USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 811 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 71 ASN :FLIP amide:sc= -1.25! F(o=-9.7,f=-5.1!) USER MOD Set 1.2: A 86 THR OG1 : rot -26:sc= -3.9! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -57:sc= 1.16 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -2.09 K(o=-2.1,f=-5.3!) USER MOD Single : A 20 ASN : amide:sc= -3.59! C(o=-3.6!,f=-3.4!) USER MOD Single : A 21 SER OG : rot -147:sc= -1.15 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -106:sc= 0.135 USER MOD Single : A 32 LYS NZ :NH3+ -159:sc= -0.324 (180deg=-1.51) USER MOD Single : A 36 ASN : amide:sc= -1.39! C(o=-1.4!,f=-2.4!) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 HIS :FLIP no HD1:sc= -1.55 F(o=-4.7!,f=-1.6) USER MOD Single : A 45 TYR OH : rot 150:sc= -1.88 USER MOD Single : A 47 LYS NZ :NH3+ 124:sc= -0.274 (180deg=-0.601) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 57 SER OG : rot 180:sc= -0.012 USER MOD Single : A 62 HIS : no HE2:sc= -11.2! C(o=-11!,f=-13!) USER MOD Single : A 63 LYS NZ :NH3+ 148:sc= -0.28 (180deg=-1.33!) USER MOD Single : A 74 SER OG : rot 180:sc= 0.0779 USER MOD Single : A 79 THR OG1 : rot 150:sc= -1.06 USER MOD Single : A 80 HIS :FLIP no HD1:sc= -1.57 F(o=-4.7!,f=-1.6) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 GLN :FLIP amide:sc= -4.19! C(o=-6.5!,f=-4.2!) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot -105:sc= 0.987 USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 HIS : no HD1:sc= -9.79! C(o=-9.8!,f=-11!) USER MOD Single : A 100 LYS NZ :NH3+ 156:sc= -0.517 (180deg=-0.885) USER MOD Single : A 102 GLN : amide:sc= -2.31! C(o=-2.3!,f=-2.9!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0.0234 USER MOD Single : A 106 SER OG : rot -58:sc= 1.16 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.420 -9.059 -17.312 1.00 0.00 N ATOM 2 CA GLY A 1 15.137 -9.251 -16.579 1.00 0.00 C ATOM 3 C GLY A 1 14.989 -8.298 -15.410 1.00 0.00 C ATOM 4 O GLY A 1 15.720 -8.396 -14.424 1.00 0.00 O ATOM 0 H1 GLY A 1 16.473 -9.734 -18.102 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.466 -8.088 -17.682 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.217 -9.221 -16.664 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.304 -9.109 -17.267 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.079 -10.277 -16.217 1.00 0.00 H new ATOM 10 N SER A 2 14.042 -7.373 -15.518 1.00 0.00 N ATOM 11 CA SER A 2 13.800 -6.397 -14.462 1.00 0.00 C ATOM 12 C SER A 2 12.445 -5.721 -14.645 1.00 0.00 C ATOM 13 O SER A 2 12.291 -4.532 -14.365 1.00 0.00 O ATOM 14 CB SER A 2 14.911 -5.345 -14.447 1.00 0.00 C ATOM 15 OG SER A 2 14.624 -4.314 -13.519 1.00 0.00 O ATOM 0 H SER A 2 13.428 -7.278 -16.327 1.00 0.00 H new ATOM 0 HA SER A 2 13.796 -6.924 -13.508 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.859 -5.817 -14.190 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.027 -4.920 -15.444 1.00 0.00 H new ATOM 0 HG SER A 2 13.761 -3.906 -13.740 1.00 0.00 H new ATOM 21 N SER A 3 11.467 -6.486 -15.117 1.00 0.00 N ATOM 22 CA SER A 3 10.124 -5.961 -15.337 1.00 0.00 C ATOM 23 C SER A 3 9.376 -5.801 -14.014 1.00 0.00 C ATOM 24 O SER A 3 8.859 -4.726 -13.712 1.00 0.00 O ATOM 25 CB SER A 3 9.340 -6.882 -16.275 1.00 0.00 C ATOM 26 OG SER A 3 8.724 -6.145 -17.316 1.00 0.00 O ATOM 0 H SER A 3 11.579 -7.472 -15.355 1.00 0.00 H new ATOM 0 HA SER A 3 10.217 -4.979 -15.800 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.011 -7.628 -16.701 1.00 0.00 H new ATOM 0 HB3 SER A 3 8.581 -7.422 -15.709 1.00 0.00 H new ATOM 0 HG SER A 3 8.231 -6.756 -17.902 1.00 0.00 H new ATOM 32 N PRO A 4 9.310 -6.874 -13.205 1.00 0.00 N ATOM 33 CA PRO A 4 8.621 -6.845 -11.910 1.00 0.00 C ATOM 34 C PRO A 4 9.045 -5.654 -11.051 1.00 0.00 C ATOM 35 O PRO A 4 10.142 -5.644 -10.492 1.00 0.00 O ATOM 36 CB PRO A 4 9.052 -8.156 -11.252 1.00 0.00 C ATOM 37 CG PRO A 4 9.353 -9.068 -12.391 1.00 0.00 C ATOM 38 CD PRO A 4 9.902 -8.196 -13.487 1.00 0.00 C ATOM 0 HA PRO A 4 7.542 -6.742 -12.025 1.00 0.00 H new ATOM 0 HB2 PRO A 4 9.927 -8.012 -10.618 1.00 0.00 H new ATOM 0 HB3 PRO A 4 8.262 -8.560 -10.619 1.00 0.00 H new ATOM 0 HG2 PRO A 4 10.076 -9.830 -12.100 1.00 0.00 H new ATOM 0 HG3 PRO A 4 8.455 -9.590 -12.721 1.00 0.00 H new ATOM 0 HD2 PRO A 4 10.991 -8.161 -13.464 1.00 0.00 H new ATOM 0 HD3 PRO A 4 9.615 -8.562 -14.473 1.00 0.00 H new ATOM 46 N PRO A 5 8.179 -4.632 -10.932 1.00 0.00 N ATOM 47 CA PRO A 5 8.474 -3.437 -10.135 1.00 0.00 C ATOM 48 C PRO A 5 8.444 -3.720 -8.636 1.00 0.00 C ATOM 49 O PRO A 5 8.254 -4.860 -8.213 1.00 0.00 O ATOM 50 CB PRO A 5 7.356 -2.469 -10.519 1.00 0.00 C ATOM 51 CG PRO A 5 6.223 -3.345 -10.927 1.00 0.00 C ATOM 52 CD PRO A 5 6.846 -4.558 -11.563 1.00 0.00 C ATOM 0 HA PRO A 5 9.474 -3.052 -10.332 1.00 0.00 H new ATOM 0 HB2 PRO A 5 7.080 -1.829 -9.681 1.00 0.00 H new ATOM 0 HB3 PRO A 5 7.663 -1.813 -11.333 1.00 0.00 H new ATOM 0 HG2 PRO A 5 5.616 -3.624 -10.066 1.00 0.00 H new ATOM 0 HG3 PRO A 5 5.565 -2.831 -11.628 1.00 0.00 H new ATOM 0 HD2 PRO A 5 6.261 -5.457 -11.371 1.00 0.00 H new ATOM 0 HD3 PRO A 5 6.920 -4.451 -12.645 1.00 0.00 H new ATOM 60 N LYS A 6 8.630 -2.673 -7.838 1.00 0.00 N ATOM 61 CA LYS A 6 8.623 -2.810 -6.385 1.00 0.00 C ATOM 62 C LYS A 6 7.746 -1.769 -5.744 1.00 0.00 C ATOM 63 O LYS A 6 7.379 -0.771 -6.364 1.00 0.00 O ATOM 64 CB LYS A 6 10.043 -2.735 -5.823 1.00 0.00 C ATOM 65 CG LYS A 6 10.878 -1.617 -6.427 1.00 0.00 C ATOM 66 CD LYS A 6 10.582 -0.280 -5.765 1.00 0.00 C ATOM 67 CE LYS A 6 11.433 0.832 -6.354 1.00 0.00 C ATOM 68 NZ LYS A 6 10.723 2.141 -6.341 1.00 0.00 N ATOM 0 H LYS A 6 8.787 -1.722 -8.172 1.00 0.00 H new ATOM 0 HA LYS A 6 8.211 -3.791 -6.148 1.00 0.00 H new ATOM 0 HB2 LYS A 6 9.991 -2.595 -4.743 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.545 -3.687 -5.997 1.00 0.00 H new ATOM 0 HG2 LYS A 6 11.937 -1.852 -6.317 1.00 0.00 H new ATOM 0 HG3 LYS A 6 10.676 -1.548 -7.496 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.527 -0.037 -5.889 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.768 -0.354 -4.694 1.00 0.00 H new ATOM 0 HE2 LYS A 6 12.361 0.917 -5.789 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.705 0.577 -7.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 11.337 2.873 -6.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.850 2.068 -6.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.485 2.397 -5.362 1.00 0.00 H new ATOM 82 N PRO A 7 7.363 -2.016 -4.489 1.00 0.00 N ATOM 83 CA PRO A 7 6.486 -1.120 -3.772 1.00 0.00 C ATOM 84 C PRO A 7 7.087 0.271 -3.600 1.00 0.00 C ATOM 85 O PRO A 7 8.298 0.456 -3.733 1.00 0.00 O ATOM 86 CB PRO A 7 6.275 -1.801 -2.414 1.00 0.00 C ATOM 87 CG PRO A 7 6.675 -3.221 -2.621 1.00 0.00 C ATOM 88 CD PRO A 7 7.722 -3.203 -3.695 1.00 0.00 C ATOM 0 HA PRO A 7 5.554 -0.956 -4.313 1.00 0.00 H new ATOM 0 HB2 PRO A 7 6.881 -1.330 -1.640 1.00 0.00 H new ATOM 0 HB3 PRO A 7 5.236 -1.728 -2.094 1.00 0.00 H new ATOM 0 HG2 PRO A 7 7.067 -3.654 -1.701 1.00 0.00 H new ATOM 0 HG3 PRO A 7 5.820 -3.828 -2.920 1.00 0.00 H new ATOM 0 HD2 PRO A 7 8.726 -3.121 -3.278 1.00 0.00 H new ATOM 0 HD3 PRO A 7 7.699 -4.112 -4.296 1.00 0.00 H new ATOM 96 N GLY A 8 6.232 1.250 -3.327 1.00 0.00 N ATOM 97 CA GLY A 8 6.696 2.617 -3.166 1.00 0.00 C ATOM 98 C GLY A 8 6.335 3.456 -4.373 1.00 0.00 C ATOM 99 O GLY A 8 7.012 4.431 -4.700 1.00 0.00 O ATOM 0 H GLY A 8 5.226 1.123 -3.214 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.253 3.052 -2.270 1.00 0.00 H new ATOM 0 HA3 GLY A 8 7.777 2.624 -3.023 1.00 0.00 H new ATOM 103 N ASP A 9 5.270 3.039 -5.047 1.00 0.00 N ATOM 104 CA ASP A 9 4.780 3.687 -6.248 1.00 0.00 C ATOM 105 C ASP A 9 3.646 2.847 -6.783 1.00 0.00 C ATOM 106 O ASP A 9 2.784 2.402 -6.024 1.00 0.00 O ATOM 107 CB ASP A 9 5.911 3.827 -7.261 1.00 0.00 C ATOM 108 CG ASP A 9 5.951 5.204 -7.897 1.00 0.00 C ATOM 109 OD1 ASP A 9 4.911 5.896 -7.878 1.00 0.00 O ATOM 110 OD2 ASP A 9 7.020 5.589 -8.414 1.00 0.00 O ATOM 0 H ASP A 9 4.717 2.229 -4.767 1.00 0.00 H new ATOM 0 HA ASP A 9 4.418 4.693 -6.038 1.00 0.00 H new ATOM 0 HB2 ASP A 9 6.863 3.630 -6.768 1.00 0.00 H new ATOM 0 HB3 ASP A 9 5.793 3.073 -8.040 1.00 0.00 H new ATOM 115 N ILE A 10 3.645 2.619 -8.064 1.00 0.00 N ATOM 116 CA ILE A 10 2.609 1.815 -8.659 1.00 0.00 C ATOM 117 C ILE A 10 2.916 0.330 -8.426 1.00 0.00 C ATOM 118 O ILE A 10 3.737 -0.288 -9.101 1.00 0.00 O ATOM 119 CB ILE A 10 2.507 2.149 -10.167 1.00 0.00 C ATOM 120 CG1 ILE A 10 1.046 2.152 -10.618 1.00 0.00 C ATOM 121 CG2 ILE A 10 3.331 1.202 -11.032 1.00 0.00 C ATOM 122 CD1 ILE A 10 0.293 0.899 -10.225 1.00 0.00 C ATOM 0 H ILE A 10 4.344 2.974 -8.716 1.00 0.00 H new ATOM 0 HA ILE A 10 1.646 2.034 -8.197 1.00 0.00 H new ATOM 0 HB ILE A 10 2.924 3.147 -10.301 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.543 3.019 -10.189 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.008 2.265 -11.701 1.00 0.00 H new ATOM 0 HG21 ILE A 10 3.224 1.481 -12.080 1.00 0.00 H new ATOM 0 HG22 ILE A 10 4.380 1.267 -10.745 1.00 0.00 H new ATOM 0 HG23 ILE A 10 2.979 0.180 -10.890 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.737 0.968 -10.576 1.00 0.00 H new ATOM 0 HD12 ILE A 10 0.773 0.030 -10.675 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.300 0.796 -9.140 1.00 0.00 H new ATOM 134 N PHE A 11 2.230 -0.212 -7.431 1.00 0.00 N ATOM 135 CA PHE A 11 2.361 -1.608 -7.030 1.00 0.00 C ATOM 136 C PHE A 11 1.015 -2.316 -7.184 1.00 0.00 C ATOM 137 O PHE A 11 -0.013 -1.668 -7.121 1.00 0.00 O ATOM 138 CB PHE A 11 2.886 -1.667 -5.588 1.00 0.00 C ATOM 139 CG PHE A 11 2.798 -3.004 -4.935 1.00 0.00 C ATOM 140 CD1 PHE A 11 1.574 -3.541 -4.604 1.00 0.00 C ATOM 141 CD2 PHE A 11 3.947 -3.712 -4.626 1.00 0.00 C ATOM 142 CE1 PHE A 11 1.491 -4.761 -3.985 1.00 0.00 C ATOM 143 CE2 PHE A 11 3.868 -4.935 -3.998 1.00 0.00 C ATOM 144 CZ PHE A 11 2.634 -5.459 -3.679 1.00 0.00 C ATOM 0 H PHE A 11 1.557 0.311 -6.871 1.00 0.00 H new ATOM 0 HA PHE A 11 3.075 -2.126 -7.670 1.00 0.00 H new ATOM 0 HB2 PHE A 11 3.928 -1.346 -5.584 1.00 0.00 H new ATOM 0 HB3 PHE A 11 2.329 -0.949 -4.986 1.00 0.00 H new ATOM 0 HD1 PHE A 11 0.671 -2.996 -4.834 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.913 -3.302 -4.880 1.00 0.00 H new ATOM 0 HE1 PHE A 11 0.525 -5.175 -3.737 1.00 0.00 H new ATOM 0 HE2 PHE A 11 4.768 -5.481 -3.757 1.00 0.00 H new ATOM 0 HZ PHE A 11 2.565 -6.419 -3.188 1.00 0.00 H new ATOM 154 N GLU A 12 1.003 -3.632 -7.360 1.00 0.00 N ATOM 155 CA GLU A 12 -0.253 -4.358 -7.477 1.00 0.00 C ATOM 156 C GLU A 12 -0.237 -5.612 -6.594 1.00 0.00 C ATOM 157 O GLU A 12 0.838 -6.158 -6.345 1.00 0.00 O ATOM 158 CB GLU A 12 -0.579 -4.687 -8.943 1.00 0.00 C ATOM 159 CG GLU A 12 -0.499 -6.167 -9.294 1.00 0.00 C ATOM 160 CD GLU A 12 -0.891 -6.447 -10.731 1.00 0.00 C ATOM 161 OE1 GLU A 12 -0.086 -6.144 -11.636 1.00 0.00 O ATOM 162 OE2 GLU A 12 -2.004 -6.971 -10.952 1.00 0.00 O ATOM 0 H GLU A 12 1.840 -4.212 -7.424 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.054 -3.713 -7.117 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.583 -4.328 -9.168 1.00 0.00 H new ATOM 0 HB3 GLU A 12 0.108 -4.137 -9.586 1.00 0.00 H new ATOM 0 HG2 GLU A 12 0.517 -6.523 -9.122 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.151 -6.731 -8.627 1.00 0.00 H new ATOM 169 N VAL A 13 -1.405 -6.085 -6.100 1.00 0.00 N ATOM 170 CA VAL A 13 -1.396 -7.259 -5.261 1.00 0.00 C ATOM 171 C VAL A 13 -2.254 -8.338 -5.874 1.00 0.00 C ATOM 172 O VAL A 13 -3.478 -8.231 -5.918 1.00 0.00 O ATOM 173 CB VAL A 13 -1.910 -6.928 -3.833 1.00 0.00 C ATOM 174 CG1 VAL A 13 -1.645 -5.475 -3.470 1.00 0.00 C ATOM 175 CG2 VAL A 13 -3.391 -7.240 -3.668 1.00 0.00 C ATOM 0 H VAL A 13 -2.323 -5.675 -6.271 1.00 0.00 H new ATOM 0 HA VAL A 13 -0.368 -7.613 -5.183 1.00 0.00 H new ATOM 0 HB VAL A 13 -1.352 -7.569 -3.150 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.017 -5.277 -2.465 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -0.573 -5.281 -3.505 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.155 -4.824 -4.180 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -3.704 -6.992 -2.654 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -3.969 -6.651 -4.380 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.562 -8.301 -3.852 1.00 0.00 H new ATOM 185 N GLU A 14 -1.612 -9.376 -6.362 1.00 0.00 N ATOM 186 CA GLU A 14 -2.331 -10.450 -6.964 1.00 0.00 C ATOM 187 C GLU A 14 -2.160 -11.781 -6.233 1.00 0.00 C ATOM 188 O GLU A 14 -1.046 -12.279 -6.087 1.00 0.00 O ATOM 189 CB GLU A 14 -1.885 -10.633 -8.376 1.00 0.00 C ATOM 190 CG GLU A 14 -0.484 -11.197 -8.508 1.00 0.00 C ATOM 191 CD GLU A 14 0.070 -11.071 -9.914 1.00 0.00 C ATOM 192 OE1 GLU A 14 0.661 -10.016 -10.228 1.00 0.00 O ATOM 193 OE2 GLU A 14 -0.087 -12.028 -10.701 1.00 0.00 O ATOM 0 H GLU A 14 -0.598 -9.489 -6.349 1.00 0.00 H new ATOM 0 HA GLU A 14 -3.384 -10.173 -6.911 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.583 -11.298 -8.884 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.929 -9.672 -8.888 1.00 0.00 H new ATOM 0 HG2 GLU A 14 0.178 -10.679 -7.814 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.491 -12.248 -8.218 1.00 0.00 H new ATOM 200 N LEU A 15 -3.272 -12.372 -5.877 1.00 0.00 N ATOM 201 CA LEU A 15 -3.331 -13.693 -5.246 1.00 0.00 C ATOM 202 C LEU A 15 -4.564 -14.436 -5.726 1.00 0.00 C ATOM 203 O LEU A 15 -5.585 -13.823 -6.033 1.00 0.00 O ATOM 204 CB LEU A 15 -3.336 -13.619 -3.712 1.00 0.00 C ATOM 205 CG LEU A 15 -2.057 -14.151 -3.076 1.00 0.00 C ATOM 206 CD1 LEU A 15 -2.006 -15.669 -3.156 1.00 0.00 C ATOM 207 CD2 LEU A 15 -0.870 -13.531 -3.781 1.00 0.00 C ATOM 0 H LEU A 15 -4.190 -11.950 -6.015 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.428 -14.229 -5.539 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.481 -12.583 -3.406 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -4.185 -14.186 -3.331 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.033 -13.881 -2.020 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.085 -16.027 -2.696 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.862 -16.090 -2.629 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.035 -15.979 -4.200 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.053 -13.903 -3.336 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.895 -13.796 -4.838 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.911 -12.447 -3.678 1.00 0.00 H new ATOM 219 N ALA A 16 -4.474 -15.754 -5.769 1.00 0.00 N ATOM 220 CA ALA A 16 -5.584 -16.573 -6.188 1.00 0.00 C ATOM 221 C ALA A 16 -6.102 -17.315 -4.984 1.00 0.00 C ATOM 222 O ALA A 16 -5.347 -18.046 -4.350 1.00 0.00 O ATOM 223 CB ALA A 16 -5.125 -17.539 -7.262 1.00 0.00 C ATOM 0 H ALA A 16 -3.636 -16.277 -5.516 1.00 0.00 H new ATOM 0 HA ALA A 16 -6.381 -15.958 -6.605 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.965 -18.158 -7.578 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.745 -16.979 -8.117 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -4.335 -18.176 -6.865 1.00 0.00 H new ATOM 229 N LYS A 17 -7.370 -17.110 -4.637 1.00 0.00 N ATOM 230 CA LYS A 17 -7.920 -17.775 -3.455 1.00 0.00 C ATOM 231 C LYS A 17 -7.433 -19.211 -3.376 1.00 0.00 C ATOM 232 O LYS A 17 -8.030 -20.121 -3.954 1.00 0.00 O ATOM 233 CB LYS A 17 -9.442 -17.757 -3.425 1.00 0.00 C ATOM 234 CG LYS A 17 -9.999 -18.530 -2.243 1.00 0.00 C ATOM 235 CD LYS A 17 -10.838 -19.716 -2.691 1.00 0.00 C ATOM 236 CE LYS A 17 -11.941 -20.027 -1.691 1.00 0.00 C ATOM 237 NZ LYS A 17 -13.193 -20.469 -2.366 1.00 0.00 N ATOM 0 H LYS A 17 -8.022 -16.507 -5.139 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.564 -17.212 -2.592 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.791 -16.725 -3.380 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.828 -18.184 -4.351 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.178 -18.881 -1.618 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.607 -17.866 -1.628 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.278 -19.505 -3.666 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.199 -20.590 -2.813 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.603 -20.806 -1.007 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.146 -19.142 -1.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.920 -20.671 -1.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.530 -19.716 -2.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.004 -21.329 -2.920 1.00 0.00 H new ATOM 251 N ASN A 18 -6.333 -19.398 -2.669 1.00 0.00 N ATOM 252 CA ASN A 18 -5.746 -20.735 -2.531 1.00 0.00 C ATOM 253 C ASN A 18 -5.241 -21.001 -1.115 1.00 0.00 C ATOM 254 O ASN A 18 -5.558 -22.030 -0.517 1.00 0.00 O ATOM 255 CB ASN A 18 -4.613 -20.930 -3.548 1.00 0.00 C ATOM 256 CG ASN A 18 -3.339 -20.195 -3.172 1.00 0.00 C ATOM 257 OD1 ASN A 18 -2.608 -20.612 -2.274 1.00 0.00 O ATOM 258 ND2 ASN A 18 -3.063 -19.095 -3.864 1.00 0.00 N ATOM 0 H ASN A 18 -5.827 -18.657 -2.184 1.00 0.00 H new ATOM 0 HA ASN A 18 -6.537 -21.457 -2.733 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -4.397 -21.994 -3.642 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.948 -20.586 -4.526 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -2.218 -18.562 -3.659 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -3.696 -18.784 -4.601 1.00 0.00 H new ATOM 265 N ASP A 19 -4.465 -20.070 -0.582 1.00 0.00 N ATOM 266 CA ASP A 19 -3.927 -20.199 0.766 1.00 0.00 C ATOM 267 C ASP A 19 -4.184 -18.919 1.520 1.00 0.00 C ATOM 268 O ASP A 19 -4.499 -18.913 2.709 1.00 0.00 O ATOM 269 CB ASP A 19 -2.429 -20.510 0.729 1.00 0.00 C ATOM 270 CG ASP A 19 -2.150 -21.993 0.576 1.00 0.00 C ATOM 271 OD1 ASP A 19 -2.871 -22.655 -0.201 1.00 0.00 O ATOM 272 OD2 ASP A 19 -1.212 -22.491 1.233 1.00 0.00 O ATOM 0 H ASP A 19 -4.192 -19.213 -1.063 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.422 -21.027 1.273 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.969 -19.969 -0.098 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -1.963 -20.148 1.645 1.00 0.00 H new ATOM 277 N ASN A 20 -4.086 -17.847 0.775 1.00 0.00 N ATOM 278 CA ASN A 20 -4.333 -16.521 1.264 1.00 0.00 C ATOM 279 C ASN A 20 -4.512 -15.616 0.075 1.00 0.00 C ATOM 280 O ASN A 20 -3.967 -15.880 -0.997 1.00 0.00 O ATOM 281 CB ASN A 20 -3.198 -16.008 2.145 1.00 0.00 C ATOM 282 CG ASN A 20 -3.124 -16.725 3.478 1.00 0.00 C ATOM 283 OD1 ASN A 20 -2.270 -17.588 3.685 1.00 0.00 O ATOM 284 ND2 ASN A 20 -4.022 -16.373 4.391 1.00 0.00 N ATOM 0 H ASN A 20 -3.826 -17.877 -0.211 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.228 -16.536 1.886 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -2.251 -16.129 1.619 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -3.332 -14.940 2.318 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.022 -16.823 5.306 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.712 -15.653 4.177 1.00 0.00 H new ATOM 291 N SER A 21 -5.271 -14.563 0.245 1.00 0.00 N ATOM 292 CA SER A 21 -5.500 -13.654 -0.851 1.00 0.00 C ATOM 293 C SER A 21 -6.139 -12.398 -0.296 1.00 0.00 C ATOM 294 O SER A 21 -7.024 -11.791 -0.897 1.00 0.00 O ATOM 295 CB SER A 21 -6.381 -14.344 -1.906 1.00 0.00 C ATOM 296 OG SER A 21 -6.287 -13.689 -3.159 1.00 0.00 O ATOM 0 H SER A 21 -5.735 -14.315 1.119 1.00 0.00 H new ATOM 0 HA SER A 21 -4.568 -13.376 -1.342 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.077 -15.385 -2.013 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.418 -14.348 -1.571 1.00 0.00 H new ATOM 0 HG SER A 21 -7.145 -13.757 -3.629 1.00 0.00 H new ATOM 302 N LEU A 22 -5.677 -12.060 0.902 1.00 0.00 N ATOM 303 CA LEU A 22 -6.163 -10.928 1.661 1.00 0.00 C ATOM 304 C LEU A 22 -5.649 -11.055 3.083 1.00 0.00 C ATOM 305 O LEU A 22 -5.021 -12.046 3.426 1.00 0.00 O ATOM 306 CB LEU A 22 -7.666 -10.989 1.796 1.00 0.00 C ATOM 307 CG LEU A 22 -8.039 -11.641 3.124 1.00 0.00 C ATOM 308 CD1 LEU A 22 -8.949 -10.735 3.941 1.00 0.00 C ATOM 309 CD2 LEU A 22 -8.680 -13.004 2.904 1.00 0.00 C ATOM 0 H LEU A 22 -4.939 -12.580 1.377 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.841 -10.017 1.157 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.086 -9.985 1.743 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.092 -11.557 0.969 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.120 -11.792 3.691 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.199 -11.224 4.882 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.437 -9.794 4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.863 -10.537 3.381 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.936 -13.446 3.867 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.584 -12.889 2.306 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.980 -13.655 2.381 1.00 0.00 H new ATOM 321 N GLY A 23 -6.000 -10.093 3.922 1.00 0.00 N ATOM 322 CA GLY A 23 -5.628 -10.156 5.321 1.00 0.00 C ATOM 323 C GLY A 23 -5.364 -8.790 5.868 1.00 0.00 C ATOM 324 O GLY A 23 -4.476 -8.593 6.683 1.00 0.00 O ATOM 0 H GLY A 23 -6.537 -9.267 3.659 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -6.425 -10.632 5.892 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.739 -10.776 5.437 1.00 0.00 H new ATOM 328 N ILE A 24 -6.128 -7.833 5.401 1.00 0.00 N ATOM 329 CA ILE A 24 -5.939 -6.467 5.833 1.00 0.00 C ATOM 330 C ILE A 24 -7.157 -5.902 6.530 1.00 0.00 C ATOM 331 O ILE A 24 -8.294 -6.269 6.232 1.00 0.00 O ATOM 332 CB ILE A 24 -5.563 -5.568 4.646 1.00 0.00 C ATOM 333 CG1 ILE A 24 -6.745 -5.436 3.680 1.00 0.00 C ATOM 334 CG2 ILE A 24 -4.345 -6.155 3.920 1.00 0.00 C ATOM 335 CD1 ILE A 24 -7.580 -4.196 3.914 1.00 0.00 C ATOM 0 H ILE A 24 -6.881 -7.971 4.727 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.123 -6.483 6.555 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.312 -4.575 5.018 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.368 -5.423 2.657 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -7.381 -6.316 3.774 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.080 -5.515 3.078 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.503 -6.214 4.610 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -4.585 -7.154 3.555 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -8.399 -4.167 3.195 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.986 -4.216 4.925 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.958 -3.310 3.791 1.00 0.00 H new ATOM 347 N SER A 25 -6.902 -4.977 7.440 1.00 0.00 N ATOM 348 CA SER A 25 -7.946 -4.321 8.162 1.00 0.00 C ATOM 349 C SER A 25 -8.131 -2.936 7.581 1.00 0.00 C ATOM 350 O SER A 25 -7.225 -2.103 7.638 1.00 0.00 O ATOM 351 CB SER A 25 -7.634 -4.256 9.658 1.00 0.00 C ATOM 352 OG SER A 25 -8.816 -4.076 10.418 1.00 0.00 O ATOM 0 H SER A 25 -5.962 -4.669 7.689 1.00 0.00 H new ATOM 0 HA SER A 25 -8.871 -4.889 8.061 1.00 0.00 H new ATOM 0 HB2 SER A 25 -7.134 -5.174 9.969 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.944 -3.435 9.853 1.00 0.00 H new ATOM 0 HG SER A 25 -8.590 -4.039 11.371 1.00 0.00 H new ATOM 358 N VAL A 26 -9.288 -2.705 6.986 1.00 0.00 N ATOM 359 CA VAL A 26 -9.561 -1.430 6.352 1.00 0.00 C ATOM 360 C VAL A 26 -10.398 -0.537 7.250 1.00 0.00 C ATOM 361 O VAL A 26 -11.060 -1.010 8.173 1.00 0.00 O ATOM 362 CB VAL A 26 -10.279 -1.618 5.002 1.00 0.00 C ATOM 363 CG1 VAL A 26 -11.607 -2.337 5.194 1.00 0.00 C ATOM 364 CG2 VAL A 26 -10.485 -0.279 4.313 1.00 0.00 C ATOM 0 H VAL A 26 -10.050 -3.381 6.929 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.598 -0.950 6.175 1.00 0.00 H new ATOM 0 HB VAL A 26 -9.648 -2.236 4.363 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.097 -2.459 4.228 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.430 -3.317 5.638 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.246 -1.750 5.854 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -10.994 -0.434 3.361 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.091 0.367 4.948 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.518 0.191 4.135 1.00 0.00 H new ATOM 374 N THR A 27 -10.318 0.766 6.993 1.00 0.00 N ATOM 375 CA THR A 27 -11.021 1.766 7.788 1.00 0.00 C ATOM 376 C THR A 27 -10.254 2.024 9.083 1.00 0.00 C ATOM 377 O THR A 27 -10.660 2.839 9.911 1.00 0.00 O ATOM 378 CB THR A 27 -12.458 1.332 8.103 1.00 0.00 C ATOM 379 OG1 THR A 27 -13.194 1.124 6.910 1.00 0.00 O ATOM 380 CG2 THR A 27 -13.217 2.340 8.940 1.00 0.00 C ATOM 0 H THR A 27 -9.765 1.156 6.230 1.00 0.00 H new ATOM 0 HA THR A 27 -11.076 2.685 7.204 1.00 0.00 H new ATOM 0 HB THR A 27 -12.361 0.408 8.673 1.00 0.00 H new ATOM 0 HG1 THR A 27 -13.821 1.866 6.779 1.00 0.00 H new ATOM 0 HG21 THR A 27 -14.226 1.972 9.127 1.00 0.00 H new ATOM 0 HG22 THR A 27 -12.702 2.486 9.890 1.00 0.00 H new ATOM 0 HG23 THR A 27 -13.270 3.289 8.407 1.00 0.00 H new ATOM 388 N VAL A 28 -9.137 1.319 9.239 1.00 0.00 N ATOM 389 CA VAL A 28 -8.290 1.447 10.407 1.00 0.00 C ATOM 390 C VAL A 28 -7.550 2.778 10.401 1.00 0.00 C ATOM 391 O VAL A 28 -7.498 3.470 11.417 1.00 0.00 O ATOM 392 CB VAL A 28 -7.279 0.297 10.447 1.00 0.00 C ATOM 393 CG1 VAL A 28 -8.004 -1.035 10.482 1.00 0.00 C ATOM 394 CG2 VAL A 28 -6.365 0.360 9.238 1.00 0.00 C ATOM 0 H VAL A 28 -8.798 0.643 8.554 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.924 1.408 11.293 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.675 0.394 11.349 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.275 -1.845 10.510 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -8.635 -1.083 11.370 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.624 -1.135 9.591 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -5.651 -0.463 9.278 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -6.960 0.280 8.328 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.827 1.308 9.238 1.00 0.00 H new ATOM 404 N LEU A 29 -7.003 3.154 9.242 1.00 0.00 N ATOM 405 CA LEU A 29 -6.312 4.410 9.117 1.00 0.00 C ATOM 406 C LEU A 29 -7.131 5.323 8.244 1.00 0.00 C ATOM 407 O LEU A 29 -6.893 6.526 8.154 1.00 0.00 O ATOM 408 CB LEU A 29 -4.919 4.216 8.522 1.00 0.00 C ATOM 409 CG LEU A 29 -4.118 3.039 9.083 1.00 0.00 C ATOM 410 CD1 LEU A 29 -2.637 3.220 8.787 1.00 0.00 C ATOM 411 CD2 LEU A 29 -4.340 2.894 10.583 1.00 0.00 C ATOM 0 H LEU A 29 -7.033 2.598 8.387 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.186 4.851 10.106 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.019 4.084 7.445 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.346 5.130 8.679 1.00 0.00 H new ATOM 0 HG LEU A 29 -4.468 2.128 8.597 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.079 2.376 9.192 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.485 3.272 7.709 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -2.284 4.142 9.248 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.760 2.050 10.957 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.021 3.806 11.088 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.398 2.722 10.779 1.00 0.00 H new ATOM 423 N PHE A 30 -8.098 4.711 7.596 1.00 0.00 N ATOM 424 CA PHE A 30 -8.985 5.403 6.704 1.00 0.00 C ATOM 425 C PHE A 30 -10.442 5.178 7.094 1.00 0.00 C ATOM 426 O PHE A 30 -10.731 4.491 8.071 1.00 0.00 O ATOM 427 CB PHE A 30 -8.730 4.906 5.294 1.00 0.00 C ATOM 428 CG PHE A 30 -9.040 5.833 4.318 1.00 0.00 C ATOM 429 CD1 PHE A 30 -8.234 6.886 4.185 1.00 0.00 C ATOM 430 CD2 PHE A 30 -10.062 5.613 3.484 1.00 0.00 C ATOM 431 CE1 PHE A 30 -8.430 7.745 3.217 1.00 0.00 C ATOM 432 CE2 PHE A 30 -10.300 6.470 2.506 1.00 0.00 C ATOM 433 CZ PHE A 30 -9.477 7.565 2.348 1.00 0.00 C ATOM 0 H PHE A 30 -8.287 3.712 7.678 1.00 0.00 H new ATOM 0 HA PHE A 30 -8.795 6.475 6.763 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.680 4.628 5.200 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -9.315 4.002 5.124 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -7.418 7.031 4.877 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -10.688 4.742 3.609 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -7.770 8.592 3.103 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.133 6.314 1.836 1.00 0.00 H new ATOM 0 HZ PHE A 30 -9.654 8.272 1.551 1.00 0.00 H new ATOM 443 N ASP A 31 -11.358 5.751 6.321 1.00 0.00 N ATOM 444 CA ASP A 31 -12.780 5.588 6.582 1.00 0.00 C ATOM 445 C ASP A 31 -13.252 4.262 5.999 1.00 0.00 C ATOM 446 O ASP A 31 -13.976 3.505 6.645 1.00 0.00 O ATOM 447 CB ASP A 31 -13.576 6.748 5.978 1.00 0.00 C ATOM 448 CG ASP A 31 -13.864 7.839 6.990 1.00 0.00 C ATOM 449 OD1 ASP A 31 -12.958 8.168 7.783 1.00 0.00 O ATOM 450 OD2 ASP A 31 -14.997 8.366 6.988 1.00 0.00 O ATOM 0 H ASP A 31 -11.140 6.331 5.511 1.00 0.00 H new ATOM 0 HA ASP A 31 -12.946 5.589 7.659 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.020 7.170 5.141 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -14.517 6.370 5.577 1.00 0.00 H new ATOM 455 N LYS A 32 -12.817 3.982 4.773 1.00 0.00 N ATOM 456 CA LYS A 32 -13.167 2.739 4.094 1.00 0.00 C ATOM 457 C LYS A 32 -12.072 2.351 3.098 1.00 0.00 C ATOM 458 O LYS A 32 -12.361 1.999 1.953 1.00 0.00 O ATOM 459 CB LYS A 32 -14.526 2.842 3.369 1.00 0.00 C ATOM 460 CG LYS A 32 -15.232 4.187 3.500 1.00 0.00 C ATOM 461 CD LYS A 32 -14.895 5.107 2.340 1.00 0.00 C ATOM 462 CE LYS A 32 -13.595 5.854 2.583 1.00 0.00 C ATOM 463 NZ LYS A 32 -13.608 7.209 1.966 1.00 0.00 N ATOM 0 H LYS A 32 -12.219 4.603 4.228 1.00 0.00 H new ATOM 0 HA LYS A 32 -13.254 1.965 4.856 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -14.372 2.632 2.311 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -15.185 2.065 3.755 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -16.310 4.031 3.541 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -14.943 4.661 4.438 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.815 4.524 1.423 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -15.705 5.822 2.194 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.424 5.945 3.656 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -12.764 5.278 2.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.631 7.541 1.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -14.084 7.165 1.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -14.118 7.869 2.588 1.00 0.00 H new ATOM 477 N GLY A 33 -10.811 2.424 3.530 1.00 0.00 N ATOM 478 CA GLY A 33 -9.714 2.082 2.639 1.00 0.00 C ATOM 479 C GLY A 33 -9.771 2.901 1.353 1.00 0.00 C ATOM 480 O GLY A 33 -9.318 4.045 1.318 1.00 0.00 O ATOM 0 H GLY A 33 -10.534 2.710 4.469 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.764 2.258 3.144 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -9.755 1.020 2.399 1.00 0.00 H new ATOM 484 N GLY A 34 -10.335 2.299 0.297 1.00 0.00 N ATOM 485 CA GLY A 34 -10.445 2.959 -1.002 1.00 0.00 C ATOM 486 C GLY A 34 -11.322 4.199 -0.986 1.00 0.00 C ATOM 487 O GLY A 34 -11.967 4.489 0.021 1.00 0.00 O ATOM 0 H GLY A 34 -10.721 1.355 0.322 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.448 3.235 -1.345 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.846 2.250 -1.727 1.00 0.00 H new ATOM 491 N VAL A 35 -11.320 4.943 -2.105 1.00 0.00 N ATOM 492 CA VAL A 35 -12.082 6.177 -2.240 1.00 0.00 C ATOM 493 C VAL A 35 -11.468 6.950 -3.394 1.00 0.00 C ATOM 494 O VAL A 35 -10.908 6.345 -4.300 1.00 0.00 O ATOM 495 CB VAL A 35 -11.980 6.990 -0.935 1.00 0.00 C ATOM 496 CG1 VAL A 35 -10.516 7.190 -0.559 1.00 0.00 C ATOM 497 CG2 VAL A 35 -12.756 8.305 -0.983 1.00 0.00 C ATOM 0 H VAL A 35 -10.786 4.697 -2.938 1.00 0.00 H new ATOM 0 HA VAL A 35 -13.136 5.976 -2.431 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.461 6.411 -0.147 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.453 7.766 0.364 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.042 6.219 -0.415 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.006 7.728 -1.358 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.643 8.829 -0.034 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -12.368 8.927 -1.789 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -13.811 8.098 -1.160 1.00 0.00 H new ATOM 507 N ASN A 36 -11.493 8.262 -3.325 1.00 0.00 N ATOM 508 CA ASN A 36 -10.858 9.087 -4.309 1.00 0.00 C ATOM 509 C ASN A 36 -10.354 10.254 -3.516 1.00 0.00 C ATOM 510 O ASN A 36 -10.208 11.369 -4.014 1.00 0.00 O ATOM 511 CB ASN A 36 -11.827 9.533 -5.409 1.00 0.00 C ATOM 512 CG ASN A 36 -11.281 10.662 -6.264 1.00 0.00 C ATOM 513 OD1 ASN A 36 -10.072 10.767 -6.474 1.00 0.00 O ATOM 514 ND2 ASN A 36 -12.171 11.512 -6.760 1.00 0.00 N ATOM 0 H ASN A 36 -11.957 8.781 -2.580 1.00 0.00 H new ATOM 0 HA ASN A 36 -10.067 8.559 -4.842 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -12.058 8.681 -6.048 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -12.764 9.852 -4.952 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -11.863 12.291 -7.342 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -13.163 11.386 -6.560 1.00 0.00 H new ATOM 521 N THR A 37 -10.178 9.959 -2.219 1.00 0.00 N ATOM 522 CA THR A 37 -9.783 10.923 -1.233 1.00 0.00 C ATOM 523 C THR A 37 -9.333 12.257 -1.841 1.00 0.00 C ATOM 524 O THR A 37 -9.869 13.312 -1.507 1.00 0.00 O ATOM 525 CB THR A 37 -8.689 10.354 -0.328 1.00 0.00 C ATOM 526 OG1 THR A 37 -7.991 11.394 0.335 1.00 0.00 O ATOM 527 CG2 THR A 37 -7.671 9.516 -1.070 1.00 0.00 C ATOM 0 H THR A 37 -10.314 9.022 -1.840 1.00 0.00 H new ATOM 0 HA THR A 37 -10.671 11.134 -0.637 1.00 0.00 H new ATOM 0 HB THR A 37 -9.211 9.714 0.384 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.297 11.008 0.909 1.00 0.00 H new ATOM 0 HG21 THR A 37 -6.925 9.144 -0.368 1.00 0.00 H new ATOM 0 HG22 THR A 37 -8.172 8.674 -1.547 1.00 0.00 H new ATOM 0 HG23 THR A 37 -7.182 10.126 -1.830 1.00 0.00 H new ATOM 535 N SER A 38 -8.345 12.199 -2.736 1.00 0.00 N ATOM 536 CA SER A 38 -7.828 13.405 -3.388 1.00 0.00 C ATOM 537 C SER A 38 -6.589 13.100 -4.228 1.00 0.00 C ATOM 538 O SER A 38 -5.664 13.910 -4.304 1.00 0.00 O ATOM 539 CB SER A 38 -7.485 14.460 -2.340 1.00 0.00 C ATOM 540 OG SER A 38 -8.226 15.650 -2.548 1.00 0.00 O ATOM 0 H SER A 38 -7.888 11.334 -3.025 1.00 0.00 H new ATOM 0 HA SER A 38 -8.606 13.783 -4.051 1.00 0.00 H new ATOM 0 HB2 SER A 38 -7.693 14.068 -1.344 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.418 14.681 -2.379 1.00 0.00 H new ATOM 0 HG SER A 38 -7.988 16.308 -1.862 1.00 0.00 H new ATOM 546 N VAL A 39 -6.571 11.931 -4.846 1.00 0.00 N ATOM 547 CA VAL A 39 -5.437 11.518 -5.672 1.00 0.00 C ATOM 548 C VAL A 39 -5.801 11.418 -7.146 1.00 0.00 C ATOM 549 O VAL A 39 -4.960 11.135 -7.999 1.00 0.00 O ATOM 550 CB VAL A 39 -4.874 10.176 -5.188 1.00 0.00 C ATOM 551 CG1 VAL A 39 -5.882 9.062 -5.409 1.00 0.00 C ATOM 552 CG2 VAL A 39 -3.547 9.864 -5.865 1.00 0.00 C ATOM 0 H VAL A 39 -7.326 11.248 -4.795 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.676 12.292 -5.568 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.686 10.251 -4.117 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.464 8.118 -5.059 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.795 9.282 -4.855 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.112 8.985 -6.472 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.170 8.907 -5.504 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.692 9.813 -6.944 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.827 10.649 -5.633 1.00 0.00 H new ATOM 562 N ARG A 40 -7.054 11.667 -7.420 1.00 0.00 N ATOM 563 CA ARG A 40 -7.589 11.632 -8.776 1.00 0.00 C ATOM 564 C ARG A 40 -7.458 10.239 -9.381 1.00 0.00 C ATOM 565 O ARG A 40 -7.509 10.066 -10.598 1.00 0.00 O ATOM 566 CB ARG A 40 -6.860 12.657 -9.629 1.00 0.00 C ATOM 567 CG ARG A 40 -7.663 13.144 -10.825 1.00 0.00 C ATOM 568 CD ARG A 40 -6.770 13.400 -12.028 1.00 0.00 C ATOM 569 NE ARG A 40 -7.545 13.662 -13.238 1.00 0.00 N ATOM 570 CZ ARG A 40 -8.115 14.832 -13.516 1.00 0.00 C ATOM 571 NH1 ARG A 40 -8.000 15.851 -12.673 1.00 0.00 N ATOM 572 NH2 ARG A 40 -8.802 14.985 -14.640 1.00 0.00 N ATOM 0 H ARG A 40 -7.747 11.903 -6.710 1.00 0.00 H new ATOM 0 HA ARG A 40 -8.651 11.877 -8.744 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.597 13.513 -9.007 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.926 12.222 -9.984 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.419 12.403 -11.083 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.191 14.060 -10.561 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.120 14.250 -11.823 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.124 12.537 -12.191 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.656 12.903 -13.910 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.473 15.739 -11.807 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.439 16.745 -12.891 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.894 14.206 -15.292 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.239 15.882 -14.853 1.00 0.00 H new ATOM 586 N HIS A 41 -7.284 9.256 -8.512 1.00 0.00 N ATOM 587 CA HIS A 41 -7.135 7.866 -8.923 1.00 0.00 C ATOM 588 C HIS A 41 -7.892 6.945 -7.984 1.00 0.00 C ATOM 589 O HIS A 41 -8.271 5.830 -8.339 1.00 0.00 O ATOM 590 CB HIS A 41 -5.668 7.481 -8.869 1.00 0.00 C ATOM 591 CG HIS A 41 -4.776 8.384 -9.665 1.00 0.00 C ATOM 592 ND1 HIS A 41 -3.705 9.125 -9.295 1.00 0.00 N flip ATOM 593 CD2 HIS A 41 -4.938 8.598 -11.018 1.00 0.00 C flip ATOM 594 CE1 HIS A 41 -3.247 9.767 -10.419 1.00 0.00 C flip ATOM 595 NE2 HIS A 41 -4.007 9.432 -11.445 1.00 0.00 N flip ATOM 0 H HIS A 41 -7.242 9.397 -7.503 1.00 0.00 H new ATOM 0 HA HIS A 41 -7.530 7.765 -9.934 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -5.339 7.485 -7.830 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -5.556 6.460 -9.235 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -5.706 8.153 -11.633 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -2.401 10.438 -10.457 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -3.895 9.761 -12.404 1.00 0.00 H new ATOM 604 N GLY A 42 -8.058 7.425 -6.768 1.00 0.00 N ATOM 605 CA GLY A 42 -8.708 6.672 -5.737 1.00 0.00 C ATOM 606 C GLY A 42 -8.095 7.003 -4.403 1.00 0.00 C ATOM 607 O GLY A 42 -8.253 8.113 -3.896 1.00 0.00 O ATOM 0 H GLY A 42 -7.743 8.350 -6.476 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -9.774 6.899 -5.725 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.612 5.605 -5.937 1.00 0.00 H new ATOM 611 N GLY A 43 -7.323 6.073 -3.866 1.00 0.00 N ATOM 612 CA GLY A 43 -6.630 6.364 -2.620 1.00 0.00 C ATOM 613 C GLY A 43 -6.967 5.497 -1.414 1.00 0.00 C ATOM 614 O GLY A 43 -7.386 6.024 -0.385 1.00 0.00 O ATOM 0 H GLY A 43 -7.163 5.143 -4.254 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.559 6.285 -2.804 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.832 7.402 -2.356 1.00 0.00 H new ATOM 618 N ILE A 44 -6.756 4.185 -1.499 1.00 0.00 N ATOM 619 CA ILE A 44 -7.023 3.320 -0.338 1.00 0.00 C ATOM 620 C ILE A 44 -6.005 3.532 0.768 1.00 0.00 C ATOM 621 O ILE A 44 -4.797 3.460 0.552 1.00 0.00 O ATOM 622 CB ILE A 44 -7.037 1.804 -0.642 1.00 0.00 C ATOM 623 CG1 ILE A 44 -7.715 1.036 0.506 1.00 0.00 C ATOM 624 CG2 ILE A 44 -5.618 1.272 -0.870 1.00 0.00 C ATOM 625 CD1 ILE A 44 -7.167 -0.358 0.746 1.00 0.00 C ATOM 0 H ILE A 44 -6.412 3.703 -2.330 1.00 0.00 H new ATOM 0 HA ILE A 44 -8.025 3.621 -0.033 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.607 1.649 -1.558 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.612 1.615 1.424 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -8.782 0.961 0.295 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -5.660 0.204 -1.082 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.166 1.792 -1.715 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.018 1.442 0.024 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -7.704 -0.823 1.573 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.295 -0.959 -0.154 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -6.107 -0.295 0.992 1.00 0.00 H new ATOM 637 N TYR A 45 -6.516 3.721 1.961 1.00 0.00 N ATOM 638 CA TYR A 45 -5.675 3.872 3.143 1.00 0.00 C ATOM 639 C TYR A 45 -6.072 2.821 4.156 1.00 0.00 C ATOM 640 O TYR A 45 -7.238 2.446 4.236 1.00 0.00 O ATOM 641 CB TYR A 45 -5.744 5.267 3.720 1.00 0.00 C ATOM 642 CG TYR A 45 -5.178 6.332 2.841 1.00 0.00 C ATOM 643 CD1 TYR A 45 -5.933 6.866 1.820 1.00 0.00 C ATOM 644 CD2 TYR A 45 -3.899 6.819 3.045 1.00 0.00 C ATOM 645 CE1 TYR A 45 -5.433 7.858 1.017 1.00 0.00 C ATOM 646 CE2 TYR A 45 -3.388 7.814 2.250 1.00 0.00 C ATOM 647 CZ TYR A 45 -4.157 8.335 1.232 1.00 0.00 C ATOM 648 OH TYR A 45 -3.653 9.333 0.431 1.00 0.00 O ATOM 0 H TYR A 45 -7.517 3.775 2.148 1.00 0.00 H new ATOM 0 HA TYR A 45 -4.633 3.725 2.859 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.786 5.506 3.934 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.212 5.279 4.672 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -6.934 6.498 1.650 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -3.294 6.410 3.841 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -6.036 8.265 0.219 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -2.389 8.187 2.421 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.016 9.874 0.944 1.00 0.00 H new ATOM 658 N VAL A 46 -5.097 2.244 4.841 1.00 0.00 N ATOM 659 CA VAL A 46 -5.399 1.132 5.707 1.00 0.00 C ATOM 660 C VAL A 46 -4.309 0.786 6.726 1.00 0.00 C ATOM 661 O VAL A 46 -3.299 1.476 6.825 1.00 0.00 O ATOM 662 CB VAL A 46 -5.528 -0.030 4.740 1.00 0.00 C ATOM 663 CG1 VAL A 46 -4.160 -0.545 4.352 1.00 0.00 C ATOM 664 CG2 VAL A 46 -6.460 -1.083 5.288 1.00 0.00 C ATOM 0 H VAL A 46 -4.116 2.523 4.812 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.278 1.364 6.309 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.991 0.309 3.814 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.268 -1.378 3.658 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.593 0.254 3.874 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.632 -0.882 5.244 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.537 -1.906 4.578 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -6.071 -1.456 6.235 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.447 -0.648 5.448 1.00 0.00 H new ATOM 674 N LYS A 47 -4.485 -0.369 7.408 1.00 0.00 N ATOM 675 CA LYS A 47 -3.455 -0.878 8.327 1.00 0.00 C ATOM 676 C LYS A 47 -2.601 -1.810 7.496 1.00 0.00 C ATOM 677 O LYS A 47 -1.444 -2.101 7.795 1.00 0.00 O ATOM 678 CB LYS A 47 -4.032 -1.628 9.540 1.00 0.00 C ATOM 679 CG LYS A 47 -4.552 -3.023 9.226 1.00 0.00 C ATOM 680 CD LYS A 47 -4.625 -3.879 10.482 1.00 0.00 C ATOM 681 CE LYS A 47 -4.687 -5.360 10.148 1.00 0.00 C ATOM 682 NZ LYS A 47 -5.236 -6.162 11.276 1.00 0.00 N ATOM 0 H LYS A 47 -5.318 -0.954 7.338 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.894 -0.045 8.751 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.260 -1.705 10.305 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.844 -1.038 9.965 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.541 -2.952 8.773 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.900 -3.501 8.495 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.754 -3.683 11.108 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.504 -3.599 11.063 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.306 -5.507 9.263 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -3.688 -5.718 9.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.057 -6.708 10.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.505 -6.814 11.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.529 -5.525 12.044 1.00 0.00 H new ATOM 696 N ALA A 48 -3.225 -2.203 6.392 1.00 0.00 N ATOM 697 CA ALA A 48 -2.678 -3.008 5.384 1.00 0.00 C ATOM 698 C ALA A 48 -2.726 -4.487 5.730 1.00 0.00 C ATOM 699 O ALA A 48 -3.728 -4.965 6.245 1.00 0.00 O ATOM 700 CB ALA A 48 -1.328 -2.479 5.094 1.00 0.00 C ATOM 0 H ALA A 48 -4.189 -1.933 6.194 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.274 -2.958 4.473 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.863 -3.078 4.311 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.407 -1.444 4.760 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.718 -2.524 5.996 1.00 0.00 H new ATOM 706 N VAL A 49 -1.690 -5.228 5.386 1.00 0.00 N ATOM 707 CA VAL A 49 -1.697 -6.650 5.571 1.00 0.00 C ATOM 708 C VAL A 49 -1.456 -7.183 6.958 1.00 0.00 C ATOM 709 O VAL A 49 -0.578 -6.753 7.706 1.00 0.00 O ATOM 710 CB VAL A 49 -0.687 -7.273 4.652 1.00 0.00 C ATOM 711 CG1 VAL A 49 -1.226 -7.249 3.252 1.00 0.00 C ATOM 712 CG2 VAL A 49 0.644 -6.569 4.763 1.00 0.00 C ATOM 0 H VAL A 49 -0.833 -4.858 4.975 1.00 0.00 H new ATOM 0 HA VAL A 49 -2.728 -6.924 5.349 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.513 -8.310 4.938 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.500 -7.699 2.575 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.158 -7.812 3.211 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.412 -6.218 2.951 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.361 -7.037 4.088 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.524 -5.520 4.494 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.009 -6.641 5.787 1.00 0.00 H new ATOM 722 N ILE A 50 -2.274 -8.190 7.229 1.00 0.00 N ATOM 723 CA ILE A 50 -2.268 -8.952 8.461 1.00 0.00 C ATOM 724 C ILE A 50 -0.842 -9.240 8.918 1.00 0.00 C ATOM 725 O ILE A 50 0.097 -9.162 8.127 1.00 0.00 O ATOM 726 CB ILE A 50 -3.024 -10.293 8.231 1.00 0.00 C ATOM 727 CG1 ILE A 50 -3.889 -10.648 9.442 1.00 0.00 C ATOM 728 CG2 ILE A 50 -2.069 -11.427 7.895 1.00 0.00 C ATOM 729 CD1 ILE A 50 -5.268 -11.149 9.072 1.00 0.00 C ATOM 0 H ILE A 50 -2.985 -8.507 6.570 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.763 -8.369 9.238 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.680 -10.154 7.372 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.380 -11.411 10.031 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.989 -9.768 10.078 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.635 -12.346 7.742 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.520 -11.183 6.986 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.366 -11.566 8.717 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.826 -11.382 9.979 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.796 -10.379 8.509 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.177 -12.047 8.462 1.00 0.00 H new ATOM 741 N PRO A 51 -0.657 -9.595 10.195 1.00 0.00 N ATOM 742 CA PRO A 51 0.657 -9.908 10.734 1.00 0.00 C ATOM 743 C PRO A 51 1.112 -11.306 10.376 1.00 0.00 C ATOM 744 O PRO A 51 2.304 -11.609 10.330 1.00 0.00 O ATOM 745 CB PRO A 51 0.475 -9.784 12.252 1.00 0.00 C ATOM 746 CG PRO A 51 -0.948 -9.368 12.471 1.00 0.00 C ATOM 747 CD PRO A 51 -1.694 -9.724 11.217 1.00 0.00 C ATOM 0 HA PRO A 51 1.420 -9.244 10.329 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.684 -10.732 12.748 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.164 -9.049 12.668 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -1.373 -9.880 13.334 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -1.013 -8.298 12.671 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -2.102 -10.734 11.258 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -2.531 -9.050 11.036 1.00 0.00 H new ATOM 755 N GLN A 52 0.139 -12.140 10.150 1.00 0.00 N ATOM 756 CA GLN A 52 0.375 -13.540 9.813 1.00 0.00 C ATOM 757 C GLN A 52 0.456 -13.779 8.308 1.00 0.00 C ATOM 758 O GLN A 52 0.353 -14.918 7.851 1.00 0.00 O ATOM 759 CB GLN A 52 -0.707 -14.428 10.428 1.00 0.00 C ATOM 760 CG GLN A 52 -2.095 -14.178 9.859 1.00 0.00 C ATOM 761 CD GLN A 52 -3.151 -15.064 10.490 1.00 0.00 C ATOM 762 OE1 GLN A 52 -2.942 -15.632 11.562 1.00 0.00 O ATOM 763 NE2 GLN A 52 -4.295 -15.185 9.827 1.00 0.00 N ATOM 0 H GLN A 52 -0.847 -11.882 10.191 1.00 0.00 H new ATOM 0 HA GLN A 52 1.346 -13.804 10.233 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.441 -15.473 10.269 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.730 -14.265 11.505 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -2.364 -13.133 10.012 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.079 -14.348 8.783 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.425 -14.696 8.941 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.043 -15.767 10.203 1.00 0.00 H new ATOM 772 N GLY A 53 0.665 -12.718 7.544 1.00 0.00 N ATOM 773 CA GLY A 53 0.785 -12.864 6.104 1.00 0.00 C ATOM 774 C GLY A 53 -0.494 -12.538 5.355 1.00 0.00 C ATOM 775 O GLY A 53 -0.772 -11.379 5.064 1.00 0.00 O ATOM 0 H GLY A 53 0.754 -11.763 7.890 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.583 -12.213 5.746 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.081 -13.887 5.874 1.00 0.00 H new ATOM 779 N ALA A 54 -1.277 -13.568 5.053 1.00 0.00 N ATOM 780 CA ALA A 54 -2.537 -13.411 4.343 1.00 0.00 C ATOM 781 C ALA A 54 -2.451 -12.365 3.214 1.00 0.00 C ATOM 782 O ALA A 54 -1.793 -12.621 2.206 1.00 0.00 O ATOM 783 CB ALA A 54 -3.621 -13.120 5.347 1.00 0.00 C ATOM 0 H ALA A 54 -1.055 -14.534 5.294 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.783 -14.340 3.829 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -4.573 -12.999 4.830 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -3.694 -13.947 6.054 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.382 -12.203 5.885 1.00 0.00 H new ATOM 789 N ALA A 55 -3.091 -11.189 3.357 1.00 0.00 N ATOM 790 CA ALA A 55 -3.021 -10.172 2.311 1.00 0.00 C ATOM 791 C ALA A 55 -1.572 -9.896 2.003 1.00 0.00 C ATOM 792 O ALA A 55 -1.179 -9.651 0.870 1.00 0.00 O ATOM 793 CB ALA A 55 -3.730 -8.897 2.724 1.00 0.00 C ATOM 0 H ALA A 55 -3.649 -10.930 4.171 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.528 -10.544 1.421 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.657 -8.164 1.921 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.780 -9.113 2.924 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.264 -8.497 3.624 1.00 0.00 H new ATOM 799 N GLU A 56 -0.794 -9.952 3.060 1.00 0.00 N ATOM 800 CA GLU A 56 0.645 -9.732 2.994 1.00 0.00 C ATOM 801 C GLU A 56 1.256 -10.711 1.993 1.00 0.00 C ATOM 802 O GLU A 56 2.210 -10.392 1.284 1.00 0.00 O ATOM 803 CB GLU A 56 1.248 -9.904 4.384 1.00 0.00 C ATOM 804 CG GLU A 56 2.617 -9.260 4.544 1.00 0.00 C ATOM 805 CD GLU A 56 2.804 -8.607 5.901 1.00 0.00 C ATOM 806 OE1 GLU A 56 1.788 -8.291 6.553 1.00 0.00 O ATOM 807 OE2 GLU A 56 3.967 -8.411 6.310 1.00 0.00 O ATOM 0 H GLU A 56 -1.138 -10.152 3.999 1.00 0.00 H new ATOM 0 HA GLU A 56 0.860 -8.718 2.656 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.568 -9.476 5.120 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.329 -10.968 4.605 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.388 -10.016 4.400 1.00 0.00 H new ATOM 0 HG3 GLU A 56 2.755 -8.512 3.764 1.00 0.00 H new ATOM 814 N SER A 57 0.633 -11.878 1.904 1.00 0.00 N ATOM 815 CA SER A 57 1.015 -12.911 0.954 1.00 0.00 C ATOM 816 C SER A 57 0.446 -12.484 -0.375 1.00 0.00 C ATOM 817 O SER A 57 1.117 -12.519 -1.406 1.00 0.00 O ATOM 818 CB SER A 57 0.462 -14.277 1.369 1.00 0.00 C ATOM 819 OG SER A 57 0.343 -14.372 2.778 1.00 0.00 O ATOM 0 H SER A 57 -0.158 -12.135 2.494 1.00 0.00 H new ATOM 0 HA SER A 57 2.098 -13.021 0.908 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.513 -14.434 0.907 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.119 -15.066 1.002 1.00 0.00 H new ATOM 0 HG SER A 57 -0.014 -15.253 3.018 1.00 0.00 H new ATOM 825 N ASP A 58 -0.784 -11.966 -0.307 1.00 0.00 N ATOM 826 CA ASP A 58 -1.435 -11.399 -1.463 1.00 0.00 C ATOM 827 C ASP A 58 -0.565 -10.244 -1.918 1.00 0.00 C ATOM 828 O ASP A 58 -0.609 -9.819 -3.072 1.00 0.00 O ATOM 829 CB ASP A 58 -2.844 -10.918 -1.103 1.00 0.00 C ATOM 830 CG ASP A 58 -3.470 -10.061 -2.177 1.00 0.00 C ATOM 831 OD1 ASP A 58 -3.315 -10.394 -3.371 1.00 0.00 O ATOM 832 OD2 ASP A 58 -4.118 -9.055 -1.821 1.00 0.00 O ATOM 0 H ASP A 58 -1.341 -11.934 0.547 1.00 0.00 H new ATOM 0 HA ASP A 58 -1.549 -12.136 -2.258 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.481 -11.783 -0.920 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.801 -10.351 -0.173 1.00 0.00 H new ATOM 837 N GLY A 59 0.225 -9.735 -0.966 1.00 0.00 N ATOM 838 CA GLY A 59 1.098 -8.621 -1.257 1.00 0.00 C ATOM 839 C GLY A 59 0.318 -7.352 -1.352 1.00 0.00 C ATOM 840 O GLY A 59 0.413 -6.634 -2.337 1.00 0.00 O ATOM 0 H GLY A 59 0.270 -10.078 -0.006 1.00 0.00 H new ATOM 0 HA2 GLY A 59 1.854 -8.532 -0.477 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.626 -8.801 -2.194 1.00 0.00 H new ATOM 844 N ARG A 60 -0.450 -7.080 -0.307 1.00 0.00 N ATOM 845 CA ARG A 60 -1.272 -5.889 -0.240 1.00 0.00 C ATOM 846 C ARG A 60 -0.766 -5.019 0.878 1.00 0.00 C ATOM 847 O ARG A 60 -1.520 -4.567 1.740 1.00 0.00 O ATOM 848 CB ARG A 60 -2.738 -6.274 -0.011 1.00 0.00 C ATOM 849 CG ARG A 60 -3.731 -5.239 -0.517 1.00 0.00 C ATOM 850 CD ARG A 60 -3.895 -4.094 0.469 1.00 0.00 C ATOM 851 NE ARG A 60 -2.937 -3.019 0.221 1.00 0.00 N ATOM 852 CZ ARG A 60 -3.085 -1.775 0.670 1.00 0.00 C ATOM 853 NH1 ARG A 60 -4.149 -1.444 1.391 1.00 0.00 N ATOM 854 NH2 ARG A 60 -2.166 -0.858 0.398 1.00 0.00 N ATOM 0 H ARG A 60 -0.518 -7.680 0.515 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.214 -5.340 -1.180 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.936 -7.225 -0.505 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.901 -6.429 1.056 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.393 -4.848 -1.477 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -4.697 -5.714 -0.688 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -4.909 -3.699 0.401 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -3.766 -4.468 1.485 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.105 -3.235 -0.329 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -4.859 -2.145 1.604 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.257 -0.489 1.732 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.346 -1.106 -0.155 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.279 0.095 0.742 1.00 0.00 H new ATOM 868 N ILE A 61 0.540 -4.835 0.877 1.00 0.00 N ATOM 869 CA ILE A 61 1.205 -4.102 1.860 1.00 0.00 C ATOM 870 C ILE A 61 1.229 -2.625 1.612 1.00 0.00 C ATOM 871 O ILE A 61 1.401 -2.160 0.486 1.00 0.00 O ATOM 872 CB ILE A 61 2.631 -4.575 1.976 1.00 0.00 C ATOM 873 CG1 ILE A 61 3.234 -5.016 0.631 1.00 0.00 C ATOM 874 CG2 ILE A 61 2.696 -5.699 2.980 1.00 0.00 C ATOM 875 CD1 ILE A 61 3.105 -3.983 -0.469 1.00 0.00 C ATOM 0 H ILE A 61 1.157 -5.214 0.159 1.00 0.00 H new ATOM 0 HA ILE A 61 0.643 -4.272 2.778 1.00 0.00 H new ATOM 0 HB ILE A 61 3.233 -3.730 2.312 1.00 0.00 H new ATOM 0 HG12 ILE A 61 4.289 -5.248 0.776 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.746 -5.937 0.310 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.725 -6.047 3.070 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.348 -5.342 3.949 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.062 -6.521 2.647 1.00 0.00 H new ATOM 0 HD11 ILE A 61 3.554 -4.368 -1.385 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.051 -3.768 -0.644 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.618 -3.068 -0.171 1.00 0.00 H new ATOM 887 N HIS A 62 1.097 -1.921 2.714 1.00 0.00 N ATOM 888 CA HIS A 62 1.137 -0.483 2.771 1.00 0.00 C ATOM 889 C HIS A 62 -0.082 0.039 3.502 1.00 0.00 C ATOM 890 O HIS A 62 -1.185 0.071 2.957 1.00 0.00 O ATOM 891 CB HIS A 62 1.241 0.191 1.407 1.00 0.00 C ATOM 892 CG HIS A 62 2.619 0.132 0.823 1.00 0.00 C ATOM 893 ND1 HIS A 62 3.758 0.370 1.562 1.00 0.00 N ATOM 894 CD2 HIS A 62 3.039 -0.147 -0.432 1.00 0.00 C ATOM 895 CE1 HIS A 62 4.819 0.242 0.786 1.00 0.00 C ATOM 896 NE2 HIS A 62 4.411 -0.072 -0.431 1.00 0.00 N ATOM 0 H HIS A 62 0.954 -2.353 3.627 1.00 0.00 H new ATOM 0 HA HIS A 62 2.050 -0.230 3.310 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.541 -0.285 0.720 1.00 0.00 H new ATOM 0 HB3 HIS A 62 0.937 1.234 1.500 1.00 0.00 H new ATOM 0 HD1 HIS A 62 3.778 0.608 2.554 1.00 0.00 H new ATOM 0 HD2 HIS A 62 2.412 -0.385 -1.279 1.00 0.00 H new ATOM 0 HE1 HIS A 62 5.846 0.372 1.094 1.00 0.00 H new ATOM 905 N LYS A 63 0.127 0.450 4.733 1.00 0.00 N ATOM 906 CA LYS A 63 -0.952 0.982 5.546 1.00 0.00 C ATOM 907 C LYS A 63 -1.156 2.439 5.213 1.00 0.00 C ATOM 908 O LYS A 63 -0.302 3.271 5.528 1.00 0.00 O ATOM 909 CB LYS A 63 -0.623 0.832 7.030 1.00 0.00 C ATOM 910 CG LYS A 63 0.767 1.327 7.398 1.00 0.00 C ATOM 911 CD LYS A 63 1.708 0.174 7.708 1.00 0.00 C ATOM 912 CE LYS A 63 2.635 0.508 8.866 1.00 0.00 C ATOM 913 NZ LYS A 63 1.880 0.949 10.072 1.00 0.00 N ATOM 0 H LYS A 63 1.035 0.427 5.197 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.865 0.426 5.334 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.362 1.380 7.615 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.711 -0.218 7.309 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.173 1.918 6.577 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.702 1.987 8.263 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.127 -0.716 7.950 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.299 -0.062 6.823 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.236 -0.367 9.114 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.326 1.294 8.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 2.393 0.657 10.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.784 1.984 10.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 0.936 0.513 10.069 1.00 0.00 H new ATOM 927 N GLY A 64 -2.267 2.767 4.564 1.00 0.00 N ATOM 928 CA GLY A 64 -2.472 4.155 4.216 1.00 0.00 C ATOM 929 C GLY A 64 -1.668 4.540 3.007 1.00 0.00 C ATOM 930 O GLY A 64 -0.444 4.642 3.063 1.00 0.00 O ATOM 0 H GLY A 64 -3.004 2.121 4.282 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -3.530 4.331 4.023 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.192 4.788 5.058 1.00 0.00 H new ATOM 934 N ASP A 65 -2.364 4.721 1.905 1.00 0.00 N ATOM 935 CA ASP A 65 -1.724 5.072 0.637 1.00 0.00 C ATOM 936 C ASP A 65 -2.772 5.335 -0.436 1.00 0.00 C ATOM 937 O ASP A 65 -3.954 5.441 -0.113 1.00 0.00 O ATOM 938 CB ASP A 65 -0.809 3.936 0.229 1.00 0.00 C ATOM 939 CG ASP A 65 0.649 4.348 0.195 1.00 0.00 C ATOM 940 OD1 ASP A 65 0.967 5.350 -0.478 1.00 0.00 O ATOM 941 OD2 ASP A 65 1.474 3.667 0.841 1.00 0.00 O ATOM 0 H ASP A 65 -3.379 4.632 1.853 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.141 5.985 0.757 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.933 3.106 0.925 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.103 3.572 -0.755 1.00 0.00 H new ATOM 946 N ARG A 66 -2.372 5.469 -1.712 1.00 0.00 N ATOM 947 CA ARG A 66 -3.384 5.733 -2.729 1.00 0.00 C ATOM 948 C ARG A 66 -3.347 4.829 -3.971 1.00 0.00 C ATOM 949 O ARG A 66 -2.491 4.952 -4.840 1.00 0.00 O ATOM 950 CB ARG A 66 -3.294 7.193 -3.174 1.00 0.00 C ATOM 951 CG ARG A 66 -3.349 8.186 -2.024 1.00 0.00 C ATOM 952 CD ARG A 66 -2.093 9.040 -1.965 1.00 0.00 C ATOM 953 NE ARG A 66 -2.212 10.247 -2.780 1.00 0.00 N ATOM 954 CZ ARG A 66 -3.068 11.234 -2.524 1.00 0.00 C ATOM 955 NH1 ARG A 66 -3.881 11.161 -1.478 1.00 0.00 N ATOM 956 NH2 ARG A 66 -3.110 12.297 -3.316 1.00 0.00 N ATOM 0 H ARG A 66 -1.410 5.403 -2.044 1.00 0.00 H new ATOM 0 HA ARG A 66 -4.331 5.507 -2.239 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -2.365 7.339 -3.725 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -4.111 7.404 -3.864 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -4.222 8.829 -2.138 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.469 7.649 -1.083 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.893 9.319 -0.931 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.240 8.454 -2.307 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.603 10.339 -3.593 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -3.852 10.346 -0.865 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -4.535 11.920 -1.286 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -2.487 12.358 -4.121 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -3.766 13.053 -3.120 1.00 0.00 H new ATOM 970 N VAL A 67 -4.346 3.961 -4.040 1.00 0.00 N ATOM 971 CA VAL A 67 -4.588 3.047 -5.087 1.00 0.00 C ATOM 972 C VAL A 67 -5.272 3.601 -6.291 1.00 0.00 C ATOM 973 O VAL A 67 -6.230 4.369 -6.207 1.00 0.00 O ATOM 974 CB VAL A 67 -5.457 1.906 -4.621 1.00 0.00 C ATOM 975 CG1 VAL A 67 -4.563 0.783 -4.378 1.00 0.00 C ATOM 976 CG2 VAL A 67 -6.260 2.232 -3.404 1.00 0.00 C ATOM 0 H VAL A 67 -5.045 3.892 -3.300 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.581 2.741 -5.371 1.00 0.00 H new ATOM 0 HB VAL A 67 -6.199 1.675 -5.385 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -5.142 -0.075 -4.037 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.042 0.526 -5.301 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.835 1.056 -3.615 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -6.862 1.368 -3.123 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.590 2.489 -2.584 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.915 3.077 -3.616 1.00 0.00 H new ATOM 986 N LEU A 68 -4.822 3.099 -7.413 1.00 0.00 N ATOM 987 CA LEU A 68 -5.447 3.435 -8.659 1.00 0.00 C ATOM 988 C LEU A 68 -6.658 2.518 -8.820 1.00 0.00 C ATOM 989 O LEU A 68 -7.766 2.984 -9.085 1.00 0.00 O ATOM 990 CB LEU A 68 -4.481 3.294 -9.844 1.00 0.00 C ATOM 991 CG LEU A 68 -3.643 2.014 -9.882 1.00 0.00 C ATOM 992 CD1 LEU A 68 -3.355 1.610 -11.322 1.00 0.00 C ATOM 993 CD2 LEU A 68 -2.346 2.204 -9.110 1.00 0.00 C ATOM 0 H LEU A 68 -4.030 2.460 -7.486 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.754 4.481 -8.650 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -5.059 3.353 -10.766 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -3.803 4.148 -9.837 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.211 1.214 -9.407 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.758 0.698 -11.332 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.295 1.434 -11.845 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -2.806 2.408 -11.821 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.762 1.284 -9.147 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.772 3.016 -9.557 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -2.573 2.448 -8.072 1.00 0.00 H new ATOM 1005 N ALA A 69 -6.451 1.207 -8.602 1.00 0.00 N ATOM 1006 CA ALA A 69 -7.535 0.243 -8.668 1.00 0.00 C ATOM 1007 C ALA A 69 -7.453 -0.682 -7.472 1.00 0.00 C ATOM 1008 O ALA A 69 -6.366 -0.927 -6.978 1.00 0.00 O ATOM 1009 CB ALA A 69 -7.483 -0.544 -9.968 1.00 0.00 C ATOM 0 H ALA A 69 -5.541 0.803 -8.380 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.487 0.773 -8.646 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -8.305 -1.259 -9.993 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.571 0.141 -10.812 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.535 -1.078 -10.032 1.00 0.00 H new ATOM 1015 N VAL A 70 -8.577 -1.220 -7.043 1.00 0.00 N ATOM 1016 CA VAL A 70 -8.601 -2.160 -5.940 1.00 0.00 C ATOM 1017 C VAL A 70 -9.263 -3.445 -6.401 1.00 0.00 C ATOM 1018 O VAL A 70 -10.193 -3.417 -7.204 1.00 0.00 O ATOM 1019 CB VAL A 70 -9.335 -1.597 -4.727 1.00 0.00 C ATOM 1020 CG1 VAL A 70 -10.774 -1.387 -5.095 1.00 0.00 C ATOM 1021 CG2 VAL A 70 -9.206 -2.528 -3.530 1.00 0.00 C ATOM 0 H VAL A 70 -9.493 -1.020 -7.445 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.574 -2.355 -5.632 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.889 -0.645 -4.439 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -11.314 -0.984 -4.238 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.838 -0.685 -5.927 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -11.217 -2.339 -5.388 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -9.738 -2.103 -2.679 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -9.634 -3.500 -3.777 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.153 -2.649 -3.275 1.00 0.00 H new ATOM 1031 N ASN A 71 -8.769 -4.560 -5.907 1.00 0.00 N ATOM 1032 CA ASN A 71 -9.283 -5.871 -6.282 1.00 0.00 C ATOM 1033 C ASN A 71 -9.505 -5.961 -7.787 1.00 0.00 C ATOM 1034 O ASN A 71 -10.235 -6.831 -8.264 1.00 0.00 O ATOM 1035 CB ASN A 71 -10.592 -6.126 -5.578 1.00 0.00 C ATOM 1036 CG ASN A 71 -10.958 -7.597 -5.531 1.00 0.00 C ATOM 1037 OD1 ASN A 71 -11.715 -7.988 -4.511 1.00 0.00 O flip ATOM 1038 ND2 ASN A 71 -10.565 -8.376 -6.398 1.00 0.00 N flip ATOM 0 H ASN A 71 -8.002 -4.589 -5.236 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.547 -6.619 -5.989 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.534 -5.738 -4.561 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -11.385 -5.575 -6.084 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -9.985 -8.035 -7.165 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.819 -9.363 -6.350 1.00 0.00 H new ATOM 1045 N GLY A 72 -8.887 -5.054 -8.531 1.00 0.00 N ATOM 1046 CA GLY A 72 -9.058 -5.063 -9.974 1.00 0.00 C ATOM 1047 C GLY A 72 -9.952 -3.947 -10.469 1.00 0.00 C ATOM 1048 O GLY A 72 -9.809 -3.502 -11.608 1.00 0.00 O ATOM 0 H GLY A 72 -8.278 -4.320 -8.170 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -8.082 -4.978 -10.451 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.479 -6.021 -10.279 1.00 0.00 H new ATOM 1052 N VAL A 73 -10.854 -3.459 -9.618 1.00 0.00 N ATOM 1053 CA VAL A 73 -11.716 -2.360 -10.017 1.00 0.00 C ATOM 1054 C VAL A 73 -10.988 -1.069 -9.731 1.00 0.00 C ATOM 1055 O VAL A 73 -10.298 -0.963 -8.731 1.00 0.00 O ATOM 1056 CB VAL A 73 -13.108 -2.348 -9.304 1.00 0.00 C ATOM 1057 CG1 VAL A 73 -13.913 -1.120 -9.714 1.00 0.00 C ATOM 1058 CG2 VAL A 73 -13.874 -3.624 -9.622 1.00 0.00 C ATOM 0 H VAL A 73 -11.002 -3.802 -8.669 1.00 0.00 H new ATOM 0 HA VAL A 73 -11.930 -2.483 -11.079 1.00 0.00 H new ATOM 0 HB VAL A 73 -12.945 -2.301 -8.227 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -14.878 -1.131 -9.207 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -13.368 -0.218 -9.436 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -14.070 -1.131 -10.793 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -14.841 -3.603 -9.119 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -14.026 -3.698 -10.699 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -13.304 -4.486 -9.276 1.00 0.00 H new ATOM 1068 N SER A 74 -11.132 -0.086 -10.592 1.00 0.00 N ATOM 1069 CA SER A 74 -10.454 1.173 -10.365 1.00 0.00 C ATOM 1070 C SER A 74 -11.250 1.930 -9.333 1.00 0.00 C ATOM 1071 O SER A 74 -12.419 2.242 -9.565 1.00 0.00 O ATOM 1072 CB SER A 74 -10.352 1.979 -11.661 1.00 0.00 C ATOM 1073 OG SER A 74 -11.435 1.690 -12.528 1.00 0.00 O ATOM 0 H SER A 74 -11.699 -0.129 -11.439 1.00 0.00 H new ATOM 0 HA SER A 74 -9.436 0.998 -10.015 1.00 0.00 H new ATOM 0 HB2 SER A 74 -10.341 3.044 -11.430 1.00 0.00 H new ATOM 0 HB3 SER A 74 -9.411 1.751 -12.161 1.00 0.00 H new ATOM 0 HG SER A 74 -11.348 2.219 -13.348 1.00 0.00 H new ATOM 1079 N LEU A 75 -10.646 2.226 -8.179 1.00 0.00 N ATOM 1080 CA LEU A 75 -11.365 2.918 -7.182 1.00 0.00 C ATOM 1081 C LEU A 75 -11.023 4.357 -7.311 1.00 0.00 C ATOM 1082 O LEU A 75 -10.247 4.901 -6.544 1.00 0.00 O ATOM 1083 CB LEU A 75 -10.989 2.403 -5.802 1.00 0.00 C ATOM 1084 CG LEU A 75 -9.528 2.632 -5.433 1.00 0.00 C ATOM 1085 CD1 LEU A 75 -9.397 2.975 -3.957 1.00 0.00 C ATOM 1086 CD2 LEU A 75 -8.690 1.414 -5.781 1.00 0.00 C ATOM 0 H LEU A 75 -9.682 1.991 -7.943 1.00 0.00 H new ATOM 0 HA LEU A 75 -12.437 2.766 -7.306 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -11.621 2.889 -5.059 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -11.203 1.335 -5.753 1.00 0.00 H new ATOM 0 HG LEU A 75 -9.155 3.476 -6.013 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -8.347 3.135 -3.712 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -9.962 3.882 -3.743 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.788 2.154 -3.357 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -7.650 1.598 -5.510 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.061 0.548 -5.232 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -8.757 1.220 -6.852 1.00 0.00 H new ATOM 1098 N GLU A 76 -11.615 4.976 -8.282 1.00 0.00 N ATOM 1099 CA GLU A 76 -11.358 6.361 -8.502 1.00 0.00 C ATOM 1100 C GLU A 76 -12.400 7.175 -7.752 1.00 0.00 C ATOM 1101 O GLU A 76 -12.873 8.204 -8.232 1.00 0.00 O ATOM 1102 CB GLU A 76 -11.374 6.692 -9.996 1.00 0.00 C ATOM 1103 CG GLU A 76 -10.017 7.107 -10.541 1.00 0.00 C ATOM 1104 CD GLU A 76 -9.159 5.920 -10.934 1.00 0.00 C ATOM 1105 OE1 GLU A 76 -9.349 4.831 -10.352 1.00 0.00 O ATOM 1106 OE2 GLU A 76 -8.298 6.079 -11.826 1.00 0.00 O ATOM 0 H GLU A 76 -12.275 4.547 -8.931 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.364 6.610 -8.129 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -11.728 5.822 -10.549 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.089 7.495 -10.174 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -10.160 7.751 -11.409 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -9.492 7.697 -9.789 1.00 0.00 H new ATOM 1113 N GLY A 77 -12.786 6.666 -6.583 1.00 0.00 N ATOM 1114 CA GLY A 77 -13.799 7.300 -5.790 1.00 0.00 C ATOM 1115 C GLY A 77 -15.088 6.517 -5.859 1.00 0.00 C ATOM 1116 O GLY A 77 -16.139 6.976 -5.411 1.00 0.00 O ATOM 0 H GLY A 77 -12.402 5.813 -6.176 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -13.466 7.374 -4.755 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.964 8.317 -6.145 1.00 0.00 H new ATOM 1120 N ALA A 78 -14.989 5.317 -6.424 1.00 0.00 N ATOM 1121 CA ALA A 78 -16.126 4.435 -6.561 1.00 0.00 C ATOM 1122 C ALA A 78 -16.406 3.739 -5.253 1.00 0.00 C ATOM 1123 O ALA A 78 -17.535 3.790 -4.768 1.00 0.00 O ATOM 1124 CB ALA A 78 -15.883 3.419 -7.665 1.00 0.00 C ATOM 0 H ALA A 78 -14.119 4.937 -6.796 1.00 0.00 H new ATOM 0 HA ALA A 78 -16.998 5.031 -6.831 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -16.749 2.764 -7.754 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -15.723 3.939 -8.609 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -15.002 2.825 -7.425 1.00 0.00 H new ATOM 1130 N THR A 79 -15.389 3.077 -4.674 1.00 0.00 N ATOM 1131 CA THR A 79 -15.568 2.375 -3.435 1.00 0.00 C ATOM 1132 C THR A 79 -16.984 2.067 -3.190 1.00 0.00 C ATOM 1133 O THR A 79 -17.479 1.085 -3.726 1.00 0.00 O ATOM 1134 CB THR A 79 -14.983 3.123 -2.264 1.00 0.00 C ATOM 1135 OG1 THR A 79 -14.790 4.496 -2.552 1.00 0.00 O ATOM 1136 CG2 THR A 79 -13.700 2.525 -1.916 1.00 0.00 C ATOM 0 H THR A 79 -14.446 3.026 -5.059 1.00 0.00 H new ATOM 0 HA THR A 79 -15.023 1.436 -3.532 1.00 0.00 H new ATOM 0 HB THR A 79 -15.686 3.052 -1.434 1.00 0.00 H new ATOM 0 HG1 THR A 79 -14.882 5.019 -1.728 1.00 0.00 H new ATOM 0 HG21 THR A 79 -13.268 3.059 -1.070 1.00 0.00 H new ATOM 0 HG22 THR A 79 -13.847 1.479 -1.649 1.00 0.00 H new ATOM 0 HG23 THR A 79 -13.025 2.590 -2.769 1.00 0.00 H new ATOM 1144 N HIS A 80 -17.620 2.893 -2.368 1.00 0.00 N ATOM 1145 CA HIS A 80 -19.006 2.680 -2.034 1.00 0.00 C ATOM 1146 C HIS A 80 -19.375 1.246 -2.394 1.00 0.00 C ATOM 1147 O HIS A 80 -19.385 0.366 -1.536 1.00 0.00 O ATOM 1148 CB HIS A 80 -19.877 3.729 -2.736 1.00 0.00 C ATOM 1149 CG HIS A 80 -21.275 3.295 -2.999 1.00 0.00 C ATOM 1150 ND1 HIS A 80 -21.767 2.606 -4.030 1.00 0.00 N flip ATOM 1151 CD2 HIS A 80 -22.340 3.568 -2.168 1.00 0.00 C flip ATOM 1152 CE1 HIS A 80 -23.118 2.462 -3.829 1.00 0.00 C flip ATOM 1153 NE2 HIS A 80 -23.439 3.054 -2.692 1.00 0.00 N flip ATOM 0 H HIS A 80 -17.194 3.709 -1.928 1.00 0.00 H new ATOM 0 HA HIS A 80 -19.181 2.806 -0.966 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -19.899 4.632 -2.125 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -19.409 3.996 -3.683 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -22.285 4.114 -1.238 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -23.803 1.951 -4.489 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -24.374 3.105 -2.288 1.00 0.00 H new ATOM 1162 N LYS A 81 -19.629 1.000 -3.664 1.00 0.00 N ATOM 1163 CA LYS A 81 -19.915 -0.349 -4.110 1.00 0.00 C ATOM 1164 C LYS A 81 -18.660 -1.205 -4.385 1.00 0.00 C ATOM 1165 O LYS A 81 -18.447 -2.259 -3.791 1.00 0.00 O ATOM 1166 CB LYS A 81 -20.781 -0.302 -5.369 1.00 0.00 C ATOM 1167 CG LYS A 81 -21.251 -1.670 -5.835 1.00 0.00 C ATOM 1168 CD LYS A 81 -21.387 -1.727 -7.348 1.00 0.00 C ATOM 1169 CE LYS A 81 -22.171 -2.952 -7.791 1.00 0.00 C ATOM 1170 NZ LYS A 81 -23.599 -2.630 -8.059 1.00 0.00 N ATOM 0 H LYS A 81 -19.643 1.708 -4.398 1.00 0.00 H new ATOM 0 HA LYS A 81 -20.441 -0.832 -3.287 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -21.651 0.326 -5.178 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -20.215 0.172 -6.172 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -20.545 -2.431 -5.503 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -22.211 -1.903 -5.373 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -21.886 -0.826 -7.704 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -20.397 -1.743 -7.803 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -21.717 -3.367 -8.691 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -22.111 -3.720 -7.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -24.099 -3.491 -8.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -24.039 -2.257 -7.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -23.658 -1.916 -8.813 1.00 0.00 H new ATOM 1184 N GLN A 82 -17.866 -0.740 -5.360 1.00 0.00 N ATOM 1185 CA GLN A 82 -16.695 -1.480 -5.865 1.00 0.00 C ATOM 1186 C GLN A 82 -15.487 -1.590 -4.986 1.00 0.00 C ATOM 1187 O GLN A 82 -14.976 -2.683 -4.782 1.00 0.00 O ATOM 1188 CB GLN A 82 -16.189 -0.815 -7.151 1.00 0.00 C ATOM 1189 CG GLN A 82 -17.300 -0.432 -8.106 1.00 0.00 C ATOM 1190 CD GLN A 82 -16.797 -0.017 -9.474 1.00 0.00 C ATOM 1191 OE1 GLN A 82 -15.825 0.887 -9.498 1.00 0.00 O flip ATOM 1192 NE2 GLN A 82 -17.276 -0.504 -10.498 1.00 0.00 N flip ATOM 0 H GLN A 82 -18.015 0.157 -5.821 1.00 0.00 H new ATOM 0 HA GLN A 82 -17.095 -2.488 -5.971 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -15.620 0.077 -6.890 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -15.503 -1.494 -7.657 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -17.981 -1.276 -8.217 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -17.875 0.387 -7.674 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -18.022 -1.196 -10.433 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -16.927 -0.215 -11.412 1.00 0.00 H new ATOM 1201 N ALA A 83 -14.960 -0.478 -4.554 1.00 0.00 N ATOM 1202 CA ALA A 83 -13.712 -0.565 -3.805 1.00 0.00 C ATOM 1203 C ALA A 83 -13.872 -1.029 -2.404 1.00 0.00 C ATOM 1204 O ALA A 83 -13.208 -1.964 -1.965 1.00 0.00 O ATOM 1205 CB ALA A 83 -12.873 0.701 -3.917 1.00 0.00 C ATOM 0 H ALA A 83 -15.341 0.458 -4.691 1.00 0.00 H new ATOM 0 HA ALA A 83 -13.146 -1.358 -4.294 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -11.956 0.582 -3.341 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -12.624 0.881 -4.963 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -13.438 1.548 -3.528 1.00 0.00 H new ATOM 1211 N VAL A 84 -14.768 -0.420 -1.722 1.00 0.00 N ATOM 1212 CA VAL A 84 -15.008 -0.786 -0.357 1.00 0.00 C ATOM 1213 C VAL A 84 -15.499 -2.208 -0.290 1.00 0.00 C ATOM 1214 O VAL A 84 -15.032 -3.010 0.523 1.00 0.00 O ATOM 1215 CB VAL A 84 -16.010 0.158 0.334 1.00 0.00 C ATOM 1216 CG1 VAL A 84 -16.972 0.728 -0.676 1.00 0.00 C ATOM 1217 CG2 VAL A 84 -16.772 -0.564 1.431 1.00 0.00 C ATOM 0 H VAL A 84 -15.354 0.336 -2.077 1.00 0.00 H new ATOM 0 HA VAL A 84 -14.063 -0.697 0.179 1.00 0.00 H new ATOM 0 HB VAL A 84 -15.448 0.973 0.789 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -17.675 1.393 -0.174 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -16.419 1.287 -1.430 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -17.520 -0.084 -1.155 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -17.472 0.126 1.902 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -17.321 -1.402 1.002 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -16.070 -0.935 2.178 1.00 0.00 H new ATOM 1227 N GLU A 85 -16.435 -2.520 -1.163 1.00 0.00 N ATOM 1228 CA GLU A 85 -16.971 -3.867 -1.198 1.00 0.00 C ATOM 1229 C GLU A 85 -15.913 -4.858 -1.580 1.00 0.00 C ATOM 1230 O GLU A 85 -15.956 -6.015 -1.168 1.00 0.00 O ATOM 1231 CB GLU A 85 -18.044 -4.000 -2.242 1.00 0.00 C ATOM 1232 CG GLU A 85 -18.968 -5.180 -2.010 1.00 0.00 C ATOM 1233 CD GLU A 85 -20.108 -5.234 -3.007 1.00 0.00 C ATOM 1234 OE1 GLU A 85 -19.842 -5.116 -4.221 1.00 0.00 O ATOM 1235 OE2 GLU A 85 -21.269 -5.394 -2.573 1.00 0.00 O ATOM 0 H GLU A 85 -16.834 -1.875 -1.845 1.00 0.00 H new ATOM 0 HA GLU A 85 -17.361 -4.061 -0.199 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -18.635 -3.084 -2.264 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -17.577 -4.101 -3.222 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -18.393 -6.104 -2.071 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -19.376 -5.124 -1.001 1.00 0.00 H new ATOM 1242 N THR A 86 -14.999 -4.426 -2.434 1.00 0.00 N ATOM 1243 CA THR A 86 -14.000 -5.336 -2.922 1.00 0.00 C ATOM 1244 C THR A 86 -12.941 -5.642 -1.871 1.00 0.00 C ATOM 1245 O THR A 86 -12.505 -6.785 -1.743 1.00 0.00 O ATOM 1246 CB THR A 86 -13.397 -4.836 -4.236 1.00 0.00 C ATOM 1247 OG1 THR A 86 -13.092 -5.929 -5.075 1.00 0.00 O ATOM 1248 CG2 THR A 86 -12.145 -3.998 -4.081 1.00 0.00 C ATOM 0 H THR A 86 -14.935 -3.473 -2.791 1.00 0.00 H new ATOM 0 HA THR A 86 -14.492 -6.285 -3.135 1.00 0.00 H new ATOM 0 HB THR A 86 -14.161 -4.190 -4.668 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.925 -6.725 -4.528 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.790 -3.689 -5.064 1.00 0.00 H new ATOM 0 HG22 THR A 86 -12.370 -3.115 -3.482 1.00 0.00 H new ATOM 0 HG23 THR A 86 -11.373 -4.586 -3.585 1.00 0.00 H new ATOM 1256 N LEU A 87 -12.556 -4.636 -1.094 1.00 0.00 N ATOM 1257 CA LEU A 87 -11.576 -4.846 -0.029 1.00 0.00 C ATOM 1258 C LEU A 87 -12.135 -5.862 0.948 1.00 0.00 C ATOM 1259 O LEU A 87 -11.425 -6.719 1.470 1.00 0.00 O ATOM 1260 CB LEU A 87 -11.271 -3.541 0.706 1.00 0.00 C ATOM 1261 CG LEU A 87 -11.020 -2.345 -0.202 1.00 0.00 C ATOM 1262 CD1 LEU A 87 -11.620 -1.081 0.394 1.00 0.00 C ATOM 1263 CD2 LEU A 87 -9.530 -2.167 -0.451 1.00 0.00 C ATOM 0 H LEU A 87 -12.900 -3.679 -1.177 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.647 -5.208 -0.469 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -12.105 -3.309 1.368 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -10.395 -3.691 1.337 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.507 -2.534 -1.159 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -11.429 -0.239 -0.271 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.695 -1.211 0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -11.166 -0.886 1.366 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.370 -1.307 -1.102 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.019 -2.003 0.498 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.131 -3.062 -0.928 1.00 0.00 H new ATOM 1275 N ARG A 88 -13.436 -5.747 1.165 1.00 0.00 N ATOM 1276 CA ARG A 88 -14.160 -6.641 2.057 1.00 0.00 C ATOM 1277 C ARG A 88 -14.407 -7.983 1.420 1.00 0.00 C ATOM 1278 O ARG A 88 -14.499 -8.995 2.116 1.00 0.00 O ATOM 1279 CB ARG A 88 -15.488 -6.012 2.482 1.00 0.00 C ATOM 1280 CG ARG A 88 -15.998 -6.513 3.823 1.00 0.00 C ATOM 1281 CD ARG A 88 -17.400 -6.002 4.112 1.00 0.00 C ATOM 1282 NE ARG A 88 -17.884 -6.440 5.419 1.00 0.00 N ATOM 1283 CZ ARG A 88 -17.422 -5.971 6.576 1.00 0.00 C ATOM 1284 NH1 ARG A 88 -16.467 -5.050 6.592 1.00 0.00 N ATOM 1285 NH2 ARG A 88 -17.919 -6.423 7.719 1.00 0.00 N ATOM 0 H ARG A 88 -14.019 -5.033 0.729 1.00 0.00 H new ATOM 0 HA ARG A 88 -13.538 -6.797 2.938 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -15.369 -4.930 2.530 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -16.238 -6.217 1.718 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -15.998 -7.603 3.829 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -15.322 -6.190 4.614 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -17.405 -4.913 4.070 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -18.081 -6.354 3.337 1.00 0.00 H new ATOM 0 HE ARG A 88 -18.619 -7.147 5.447 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -16.083 -4.698 5.715 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -16.117 -4.694 7.481 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -18.655 -7.129 7.711 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -17.566 -6.064 8.606 1.00 0.00 H new ATOM 1299 N ASN A 89 -14.555 -8.003 0.109 1.00 0.00 N ATOM 1300 CA ASN A 89 -14.835 -9.244 -0.558 1.00 0.00 C ATOM 1301 C ASN A 89 -13.597 -9.895 -1.156 1.00 0.00 C ATOM 1302 O ASN A 89 -13.664 -11.002 -1.692 1.00 0.00 O ATOM 1303 CB ASN A 89 -15.884 -9.010 -1.626 1.00 0.00 C ATOM 1304 CG ASN A 89 -17.254 -9.518 -1.224 1.00 0.00 C ATOM 1305 OD1 ASN A 89 -17.963 -8.880 -0.445 1.00 0.00 O ATOM 1306 ND2 ASN A 89 -17.637 -10.674 -1.754 1.00 0.00 N ATOM 0 H ASN A 89 -14.486 -7.187 -0.499 1.00 0.00 H new ATOM 0 HA ASN A 89 -15.209 -9.942 0.191 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -15.946 -7.943 -1.841 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -15.574 -9.503 -2.547 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -18.549 -11.065 -1.520 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -17.019 -11.171 -2.395 1.00 0.00 H new ATOM 1313 N THR A 90 -12.480 -9.209 -1.054 1.00 0.00 N ATOM 1314 CA THR A 90 -11.208 -9.706 -1.569 1.00 0.00 C ATOM 1315 C THR A 90 -10.997 -11.165 -1.184 1.00 0.00 C ATOM 1316 O THR A 90 -11.781 -11.740 -0.429 1.00 0.00 O ATOM 1317 CB THR A 90 -10.050 -8.874 -1.022 1.00 0.00 C ATOM 1318 OG1 THR A 90 -10.268 -8.543 0.338 1.00 0.00 O ATOM 1319 CG2 THR A 90 -9.829 -7.587 -1.778 1.00 0.00 C ATOM 0 H THR A 90 -12.420 -8.291 -0.613 1.00 0.00 H new ATOM 0 HA THR A 90 -11.236 -9.625 -2.656 1.00 0.00 H new ATOM 0 HB THR A 90 -9.165 -9.500 -1.139 1.00 0.00 H new ATOM 0 HG1 THR A 90 -10.524 -7.600 0.408 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.992 -7.045 -1.337 1.00 0.00 H new ATOM 0 HG22 THR A 90 -9.607 -7.811 -2.821 1.00 0.00 H new ATOM 0 HG23 THR A 90 -10.728 -6.973 -1.722 1.00 0.00 H new ATOM 1327 N GLY A 91 -9.926 -11.753 -1.688 1.00 0.00 N ATOM 1328 CA GLY A 91 -9.636 -13.135 -1.360 1.00 0.00 C ATOM 1329 C GLY A 91 -9.930 -14.099 -2.495 1.00 0.00 C ATOM 1330 O GLY A 91 -9.005 -14.692 -3.049 1.00 0.00 O ATOM 0 H GLY A 91 -9.256 -11.305 -2.313 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -8.586 -13.222 -1.082 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -10.221 -13.424 -0.487 1.00 0.00 H new ATOM 1334 N GLN A 92 -11.217 -14.262 -2.846 1.00 0.00 N ATOM 1335 CA GLN A 92 -11.617 -15.169 -3.935 1.00 0.00 C ATOM 1336 C GLN A 92 -10.530 -15.210 -4.999 1.00 0.00 C ATOM 1337 O GLN A 92 -10.147 -16.271 -5.492 1.00 0.00 O ATOM 1338 CB GLN A 92 -12.941 -14.713 -4.552 1.00 0.00 C ATOM 1339 CG GLN A 92 -12.868 -13.342 -5.203 1.00 0.00 C ATOM 1340 CD GLN A 92 -14.237 -12.783 -5.540 1.00 0.00 C ATOM 1341 OE1 GLN A 92 -14.626 -11.724 -5.048 1.00 0.00 O ATOM 1342 NE2 GLN A 92 -14.974 -13.495 -6.385 1.00 0.00 N ATOM 0 H GLN A 92 -11.994 -13.780 -2.394 1.00 0.00 H new ATOM 0 HA GLN A 92 -11.753 -16.170 -3.525 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -13.256 -15.444 -5.297 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.707 -14.698 -3.777 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -12.353 -12.653 -4.534 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -12.272 -13.407 -6.113 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -14.611 -14.368 -6.768 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.903 -13.169 -6.651 1.00 0.00 H new ATOM 1351 N VAL A 93 -10.019 -14.031 -5.302 1.00 0.00 N ATOM 1352 CA VAL A 93 -8.984 -13.821 -6.208 1.00 0.00 C ATOM 1353 C VAL A 93 -8.822 -12.336 -6.325 1.00 0.00 C ATOM 1354 O VAL A 93 -9.719 -11.633 -6.794 1.00 0.00 O ATOM 1355 CB VAL A 93 -9.224 -14.473 -7.542 1.00 0.00 C ATOM 1356 CG1 VAL A 93 -10.056 -13.608 -8.482 1.00 0.00 C ATOM 1357 CG2 VAL A 93 -7.862 -14.751 -8.062 1.00 0.00 C ATOM 0 H VAL A 93 -10.358 -13.166 -4.880 1.00 0.00 H new ATOM 0 HA VAL A 93 -8.068 -14.289 -5.847 1.00 0.00 H new ATOM 0 HB VAL A 93 -9.818 -15.382 -7.453 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -10.196 -14.130 -9.428 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -11.028 -13.410 -8.029 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -9.540 -12.665 -8.661 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -7.936 -15.230 -9.038 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -7.311 -13.815 -8.158 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -7.337 -15.412 -7.372 1.00 0.00 H new ATOM 1367 N VAL A 94 -7.734 -11.842 -5.791 1.00 0.00 N ATOM 1368 CA VAL A 94 -7.546 -10.443 -5.738 1.00 0.00 C ATOM 1369 C VAL A 94 -6.369 -9.960 -6.534 1.00 0.00 C ATOM 1370 O VAL A 94 -5.261 -10.490 -6.477 1.00 0.00 O ATOM 1371 CB VAL A 94 -7.350 -10.007 -4.314 1.00 0.00 C ATOM 1372 CG1 VAL A 94 -5.939 -9.520 -4.201 1.00 0.00 C ATOM 1373 CG2 VAL A 94 -8.359 -8.937 -3.905 1.00 0.00 C ATOM 0 H VAL A 94 -6.977 -12.397 -5.393 1.00 0.00 H new ATOM 0 HA VAL A 94 -8.445 -10.008 -6.175 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.521 -10.839 -3.631 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.748 -9.191 -3.179 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.254 -10.328 -4.456 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -5.786 -8.686 -4.885 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -8.184 -8.649 -2.869 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -8.245 -8.065 -4.549 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -9.370 -9.333 -4.005 1.00 0.00 H new ATOM 1383 N HIS A 95 -6.642 -8.902 -7.206 1.00 0.00 N ATOM 1384 CA HIS A 95 -5.649 -8.185 -7.977 1.00 0.00 C ATOM 1385 C HIS A 95 -5.760 -6.694 -7.721 1.00 0.00 C ATOM 1386 O HIS A 95 -6.783 -6.091 -8.028 1.00 0.00 O ATOM 1387 CB HIS A 95 -5.772 -8.562 -9.429 1.00 0.00 C ATOM 1388 CG HIS A 95 -5.340 -9.969 -9.597 1.00 0.00 C ATOM 1389 ND1 HIS A 95 -6.076 -11.028 -9.155 1.00 0.00 N ATOM 1390 CD2 HIS A 95 -4.181 -10.486 -10.022 1.00 0.00 C ATOM 1391 CE1 HIS A 95 -5.365 -12.122 -9.303 1.00 0.00 C ATOM 1392 NE2 HIS A 95 -4.228 -11.820 -9.840 1.00 0.00 N ATOM 0 H HIS A 95 -7.574 -8.489 -7.247 1.00 0.00 H new ATOM 0 HA HIS A 95 -4.644 -8.468 -7.663 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -6.802 -8.441 -9.764 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -5.158 -7.903 -10.043 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -3.353 -9.931 -10.438 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -5.680 -13.116 -9.021 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -3.491 -12.481 -10.085 1.00 0.00 H new ATOM 1401 N LEU A 96 -4.741 -6.101 -7.119 1.00 0.00 N ATOM 1402 CA LEU A 96 -4.778 -4.731 -6.793 1.00 0.00 C ATOM 1403 C LEU A 96 -3.680 -3.903 -7.349 1.00 0.00 C ATOM 1404 O LEU A 96 -2.526 -4.246 -7.248 1.00 0.00 O ATOM 1405 CB LEU A 96 -4.720 -4.573 -5.300 1.00 0.00 C ATOM 1406 CG LEU A 96 -5.838 -3.737 -4.878 1.00 0.00 C ATOM 1407 CD1 LEU A 96 -6.278 -4.035 -3.452 1.00 0.00 C ATOM 1408 CD2 LEU A 96 -5.530 -2.265 -5.101 1.00 0.00 C ATOM 0 H LEU A 96 -3.878 -6.576 -6.854 1.00 0.00 H new ATOM 0 HA LEU A 96 -5.706 -4.375 -7.240 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -4.771 -5.547 -4.814 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -3.775 -4.118 -5.004 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.692 -3.987 -5.507 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -7.113 -3.387 -3.186 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.590 -5.077 -3.378 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.447 -3.855 -2.770 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.379 -1.663 -4.778 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -4.648 -1.986 -4.525 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.342 -2.089 -6.160 1.00 0.00 H new ATOM 1420 N LEU A 97 -4.068 -2.749 -7.830 1.00 0.00 N ATOM 1421 CA LEU A 97 -3.112 -1.783 -8.295 1.00 0.00 C ATOM 1422 C LEU A 97 -3.133 -0.577 -7.367 1.00 0.00 C ATOM 1423 O LEU A 97 -4.123 0.151 -7.293 1.00 0.00 O ATOM 1424 CB LEU A 97 -3.424 -1.360 -9.720 1.00 0.00 C ATOM 1425 CG LEU A 97 -2.905 -2.329 -10.759 1.00 0.00 C ATOM 1426 CD1 LEU A 97 -3.376 -1.935 -12.152 1.00 0.00 C ATOM 1427 CD2 LEU A 97 -1.386 -2.387 -10.690 1.00 0.00 C ATOM 0 H LEU A 97 -5.042 -2.457 -7.909 1.00 0.00 H new ATOM 0 HA LEU A 97 -2.118 -2.231 -8.290 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.503 -1.260 -9.834 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -2.992 -0.376 -9.903 1.00 0.00 H new ATOM 0 HG LEU A 97 -3.303 -3.321 -10.548 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.990 -2.647 -12.882 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -4.466 -1.939 -12.182 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -3.010 -0.936 -12.391 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -1.014 -3.086 -11.439 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -0.975 -1.396 -10.882 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -1.079 -2.721 -9.699 1.00 0.00 H new ATOM 1439 N LEU A 98 -2.030 -0.390 -6.659 1.00 0.00 N ATOM 1440 CA LEU A 98 -1.876 0.707 -5.706 1.00 0.00 C ATOM 1441 C LEU A 98 -0.910 1.754 -6.213 1.00 0.00 C ATOM 1442 O LEU A 98 0.002 1.457 -6.982 1.00 0.00 O ATOM 1443 CB LEU A 98 -1.376 0.158 -4.375 1.00 0.00 C ATOM 1444 CG LEU A 98 0.007 0.645 -3.933 1.00 0.00 C ATOM 1445 CD1 LEU A 98 -0.117 1.918 -3.108 1.00 0.00 C ATOM 1446 CD2 LEU A 98 0.700 -0.465 -3.175 1.00 0.00 C ATOM 0 H LEU A 98 -1.212 -0.995 -6.727 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.850 1.180 -5.577 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.097 0.420 -3.601 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -1.355 -0.930 -4.437 1.00 0.00 H new ATOM 0 HG LEU A 98 0.614 0.894 -4.803 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.875 2.251 -2.802 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.592 2.695 -3.707 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.723 1.721 -2.224 1.00 0.00 H new ATOM 0 HD21 LEU A 98 1.686 -0.127 -2.856 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.108 -0.733 -2.300 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.806 -1.336 -3.822 1.00 0.00 H new ATOM 1458 N GLU A 99 -1.099 2.972 -5.743 1.00 0.00 N ATOM 1459 CA GLU A 99 -0.212 4.062 -6.121 1.00 0.00 C ATOM 1460 C GLU A 99 0.294 4.826 -4.904 1.00 0.00 C ATOM 1461 O GLU A 99 -0.473 5.403 -4.138 1.00 0.00 O ATOM 1462 CB GLU A 99 -0.883 5.025 -7.094 1.00 0.00 C ATOM 1463 CG GLU A 99 -0.710 4.633 -8.552 1.00 0.00 C ATOM 1464 CD GLU A 99 0.286 5.515 -9.279 1.00 0.00 C ATOM 1465 OE1 GLU A 99 1.499 5.225 -9.205 1.00 0.00 O ATOM 1466 OE2 GLU A 99 -0.146 6.494 -9.924 1.00 0.00 O ATOM 0 H GLU A 99 -1.850 3.233 -5.105 1.00 0.00 H new ATOM 0 HA GLU A 99 0.642 3.605 -6.621 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -1.947 5.078 -6.864 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -0.474 6.024 -6.944 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -0.380 3.596 -8.609 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -1.675 4.689 -9.056 1.00 0.00 H new ATOM 1473 N LYS A 100 1.602 4.813 -4.741 1.00 0.00 N ATOM 1474 CA LYS A 100 2.248 5.482 -3.634 1.00 0.00 C ATOM 1475 C LYS A 100 2.091 6.990 -3.709 1.00 0.00 C ATOM 1476 O LYS A 100 2.660 7.644 -4.583 1.00 0.00 O ATOM 1477 CB LYS A 100 3.724 5.115 -3.639 1.00 0.00 C ATOM 1478 CG LYS A 100 4.236 4.767 -2.266 1.00 0.00 C ATOM 1479 CD LYS A 100 3.456 3.589 -1.721 1.00 0.00 C ATOM 1480 CE LYS A 100 4.288 2.739 -0.775 1.00 0.00 C ATOM 1481 NZ LYS A 100 5.222 3.561 0.046 1.00 0.00 N ATOM 0 H LYS A 100 2.246 4.338 -5.374 1.00 0.00 H new ATOM 0 HA LYS A 100 1.773 5.155 -2.709 1.00 0.00 H new ATOM 0 HB2 LYS A 100 3.883 4.269 -4.308 1.00 0.00 H new ATOM 0 HB3 LYS A 100 4.301 5.949 -4.038 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.298 4.524 -2.313 1.00 0.00 H new ATOM 0 HG3 LYS A 100 4.134 5.624 -1.600 1.00 0.00 H new ATOM 0 HD2 LYS A 100 2.571 3.952 -1.198 1.00 0.00 H new ATOM 0 HD3 LYS A 100 3.106 2.972 -2.549 1.00 0.00 H new ATOM 0 HE2 LYS A 100 3.626 2.177 -0.116 1.00 0.00 H new ATOM 0 HE3 LYS A 100 4.858 2.010 -1.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 5.460 3.048 0.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 6.091 3.744 -0.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 4.768 4.465 0.288 1.00 0.00 H new ATOM 1495 N GLY A 101 1.329 7.541 -2.769 1.00 0.00 N ATOM 1496 CA GLY A 101 1.136 8.973 -2.739 1.00 0.00 C ATOM 1497 C GLY A 101 0.850 9.475 -1.345 1.00 0.00 C ATOM 1498 O GLY A 101 0.101 10.434 -1.152 1.00 0.00 O ATOM 0 H GLY A 101 0.847 7.023 -2.034 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.027 9.467 -3.127 1.00 0.00 H new ATOM 0 HA3 GLY A 101 0.310 9.242 -3.398 1.00 0.00 H new ATOM 1502 N GLN A 102 1.453 8.813 -0.371 1.00 0.00 N ATOM 1503 CA GLN A 102 1.283 9.162 1.022 1.00 0.00 C ATOM 1504 C GLN A 102 2.111 10.390 1.388 1.00 0.00 C ATOM 1505 O GLN A 102 3.208 10.270 1.934 1.00 0.00 O ATOM 1506 CB GLN A 102 1.671 7.978 1.910 1.00 0.00 C ATOM 1507 CG GLN A 102 0.490 7.104 2.302 1.00 0.00 C ATOM 1508 CD GLN A 102 0.247 7.100 3.799 1.00 0.00 C ATOM 1509 OE1 GLN A 102 0.759 6.244 4.522 1.00 0.00 O ATOM 1510 NE2 GLN A 102 -0.539 8.060 4.275 1.00 0.00 N ATOM 0 H GLN A 102 2.074 8.019 -0.528 1.00 0.00 H new ATOM 0 HA GLN A 102 0.233 9.404 1.186 1.00 0.00 H new ATOM 0 HB2 GLN A 102 2.407 7.368 1.387 1.00 0.00 H new ATOM 0 HB3 GLN A 102 2.151 8.353 2.814 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -0.406 7.458 1.792 1.00 0.00 H new ATOM 0 HG3 GLN A 102 0.668 6.084 1.963 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -0.943 8.750 3.641 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -0.738 8.107 5.274 1.00 0.00 H new ATOM 1519 N SER A 103 1.580 11.570 1.083 1.00 0.00 N ATOM 1520 CA SER A 103 2.271 12.819 1.381 1.00 0.00 C ATOM 1521 C SER A 103 1.386 13.750 2.205 1.00 0.00 C ATOM 1522 O SER A 103 0.843 14.726 1.686 1.00 0.00 O ATOM 1523 CB SER A 103 2.694 13.512 0.084 1.00 0.00 C ATOM 1524 OG SER A 103 1.741 13.298 -0.943 1.00 0.00 O ATOM 0 H SER A 103 0.674 11.687 0.630 1.00 0.00 H new ATOM 0 HA SER A 103 3.160 12.583 1.966 1.00 0.00 H new ATOM 0 HB2 SER A 103 2.809 14.581 0.260 1.00 0.00 H new ATOM 0 HB3 SER A 103 3.666 13.135 -0.233 1.00 0.00 H new ATOM 0 HG SER A 103 2.034 13.752 -1.761 1.00 0.00 H new ATOM 1530 N PRO A 104 1.229 13.460 3.509 1.00 0.00 N ATOM 1531 CA PRO A 104 0.406 14.275 4.407 1.00 0.00 C ATOM 1532 C PRO A 104 0.826 15.716 4.430 1.00 0.00 C ATOM 1533 O PRO A 104 1.843 16.100 3.852 1.00 0.00 O ATOM 1534 CB PRO A 104 0.598 13.626 5.779 1.00 0.00 C ATOM 1535 CG PRO A 104 1.049 12.235 5.486 1.00 0.00 C ATOM 1536 CD PRO A 104 1.840 12.317 4.210 1.00 0.00 C ATOM 0 HA PRO A 104 -0.635 14.297 4.085 1.00 0.00 H new ATOM 0 HB2 PRO A 104 1.338 14.165 6.371 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -0.330 13.628 6.350 1.00 0.00 H new ATOM 0 HG2 PRO A 104 1.660 11.843 6.299 1.00 0.00 H new ATOM 0 HG3 PRO A 104 0.197 11.564 5.375 1.00 0.00 H new ATOM 0 HD2 PRO A 104 2.900 12.483 4.403 1.00 0.00 H new ATOM 0 HD3 PRO A 104 1.762 11.399 3.628 1.00 0.00 H new ATOM 1544 N THR A 105 0.002 16.522 5.073 1.00 0.00 N ATOM 1545 CA THR A 105 0.251 17.935 5.141 1.00 0.00 C ATOM 1546 C THR A 105 1.625 18.235 5.734 1.00 0.00 C ATOM 1547 O THR A 105 2.400 19.007 5.169 1.00 0.00 O ATOM 1548 CB THR A 105 -0.842 18.639 5.948 1.00 0.00 C ATOM 1549 OG1 THR A 105 -2.113 18.081 5.664 1.00 0.00 O ATOM 1550 CG2 THR A 105 -0.922 20.126 5.676 1.00 0.00 C ATOM 0 H THR A 105 -0.844 16.215 5.553 1.00 0.00 H new ATOM 0 HA THR A 105 0.236 18.319 4.121 1.00 0.00 H new ATOM 0 HB THR A 105 -0.571 18.491 6.993 1.00 0.00 H new ATOM 0 HG1 THR A 105 -2.798 18.543 6.191 1.00 0.00 H new ATOM 0 HG21 THR A 105 -1.717 20.564 6.280 1.00 0.00 H new ATOM 0 HG22 THR A 105 0.028 20.594 5.932 1.00 0.00 H new ATOM 0 HG23 THR A 105 -1.135 20.292 4.620 1.00 0.00 H new ATOM 1558 N SER A 106 1.919 17.619 6.874 1.00 0.00 N ATOM 1559 CA SER A 106 3.199 17.819 7.543 1.00 0.00 C ATOM 1560 C SER A 106 3.413 16.773 8.632 1.00 0.00 C ATOM 1561 O SER A 106 3.952 17.072 9.698 1.00 0.00 O ATOM 1562 CB SER A 106 3.269 19.223 8.146 1.00 0.00 C ATOM 1563 OG SER A 106 4.444 19.388 8.921 1.00 0.00 O ATOM 0 H SER A 106 1.288 16.977 7.354 1.00 0.00 H new ATOM 0 HA SER A 106 3.990 17.711 6.801 1.00 0.00 H new ATOM 0 HB2 SER A 106 3.248 19.966 7.349 1.00 0.00 H new ATOM 0 HB3 SER A 106 2.392 19.399 8.768 1.00 0.00 H new ATOM 0 HG SER A 106 4.466 18.711 9.630 1.00 0.00 H new ATOM 1569 N LYS A 107 2.987 15.544 8.357 1.00 0.00 N ATOM 1570 CA LYS A 107 3.132 14.453 9.313 1.00 0.00 C ATOM 1571 C LYS A 107 2.372 14.753 10.601 1.00 0.00 C ATOM 1572 O LYS A 107 2.775 14.330 11.684 1.00 0.00 O ATOM 1573 CB LYS A 107 4.611 14.211 9.624 1.00 0.00 C ATOM 1574 CG LYS A 107 4.966 12.741 9.782 1.00 0.00 C ATOM 1575 CD LYS A 107 6.152 12.552 10.714 1.00 0.00 C ATOM 1576 CE LYS A 107 5.705 12.159 12.113 1.00 0.00 C ATOM 1577 NZ LYS A 107 6.746 12.462 13.133 1.00 0.00 N ATOM 0 H LYS A 107 2.539 15.279 7.480 1.00 0.00 H new ATOM 0 HA LYS A 107 2.711 13.553 8.865 1.00 0.00 H new ATOM 0 HB2 LYS A 107 5.217 14.639 8.825 1.00 0.00 H new ATOM 0 HB3 LYS A 107 4.873 14.740 10.540 1.00 0.00 H new ATOM 0 HG2 LYS A 107 4.105 12.197 10.172 1.00 0.00 H new ATOM 0 HG3 LYS A 107 5.197 12.314 8.806 1.00 0.00 H new ATOM 0 HD2 LYS A 107 6.812 11.783 10.313 1.00 0.00 H new ATOM 0 HD3 LYS A 107 6.729 13.475 10.761 1.00 0.00 H new ATOM 0 HE2 LYS A 107 4.786 12.689 12.363 1.00 0.00 H new ATOM 0 HE3 LYS A 107 5.474 11.094 12.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 6.403 12.180 14.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 7.615 11.936 12.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 6.948 13.482 13.130 1.00 0.00 H new ATOM 1591 N GLU A 108 1.272 15.488 10.475 1.00 0.00 N ATOM 1592 CA GLU A 108 0.455 15.846 11.629 1.00 0.00 C ATOM 1593 C GLU A 108 1.264 16.652 12.640 1.00 0.00 C ATOM 1594 O GLU A 108 1.869 16.033 13.541 1.00 0.00 O ATOM 1595 CB GLU A 108 -0.105 14.586 12.294 1.00 0.00 C ATOM 1596 CG GLU A 108 -1.402 14.096 11.674 1.00 0.00 C ATOM 1597 CD GLU A 108 -2.625 14.552 12.443 1.00 0.00 C ATOM 1598 OE1 GLU A 108 -3.022 13.851 13.398 1.00 0.00 O ATOM 1599 OE2 GLU A 108 -3.187 15.611 12.092 1.00 0.00 O ATOM 1600 OXT GLU A 108 1.287 17.896 12.521 1.00 0.00 O ATOM 0 H GLU A 108 0.926 15.847 9.585 1.00 0.00 H new ATOM 0 HA GLU A 108 -0.373 16.463 11.279 1.00 0.00 H new ATOM 0 HB2 GLU A 108 0.639 13.792 12.234 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -0.271 14.787 13.352 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -1.468 14.456 10.647 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -1.390 13.007 11.630 1.00 0.00 H new TER 1607 GLU A 108