOD Single : A 43 THR OG1 : rot -130:sc= -3.15! USER MOD Single : A 47 ASN : amide:sc= -2.19! C(o=-2.2!,f=-3.1!) USER MOD Single : A 49 ASN : amide:sc= 0.207 X(o=0.21,f=0) USER MOD Single : A 51 THR OG1 : rot -72:sc=0.000432 USER MOD Single : A 56 ASN : amide:sc= -4.27 X(o=-4.3,f=-4.5!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.469 X(o=-0.47,f=0) USER MOD Single : A 67 ASN : amide:sc= 0.829 K(o=0.83,f=-5.8!) USER MOD Single : A 70 SER OG : rot 178:sc= -2.48 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -165:sc= -0.0313 (180deg=-0.256) USER MOD Single : A 76 LYS NZ :NH3+ -139:sc= -0.409 (180deg=-1.77) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -120:sc= -0.0012 (180deg=-0.166) USER MOD Single : A 85 THR OG1 : rot 0:sc= 1.23 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 146:sc= 0.846 USER MOD Single : A 97 SER OG : rot 48:sc= -1.69! USER MOD Single : A 98 SER OG : rot 9:sc= 0.668 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.579 -12.583 7.070 1.00 0.00 N ATOM 2 CA GLY A 1 -6.905 -11.651 5.971 1.00 0.00 C ATOM 3 C GLY A 1 -8.177 -10.872 6.234 1.00 0.00 C ATOM 4 O GLY A 1 -8.864 -11.094 7.230 1.00 0.00 O ATOM 0 H1 GLY A 1 -5.728 -12.250 7.567 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.376 -12.625 7.737 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.403 -13.531 6.681 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.078 -10.955 5.831 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.011 -12.211 5.042 1.00 0.00 H new ATOM 10 N VAL A 2 -8.476 -9.948 5.337 1.00 0.00 N ATOM 11 CA VAL A 2 -9.693 -9.157 5.402 1.00 0.00 C ATOM 12 C VAL A 2 -10.429 -9.299 4.078 1.00 0.00 C ATOM 13 O VAL A 2 -10.087 -10.160 3.266 1.00 0.00 O ATOM 14 CB VAL A 2 -9.358 -7.672 5.683 1.00 0.00 C ATOM 15 CG1 VAL A 2 -8.690 -7.041 4.482 1.00 0.00 C ATOM 16 CG2 VAL A 2 -10.584 -6.873 6.115 1.00 0.00 C ATOM 0 H VAL A 2 -7.879 -9.725 4.540 1.00 0.00 H new ATOM 0 HA VAL A 2 -10.325 -9.513 6.215 1.00 0.00 H new ATOM 0 HB VAL A 2 -8.660 -7.650 6.520 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.462 -5.997 4.699 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.767 -7.575 4.257 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -9.359 -7.095 3.623 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -10.297 -5.838 6.300 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -11.336 -6.906 5.327 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.996 -7.304 7.027 1.00 0.00 H new ATOM 26 N ASP A 3 -11.426 -8.470 3.858 1.00 0.00 N ATOM 27 CA ASP A 3 -12.131 -8.453 2.599 1.00 0.00 C ATOM 28 C ASP A 3 -11.912 -7.128 1.900 1.00 0.00 C ATOM 29 O ASP A 3 -12.704 -6.218 2.035 1.00 0.00 O ATOM 30 CB ASP A 3 -13.629 -8.674 2.821 1.00 0.00 C ATOM 31 CG ASP A 3 -14.168 -8.005 4.079 1.00 0.00 C ATOM 32 OD1 ASP A 3 -13.949 -6.789 4.272 1.00 0.00 O ATOM 33 OD2 ASP A 3 -14.837 -8.695 4.874 1.00 0.00 O ATOM 0 H ASP A 3 -11.767 -7.795 4.542 1.00 0.00 H new ATOM 0 HA ASP A 3 -11.744 -9.259 1.976 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -14.175 -8.295 1.957 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -13.825 -9.745 2.878 1.00 0.00 H new ATOM 38 N PRO A 4 -10.853 -7.059 1.090 1.00 0.00 N ATOM 39 CA PRO A 4 -10.479 -5.916 0.249 1.00 0.00 C ATOM 40 C PRO A 4 -11.619 -5.111 -0.396 1.00 0.00 C ATOM 41 O PRO A 4 -11.383 -3.975 -0.766 1.00 0.00 O ATOM 42 CB PRO A 4 -9.688 -6.630 -0.841 1.00 0.00 C ATOM 43 CG PRO A 4 -8.961 -7.706 -0.134 1.00 0.00 C ATOM 44 CD PRO A 4 -9.785 -8.067 1.060 1.00 0.00 C ATOM 0 HA PRO A 4 -9.975 -5.152 0.842 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.348 -7.036 -1.608 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -8.999 -5.949 -1.341 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -8.821 -8.570 -0.783 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -7.969 -7.370 0.167 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -10.192 -9.074 0.971 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -9.191 -8.043 1.974 1.00 0.00 H new ATOM 52 N LYS A 5 -12.825 -5.687 -0.516 1.00 0.00 N ATOM 53 CA LYS A 5 -14.051 -5.019 -1.058 1.00 0.00 C ATOM 54 C LYS A 5 -14.329 -3.580 -0.516 1.00 0.00 C ATOM 55 O LYS A 5 -15.397 -3.024 -0.728 1.00 0.00 O ATOM 56 CB LYS A 5 -15.258 -5.911 -0.784 1.00 0.00 C ATOM 57 CG LYS A 5 -15.479 -6.157 0.691 1.00 0.00 C ATOM 58 CD LYS A 5 -16.530 -5.214 1.261 1.00 0.00 C ATOM 59 CE LYS A 5 -17.092 -5.700 2.592 1.00 0.00 C ATOM 60 NZ LYS A 5 -16.159 -5.484 3.732 1.00 0.00 N ATOM 0 H LYS A 5 -12.994 -6.653 -0.236 1.00 0.00 H new ATOM 0 HA LYS A 5 -13.870 -4.887 -2.125 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -16.149 -5.450 -1.209 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -15.121 -6.866 -1.291 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -15.792 -7.189 0.846 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -14.540 -6.025 1.228 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.091 -4.225 1.395 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -17.344 -5.107 0.544 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -18.030 -5.183 2.794 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -17.324 -6.762 2.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -16.534 -5.953 4.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -15.228 -5.883 3.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -16.063 -4.464 3.914 1.00 0.00 H new ATOM 74 N HIS A 6 -13.377 -3.049 0.218 1.00 0.00 N ATOM 75 CA HIS A 6 -13.360 -1.707 0.816 1.00 0.00 C ATOM 76 C HIS A 6 -13.358 -0.579 -0.232 1.00 0.00 C ATOM 77 O HIS A 6 -12.737 0.440 -0.015 1.00 0.00 O ATOM 78 CB HIS A 6 -12.071 -1.569 1.627 1.00 0.00 C ATOM 79 CG HIS A 6 -11.873 -2.536 2.743 1.00 0.00 C ATOM 80 ND1 HIS A 6 -11.002 -2.312 3.783 1.00 0.00 N ATOM 81 CD2 HIS A 6 -12.373 -3.760 2.941 1.00 0.00 C ATOM 82 CE1 HIS A 6 -10.982 -3.368 4.568 1.00 0.00 C ATOM 83 NE2 HIS A 6 -11.815 -4.264 4.085 1.00 0.00 N ATOM 0 H HIS A 6 -12.528 -3.570 0.436 1.00 0.00 H new ATOM 0 HA HIS A 6 -14.262 -1.609 1.420 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -11.228 -1.662 0.943 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -12.036 -0.561 2.041 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -13.091 -4.263 2.310 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -10.382 -3.480 5.459 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -12.012 -5.178 4.493 1.00 0.00 H new ATOM 92 N VAL A 7 -14.001 -0.801 -1.363 1.00 0.00 N ATOM 93 CA VAL A 7 -13.956 0.101 -2.540 1.00 0.00 C ATOM 94 C VAL A 7 -13.919 1.592 -2.214 1.00 0.00 C ATOM 95 O VAL A 7 -14.580 2.080 -1.294 1.00 0.00 O ATOM 96 CB VAL A 7 -15.124 -0.199 -3.513 1.00 0.00 C ATOM 97 CG1 VAL A 7 -16.035 -1.251 -2.922 1.00 0.00 C ATOM 98 CG2 VAL A 7 -15.927 1.045 -3.858 1.00 0.00 C ATOM 0 H VAL A 7 -14.585 -1.624 -1.510 1.00 0.00 H new ATOM 0 HA VAL A 7 -13.001 -0.119 -3.016 1.00 0.00 H new ATOM 0 HB VAL A 7 -14.683 -0.569 -4.439 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -16.853 -1.455 -3.614 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -15.469 -2.167 -2.749 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -16.441 -0.891 -1.976 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -16.733 0.780 -4.542 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -16.349 1.470 -2.947 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -15.275 1.779 -4.332 1.00 0.00 H new ATOM 108 N CYS A 8 -13.148 2.304 -3.028 1.00 0.00 N ATOM 109 CA CYS A 8 -12.861 3.704 -2.808 1.00 0.00 C ATOM 110 C CYS A 8 -13.648 4.586 -3.759 1.00 0.00 C ATOM 111 O CYS A 8 -13.859 4.245 -4.920 1.00 0.00 O ATOM 112 CB CYS A 8 -11.370 3.947 -3.010 1.00 0.00 C ATOM 113 SG CYS A 8 -10.330 2.505 -2.685 1.00 0.00 S ATOM 0 H CYS A 8 -12.705 1.918 -3.862 1.00 0.00 H new ATOM 0 HA CYS A 8 -13.153 3.958 -1.789 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -11.203 4.277 -4.035 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -11.055 4.762 -2.358 1.00 0.00 H new ATOM 0 HG CYS A 8 -9.270 2.556 -3.436 1.00 0.00 H new ATOM 119 N VAL A 9 -14.070 5.727 -3.245 1.00 0.00 N ATOM 120 CA VAL A 9 -14.812 6.695 -4.030 1.00 0.00 C ATOM 121 C VAL A 9 -13.898 7.813 -4.513 1.00 0.00 C ATOM 122 O VAL A 9 -13.641 7.959 -5.706 1.00 0.00 O ATOM 123 CB VAL A 9 -15.941 7.328 -3.199 1.00 0.00 C ATOM 124 CG1 VAL A 9 -16.826 8.202 -4.073 1.00 0.00 C ATOM 125 CG2 VAL A 9 -16.757 6.258 -2.487 1.00 0.00 C ATOM 0 H VAL A 9 -13.909 6.007 -2.278 1.00 0.00 H new ATOM 0 HA VAL A 9 -15.233 6.162 -4.882 1.00 0.00 H new ATOM 0 HB VAL A 9 -15.489 7.963 -2.437 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -17.618 8.640 -3.466 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -16.227 8.997 -4.517 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -17.268 7.596 -4.864 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -17.549 6.731 -1.906 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -17.199 5.587 -3.224 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -16.109 5.689 -1.821 1.00 0.00 H new ATOM 135 N ASP A 10 -13.389 8.578 -3.559 1.00 0.00 N ATOM 136 CA ASP A 10 -12.659 9.799 -3.862 1.00 0.00 C ATOM 137 C ASP A 10 -11.171 9.546 -3.967 1.00 0.00 C ATOM 138 O ASP A 10 -10.610 9.610 -5.056 1.00 0.00 O ATOM 139 CB ASP A 10 -12.931 10.859 -2.797 1.00 0.00 C ATOM 140 CG ASP A 10 -14.339 11.410 -2.869 1.00 0.00 C ATOM 141 OD1 ASP A 10 -14.587 12.319 -3.687 1.00 0.00 O ATOM 142 OD2 ASP A 10 -15.202 10.941 -2.102 1.00 0.00 O ATOM 0 H ASP A 10 -13.469 8.373 -2.563 1.00 0.00 H new ATOM 0 HA ASP A 10 -13.010 10.160 -4.829 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -12.764 10.428 -1.810 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -12.219 11.676 -2.913 1.00 0.00 H new ATOM 147 N THR A 11 -10.538 9.260 -2.832 1.00 0.00 N ATOM 148 CA THR A 11 -9.089 9.046 -2.768 1.00 0.00 C ATOM 149 C THR A 11 -8.322 10.206 -3.412 1.00 0.00 C ATOM 150 O THR A 11 -7.266 10.020 -4.010 1.00 0.00 O ATOM 151 CB THR A 11 -8.676 7.690 -3.392 1.00 0.00 C ATOM 152 OG1 THR A 11 -9.144 7.561 -4.741 1.00 0.00 O ATOM 153 CG2 THR A 11 -9.227 6.543 -2.558 1.00 0.00 C ATOM 0 H THR A 11 -11.010 9.170 -1.932 1.00 0.00 H new ATOM 0 HA THR A 11 -8.820 9.013 -1.712 1.00 0.00 H new ATOM 0 HB THR A 11 -7.587 7.654 -3.404 1.00 0.00 H new ATOM 0 HG1 THR A 11 -9.419 8.439 -5.077 1.00 0.00 H new ATOM 0 HG21 THR A 11 -8.931 5.594 -3.005 1.00 0.00 H new ATOM 0 HG22 THR A 11 -8.830 6.607 -1.545 1.00 0.00 H new ATOM 0 HG23 THR A 11 -10.315 6.606 -2.526 1.00 0.00 H new ATOM 161 N ARG A 12 -8.876 11.408 -3.273 1.00 0.00 N ATOM 162 CA ARG A 12 -8.245 12.618 -3.784 1.00 0.00 C ATOM 163 C ARG A 12 -7.292 13.163 -2.733 1.00 0.00 C ATOM 164 O ARG A 12 -6.365 13.920 -3.023 1.00 0.00 O ATOM 165 CB ARG A 12 -9.313 13.658 -4.109 1.00 0.00 C ATOM 166 CG ARG A 12 -10.585 13.054 -4.666 1.00 0.00 C ATOM 167 CD ARG A 12 -11.519 14.125 -5.197 1.00 0.00 C ATOM 168 NE ARG A 12 -12.848 13.594 -5.499 1.00 0.00 N ATOM 169 CZ ARG A 12 -13.535 13.890 -6.602 1.00 0.00 C ATOM 170 NH1 ARG A 12 -12.995 14.663 -7.538 1.00 0.00 N ATOM 171 NH2 ARG A 12 -14.751 13.387 -6.781 1.00 0.00 N ATOM 0 H ARG A 12 -9.769 11.568 -2.806 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.690 12.388 -4.693 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -9.551 14.220 -3.206 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.910 14.369 -4.830 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.338 12.355 -5.465 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -11.090 12.482 -3.887 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.607 14.926 -4.463 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -11.091 14.565 -6.098 1.00 0.00 H new ATOM 0 HE ARG A 12 -13.275 12.959 -4.825 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -12.052 15.032 -7.414 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -13.523 14.888 -8.381 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -15.159 12.775 -6.075 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -15.277 13.613 -7.625 1.00 0.00 H new ATOM 185 N ASP A 13 -7.554 12.752 -1.501 1.00 0.00 N ATOM 186 CA ASP A 13 -6.738 13.112 -0.342 1.00 0.00 C ATOM 187 C ASP A 13 -5.427 12.346 -0.369 1.00 0.00 C ATOM 188 O ASP A 13 -4.485 12.662 0.357 1.00 0.00 O ATOM 189 CB ASP A 13 -7.477 12.748 0.946 1.00 0.00 C ATOM 190 CG ASP A 13 -8.892 13.281 0.985 1.00 0.00 C ATOM 191 OD1 ASP A 13 -9.754 12.747 0.250 1.00 0.00 O ATOM 192 OD2 ASP A 13 -9.159 14.227 1.757 1.00 0.00 O ATOM 0 H ASP A 13 -8.347 12.153 -1.271 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.545 14.184 -0.377 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -7.500 11.663 1.051 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -6.923 13.139 1.799 1.00 0.00 H new ATOM 197 N ILE A 14 -5.400 11.331 -1.212 1.00 0.00 N ATOM 198 CA ILE A 14 -4.279 10.418 -1.316 1.00 0.00 C ATOM 199 C ILE A 14 -3.084 11.121 -1.969 1.00 0.00 C ATOM 200 O ILE A 14 -3.156 11.564 -3.117 1.00 0.00 O ATOM 201 CB ILE A 14 -4.702 9.157 -2.119 1.00 0.00 C ATOM 202 CG1 ILE A 14 -5.499 8.161 -1.246 1.00 0.00 C ATOM 203 CG2 ILE A 14 -3.489 8.458 -2.717 1.00 0.00 C ATOM 204 CD1 ILE A 14 -6.617 8.763 -0.417 1.00 0.00 C ATOM 0 H ILE A 14 -6.165 11.115 -1.851 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.975 10.101 -0.319 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.350 9.499 -2.926 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.924 7.396 -1.896 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -4.804 7.658 -0.574 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.813 7.579 -3.274 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.970 9.142 -3.389 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -2.814 8.152 -1.917 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.109 7.977 0.156 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.204 9.506 0.266 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -7.342 9.240 -1.076 1.00 0.00 H new ATOM 216 N PRO A 15 -1.989 11.265 -1.206 1.00 0.00 N ATOM 217 CA PRO A 15 -0.777 11.979 -1.640 1.00 0.00 C ATOM 218 C PRO A 15 -0.056 11.323 -2.814 1.00 0.00 C ATOM 219 O PRO A 15 -0.462 10.268 -3.304 1.00 0.00 O ATOM 220 CB PRO A 15 0.132 11.945 -0.413 1.00 0.00 C ATOM 221 CG PRO A 15 -0.733 11.561 0.730 1.00 0.00 C ATOM 222 CD PRO A 15 -1.865 10.761 0.168 1.00 0.00 C ATOM 0 HA PRO A 15 -1.037 12.978 -1.990 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.941 11.227 -0.547 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.593 12.918 -0.243 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -0.172 10.977 1.460 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.105 12.445 1.247 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.650 9.693 0.186 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.784 10.911 0.735 1.00 0.00 H new ATOM 230 N LYS A 16 1.027 11.959 -3.255 1.00 0.00 N ATOM 231 CA LYS A 16 1.855 11.413 -4.322 1.00 0.00 C ATOM 232 C LYS A 16 2.596 10.184 -3.822 1.00 0.00 C ATOM 233 O LYS A 16 2.831 10.035 -2.617 1.00 0.00 O ATOM 234 CB LYS A 16 2.875 12.438 -4.817 1.00 0.00 C ATOM 235 CG LYS A 16 4.161 12.399 -4.034 1.00 0.00 C ATOM 236 CD LYS A 16 5.111 13.509 -4.434 1.00 0.00 C ATOM 237 CE LYS A 16 6.328 13.544 -3.524 1.00 0.00 C ATOM 238 NZ LYS A 16 7.285 14.616 -3.900 1.00 0.00 N ATOM 0 H LYS A 16 1.350 12.854 -2.888 1.00 0.00 H new ATOM 0 HA LYS A 16 1.197 11.147 -5.149 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.089 12.253 -5.870 1.00 0.00 H new ATOM 0 HB3 LYS A 16 2.443 13.437 -4.750 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.939 12.480 -2.970 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.647 11.435 -4.186 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.429 13.365 -5.466 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.594 14.467 -4.391 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.004 13.695 -2.494 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.834 12.579 -3.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.822 14.912 -3.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.941 14.258 -4.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.762 15.430 -4.281 1.00 0.00 H new ATOM 252 N ASN A 17 2.974 9.327 -4.764 1.00 0.00 N ATOM 253 CA ASN A 17 3.688 8.074 -4.480 1.00 0.00 C ATOM 254 C ASN A 17 2.895 7.177 -3.541 1.00 0.00 C ATOM 255 O ASN A 17 3.399 6.166 -3.041 1.00 0.00 O ATOM 256 CB ASN A 17 5.054 8.374 -3.875 1.00 0.00 C ATOM 257 CG ASN A 17 5.914 9.217 -4.792 1.00 0.00 C ATOM 258 OD1 ASN A 17 5.979 8.977 -5.996 1.00 0.00 O ATOM 259 ND2 ASN A 17 6.532 10.242 -4.234 1.00 0.00 N ATOM 0 H ASN A 17 2.795 9.478 -5.757 1.00 0.00 H new ATOM 0 HA ASN A 17 3.815 7.545 -5.424 1.00 0.00 H new ATOM 0 HB2 ASN A 17 4.923 8.892 -2.925 1.00 0.00 H new ATOM 0 HB3 ASN A 17 5.567 7.437 -3.659 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.092 10.873 -4.807 1.00 0.00 H new ATOM 0 HD22 ASN A 17 6.449 10.402 -3.230 1.00 0.00 H new ATOM 266 N ALA A 18 1.655 7.554 -3.313 1.00 0.00 N ATOM 267 CA ALA A 18 0.788 6.838 -2.414 1.00 0.00 C ATOM 268 C ALA A 18 -0.350 6.200 -3.190 1.00 0.00 C ATOM 269 O ALA A 18 -0.966 6.830 -4.051 1.00 0.00 O ATOM 270 CB ALA A 18 0.255 7.778 -1.336 1.00 0.00 C ATOM 0 H ALA A 18 1.223 8.368 -3.749 1.00 0.00 H new ATOM 0 HA ALA A 18 1.355 6.047 -1.924 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.399 7.225 -0.662 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.089 8.194 -0.771 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.306 8.587 -1.804 1.00 0.00 H new ATOM 276 N GLY A 19 -0.593 4.937 -2.905 1.00 0.00 N ATOM 277 CA GLY A 19 -1.707 4.247 -3.508 1.00 0.00 C ATOM 278 C GLY A 19 -2.999 4.640 -2.826 1.00 0.00 C ATOM 279 O GLY A 19 -2.979 5.102 -1.683 1.00 0.00 O ATOM 0 H GLY A 19 -0.036 4.373 -2.263 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.761 4.487 -4.570 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.561 3.170 -3.432 1.00 0.00 H new ATOM 283 N CYS A 20 -4.118 4.464 -3.496 1.00 0.00 N ATOM 284 CA CYS A 20 -5.375 4.924 -2.960 1.00 0.00 C ATOM 285 C CYS A 20 -6.232 3.753 -2.503 1.00 0.00 C ATOM 286 O CYS A 20 -6.383 2.764 -3.224 1.00 0.00 O ATOM 287 CB CYS A 20 -6.105 5.746 -4.012 1.00 0.00 C ATOM 288 SG CYS A 20 -6.595 4.803 -5.475 1.00 0.00 S ATOM 0 H CYS A 20 -4.180 4.009 -4.407 1.00 0.00 H new ATOM 0 HA CYS A 20 -5.180 5.550 -2.089 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -6.995 6.186 -3.561 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -5.464 6.571 -4.322 1.00 0.00 H new ATOM 0 HG CYS A 20 -6.714 3.547 -5.162 1.00 0.00 H new ATOM 294 N PHE A 21 -6.776 3.863 -1.300 1.00 0.00 N ATOM 295 CA PHE A 21 -7.598 2.813 -0.737 1.00 0.00 C ATOM 296 C PHE A 21 -8.729 3.423 0.085 1.00 0.00 C ATOM 297 O PHE A 21 -8.656 4.566 0.494 1.00 0.00 O ATOM 298 CB PHE A 21 -6.722 1.897 0.120 1.00 0.00 C ATOM 299 CG PHE A 21 -7.418 0.693 0.694 1.00 0.00 C ATOM 300 CD1 PHE A 21 -8.050 -0.244 -0.124 1.00 0.00 C ATOM 301 CD2 PHE A 21 -7.428 0.495 2.063 1.00 0.00 C ATOM 302 CE1 PHE A 21 -8.678 -1.352 0.432 1.00 0.00 C ATOM 303 CE2 PHE A 21 -8.049 -0.606 2.615 1.00 0.00 C ATOM 304 CZ PHE A 21 -8.671 -1.527 1.799 1.00 0.00 C ATOM 0 H PHE A 21 -6.659 4.676 -0.695 1.00 0.00 H new ATOM 0 HA PHE A 21 -8.046 2.221 -1.535 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -5.881 1.556 -0.484 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -6.308 2.482 0.941 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -8.051 -0.107 -1.195 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -6.943 1.212 2.708 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -9.169 -2.073 -0.204 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -8.048 -0.747 3.686 1.00 0.00 H new ATOM 0 HZ PHE A 21 -9.155 -2.389 2.233 1.00 0.00 H new ATOM 314 N ARG A 22 -9.814 2.701 0.203 1.00 0.00 N ATOM 315 CA ARG A 22 -10.874 3.017 1.131 1.00 0.00 C ATOM 316 C ARG A 22 -10.983 1.861 2.084 1.00 0.00 C ATOM 317 O ARG A 22 -10.645 0.754 1.716 1.00 0.00 O ATOM 318 CB ARG A 22 -12.207 3.174 0.408 1.00 0.00 C ATOM 319 CG ARG A 22 -13.329 3.705 1.285 1.00 0.00 C ATOM 320 CD ARG A 22 -13.704 5.129 0.925 1.00 0.00 C ATOM 321 NE ARG A 22 -14.971 5.515 1.550 1.00 0.00 N ATOM 322 CZ ARG A 22 -15.454 6.755 1.595 1.00 0.00 C ATOM 323 NH1 ARG A 22 -14.754 7.766 1.101 1.00 0.00 N ATOM 324 NH2 ARG A 22 -16.640 6.985 2.146 1.00 0.00 N ATOM 0 H ARG A 22 -9.990 1.863 -0.351 1.00 0.00 H new ATOM 0 HA ARG A 22 -10.649 3.953 1.641 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -12.072 3.847 -0.438 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -12.504 2.207 0.002 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -14.204 3.063 1.183 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.023 3.664 2.330 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -12.915 5.808 1.246 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -13.785 5.224 -0.158 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.526 4.777 1.984 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -13.839 7.597 0.683 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -15.130 8.713 1.139 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.180 6.212 2.534 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.011 7.935 2.181 1.00 0.00 H new ATOM 338 N ASP A 23 -11.360 2.098 3.310 1.00 0.00 N ATOM 339 CA ASP A 23 -11.750 0.999 4.162 1.00 0.00 C ATOM 340 C ASP A 23 -13.264 0.936 4.189 1.00 0.00 C ATOM 341 O ASP A 23 -13.929 1.965 4.077 1.00 0.00 O ATOM 342 CB ASP A 23 -11.186 1.159 5.572 1.00 0.00 C ATOM 343 CG ASP A 23 -11.467 -0.054 6.428 1.00 0.00 C ATOM 344 OD1 ASP A 23 -12.570 -0.138 6.997 1.00 0.00 O ATOM 345 OD2 ASP A 23 -10.592 -0.941 6.511 1.00 0.00 O ATOM 0 H ASP A 23 -11.407 3.022 3.739 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.344 0.068 3.765 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -10.110 1.324 5.517 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -11.620 2.043 6.039 1.00 0.00 H new ATOM 350 N ASP A 24 -13.809 -0.270 4.330 1.00 0.00 N ATOM 351 CA ASP A 24 -15.249 -0.469 4.223 1.00 0.00 C ATOM 352 C ASP A 24 -15.971 0.146 5.417 1.00 0.00 C ATOM 353 O ASP A 24 -17.201 0.159 5.472 1.00 0.00 O ATOM 354 CB ASP A 24 -15.608 -1.954 4.077 1.00 0.00 C ATOM 355 CG ASP A 24 -15.310 -2.773 5.310 1.00 0.00 C ATOM 356 OD1 ASP A 24 -16.194 -2.892 6.178 1.00 0.00 O ATOM 357 OD2 ASP A 24 -14.206 -3.338 5.388 1.00 0.00 O ATOM 0 H ASP A 24 -13.277 -1.120 4.518 1.00 0.00 H new ATOM 0 HA ASP A 24 -15.582 0.039 3.318 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -16.669 -2.041 3.841 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -15.058 -2.371 3.233 1.00 0.00 H new ATOM 362 N ASP A 25 -15.197 0.629 6.383 1.00 0.00 N ATOM 363 CA ASP A 25 -15.733 1.434 7.471 1.00 0.00 C ATOM 364 C ASP A 25 -16.222 2.780 6.937 1.00 0.00 C ATOM 365 O ASP A 25 -17.147 3.385 7.483 1.00 0.00 O ATOM 366 CB ASP A 25 -14.666 1.652 8.545 1.00 0.00 C ATOM 367 CG ASP A 25 -15.177 2.467 9.712 1.00 0.00 C ATOM 368 OD1 ASP A 25 -15.988 1.939 10.500 1.00 0.00 O ATOM 369 OD2 ASP A 25 -14.763 3.634 9.857 1.00 0.00 O ATOM 0 H ASP A 25 -14.190 0.475 6.433 1.00 0.00 H new ATOM 0 HA ASP A 25 -16.575 0.903 7.916 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -14.316 0.685 8.907 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -13.807 2.156 8.102 1.00 0.00 H new ATOM 374 N GLY A 26 -15.604 3.225 5.848 1.00 0.00 N ATOM 375 CA GLY A 26 -16.008 4.463 5.207 1.00 0.00 C ATOM 376 C GLY A 26 -14.910 5.509 5.187 1.00 0.00 C ATOM 377 O GLY A 26 -15.168 6.682 4.921 1.00 0.00 O ATOM 0 H GLY A 26 -14.825 2.747 5.395 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -16.318 4.251 4.184 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -16.877 4.867 5.726 1.00 0.00 H new ATOM 381 N THR A 27 -13.682 5.090 5.451 1.00 0.00 N ATOM 382 CA THR A 27 -12.551 6.006 5.456 1.00 0.00 C ATOM 383 C THR A 27 -11.628 5.743 4.269 1.00 0.00 C ATOM 384 O THR A 27 -11.291 4.600 3.988 1.00 0.00 O ATOM 385 CB THR A 27 -11.755 5.878 6.767 1.00 0.00 C ATOM 386 OG1 THR A 27 -12.617 6.117 7.889 1.00 0.00 O ATOM 387 CG2 THR A 27 -10.587 6.851 6.803 1.00 0.00 C ATOM 0 H THR A 27 -13.443 4.122 5.665 1.00 0.00 H new ATOM 0 HA THR A 27 -12.946 7.019 5.375 1.00 0.00 H new ATOM 0 HB THR A 27 -11.357 4.865 6.820 1.00 0.00 H new ATOM 0 HG1 THR A 27 -12.104 6.032 8.720 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.046 6.735 7.742 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.916 6.645 5.969 1.00 0.00 H new ATOM 0 HG23 THR A 27 -10.961 7.872 6.724 1.00 0.00 H new ATOM 395 N LYS A 28 -11.230 6.796 3.565 1.00 0.00 N ATOM 396 CA LYS A 28 -10.288 6.641 2.463 1.00 0.00 C ATOM 397 C LYS A 28 -8.873 6.744 3.001 1.00 0.00 C ATOM 398 O LYS A 28 -8.491 7.751 3.602 1.00 0.00 O ATOM 399 CB LYS A 28 -10.486 7.679 1.349 1.00 0.00 C ATOM 400 CG LYS A 28 -11.672 8.598 1.558 1.00 0.00 C ATOM 401 CD LYS A 28 -11.569 9.867 0.727 1.00 0.00 C ATOM 402 CE LYS A 28 -12.594 10.895 1.191 1.00 0.00 C ATOM 403 NZ LYS A 28 -12.336 12.252 0.641 1.00 0.00 N ATOM 0 H LYS A 28 -11.539 7.753 3.734 1.00 0.00 H new ATOM 0 HA LYS A 28 -10.469 5.662 2.020 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -9.583 8.283 1.267 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -10.608 7.157 0.400 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -12.589 8.069 1.299 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -11.744 8.862 2.613 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -10.565 10.283 0.811 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -11.730 9.633 -0.325 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -13.590 10.569 0.891 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.588 10.942 2.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.928 12.947 1.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -11.333 12.495 0.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -12.566 12.265 -0.373 1.00 0.00 H new ATOM 417 N GLU A 29 -8.120 5.693 2.787 1.00 0.00 N ATOM 418 CA GLU A 29 -6.762 5.604 3.258 1.00 0.00 C ATOM 419 C GLU A 29 -5.783 5.673 2.109 1.00 0.00 C ATOM 420 O GLU A 29 -6.150 5.583 0.937 1.00 0.00 O ATOM 421 CB GLU A 29 -6.531 4.306 4.013 1.00 0.00 C ATOM 422 CG GLU A 29 -7.420 4.145 5.235 1.00 0.00 C ATOM 423 CD GLU A 29 -7.119 2.884 6.025 1.00 0.00 C ATOM 424 OE1 GLU A 29 -6.127 2.193 5.705 1.00 0.00 O ATOM 425 OE2 GLU A 29 -7.865 2.586 6.981 1.00 0.00 O ATOM 0 H GLU A 29 -8.436 4.869 2.276 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.600 6.450 3.926 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.701 3.468 3.338 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -5.488 4.258 4.325 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.297 5.012 5.884 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.463 4.129 4.919 1.00 0.00 H new ATOM 432 N TRP A 30 -4.537 5.838 2.466 1.00 0.00 N ATOM 433 CA TRP A 30 -3.459 5.857 1.518 1.00 0.00 C ATOM 434 C TRP A 30 -2.232 5.270 2.168 1.00 0.00 C ATOM 435 O TRP A 30 -2.034 5.382 3.379 1.00 0.00 O ATOM 436 CB TRP A 30 -3.172 7.275 1.049 1.00 0.00 C ATOM 437 CG TRP A 30 -3.002 8.220 2.184 1.00 0.00 C ATOM 438 CD1 TRP A 30 -3.990 8.799 2.923 1.00 0.00 C ATOM 439 CD2 TRP A 30 -1.768 8.675 2.729 1.00 0.00 C ATOM 440 NE1 TRP A 30 -3.439 9.614 3.879 1.00 0.00 N ATOM 441 CE2 TRP A 30 -2.079 9.552 3.779 1.00 0.00 C ATOM 442 CE3 TRP A 30 -0.427 8.436 2.424 1.00 0.00 C ATOM 443 CZ2 TRP A 30 -1.103 10.183 4.524 1.00 0.00 C ATOM 444 CZ3 TRP A 30 0.539 9.064 3.165 1.00 0.00 C ATOM 445 CH2 TRP A 30 0.195 9.930 4.204 1.00 0.00 C ATOM 0 H TRP A 30 -4.241 5.964 3.434 1.00 0.00 H new ATOM 0 HA TRP A 30 -3.739 5.267 0.646 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -2.269 7.278 0.438 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -3.988 7.617 0.413 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -5.048 8.640 2.778 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -3.960 10.174 4.554 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -0.156 7.769 1.619 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -1.360 10.853 5.331 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 1.581 8.887 2.942 1.00 0.00 H new ATOM 0 HH2 TRP A 30 0.979 10.412 4.769 1.00 0.00 H new ATOM 456 N ARG A 31 -1.438 4.633 1.367 1.00 0.00 N ATOM 457 CA ARG A 31 -0.226 4.002 1.817 1.00 0.00 C ATOM 458 C ARG A 31 0.854 4.316 0.847 1.00 0.00 C ATOM 459 O ARG A 31 0.602 4.832 -0.239 1.00 0.00 O ATOM 460 CB ARG A 31 -0.376 2.496 1.959 1.00 0.00 C ATOM 461 CG ARG A 31 -1.479 2.103 2.904 1.00 0.00 C ATOM 462 CD ARG A 31 -1.649 0.606 2.968 1.00 0.00 C ATOM 463 NE ARG A 31 -2.774 0.219 3.818 1.00 0.00 N ATOM 464 CZ ARG A 31 -3.474 -0.894 3.643 1.00 0.00 C ATOM 465 NH1 ARG A 31 -3.145 -1.726 2.672 1.00 0.00 N ATOM 466 NH2 ARG A 31 -4.503 -1.180 4.431 1.00 0.00 N ATOM 0 H ARG A 31 -1.611 4.532 0.367 1.00 0.00 H new ATOM 0 HA ARG A 31 0.017 4.389 2.807 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.573 2.062 0.979 1.00 0.00 H new ATOM 0 HB3 ARG A 31 0.565 2.074 2.312 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.260 2.488 3.900 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.414 2.562 2.584 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.803 0.215 1.962 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.734 0.153 3.349 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.034 0.838 4.586 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.356 -1.511 2.062 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.679 -2.584 2.532 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.764 -0.541 5.182 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.033 -2.039 4.286 1.00 0.00 H new ATOM 480 N CYS A 32 2.040 3.962 1.211 1.00 0.00 N ATOM 481 CA CYS A 32 3.184 4.344 0.445 1.00 0.00 C ATOM 482 C CYS A 32 3.641 3.118 -0.270 1.00 0.00 C ATOM 483 O CYS A 32 3.753 2.051 0.324 1.00 0.00 O ATOM 484 CB CYS A 32 4.284 4.854 1.365 1.00 0.00 C ATOM 485 SG CYS A 32 3.693 5.404 2.984 1.00 0.00 S ATOM 0 H CYS A 32 2.246 3.405 2.040 1.00 0.00 H new ATOM 0 HA CYS A 32 2.942 5.143 -0.255 1.00 0.00 H new ATOM 0 HB2 CYS A 32 5.020 4.063 1.508 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.797 5.682 0.876 1.00 0.00 H new ATOM 0 HG CYS A 32 4.683 5.414 3.827 1.00 0.00 H new ATOM 491 N LEU A 33 3.799 3.297 -1.569 1.00 0.00 N ATOM 492 CA LEU A 33 4.061 2.232 -2.521 1.00 0.00 C ATOM 493 C LEU A 33 5.153 1.271 -2.068 1.00 0.00 C ATOM 494 O LEU A 33 5.786 1.470 -1.043 1.00 0.00 O ATOM 495 CB LEU A 33 4.407 2.881 -3.846 1.00 0.00 C ATOM 496 CG LEU A 33 3.312 2.792 -4.901 1.00 0.00 C ATOM 497 CD1 LEU A 33 1.932 2.909 -4.261 1.00 0.00 C ATOM 498 CD2 LEU A 33 3.504 3.892 -5.924 1.00 0.00 C ATOM 0 H LEU A 33 3.747 4.218 -2.005 1.00 0.00 H new ATOM 0 HA LEU A 33 3.169 1.613 -2.613 1.00 0.00 H new ATOM 0 HB2 LEU A 33 4.640 3.931 -3.671 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.311 2.415 -4.239 1.00 0.00 H new ATOM 0 HG LEU A 33 3.378 1.822 -5.393 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.166 2.843 -5.034 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.794 2.101 -3.543 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.849 3.867 -3.749 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.720 3.828 -6.679 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.453 4.862 -5.429 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.477 3.779 -6.401 1.00 0.00 H new ATOM 510 N LEU A 34 5.380 0.232 -2.840 1.00 0.00 N ATOM 511 CA LEU A 34 6.299 -0.809 -2.429 1.00 0.00 C ATOM 512 C LEU A 34 7.699 -0.266 -2.231 1.00 0.00 C ATOM 513 O LEU A 34 8.337 0.233 -3.161 1.00 0.00 O ATOM 514 CB LEU A 34 6.294 -1.949 -3.428 1.00 0.00 C ATOM 515 CG LEU A 34 4.931 -2.602 -3.607 1.00 0.00 C ATOM 516 CD1 LEU A 34 5.057 -3.846 -4.440 1.00 0.00 C ATOM 517 CD2 LEU A 34 4.302 -2.923 -2.264 1.00 0.00 C ATOM 0 H LEU A 34 4.945 0.084 -3.751 1.00 0.00 H new ATOM 0 HA LEU A 34 5.960 -1.194 -1.467 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.637 -1.576 -4.393 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.010 -2.705 -3.106 1.00 0.00 H new ATOM 0 HG LEU A 34 4.279 -1.898 -4.124 1.00 0.00 H new ATOM 0 HD11 LEU A 34 4.075 -4.304 -4.561 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.460 -3.589 -5.419 1.00 0.00 H new ATOM 0 HD13 LEU A 34 5.727 -4.549 -3.945 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.329 -3.389 -2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.948 -3.607 -1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.177 -2.004 -1.692 1.00 0.00 H new ATOM 529 N GLY A 35 8.155 -0.348 -0.994 1.00 0.00 N ATOM 530 CA GLY A 35 9.446 0.186 -0.638 1.00 0.00 C ATOM 531 C GLY A 35 9.429 1.691 -0.490 1.00 0.00 C ATOM 532 O GLY A 35 10.467 2.332 -0.489 1.00 0.00 O ATOM 0 H GLY A 35 7.646 -0.780 -0.223 1.00 0.00 H new ATOM 0 HA2 GLY A 35 9.776 -0.264 0.298 1.00 0.00 H new ATOM 0 HA3 GLY A 35 10.174 -0.093 -1.400 1.00 0.00 H new ATOM 536 N TYR A 36 8.246 2.256 -0.404 1.00 0.00 N ATOM 537 CA TYR A 36 8.091 3.674 -0.160 1.00 0.00 C ATOM 538 C TYR A 36 7.852 3.953 1.321 1.00 0.00 C ATOM 539 O TYR A 36 7.717 3.031 2.128 1.00 0.00 O ATOM 540 CB TYR A 36 6.929 4.216 -0.984 1.00 0.00 C ATOM 541 CG TYR A 36 7.218 4.349 -2.460 1.00 0.00 C ATOM 542 CD1 TYR A 36 7.673 3.277 -3.214 1.00 0.00 C ATOM 543 CD2 TYR A 36 7.032 5.559 -3.095 1.00 0.00 C ATOM 544 CE1 TYR A 36 7.928 3.413 -4.563 1.00 0.00 C ATOM 545 CE2 TYR A 36 7.282 5.710 -4.436 1.00 0.00 C ATOM 546 CZ TYR A 36 7.730 4.634 -5.173 1.00 0.00 C ATOM 547 OH TYR A 36 7.974 4.776 -6.521 1.00 0.00 O ATOM 0 H TYR A 36 7.366 1.749 -0.501 1.00 0.00 H new ATOM 0 HA TYR A 36 9.012 4.175 -0.457 1.00 0.00 H new ATOM 0 HB2 TYR A 36 6.069 3.559 -0.853 1.00 0.00 H new ATOM 0 HB3 TYR A 36 6.647 5.193 -0.592 1.00 0.00 H new ATOM 0 HD1 TYR A 36 7.830 2.321 -2.737 1.00 0.00 H new ATOM 0 HD2 TYR A 36 6.682 6.406 -2.524 1.00 0.00 H new ATOM 0 HE1 TYR A 36 8.280 2.569 -5.137 1.00 0.00 H new ATOM 0 HE2 TYR A 36 7.129 6.667 -4.912 1.00 0.00 H new ATOM 0 HH TYR A 36 7.784 5.698 -6.793 1.00 0.00 H new ATOM 557 N LYS A 37 7.794 5.231 1.666 1.00 0.00 N ATOM 558 CA LYS A 37 7.608 5.655 3.044 1.00 0.00 C ATOM 559 C LYS A 37 7.010 7.052 3.076 1.00 0.00 C ATOM 560 O LYS A 37 7.098 7.784 2.094 1.00 0.00 O ATOM 561 CB LYS A 37 8.957 5.676 3.767 1.00 0.00 C ATOM 562 CG LYS A 37 9.888 6.768 3.258 1.00 0.00 C ATOM 563 CD LYS A 37 11.197 6.810 4.023 1.00 0.00 C ATOM 564 CE LYS A 37 12.023 8.027 3.636 1.00 0.00 C ATOM 565 NZ LYS A 37 13.251 8.159 4.459 1.00 0.00 N ATOM 0 H LYS A 37 7.874 6.000 1.001 1.00 0.00 H new ATOM 0 HA LYS A 37 6.936 4.955 3.540 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.789 5.818 4.834 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.442 4.707 3.647 1.00 0.00 H new ATOM 0 HG2 LYS A 37 10.093 6.604 2.200 1.00 0.00 H new ATOM 0 HG3 LYS A 37 9.390 7.734 3.340 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.995 6.830 5.094 1.00 0.00 H new ATOM 0 HD3 LYS A 37 11.767 5.902 3.824 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.299 7.956 2.584 1.00 0.00 H new ATOM 0 HE3 LYS A 37 11.416 8.926 3.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.781 9.002 4.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.989 8.253 5.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 13.845 7.314 4.335 1.00 0.00 H new ATOM 579 N LYS A 38 6.386 7.411 4.185 1.00 0.00 N ATOM 580 CA LYS A 38 5.946 8.777 4.387 1.00 0.00 C ATOM 581 C LYS A 38 7.139 9.696 4.596 1.00 0.00 C ATOM 582 O LYS A 38 7.902 9.531 5.549 1.00 0.00 O ATOM 583 CB LYS A 38 4.992 8.863 5.553 1.00 0.00 C ATOM 584 CG LYS A 38 3.734 8.069 5.313 1.00 0.00 C ATOM 585 CD LYS A 38 2.606 8.591 6.155 1.00 0.00 C ATOM 586 CE LYS A 38 1.468 7.594 6.245 1.00 0.00 C ATOM 587 NZ LYS A 38 0.657 7.779 7.475 1.00 0.00 N ATOM 0 H LYS A 38 6.174 6.777 4.955 1.00 0.00 H new ATOM 0 HA LYS A 38 5.416 9.103 3.492 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.486 8.497 6.453 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.733 9.906 5.734 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.461 8.121 4.259 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.911 7.019 5.545 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.973 8.816 7.156 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.238 9.526 5.732 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.827 7.697 5.370 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.872 6.582 6.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.109 7.076 7.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.262 7.655 8.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.249 8.736 7.481 1.00 0.00 H new ATOM 601 N GLY A 39 7.306 10.651 3.695 1.00 0.00 N ATOM 602 CA GLY A 39 8.473 11.507 3.739 1.00 0.00 C ATOM 603 C GLY A 39 8.139 12.984 3.737 1.00 0.00 C ATOM 604 O GLY A 39 8.760 13.768 4.455 1.00 0.00 O ATOM 0 H GLY A 39 6.655 10.849 2.935 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.051 11.274 4.633 1.00 0.00 H new ATOM 0 HA3 GLY A 39 9.109 11.285 2.882 1.00 0.00 H new ATOM 608 N GLU A 40 7.156 13.368 2.937 1.00 0.00 N ATOM 609 CA GLU A 40 6.837 14.779 2.751 1.00 0.00 C ATOM 610 C GLU A 40 5.901 15.280 3.850 1.00 0.00 C ATOM 611 O GLU A 40 5.651 16.477 3.968 1.00 0.00 O ATOM 612 CB GLU A 40 6.190 14.994 1.378 1.00 0.00 C ATOM 613 CG GLU A 40 6.759 14.113 0.274 1.00 0.00 C ATOM 614 CD GLU A 40 8.195 14.464 -0.078 1.00 0.00 C ATOM 615 OE1 GLU A 40 9.086 14.291 0.778 1.00 0.00 O ATOM 616 OE2 GLU A 40 8.445 14.904 -1.221 1.00 0.00 O ATOM 0 H GLU A 40 6.566 12.727 2.407 1.00 0.00 H new ATOM 0 HA GLU A 40 7.766 15.347 2.807 1.00 0.00 H new ATOM 0 HB2 GLU A 40 5.119 14.808 1.460 1.00 0.00 H new ATOM 0 HB3 GLU A 40 6.311 16.039 1.092 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.711 13.070 0.587 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.138 14.208 -0.617 1.00 0.00 H new ATOM 623 N GLY A 41 5.396 14.354 4.658 1.00 0.00 N ATOM 624 CA GLY A 41 4.419 14.698 5.676 1.00 0.00 C ATOM 625 C GLY A 41 3.015 14.482 5.166 1.00 0.00 C ATOM 626 O GLY A 41 2.470 15.333 4.460 1.00 0.00 O ATOM 0 H GLY A 41 5.647 13.366 4.626 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.585 14.091 6.566 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.547 15.739 5.972 1.00 0.00 H new ATOM 630 N ASN A 42 2.428 13.344 5.528 1.00 0.00 N ATOM 631 CA ASN A 42 1.212 12.865 4.882 1.00 0.00 C ATOM 632 C ASN A 42 1.448 12.791 3.386 1.00 0.00 C ATOM 633 O ASN A 42 0.769 13.447 2.598 1.00 0.00 O ATOM 634 CB ASN A 42 0.002 13.752 5.189 1.00 0.00 C ATOM 635 CG ASN A 42 -0.686 13.379 6.489 1.00 0.00 C ATOM 636 OD1 ASN A 42 -0.614 12.235 6.937 1.00 0.00 O ATOM 637 ND2 ASN A 42 -1.372 14.332 7.095 1.00 0.00 N ATOM 0 H ASN A 42 2.777 12.735 6.268 1.00 0.00 H new ATOM 0 HA ASN A 42 0.982 11.876 5.277 1.00 0.00 H new ATOM 0 HB2 ASN A 42 0.323 14.792 5.239 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -0.714 13.678 4.370 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -1.865 14.131 7.965 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -1.408 15.269 6.693 1.00 0.00 H new ATOM 644 N THR A 43 2.446 12.003 3.012 1.00 0.00 N ATOM 645 CA THR A 43 2.894 11.898 1.634 1.00 0.00 C ATOM 646 C THR A 43 3.872 10.751 1.555 1.00 0.00 C ATOM 647 O THR A 43 4.388 10.322 2.581 1.00 0.00 O ATOM 648 CB THR A 43 3.607 13.164 1.142 1.00 0.00 C ATOM 649 OG1 THR A 43 3.362 14.268 2.018 1.00 0.00 O ATOM 650 CG2 THR A 43 3.148 13.528 -0.251 1.00 0.00 C ATOM 0 H THR A 43 2.970 11.416 3.661 1.00 0.00 H new ATOM 0 HA THR A 43 2.016 11.748 1.006 1.00 0.00 H new ATOM 0 HB THR A 43 4.676 12.951 1.129 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.071 15.043 1.494 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.666 14.429 -0.581 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.373 12.709 -0.934 1.00 0.00 H new ATOM 0 HG23 THR A 43 2.073 13.709 -0.244 1.00 0.00 H new ATOM 658 N CYS A 44 4.160 10.267 0.366 1.00 0.00 N ATOM 659 CA CYS A 44 5.013 9.112 0.248 1.00 0.00 C ATOM 660 C CYS A 44 6.153 9.377 -0.718 1.00 0.00 C ATOM 661 O CYS A 44 6.042 10.220 -1.606 1.00 0.00 O ATOM 662 CB CYS A 44 4.178 7.917 -0.183 1.00 0.00 C ATOM 663 SG CYS A 44 2.693 7.692 0.822 1.00 0.00 S ATOM 0 H CYS A 44 3.821 10.650 -0.517 1.00 0.00 H new ATOM 0 HA CYS A 44 5.464 8.892 1.216 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.888 8.041 -1.226 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.788 7.015 -0.127 1.00 0.00 H new ATOM 0 HG CYS A 44 2.974 6.950 1.852 1.00 0.00 H new ATOM 669 N VAL A 45 7.254 8.678 -0.501 1.00 0.00 N ATOM 670 CA VAL A 45 8.462 8.827 -1.290 1.00 0.00 C ATOM 671 C VAL A 45 9.196 7.499 -1.335 1.00 0.00 C ATOM 672 O VAL A 45 8.886 6.591 -0.561 1.00 0.00 O ATOM 673 CB VAL A 45 9.408 9.887 -0.689 1.00 0.00 C ATOM 674 CG1 VAL A 45 8.826 11.284 -0.831 1.00 0.00 C ATOM 675 CG2 VAL A 45 9.702 9.581 0.773 1.00 0.00 C ATOM 0 H VAL A 45 7.334 7.981 0.240 1.00 0.00 H new ATOM 0 HA VAL A 45 8.170 9.148 -2.290 1.00 0.00 H new ATOM 0 HB VAL A 45 10.344 9.851 -1.246 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.514 12.010 -0.399 1.00 0.00 H new ATOM 0 HG12 VAL A 45 8.676 11.510 -1.887 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.870 11.335 -0.309 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.371 10.341 1.176 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.770 9.580 1.339 1.00 0.00 H new ATOM 0 HG23 VAL A 45 10.175 8.602 0.852 1.00 0.00 H new ATOM 685 N GLU A 46 10.164 7.392 -2.226 1.00 0.00 N ATOM 686 CA GLU A 46 10.946 6.175 -2.370 1.00 0.00 C ATOM 687 C GLU A 46 11.826 5.957 -1.145 1.00 0.00 C ATOM 688 O GLU A 46 12.814 6.663 -0.947 1.00 0.00 O ATOM 689 CB GLU A 46 11.814 6.256 -3.629 1.00 0.00 C ATOM 690 CG GLU A 46 11.464 5.249 -4.716 1.00 0.00 C ATOM 691 CD GLU A 46 12.272 5.475 -5.977 1.00 0.00 C ATOM 692 OE1 GLU A 46 12.042 6.499 -6.655 1.00 0.00 O ATOM 693 OE2 GLU A 46 13.140 4.633 -6.293 1.00 0.00 O ATOM 0 H GLU A 46 10.430 8.140 -2.867 1.00 0.00 H new ATOM 0 HA GLU A 46 10.261 5.332 -2.461 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.732 7.260 -4.045 1.00 0.00 H new ATOM 0 HB3 GLU A 46 12.856 6.113 -3.344 1.00 0.00 H new ATOM 0 HG2 GLU A 46 11.643 4.239 -4.346 1.00 0.00 H new ATOM 0 HG3 GLU A 46 10.401 5.320 -4.948 1.00 0.00 H new ATOM 700 N ASN A 47 11.448 4.990 -0.324 1.00 0.00 N ATOM 701 CA ASN A 47 12.236 4.614 0.838 1.00 0.00 C ATOM 702 C ASN A 47 13.274 3.588 0.420 1.00 0.00 C ATOM 703 O ASN A 47 12.993 2.396 0.357 1.00 0.00 O ATOM 704 CB ASN A 47 11.331 4.041 1.929 1.00 0.00 C ATOM 705 CG ASN A 47 12.099 3.605 3.165 1.00 0.00 C ATOM 706 OD1 ASN A 47 13.205 4.078 3.427 1.00 0.00 O ATOM 707 ND2 ASN A 47 11.500 2.725 3.951 1.00 0.00 N ATOM 0 H ASN A 47 10.593 4.447 -0.443 1.00 0.00 H new ATOM 0 HA ASN A 47 12.737 5.495 1.240 1.00 0.00 H new ATOM 0 HB2 ASN A 47 10.592 4.791 2.212 1.00 0.00 H new ATOM 0 HB3 ASN A 47 10.783 3.188 1.529 1.00 0.00 H new ATOM 0 HD21 ASN A 47 11.955 2.415 4.810 1.00 0.00 H new ATOM 0 HD22 ASN A 47 10.583 2.357 3.698 1.00 0.00 H new ATOM 714 N ASN A 48 14.478 4.049 0.133 1.00 0.00 N ATOM 715 CA ASN A 48 15.488 3.200 -0.490 1.00 0.00 C ATOM 716 C ASN A 48 16.126 2.233 0.504 1.00 0.00 C ATOM 717 O ASN A 48 17.238 1.752 0.301 1.00 0.00 O ATOM 718 CB ASN A 48 16.541 4.050 -1.187 1.00 0.00 C ATOM 719 CG ASN A 48 16.529 3.820 -2.681 1.00 0.00 C ATOM 720 OD1 ASN A 48 17.177 2.903 -3.185 1.00 0.00 O ATOM 721 ND2 ASN A 48 15.795 4.658 -3.397 1.00 0.00 N ATOM 0 H ASN A 48 14.784 5.004 0.319 1.00 0.00 H new ATOM 0 HA ASN A 48 14.984 2.588 -1.238 1.00 0.00 H new ATOM 0 HB2 ASN A 48 16.358 5.104 -0.977 1.00 0.00 H new ATOM 0 HB3 ASN A 48 17.527 3.812 -0.788 1.00 0.00 H new ATOM 0 HD21 ASN A 48 15.750 4.558 -4.411 1.00 0.00 H new ATOM 0 HD22 ASN A 48 15.275 5.403 -2.934 1.00 0.00 H new ATOM 728 N ASN A 49 15.381 1.925 1.552 1.00 0.00 N ATOM 729 CA ASN A 49 15.762 0.930 2.536 1.00 0.00 C ATOM 730 C ASN A 49 14.498 0.477 3.261 1.00 0.00 C ATOM 731 O ASN A 49 14.295 0.786 4.437 1.00 0.00 O ATOM 732 CB ASN A 49 16.768 1.515 3.528 1.00 0.00 C ATOM 733 CG ASN A 49 17.467 0.450 4.359 1.00 0.00 C ATOM 734 OD1 ASN A 49 18.545 -0.023 4.004 1.00 0.00 O ATOM 735 ND2 ASN A 49 16.855 0.065 5.467 1.00 0.00 N ATOM 0 H ASN A 49 14.482 2.366 1.745 1.00 0.00 H new ATOM 0 HA ASN A 49 16.239 0.081 2.046 1.00 0.00 H new ATOM 0 HB2 ASN A 49 17.515 2.092 2.983 1.00 0.00 H new ATOM 0 HB3 ASN A 49 16.253 2.208 4.193 1.00 0.00 H new ATOM 0 HD21 ASN A 49 17.277 -0.649 6.061 1.00 0.00 H new ATOM 0 HD22 ASN A 49 15.961 0.482 5.727 1.00 0.00 H new ATOM 742 N PRO A 50 13.608 -0.234 2.551 1.00 0.00 N ATOM 743 CA PRO A 50 12.305 -0.603 3.072 1.00 0.00 C ATOM 744 C PRO A 50 12.367 -1.802 3.998 1.00 0.00 C ATOM 745 O PRO A 50 13.016 -2.807 3.704 1.00 0.00 O ATOM 746 CB PRO A 50 11.484 -0.934 1.824 1.00 0.00 C ATOM 747 CG PRO A 50 12.411 -0.855 0.658 1.00 0.00 C ATOM 748 CD PRO A 50 13.799 -0.759 1.201 1.00 0.00 C ATOM 0 HA PRO A 50 11.876 0.199 3.673 1.00 0.00 H new ATOM 0 HB2 PRO A 50 11.047 -1.930 1.903 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.658 -0.232 1.708 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.306 -1.735 0.023 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.179 0.013 0.040 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.291 -1.731 1.216 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.420 -0.096 0.598 1.00 0.00 H new ATOM 756 N THR A 51 11.685 -1.681 5.113 1.00 0.00 N ATOM 757 CA THR A 51 11.653 -2.722 6.106 1.00 0.00 C ATOM 758 C THR A 51 10.213 -3.155 6.330 1.00 0.00 C ATOM 759 O THR A 51 9.283 -2.365 6.147 1.00 0.00 O ATOM 760 CB THR A 51 12.285 -2.243 7.434 1.00 0.00 C ATOM 761 OG1 THR A 51 12.499 -3.356 8.313 1.00 0.00 O ATOM 762 CG2 THR A 51 11.407 -1.208 8.124 1.00 0.00 C ATOM 0 H THR A 51 11.137 -0.856 5.355 1.00 0.00 H new ATOM 0 HA THR A 51 12.238 -3.569 5.748 1.00 0.00 H new ATOM 0 HB THR A 51 13.242 -1.778 7.197 1.00 0.00 H new ATOM 0 HG1 THR A 51 11.637 -3.676 8.652 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.879 -0.892 9.054 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.280 -0.345 7.470 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.433 -1.645 8.342 1.00 0.00 H new ATOM 770 N CYS A 52 10.027 -4.403 6.705 1.00 0.00 N ATOM 771 CA CYS A 52 8.710 -4.877 7.078 1.00 0.00 C ATOM 772 C CYS A 52 8.431 -4.433 8.509 1.00 0.00 C ATOM 773 O CYS A 52 9.301 -3.832 9.140 1.00 0.00 O ATOM 774 CB CYS A 52 8.651 -6.403 6.950 1.00 0.00 C ATOM 775 SG CYS A 52 7.041 -7.132 7.342 1.00 0.00 S ATOM 0 H CYS A 52 10.766 -5.104 6.760 1.00 0.00 H new ATOM 0 HA CYS A 52 7.950 -4.460 6.417 1.00 0.00 H new ATOM 0 HB2 CYS A 52 8.922 -6.679 5.931 1.00 0.00 H new ATOM 0 HB3 CYS A 52 9.402 -6.839 7.609 1.00 0.00 H new ATOM 0 HG CYS A 52 6.353 -7.278 6.249 1.00 0.00 H new ATOM 781 N ASP A 53 7.213 -4.686 8.991 1.00 0.00 N ATOM 782 CA ASP A 53 6.738 -4.194 10.297 1.00 0.00 C ATOM 783 C ASP A 53 6.302 -2.735 10.211 1.00 0.00 C ATOM 784 O ASP A 53 5.382 -2.310 10.907 1.00 0.00 O ATOM 785 CB ASP A 53 7.793 -4.342 11.406 1.00 0.00 C ATOM 786 CG ASP A 53 8.014 -5.778 11.826 1.00 0.00 C ATOM 787 OD1 ASP A 53 7.109 -6.365 12.455 1.00 0.00 O ATOM 788 OD2 ASP A 53 9.097 -6.329 11.531 1.00 0.00 O ATOM 0 H ASP A 53 6.520 -5.240 8.488 1.00 0.00 H new ATOM 0 HA ASP A 53 5.883 -4.817 10.559 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.737 -3.921 11.060 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.484 -3.759 12.274 1.00 0.00 H new ATOM 793 N ILE A 54 6.959 -1.972 9.350 1.00 0.00 N ATOM 794 CA ILE A 54 6.663 -0.555 9.198 1.00 0.00 C ATOM 795 C ILE A 54 6.089 -0.298 7.826 1.00 0.00 C ATOM 796 O ILE A 54 6.794 -0.406 6.820 1.00 0.00 O ATOM 797 CB ILE A 54 7.922 0.307 9.417 1.00 0.00 C ATOM 798 CG1 ILE A 54 8.519 -0.004 10.791 1.00 0.00 C ATOM 799 CG2 ILE A 54 7.585 1.789 9.297 1.00 0.00 C ATOM 800 CD1 ILE A 54 9.853 0.657 11.050 1.00 0.00 C ATOM 0 H ILE A 54 7.705 -2.313 8.743 1.00 0.00 H new ATOM 0 HA ILE A 54 5.931 -0.276 9.956 1.00 0.00 H new ATOM 0 HB ILE A 54 8.657 0.069 8.648 1.00 0.00 H new ATOM 0 HG12 ILE A 54 7.814 0.311 11.561 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.636 -1.083 10.888 1.00 0.00 H new ATOM 0 HG21 ILE A 54 8.486 2.381 9.455 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.187 1.992 8.303 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.840 2.055 10.047 1.00 0.00 H new ATOM 0 HD11 ILE A 54 10.207 0.386 12.045 1.00 0.00 H new ATOM 0 HD12 ILE A 54 10.575 0.324 10.305 1.00 0.00 H new ATOM 0 HD13 ILE A 54 9.741 1.739 10.988 1.00 0.00 H new ATOM 812 N ASN A 55 4.783 -0.016 7.797 1.00 0.00 N ATOM 813 CA ASN A 55 4.066 0.214 6.549 1.00 0.00 C ATOM 814 C ASN A 55 4.024 -1.077 5.745 1.00 0.00 C ATOM 815 O ASN A 55 3.686 -1.089 4.565 1.00 0.00 O ATOM 816 CB ASN A 55 4.756 1.330 5.761 1.00 0.00 C ATOM 817 CG ASN A 55 3.953 1.822 4.572 1.00 0.00 C ATOM 818 OD1 ASN A 55 2.725 1.861 4.598 1.00 0.00 O ATOM 819 ND2 ASN A 55 4.653 2.192 3.511 1.00 0.00 N ATOM 0 H ASN A 55 4.202 0.058 8.632 1.00 0.00 H new ATOM 0 HA ASN A 55 3.042 0.524 6.758 1.00 0.00 H new ATOM 0 HB2 ASN A 55 4.950 2.169 6.430 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.724 0.971 5.411 1.00 0.00 H new ATOM 0 HD21 ASN A 55 4.174 2.525 2.674 1.00 0.00 H new ATOM 0 HD22 ASN A 55 5.672 2.144 3.530 1.00 0.00 H new ATOM 826 N ASN A 56 4.375 -2.171 6.419 1.00 0.00 N ATOM 827 CA ASN A 56 4.514 -3.477 5.789 1.00 0.00 C ATOM 828 C ASN A 56 5.520 -3.385 4.634 1.00 0.00 C ATOM 829 O ASN A 56 5.432 -4.120 3.658 1.00 0.00 O ATOM 830 CB ASN A 56 3.149 -3.975 5.276 1.00 0.00 C ATOM 831 CG ASN A 56 3.029 -5.488 5.251 1.00 0.00 C ATOM 832 OD1 ASN A 56 3.552 -6.180 6.124 1.00 0.00 O ATOM 833 ND2 ASN A 56 2.343 -6.010 4.243 1.00 0.00 N ATOM 0 H ASN A 56 4.571 -2.174 7.420 1.00 0.00 H new ATOM 0 HA ASN A 56 4.881 -4.191 6.526 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.361 -3.566 5.908 1.00 0.00 H new ATOM 0 HB3 ASN A 56 2.984 -3.588 4.270 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.233 -7.021 4.171 1.00 0.00 H new ATOM 0 HD22 ASN A 56 1.925 -5.400 3.540 1.00 0.00 H new ATOM 840 N GLY A 57 6.474 -2.456 4.755 1.00 0.00 N ATOM 841 CA GLY A 57 7.443 -2.219 3.697 1.00 0.00 C ATOM 842 C GLY A 57 6.809 -1.582 2.475 1.00 0.00 C ATOM 843 O GLY A 57 7.380 -1.601 1.386 1.00 0.00 O ATOM 0 H GLY A 57 6.590 -1.861 5.575 1.00 0.00 H new ATOM 0 HA2 GLY A 57 8.237 -1.573 4.071 1.00 0.00 H new ATOM 0 HA3 GLY A 57 7.908 -3.163 3.413 1.00 0.00 H new ATOM 847 N GLY A 58 5.632 -1.010 2.665 1.00 0.00 N ATOM 848 CA GLY A 58 4.904 -0.410 1.572 1.00 0.00 C ATOM 849 C GLY A 58 3.834 -1.340 1.052 1.00 0.00 C ATOM 850 O GLY A 58 3.314 -1.156 -0.038 1.00 0.00 O ATOM 0 H GLY A 58 5.164 -0.951 3.569 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.449 0.523 1.904 1.00 0.00 H new ATOM 0 HA3 GLY A 58 5.594 -0.159 0.766 1.00 0.00 H new ATOM 854 N CYS A 59 3.505 -2.340 1.851 1.00 0.00 N ATOM 855 CA CYS A 59 2.566 -3.373 1.454 1.00 0.00 C ATOM 856 C CYS A 59 1.297 -3.328 2.301 1.00 0.00 C ATOM 857 O CYS A 59 1.165 -2.515 3.221 1.00 0.00 O ATOM 858 CB CYS A 59 3.225 -4.754 1.541 1.00 0.00 C ATOM 859 SG CYS A 59 4.661 -4.938 0.465 1.00 0.00 S ATOM 0 H CYS A 59 3.881 -2.458 2.792 1.00 0.00 H new ATOM 0 HA CYS A 59 2.279 -3.186 0.419 1.00 0.00 H new ATOM 0 HB2 CYS A 59 3.528 -4.939 2.572 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.489 -5.516 1.284 1.00 0.00 H new ATOM 0 HG CYS A 59 5.466 -3.933 0.641 1.00 0.00 H new ATOM 865 N ASP A 60 0.376 -4.218 1.980 1.00 0.00 N ATOM 866 CA ASP A 60 -0.903 -4.320 2.671 1.00 0.00 C ATOM 867 C ASP A 60 -0.823 -5.428 3.705 1.00 0.00 C ATOM 868 O ASP A 60 -0.191 -6.444 3.472 1.00 0.00 O ATOM 869 CB ASP A 60 -1.993 -4.670 1.650 1.00 0.00 C ATOM 870 CG ASP A 60 -3.350 -4.921 2.280 1.00 0.00 C ATOM 871 OD1 ASP A 60 -3.568 -6.024 2.808 1.00 0.00 O ATOM 872 OD2 ASP A 60 -4.206 -4.014 2.244 1.00 0.00 O ATOM 0 H ASP A 60 0.492 -4.897 1.228 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.137 -3.374 3.159 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.080 -3.857 0.929 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -1.689 -5.557 1.094 1.00 0.00 H new ATOM 877 N PRO A 61 -1.439 -5.208 4.883 1.00 0.00 N ATOM 878 CA PRO A 61 -1.411 -6.145 6.005 1.00 0.00 C ATOM 879 C PRO A 61 -1.775 -7.581 5.621 1.00 0.00 C ATOM 880 O PRO A 61 -1.310 -8.528 6.251 1.00 0.00 O ATOM 881 CB PRO A 61 -2.461 -5.588 6.975 1.00 0.00 C ATOM 882 CG PRO A 61 -3.138 -4.470 6.277 1.00 0.00 C ATOM 883 CD PRO A 61 -2.197 -4.002 5.225 1.00 0.00 C ATOM 0 HA PRO A 61 -0.405 -6.215 6.418 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.178 -6.360 7.254 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -1.992 -5.241 7.896 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.079 -4.800 5.837 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.375 -3.665 6.972 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.728 -3.603 4.361 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.546 -3.209 5.593 1.00 0.00 H new ATOM 891 N THR A 62 -2.617 -7.742 4.603 1.00 0.00 N ATOM 892 CA THR A 62 -2.980 -9.069 4.129 1.00 0.00 C ATOM 893 C THR A 62 -1.989 -9.537 3.071 1.00 0.00 C ATOM 894 O THR A 62 -1.817 -10.739 2.845 1.00 0.00 O ATOM 895 CB THR A 62 -4.415 -9.119 3.561 1.00 0.00 C ATOM 896 OG1 THR A 62 -4.511 -8.355 2.352 1.00 0.00 O ATOM 897 CG2 THR A 62 -5.411 -8.585 4.579 1.00 0.00 C ATOM 0 H THR A 62 -3.056 -6.974 4.095 1.00 0.00 H new ATOM 0 HA THR A 62 -2.946 -9.737 4.989 1.00 0.00 H new ATOM 0 HB THR A 62 -4.651 -10.160 3.341 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.857 -7.626 2.373 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.417 -8.628 4.161 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.368 -9.192 5.483 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.163 -7.552 4.823 1.00 0.00 H new ATOM 905 N ALA A 63 -1.336 -8.575 2.418 1.00 0.00 N ATOM 906 CA ALA A 63 -0.252 -8.872 1.513 1.00 0.00 C ATOM 907 C ALA A 63 0.999 -9.220 2.314 1.00 0.00 C ATOM 908 O ALA A 63 1.772 -8.335 2.675 1.00 0.00 O ATOM 909 CB ALA A 63 -0.001 -7.686 0.592 1.00 0.00 C ATOM 0 H ALA A 63 -1.549 -7.581 2.507 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.517 -9.729 0.893 1.00 0.00 H new ATOM 0 HB1 ALA A 63 0.819 -7.920 -0.087 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -0.902 -7.476 0.015 1.00 0.00 H new ATOM 0 HB3 ALA A 63 0.260 -6.811 1.188 1.00 0.00 H new ATOM 915 N SER A 64 1.178 -10.512 2.596 1.00 0.00 N ATOM 916 CA SER A 64 2.277 -10.985 3.441 1.00 0.00 C ATOM 917 C SER A 64 3.611 -10.432 2.946 1.00 0.00 C ATOM 918 O SER A 64 4.093 -10.802 1.874 1.00 0.00 O ATOM 919 CB SER A 64 2.310 -12.517 3.465 1.00 0.00 C ATOM 920 OG SER A 64 3.090 -13.001 4.551 1.00 0.00 O ATOM 0 H SER A 64 0.571 -11.255 2.249 1.00 0.00 H new ATOM 0 HA SER A 64 2.111 -10.624 4.456 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.294 -12.903 3.544 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.720 -12.889 2.526 1.00 0.00 H new ATOM 0 HG SER A 64 3.091 -13.981 4.542 1.00 0.00 H new ATOM 926 N CYS A 65 4.181 -9.525 3.731 1.00 0.00 N ATOM 927 CA CYS A 65 5.378 -8.808 3.335 1.00 0.00 C ATOM 928 C CYS A 65 6.659 -9.492 3.787 1.00 0.00 C ATOM 929 O CYS A 65 6.702 -10.182 4.809 1.00 0.00 O ATOM 930 CB CYS A 65 5.321 -7.381 3.869 1.00 0.00 C ATOM 931 SG CYS A 65 6.924 -6.571 4.055 1.00 0.00 S ATOM 0 H CYS A 65 3.826 -9.270 4.653 1.00 0.00 H new ATOM 0 HA CYS A 65 5.402 -8.798 2.245 1.00 0.00 H new ATOM 0 HB2 CYS A 65 4.704 -6.783 3.199 1.00 0.00 H new ATOM 0 HB3 CYS A 65 4.821 -7.391 4.838 1.00 0.00 H new ATOM 0 HG CYS A 65 6.802 -5.303 3.795 1.00 0.00 H new ATOM 937 N GLN A 66 7.696 -9.298 2.985 1.00 0.00 N ATOM 938 CA GLN A 66 9.036 -9.767 3.287 1.00 0.00 C ATOM 939 C GLN A 66 10.028 -8.637 3.026 1.00 0.00 C ATOM 940 O GLN A 66 10.062 -8.083 1.927 1.00 0.00 O ATOM 941 CB GLN A 66 9.393 -10.975 2.420 1.00 0.00 C ATOM 942 CG GLN A 66 8.285 -12.008 2.328 1.00 0.00 C ATOM 943 CD GLN A 66 8.779 -13.356 1.839 1.00 0.00 C ATOM 944 OE1 GLN A 66 8.217 -14.395 2.187 1.00 0.00 O ATOM 945 NE2 GLN A 66 9.829 -13.352 1.032 1.00 0.00 N ATOM 0 H GLN A 66 7.627 -8.804 2.095 1.00 0.00 H new ATOM 0 HA GLN A 66 9.080 -10.070 4.333 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.641 -10.630 1.416 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.287 -11.449 2.824 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.824 -12.129 3.308 1.00 0.00 H new ATOM 0 HG3 GLN A 66 7.510 -11.644 1.654 1.00 0.00 H new ATOM 0 HE21 GLN A 66 10.266 -12.469 0.768 1.00 0.00 H new ATOM 0 HE22 GLN A 66 10.201 -14.232 0.675 1.00 0.00 H new ATOM 954 N ASN A 67 10.810 -8.284 4.036 1.00 0.00 N ATOM 955 CA ASN A 67 11.791 -7.240 3.923 1.00 0.00 C ATOM 956 C ASN A 67 13.037 -7.723 3.193 1.00 0.00 C ATOM 957 O ASN A 67 13.480 -8.857 3.384 1.00 0.00 O ATOM 958 CB ASN A 67 12.161 -6.702 5.307 1.00 0.00 C ATOM 959 CG ASN A 67 12.157 -7.725 6.443 1.00 0.00 C ATOM 960 OD1 ASN A 67 11.381 -8.683 6.465 1.00 0.00 O ATOM 961 ND2 ASN A 67 13.031 -7.518 7.412 1.00 0.00 N ATOM 0 H ASN A 67 10.774 -8.722 4.957 1.00 0.00 H new ATOM 0 HA ASN A 67 11.351 -6.434 3.336 1.00 0.00 H new ATOM 0 HB2 ASN A 67 13.154 -6.256 5.249 1.00 0.00 H new ATOM 0 HB3 ASN A 67 11.467 -5.902 5.562 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.076 -8.159 8.204 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.661 -6.717 7.368 1.00 0.00 H new ATOM 968 N ALA A 68 13.600 -6.850 2.367 1.00 0.00 N ATOM 969 CA ALA A 68 14.755 -7.192 1.548 1.00 0.00 C ATOM 970 C ALA A 68 15.451 -5.934 1.051 1.00 0.00 C ATOM 971 O ALA A 68 14.888 -4.841 1.119 1.00 0.00 O ATOM 972 CB ALA A 68 14.323 -8.048 0.375 1.00 0.00 C ATOM 0 H ALA A 68 13.272 -5.892 2.247 1.00 0.00 H new ATOM 0 HA ALA A 68 15.459 -7.756 2.160 1.00 0.00 H new ATOM 0 HB1 ALA A 68 15.193 -8.299 -0.232 1.00 0.00 H new ATOM 0 HB2 ALA A 68 13.861 -8.964 0.744 1.00 0.00 H new ATOM 0 HB3 ALA A 68 13.604 -7.498 -0.232 1.00 0.00 H new ATOM 978 N GLU A 69 16.679 -6.088 0.570 1.00 0.00 N ATOM 979 CA GLU A 69 17.447 -4.957 0.066 1.00 0.00 C ATOM 980 C GLU A 69 17.769 -5.097 -1.427 1.00 0.00 C ATOM 981 O GLU A 69 17.971 -6.198 -1.935 1.00 0.00 O ATOM 982 CB GLU A 69 18.735 -4.811 0.870 1.00 0.00 C ATOM 983 CG GLU A 69 19.714 -5.959 0.694 1.00 0.00 C ATOM 984 CD GLU A 69 21.007 -5.727 1.440 1.00 0.00 C ATOM 985 OE1 GLU A 69 21.920 -5.094 0.872 1.00 0.00 O ATOM 986 OE2 GLU A 69 21.117 -6.166 2.605 1.00 0.00 O ATOM 0 H GLU A 69 17.163 -6.984 0.519 1.00 0.00 H new ATOM 0 HA GLU A 69 16.836 -4.062 0.182 1.00 0.00 H new ATOM 0 HB2 GLU A 69 19.227 -3.882 0.581 1.00 0.00 H new ATOM 0 HB3 GLU A 69 18.482 -4.723 1.927 1.00 0.00 H new ATOM 0 HG2 GLU A 69 19.255 -6.883 1.046 1.00 0.00 H new ATOM 0 HG3 GLU A 69 19.928 -6.093 -0.367 1.00 0.00 H new ATOM 993 N SER A 70 17.790 -3.957 -2.113 1.00 0.00 N ATOM 994 CA SER A 70 18.138 -3.872 -3.525 1.00 0.00 C ATOM 995 C SER A 70 18.472 -2.423 -3.855 1.00 0.00 C ATOM 996 O SER A 70 18.563 -1.585 -2.954 1.00 0.00 O ATOM 997 CB SER A 70 16.955 -4.319 -4.383 1.00 0.00 C ATOM 998 OG SER A 70 15.967 -3.326 -4.431 1.00 0.00 O ATOM 0 H SER A 70 17.562 -3.055 -1.696 1.00 0.00 H new ATOM 0 HA SER A 70 18.992 -4.518 -3.731 1.00 0.00 H new ATOM 0 HB2 SER A 70 17.298 -4.545 -5.393 1.00 0.00 H new ATOM 0 HB3 SER A 70 16.533 -5.238 -3.977 1.00 0.00 H new ATOM 0 HG SER A 70 15.232 -3.624 -5.007 1.00 0.00 H new ATOM 1004 N THR A 71 18.638 -2.117 -5.128 1.00 0.00 N ATOM 1005 CA THR A 71 18.717 -0.730 -5.552 1.00 0.00 C ATOM 1006 C THR A 71 17.312 -0.163 -5.730 1.00 0.00 C ATOM 1007 O THR A 71 17.085 1.042 -5.628 1.00 0.00 O ATOM 1008 CB THR A 71 19.500 -0.577 -6.869 1.00 0.00 C ATOM 1009 OG1 THR A 71 18.920 -1.408 -7.887 1.00 0.00 O ATOM 1010 CG2 THR A 71 20.959 -0.951 -6.674 1.00 0.00 C ATOM 0 H THR A 71 18.720 -2.801 -5.880 1.00 0.00 H new ATOM 0 HA THR A 71 19.249 -0.179 -4.777 1.00 0.00 H new ATOM 0 HB THR A 71 19.445 0.466 -7.179 1.00 0.00 H new ATOM 0 HG1 THR A 71 19.423 -1.303 -8.721 1.00 0.00 H new ATOM 0 HG21 THR A 71 21.493 -0.836 -7.617 1.00 0.00 H new ATOM 0 HG22 THR A 71 21.404 -0.299 -5.922 1.00 0.00 H new ATOM 0 HG23 THR A 71 21.028 -1.987 -6.342 1.00 0.00 H new ATOM 1018 N GLU A 72 16.367 -1.061 -5.965 1.00 0.00 N ATOM 1019 CA GLU A 72 14.993 -0.685 -6.236 1.00 0.00 C ATOM 1020 C GLU A 72 14.091 -1.044 -5.072 1.00 0.00 C ATOM 1021 O GLU A 72 13.701 -2.203 -4.921 1.00 0.00 O ATOM 1022 CB GLU A 72 14.482 -1.424 -7.444 1.00 0.00 C ATOM 1023 CG GLU A 72 15.318 -1.225 -8.680 1.00 0.00 C ATOM 1024 CD GLU A 72 15.473 0.225 -9.084 1.00 0.00 C ATOM 1025 OE1 GLU A 72 14.528 0.792 -9.665 1.00 0.00 O ATOM 1026 OE2 GLU A 72 16.556 0.797 -8.845 1.00 0.00 O ATOM 0 H GLU A 72 16.533 -2.067 -5.973 1.00 0.00 H new ATOM 0 HA GLU A 72 14.979 0.392 -6.402 1.00 0.00 H new ATOM 0 HB2 GLU A 72 14.438 -2.489 -7.215 1.00 0.00 H new ATOM 0 HB3 GLU A 72 13.462 -1.100 -7.651 1.00 0.00 H new ATOM 0 HG2 GLU A 72 16.306 -1.654 -8.512 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.867 -1.776 -9.505 1.00 0.00 H new ATOM 1033 N ASN A 73 13.726 -0.062 -4.278 1.00 0.00 N ATOM 1034 CA ASN A 73 12.866 -0.298 -3.124 1.00 0.00 C ATOM 1035 C ASN A 73 11.534 -0.919 -3.518 1.00 0.00 C ATOM 1036 O ASN A 73 10.886 -1.562 -2.694 1.00 0.00 O ATOM 1037 CB ASN A 73 12.629 0.996 -2.345 1.00 0.00 C ATOM 1038 CG ASN A 73 12.609 2.229 -3.228 1.00 0.00 C ATOM 1039 OD1 ASN A 73 12.150 2.190 -4.368 1.00 0.00 O ATOM 1040 ND2 ASN A 73 13.130 3.326 -2.706 1.00 0.00 N ATOM 0 H ASN A 73 14.008 0.910 -4.404 1.00 0.00 H new ATOM 0 HA ASN A 73 13.388 -1.009 -2.484 1.00 0.00 H new ATOM 0 HB2 ASN A 73 11.681 0.923 -1.812 1.00 0.00 H new ATOM 0 HB3 ASN A 73 13.410 1.108 -1.593 1.00 0.00 H new ATOM 0 HD21 ASN A 73 13.162 4.186 -3.254 1.00 0.00 H new ATOM 0 HD22 ASN A 73 13.500 3.313 -1.755 1.00 0.00 H new ATOM 1047 N SER A 74 11.152 -0.780 -4.779 1.00 0.00 N ATOM 1048 CA SER A 74 9.835 -1.220 -5.206 1.00 0.00 C ATOM 1049 C SER A 74 9.811 -2.709 -5.532 1.00 0.00 C ATOM 1050 O SER A 74 8.746 -3.288 -5.745 1.00 0.00 O ATOM 1051 CB SER A 74 9.371 -0.397 -6.403 1.00 0.00 C ATOM 1052 OG SER A 74 9.379 0.985 -6.088 1.00 0.00 O ATOM 0 H SER A 74 11.728 -0.371 -5.515 1.00 0.00 H new ATOM 0 HA SER A 74 9.145 -1.062 -4.377 1.00 0.00 H new ATOM 0 HB2 SER A 74 10.023 -0.585 -7.256 1.00 0.00 H new ATOM 0 HB3 SER A 74 8.367 -0.704 -6.695 1.00 0.00 H new ATOM 0 HG SER A 74 9.080 1.500 -6.867 1.00 0.00 H new ATOM 1058 N LYS A 75 10.979 -3.328 -5.568 1.00 0.00 N ATOM 1059 CA LYS A 75 11.056 -4.762 -5.792 1.00 0.00 C ATOM 1060 C LYS A 75 11.845 -5.447 -4.690 1.00 0.00 C ATOM 1061 O LYS A 75 12.272 -6.592 -4.835 1.00 0.00 O ATOM 1062 CB LYS A 75 11.637 -5.067 -7.164 1.00 0.00 C ATOM 1063 CG LYS A 75 12.875 -4.273 -7.454 1.00 0.00 C ATOM 1064 CD LYS A 75 13.338 -4.448 -8.891 1.00 0.00 C ATOM 1065 CE LYS A 75 13.842 -5.855 -9.167 1.00 0.00 C ATOM 1066 NZ LYS A 75 15.032 -6.198 -8.344 1.00 0.00 N ATOM 0 H LYS A 75 11.880 -2.865 -5.446 1.00 0.00 H new ATOM 0 HA LYS A 75 10.042 -5.162 -5.765 1.00 0.00 H new ATOM 0 HB2 LYS A 75 11.868 -6.130 -7.229 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.888 -4.857 -7.927 1.00 0.00 H new ATOM 0 HG2 LYS A 75 12.683 -3.218 -7.261 1.00 0.00 H new ATOM 0 HG3 LYS A 75 13.671 -4.581 -6.776 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.513 -4.221 -9.566 1.00 0.00 H new ATOM 0 HD3 LYS A 75 14.131 -3.732 -9.105 1.00 0.00 H new ATOM 0 HE2 LYS A 75 13.045 -6.570 -8.965 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.094 -5.948 -10.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 15.491 -7.046 -8.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 15.703 -5.404 -8.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.735 -6.385 -7.365 1.00 0.00 H new ATOM 1080 N LYS A 76 12.042 -4.737 -3.581 1.00 0.00 N ATOM 1081 CA LYS A 76 12.677 -5.325 -2.408 1.00 0.00 C ATOM 1082 C LYS A 76 11.643 -6.045 -1.585 1.00 0.00 C ATOM 1083 O LYS A 76 11.781 -7.223 -1.278 1.00 0.00 O ATOM 1084 CB LYS A 76 13.320 -4.268 -1.518 1.00 0.00 C ATOM 1085 CG LYS A 76 14.446 -3.530 -2.170 1.00 0.00 C ATOM 1086 CD LYS A 76 15.132 -2.601 -1.202 1.00 0.00 C ATOM 1087 CE LYS A 76 15.684 -1.387 -1.915 1.00 0.00 C ATOM 1088 NZ LYS A 76 16.543 -0.551 -1.039 1.00 0.00 N ATOM 0 H LYS A 76 11.772 -3.759 -3.472 1.00 0.00 H new ATOM 0 HA LYS A 76 13.449 -6.006 -2.767 1.00 0.00 H new ATOM 0 HB2 LYS A 76 12.557 -3.551 -1.213 1.00 0.00 H new ATOM 0 HB3 LYS A 76 13.689 -4.747 -0.611 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.169 -4.243 -2.566 1.00 0.00 H new ATOM 0 HG3 LYS A 76 14.066 -2.959 -3.017 1.00 0.00 H new ATOM 0 HD2 LYS A 76 14.427 -2.286 -0.433 1.00 0.00 H new ATOM 0 HD3 LYS A 76 15.940 -3.129 -0.696 1.00 0.00 H new ATOM 0 HE2 LYS A 76 16.261 -1.710 -2.781 1.00 0.00 H new ATOM 0 HE3 LYS A 76 14.857 -0.783 -2.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 16.343 0.454 -1.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 16.345 -0.775 -0.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 17.543 -0.746 -1.246 1.00 0.00 H new ATOM 1102 N ILE A 77 10.610 -5.309 -1.226 1.00 0.00 N ATOM 1103 CA ILE A 77 9.575 -5.833 -0.374 1.00 0.00 C ATOM 1104 C ILE A 77 8.624 -6.702 -1.175 1.00 0.00 C ATOM 1105 O ILE A 77 8.257 -6.378 -2.306 1.00 0.00 O ATOM 1106 CB ILE A 77 8.790 -4.706 0.321 1.00 0.00 C ATOM 1107 CG1 ILE A 77 9.742 -3.756 1.044 1.00 0.00 C ATOM 1108 CG2 ILE A 77 7.791 -5.270 1.305 1.00 0.00 C ATOM 1109 CD1 ILE A 77 10.554 -4.433 2.128 1.00 0.00 C ATOM 0 H ILE A 77 10.470 -4.341 -1.516 1.00 0.00 H new ATOM 0 HA ILE A 77 10.056 -6.436 0.396 1.00 0.00 H new ATOM 0 HB ILE A 77 8.250 -4.154 -0.448 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.420 -3.309 0.317 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.167 -2.942 1.485 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.250 -4.453 1.782 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.086 -5.914 0.779 1.00 0.00 H new ATOM 0 HG23 ILE A 77 8.316 -5.850 2.064 1.00 0.00 H new ATOM 0 HD11 ILE A 77 11.209 -3.702 2.602 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.882 -4.856 2.875 1.00 0.00 H new ATOM 0 HD13 ILE A 77 11.155 -5.229 1.689 1.00 0.00 H new ATOM 1121 N ILE A 78 8.244 -7.804 -0.575 1.00 0.00 N ATOM 1122 CA ILE A 78 7.359 -8.773 -1.210 1.00 0.00 C ATOM 1123 C ILE A 78 5.971 -8.679 -0.605 1.00 0.00 C ATOM 1124 O ILE A 78 5.823 -8.768 0.603 1.00 0.00 O ATOM 1125 CB ILE A 78 7.894 -10.223 -1.073 1.00 0.00 C ATOM 1126 CG1 ILE A 78 9.044 -10.471 -2.052 1.00 0.00 C ATOM 1127 CG2 ILE A 78 6.791 -11.249 -1.291 1.00 0.00 C ATOM 1128 CD1 ILE A 78 10.370 -9.910 -1.596 1.00 0.00 C ATOM 0 H ILE A 78 8.535 -8.062 0.368 1.00 0.00 H new ATOM 0 HA ILE A 78 7.316 -8.534 -2.273 1.00 0.00 H new ATOM 0 HB ILE A 78 8.266 -10.338 -0.055 1.00 0.00 H new ATOM 0 HG12 ILE A 78 9.150 -11.545 -2.208 1.00 0.00 H new ATOM 0 HG13 ILE A 78 8.788 -10.032 -3.016 1.00 0.00 H new ATOM 0 HG21 ILE A 78 7.202 -12.253 -1.187 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.005 -11.101 -0.551 1.00 0.00 H new ATOM 0 HG23 ILE A 78 6.375 -11.129 -2.291 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.133 -10.127 -2.343 1.00 0.00 H new ATOM 0 HD12 ILE A 78 10.284 -8.831 -1.468 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.651 -10.367 -0.647 1.00 0.00 H new ATOM 1140 N CYS A 79 4.968 -8.468 -1.438 1.00 0.00 N ATOM 1141 CA CYS A 79 3.596 -8.425 -0.974 1.00 0.00 C ATOM 1142 C CYS A 79 2.771 -9.514 -1.629 1.00 0.00 C ATOM 1143 O CYS A 79 2.898 -9.776 -2.825 1.00 0.00 O ATOM 1144 CB CYS A 79 2.995 -7.061 -1.263 1.00 0.00 C ATOM 1145 SG CYS A 79 3.623 -6.303 -2.774 1.00 0.00 S ATOM 0 H CYS A 79 5.080 -8.324 -2.442 1.00 0.00 H new ATOM 0 HA CYS A 79 3.589 -8.596 0.102 1.00 0.00 H new ATOM 0 HB2 CYS A 79 1.912 -7.159 -1.338 1.00 0.00 H new ATOM 0 HB3 CYS A 79 3.198 -6.398 -0.422 1.00 0.00 H new ATOM 0 HG CYS A 79 2.893 -6.676 -3.783 1.00 0.00 H new ATOM 1151 N THR A 80 1.944 -10.166 -0.837 1.00 0.00 N ATOM 1152 CA THR A 80 1.121 -11.245 -1.336 1.00 0.00 C ATOM 1153 C THR A 80 -0.312 -11.187 -0.807 1.00 0.00 C ATOM 1154 O THR A 80 -0.575 -11.521 0.353 1.00 0.00 O ATOM 1155 CB THR A 80 1.734 -12.607 -0.984 1.00 0.00 C ATOM 1156 OG1 THR A 80 2.915 -12.831 -1.766 1.00 0.00 O ATOM 1157 CG2 THR A 80 0.721 -13.707 -1.219 1.00 0.00 C ATOM 0 H THR A 80 1.825 -9.966 0.156 1.00 0.00 H new ATOM 0 HA THR A 80 1.084 -11.123 -2.419 1.00 0.00 H new ATOM 0 HB THR A 80 2.012 -12.612 0.070 1.00 0.00 H new ATOM 0 HG1 THR A 80 3.301 -13.702 -1.534 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.165 -14.670 -0.967 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.154 -13.535 -0.593 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.422 -13.709 -2.267 1.00 0.00 H new ATOM 1165 N CYS A 81 -1.230 -10.768 -1.661 1.00 0.00 N ATOM 1166 CA CYS A 81 -2.646 -10.898 -1.373 1.00 0.00 C ATOM 1167 C CYS A 81 -3.124 -12.236 -1.922 1.00 0.00 C ATOM 1168 O CYS A 81 -2.570 -12.743 -2.900 1.00 0.00 O ATOM 1169 CB CYS A 81 -3.431 -9.732 -1.972 1.00 0.00 C ATOM 1170 SG CYS A 81 -3.065 -8.138 -1.199 1.00 0.00 S ATOM 0 H CYS A 81 -1.019 -10.335 -2.560 1.00 0.00 H new ATOM 0 HA CYS A 81 -2.814 -10.869 -0.296 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -3.213 -9.668 -3.038 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -4.497 -9.936 -1.877 1.00 0.00 H new ATOM 0 HG CYS A 81 -2.229 -7.477 -1.943 1.00 0.00 H new ATOM 1176 N LYS A 82 -4.130 -12.809 -1.292 1.00 0.00 N ATOM 1177 CA LYS A 82 -4.474 -14.198 -1.521 1.00 0.00 C ATOM 1178 C LYS A 82 -5.939 -14.379 -1.901 1.00 0.00 C ATOM 1179 O LYS A 82 -6.652 -13.410 -2.158 1.00 0.00 O ATOM 1180 CB LYS A 82 -4.119 -15.005 -0.284 1.00 0.00 C ATOM 1181 CG LYS A 82 -2.619 -15.182 -0.124 1.00 0.00 C ATOM 1182 CD LYS A 82 -2.279 -15.907 1.156 1.00 0.00 C ATOM 1183 CE LYS A 82 -2.614 -15.066 2.373 1.00 0.00 C ATOM 1184 NZ LYS A 82 -1.718 -13.883 2.494 1.00 0.00 N ATOM 0 H LYS A 82 -4.726 -12.332 -0.615 1.00 0.00 H new ATOM 0 HA LYS A 82 -3.897 -14.561 -2.372 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -4.521 -14.508 0.599 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -4.594 -15.984 -0.343 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.225 -15.739 -0.974 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -2.134 -14.206 -0.130 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -2.827 -16.848 1.200 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -1.218 -16.156 1.164 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.650 -14.732 2.310 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -2.531 -15.678 3.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -1.202 -13.929 3.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -1.039 -13.880 1.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -2.286 -13.013 2.464 1.00 0.00 H new ATOM 1198 N GLU A 83 -6.363 -15.628 -1.981 1.00 0.00 N ATOM 1199 CA GLU A 83 -7.728 -15.971 -2.381 1.00 0.00 C ATOM 1200 C GLU A 83 -8.796 -15.220 -1.572 1.00 0.00 C ATOM 1201 O GLU A 83 -9.707 -14.643 -2.164 1.00 0.00 O ATOM 1202 CB GLU A 83 -7.944 -17.484 -2.272 1.00 0.00 C ATOM 1203 CG GLU A 83 -9.279 -17.963 -2.820 1.00 0.00 C ATOM 1204 CD GLU A 83 -9.453 -17.649 -4.290 1.00 0.00 C ATOM 1205 OE1 GLU A 83 -8.595 -18.068 -5.096 1.00 0.00 O ATOM 1206 OE2 GLU A 83 -10.446 -16.979 -4.647 1.00 0.00 O ATOM 0 H GLU A 83 -5.777 -16.436 -1.772 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.843 -15.657 -3.418 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -7.141 -17.994 -2.805 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.868 -17.776 -1.225 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.364 -19.039 -2.670 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.087 -17.498 -2.255 1.00 0.00 H new ATOM 1213 N PRO A 84 -8.718 -15.188 -0.225 1.00 0.00 N ATOM 1214 CA PRO A 84 -9.734 -14.514 0.594 1.00 0.00 C ATOM 1215 C PRO A 84 -9.746 -12.997 0.415 1.00 0.00 C ATOM 1216 O PRO A 84 -10.516 -12.297 1.073 1.00 0.00 O ATOM 1217 CB PRO A 84 -9.325 -14.856 2.027 1.00 0.00 C ATOM 1218 CG PRO A 84 -7.871 -15.136 1.942 1.00 0.00 C ATOM 1219 CD PRO A 84 -7.673 -15.803 0.617 1.00 0.00 C ATOM 0 HA PRO A 84 -10.736 -14.841 0.318 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -9.531 -14.029 2.706 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -9.874 -15.720 2.401 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -7.289 -14.217 2.010 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.546 -15.780 2.759 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -6.675 -15.621 0.219 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.796 -16.884 0.687 1.00 0.00 H new ATOM 1227 N THR A 85 -8.916 -12.485 -0.484 1.00 0.00 N ATOM 1228 CA THR A 85 -8.797 -11.049 -0.648 1.00 0.00 C ATOM 1229 C THR A 85 -9.147 -10.620 -2.079 1.00 0.00 C ATOM 1230 O THR A 85 -8.437 -10.946 -3.029 1.00 0.00 O ATOM 1231 CB THR A 85 -7.388 -10.540 -0.237 1.00 0.00 C ATOM 1232 OG1 THR A 85 -6.364 -11.185 -0.993 1.00 0.00 O ATOM 1233 CG2 THR A 85 -7.138 -10.785 1.246 1.00 0.00 C ATOM 0 H THR A 85 -8.323 -13.038 -1.103 1.00 0.00 H new ATOM 0 HA THR A 85 -9.519 -10.585 0.024 1.00 0.00 H new ATOM 0 HB THR A 85 -7.359 -9.470 -0.441 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.770 -11.819 -1.620 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.146 -10.421 1.513 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.888 -10.256 1.834 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.201 -11.853 1.454 1.00 0.00 H new ATOM 1241 N PRO A 86 -10.290 -9.916 -2.227 1.00 0.00 N ATOM 1242 CA PRO A 86 -10.800 -9.383 -3.503 1.00 0.00 C ATOM 1243 C PRO A 86 -9.761 -8.704 -4.412 1.00 0.00 C ATOM 1244 O PRO A 86 -9.963 -8.652 -5.623 1.00 0.00 O ATOM 1245 CB PRO A 86 -11.872 -8.381 -3.007 1.00 0.00 C ATOM 1246 CG PRO A 86 -12.442 -9.098 -1.851 1.00 0.00 C ATOM 1247 CD PRO A 86 -11.233 -9.609 -1.133 1.00 0.00 C ATOM 0 HA PRO A 86 -11.161 -10.179 -4.155 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -11.436 -7.424 -2.720 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -12.622 -8.174 -3.770 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -13.035 -8.436 -1.220 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -13.097 -9.911 -2.165 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -10.827 -8.864 -0.449 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -11.462 -10.494 -0.540 1.00 0.00 H new ATOM 1255 N ASN A 87 -8.654 -8.204 -3.866 1.00 0.00 N ATOM 1256 CA ASN A 87 -7.743 -7.390 -4.660 1.00 0.00 C ATOM 1257 C ASN A 87 -6.357 -7.248 -4.041 1.00 0.00 C ATOM 1258 O ASN A 87 -6.150 -7.570 -2.876 1.00 0.00 O ATOM 1259 CB ASN A 87 -8.398 -6.040 -4.793 1.00 0.00 C ATOM 1260 CG ASN A 87 -7.515 -4.907 -5.299 1.00 0.00 C ATOM 1261 OD1 ASN A 87 -6.725 -4.342 -4.549 1.00 0.00 O ATOM 1262 ND2 ASN A 87 -7.706 -4.506 -6.536 1.00 0.00 N ATOM 0 H ASN A 87 -8.372 -8.345 -2.896 1.00 0.00 H new ATOM 0 HA ASN A 87 -7.574 -7.871 -5.623 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -9.249 -6.138 -5.467 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -8.795 -5.755 -3.819 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -7.190 -3.704 -6.897 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -8.370 -4.997 -7.135 1.00 0.00 H new ATOM 1269 N ALA A 88 -5.419 -6.788 -4.865 1.00 0.00 N ATOM 1270 CA ALA A 88 -4.132 -6.277 -4.408 1.00 0.00 C ATOM 1271 C ALA A 88 -3.778 -5.041 -5.224 1.00 0.00 C ATOM 1272 O ALA A 88 -3.445 -5.141 -6.405 1.00 0.00 O ATOM 1273 CB ALA A 88 -3.032 -7.322 -4.529 1.00 0.00 C ATOM 0 H ALA A 88 -5.533 -6.760 -5.878 1.00 0.00 H new ATOM 0 HA ALA A 88 -4.215 -6.021 -3.352 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -2.090 -6.901 -4.178 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.288 -8.192 -3.924 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -2.929 -7.623 -5.572 1.00 0.00 H new ATOM 1279 N TYR A 89 -3.874 -3.877 -4.601 1.00 0.00 N ATOM 1280 CA TYR A 89 -3.609 -2.619 -5.280 1.00 0.00 C ATOM 1281 C TYR A 89 -2.135 -2.308 -5.227 1.00 0.00 C ATOM 1282 O TYR A 89 -1.493 -2.541 -4.202 1.00 0.00 O ATOM 1283 CB TYR A 89 -4.362 -1.471 -4.618 1.00 0.00 C ATOM 1284 CG TYR A 89 -5.413 -0.828 -5.476 1.00 0.00 C ATOM 1285 CD1 TYR A 89 -5.081 0.073 -6.482 1.00 0.00 C ATOM 1286 CD2 TYR A 89 -6.742 -1.089 -5.247 1.00 0.00 C ATOM 1287 CE1 TYR A 89 -6.061 0.685 -7.242 1.00 0.00 C ATOM 1288 CE2 TYR A 89 -7.725 -0.480 -5.986 1.00 0.00 C ATOM 1289 CZ TYR A 89 -7.387 0.405 -6.987 1.00 0.00 C ATOM 1290 OH TYR A 89 -8.379 1.016 -7.723 1.00 0.00 O ATOM 0 H TYR A 89 -4.135 -3.778 -3.620 1.00 0.00 H new ATOM 0 HA TYR A 89 -3.942 -2.723 -6.313 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -4.833 -1.842 -3.708 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.643 -0.709 -4.317 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -4.042 0.298 -6.673 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.019 -1.787 -4.471 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -5.791 1.375 -8.027 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -8.764 -0.694 -5.783 1.00 0.00 H new ATOM 0 HH TYR A 89 -9.255 0.705 -7.413 1.00 0.00 H new ATOM 1300 N TYR A 90 -1.607 -1.776 -6.321 1.00 0.00 N ATOM 1301 CA TYR A 90 -0.214 -1.370 -6.374 1.00 0.00 C ATOM 1302 C TYR A 90 0.685 -2.520 -5.959 1.00 0.00 C ATOM 1303 O TYR A 90 1.510 -2.393 -5.063 1.00 0.00 O ATOM 1304 CB TYR A 90 0.004 -0.114 -5.512 1.00 0.00 C ATOM 1305 CG TYR A 90 -0.563 1.130 -6.163 1.00 0.00 C ATOM 1306 CD1 TYR A 90 0.174 1.832 -7.110 1.00 0.00 C ATOM 1307 CD2 TYR A 90 -1.836 1.589 -5.854 1.00 0.00 C ATOM 1308 CE1 TYR A 90 -0.338 2.957 -7.726 1.00 0.00 C ATOM 1309 CE2 TYR A 90 -2.359 2.712 -6.470 1.00 0.00 C ATOM 1310 CZ TYR A 90 -1.606 3.393 -7.404 1.00 0.00 C ATOM 1311 OH TYR A 90 -2.126 4.511 -8.022 1.00 0.00 O ATOM 0 H TYR A 90 -2.126 -1.616 -7.184 1.00 0.00 H new ATOM 0 HA TYR A 90 0.051 -1.109 -7.399 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.464 -0.258 -4.538 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.071 0.024 -5.336 1.00 0.00 H new ATOM 0 HD1 TYR A 90 1.166 1.491 -7.369 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.428 1.061 -5.121 1.00 0.00 H new ATOM 0 HE1 TYR A 90 0.251 3.492 -8.456 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -3.353 3.054 -6.221 1.00 0.00 H new ATOM 0 HH TYR A 90 -3.029 4.682 -7.683 1.00 0.00 H new ATOM 1321 N GLU A 91 0.477 -3.659 -6.624 1.00 0.00 N ATOM 1322 CA GLU A 91 1.315 -4.844 -6.471 1.00 0.00 C ATOM 1323 C GLU A 91 1.116 -5.537 -5.126 1.00 0.00 C ATOM 1324 O GLU A 91 1.626 -6.636 -4.909 1.00 0.00 O ATOM 1325 CB GLU A 91 2.776 -4.460 -6.640 1.00 0.00 C ATOM 1326 CG GLU A 91 3.024 -3.526 -7.804 1.00 0.00 C ATOM 1327 CD GLU A 91 3.051 -4.242 -9.133 1.00 0.00 C ATOM 1328 OE1 GLU A 91 3.894 -5.147 -9.309 1.00 0.00 O ATOM 1329 OE2 GLU A 91 2.240 -3.891 -10.016 1.00 0.00 O ATOM 0 H GLU A 91 -0.286 -3.783 -7.289 1.00 0.00 H new ATOM 0 HA GLU A 91 1.017 -5.553 -7.244 1.00 0.00 H new ATOM 0 HB2 GLU A 91 3.127 -3.986 -5.723 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.368 -5.365 -6.778 1.00 0.00 H new ATOM 0 HG2 GLU A 91 2.246 -2.763 -7.823 1.00 0.00 H new ATOM 0 HG3 GLU A 91 3.973 -3.011 -7.655 1.00 0.00 H new ATOM 1336 N GLY A 92 0.367 -4.915 -4.236 1.00 0.00 N ATOM 1337 CA GLY A 92 0.225 -5.458 -2.901 1.00 0.00 C ATOM 1338 C GLY A 92 0.349 -4.407 -1.819 1.00 0.00 C ATOM 1339 O GLY A 92 0.590 -4.744 -0.663 1.00 0.00 O ATOM 0 H GLY A 92 -0.144 -4.049 -4.409 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.745 -5.947 -2.815 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.984 -6.225 -2.744 1.00 0.00 H new ATOM 1343 N VAL A 93 0.201 -3.134 -2.181 1.00 0.00 N ATOM 1344 CA VAL A 93 0.227 -2.064 -1.193 1.00 0.00 C ATOM 1345 C VAL A 93 -1.100 -2.035 -0.441 1.00 0.00 C ATOM 1346 O VAL A 93 -1.172 -1.633 0.721 1.00 0.00 O ATOM 1347 CB VAL A 93 0.502 -0.684 -1.837 1.00 0.00 C ATOM 1348 CG1 VAL A 93 0.634 0.405 -0.780 1.00 0.00 C ATOM 1349 CG2 VAL A 93 1.755 -0.738 -2.693 1.00 0.00 C ATOM 0 H VAL A 93 0.063 -2.823 -3.143 1.00 0.00 H new ATOM 0 HA VAL A 93 1.044 -2.267 -0.501 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.350 -0.437 -2.471 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.827 1.362 -1.265 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.290 0.469 -0.206 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.460 0.165 -0.111 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.934 0.241 -3.138 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.607 -1.016 -2.073 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.624 -1.478 -3.483 1.00 0.00 H new ATOM 1359 N PHE A 94 -2.157 -2.468 -1.121 1.00 0.00 N ATOM 1360 CA PHE A 94 -3.480 -2.575 -0.497 1.00 0.00 C ATOM 1361 C PHE A 94 -4.234 -3.742 -1.069 1.00 0.00 C ATOM 1362 O PHE A 94 -3.727 -4.476 -1.915 1.00 0.00 O ATOM 1363 CB PHE A 94 -4.358 -1.335 -0.756 1.00 0.00 C ATOM 1364 CG PHE A 94 -3.624 -0.048 -0.833 1.00 0.00 C ATOM 1365 CD1 PHE A 94 -2.918 0.257 -1.973 1.00 0.00 C ATOM 1366 CD2 PHE A 94 -3.635 0.847 0.215 1.00 0.00 C ATOM 1367 CE1 PHE A 94 -2.225 1.427 -2.073 1.00 0.00 C ATOM 1368 CE2 PHE A 94 -2.947 2.029 0.118 1.00 0.00 C ATOM 1369 CZ PHE A 94 -2.238 2.318 -1.023 1.00 0.00 C ATOM 0 H PHE A 94 -2.128 -2.751 -2.101 1.00 0.00 H new ATOM 0 HA PHE A 94 -3.294 -2.686 0.571 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -4.901 -1.482 -1.690 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -5.102 -1.264 0.037 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -2.912 -0.439 -2.799 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -4.187 0.617 1.114 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -1.669 1.654 -2.971 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -2.962 2.732 0.938 1.00 0.00 H new ATOM 0 HZ PHE A 94 -1.690 3.246 -1.097 1.00 0.00 H new ATOM 1379 N CYS A 95 -5.462 -3.882 -0.610 1.00 0.00 N ATOM 1380 CA CYS A 95 -6.377 -4.818 -1.184 1.00 0.00 C ATOM 1381 C CYS A 95 -7.784 -4.208 -1.246 1.00 0.00 C ATOM 1382 O CYS A 95 -8.388 -3.910 -0.230 1.00 0.00 O ATOM 1383 CB CYS A 95 -6.342 -6.091 -0.354 1.00 0.00 C ATOM 1384 SG CYS A 95 -6.514 -5.831 1.428 1.00 0.00 S ATOM 0 H CYS A 95 -5.842 -3.346 0.170 1.00 0.00 H new ATOM 0 HA CYS A 95 -6.091 -5.060 -2.207 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -7.141 -6.751 -0.691 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -5.401 -6.607 -0.544 1.00 0.00 H new ATOM 0 HG CYS A 95 -5.791 -6.703 2.066 1.00 0.00 H new ATOM 1390 N SER A 96 -8.302 -4.117 -2.460 1.00 0.00 N ATOM 1391 CA SER A 96 -9.548 -3.403 -2.797 1.00 0.00 C ATOM 1392 C SER A 96 -10.663 -4.315 -3.340 1.00 0.00 C ATOM 1393 O SER A 96 -10.557 -5.533 -3.343 1.00 0.00 O ATOM 1394 CB SER A 96 -9.255 -2.331 -3.825 1.00 0.00 C ATOM 1395 OG SER A 96 -9.104 -1.062 -3.212 1.00 0.00 O ATOM 0 H SER A 96 -7.861 -4.548 -3.273 1.00 0.00 H new ATOM 0 HA SER A 96 -9.913 -2.975 -1.863 1.00 0.00 H new ATOM 0 HB2 SER A 96 -8.346 -2.585 -4.370 1.00 0.00 H new ATOM 0 HB3 SER A 96 -10.064 -2.292 -4.554 1.00 0.00 H new ATOM 0 HG SER A 96 -8.438 -0.538 -3.704 1.00 0.00 H new ATOM 1401 N SER A 97 -11.791 -3.715 -3.683 1.00 0.00 N ATOM 1402 CA SER A 97 -12.901 -4.453 -4.267 1.00 0.00 C ATOM 1403 C SER A 97 -12.579 -4.900 -5.691 1.00 0.00 C ATOM 1404 O SER A 97 -13.055 -4.298 -6.652 1.00 0.00 O ATOM 1405 CB SER A 97 -14.140 -3.580 -4.277 1.00 0.00 C ATOM 1406 OG SER A 97 -13.891 -2.376 -4.981 1.00 0.00 O ATOM 0 H SER A 97 -11.963 -2.716 -3.567 1.00 0.00 H new ATOM 0 HA SER A 97 -13.077 -5.342 -3.662 1.00 0.00 H new ATOM 0 HB2 SER A 97 -14.967 -4.117 -4.743 1.00 0.00 H new ATOM 0 HB3 SER A 97 -14.442 -3.355 -3.254 1.00 0.00 H new ATOM 0 HG SER A 97 -13.465 -2.581 -5.839 1.00 0.00 H new ATOM 1412 N SER A 98 -11.754 -5.940 -5.791 1.00 0.00 N ATOM 1413 CA SER A 98 -11.369 -6.580 -7.057 1.00 0.00 C ATOM 1414 C SER A 98 -10.612 -5.636 -7.995 1.00 0.00 C ATOM 1415 O SER A 98 -10.934 -4.457 -8.125 1.00 0.00 O ATOM 1416 CB SER A 98 -12.575 -7.228 -7.763 1.00 0.00 C ATOM 1417 OG SER A 98 -13.596 -6.293 -8.063 1.00 0.00 O ATOM 0 H SER A 98 -11.321 -6.375 -4.976 1.00 0.00 H new ATOM 0 HA SER A 98 -10.674 -7.377 -6.792 1.00 0.00 H new ATOM 0 HB2 SER A 98 -12.240 -7.703 -8.685 1.00 0.00 H new ATOM 0 HB3 SER A 98 -12.983 -8.015 -7.129 1.00 0.00 H new ATOM 0 HG SER A 98 -13.271 -5.386 -7.887 1.00 0.00 H new ATOM 1423 N SER A 99 -9.573 -6.165 -8.619 1.00 0.00 N ATOM 1424 CA SER A 99 -8.794 -5.405 -9.579 1.00 0.00 C ATOM 1425 C SER A 99 -9.608 -5.176 -10.844 1.00 0.00 C ATOM 1426 O SER A 99 -9.853 -4.004 -11.186 1.00 0.00 O ATOM 1427 CB SER A 99 -7.495 -6.139 -9.900 1.00 0.00 C ATOM 1428 OG SER A 99 -6.771 -6.418 -8.712 1.00 0.00 O ATOM 1429 OXT SER A 99 -10.051 -6.171 -11.453 1.00 0.00 O ATOM 0 H SER A 99 -9.249 -7.122 -8.476 1.00 0.00 H new ATOM 0 HA SER A 99 -8.544 -4.436 -9.148 1.00 0.00 H new ATOM 0 HB2 SER A 99 -7.717 -7.069 -10.424 1.00 0.00 H new ATOM 0 HB3 SER A 99 -6.885 -5.533 -10.570 1.00 0.00 H new ATOM 0 HG SER A 99 -5.942 -6.890 -8.937 1.00 0.00 H new TER 1435 SER A 99