USER MOD reduce.3.24.130724 H: found=0, std=0, add=886, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 878 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 52 SER OG : rot 75:sc= 1.36 USER MOD Set 1.2: A 61 HIS : no HD1:sc= 0.925 K(o=2.3,f=-6.2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -1.16 K(o=-1.2,f=-2.2) USER MOD Single : A 11 LYS NZ :NH3+ -175:sc= 1.72 (180deg=1.64) USER MOD Single : A 14 HIS : no HD1:sc= -0.254 X(o=-0.25,f=-0.31) USER MOD Single : A 16 GLN : amide:sc= 0.933 K(o=0.93,f=-0.35) USER MOD Single : A 19 TYR OH : rot 25:sc= 0.401 USER MOD Single : A 20 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-0.69) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0499 USER MOD Single : A 43 SER OG : rot -68:sc= 1.59 USER MOD Single : A 44 GLN : amide:sc= -0.0353 K(o=-0.035,f=-0.81) USER MOD Single : A 46 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0542) USER MOD Single : A 47 GLN : amide:sc= -0.389 K(o=-0.39,f=-1.3) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc=-0.00957 X(o=-0.0096,f=0) USER MOD Single : A 66 SER OG : rot -132:sc= 0.00476 USER MOD Single : A 69 ASN : amide:sc= -0.137 X(o=-0.14,f=-0.14) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= -0.144 USER MOD Single : A 87 HIS : no HD1:sc= -0.463 X(o=-0.46,f=-0.22) USER MOD Single : A 90 SER OG : rot 81:sc= 0.293 USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.193 USER MOD Single : A 92 GLN : amide:sc= 0.939 K(o=0.94,f=-0.055) USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot -110:sc= 0.677 USER MOD Single : A 97 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.00536) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot 180:sc= -0.233 USER MOD Single : A 104 HIS : no HE2:sc= -0.485 K(o=-0.49,f=-1.1) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc=-0.00589 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 28.920 -1.553 5.018 1.00 0.00 N ATOM 2 CA GLY A 1 27.519 -1.130 4.958 1.00 0.00 C ATOM 3 C GLY A 1 27.188 -0.283 6.160 1.00 0.00 C ATOM 4 O GLY A 1 27.392 -0.729 7.289 1.00 0.00 O ATOM 0 H1 GLY A 1 29.142 -2.137 4.186 1.00 0.00 H new ATOM 0 H2 GLY A 1 29.536 -0.715 5.027 1.00 0.00 H new ATOM 0 H3 GLY A 1 29.078 -2.108 5.883 1.00 0.00 H new ATOM 0 HA2 GLY A 1 27.339 -0.565 4.043 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.867 -2.003 4.927 1.00 0.00 H new ATOM 8 N SER A 2 26.723 0.948 5.940 1.00 0.00 N ATOM 9 CA SER A 2 26.359 1.860 7.012 1.00 0.00 C ATOM 10 C SER A 2 24.993 2.481 6.726 1.00 0.00 C ATOM 11 O SER A 2 24.895 3.684 6.463 1.00 0.00 O ATOM 12 CB SER A 2 27.480 2.887 7.245 1.00 0.00 C ATOM 13 OG SER A 2 27.206 3.687 8.385 1.00 0.00 O ATOM 0 H SER A 2 26.590 1.337 5.007 1.00 0.00 H new ATOM 0 HA SER A 2 26.256 1.317 7.951 1.00 0.00 H new ATOM 0 HB2 SER A 2 28.430 2.370 7.379 1.00 0.00 H new ATOM 0 HB3 SER A 2 27.584 3.523 6.366 1.00 0.00 H new ATOM 0 HG SER A 2 27.933 4.332 8.515 1.00 0.00 H new ATOM 19 N SER A 3 23.951 1.647 6.705 1.00 0.00 N ATOM 20 CA SER A 3 22.599 2.110 6.502 1.00 0.00 C ATOM 21 C SER A 3 22.252 2.730 7.856 1.00 0.00 C ATOM 22 O SER A 3 21.932 2.020 8.812 1.00 0.00 O ATOM 23 CB SER A 3 21.689 0.947 6.095 1.00 0.00 C ATOM 24 OG SER A 3 20.480 1.422 5.529 1.00 0.00 O ATOM 0 H SER A 3 24.032 0.638 6.829 1.00 0.00 H new ATOM 0 HA SER A 3 22.476 2.829 5.692 1.00 0.00 H new ATOM 0 HB2 SER A 3 22.206 0.311 5.377 1.00 0.00 H new ATOM 0 HB3 SER A 3 21.469 0.330 6.967 1.00 0.00 H new ATOM 0 HG SER A 3 19.916 0.661 5.276 1.00 0.00 H new ATOM 30 N GLY A 4 22.403 4.045 7.962 1.00 0.00 N ATOM 31 CA GLY A 4 22.139 4.819 9.160 1.00 0.00 C ATOM 32 C GLY A 4 21.578 6.152 8.711 1.00 0.00 C ATOM 33 O GLY A 4 22.285 7.161 8.695 1.00 0.00 O ATOM 0 H GLY A 4 22.725 4.620 7.183 1.00 0.00 H new ATOM 0 HA2 GLY A 4 21.431 4.300 9.806 1.00 0.00 H new ATOM 0 HA3 GLY A 4 23.053 4.960 9.737 1.00 0.00 H new ATOM 37 N SER A 5 20.340 6.122 8.233 1.00 0.00 N ATOM 38 CA SER A 5 19.590 7.265 7.734 1.00 0.00 C ATOM 39 C SER A 5 18.144 7.109 8.217 1.00 0.00 C ATOM 40 O SER A 5 17.701 5.979 8.432 1.00 0.00 O ATOM 41 CB SER A 5 19.729 7.312 6.206 1.00 0.00 C ATOM 42 OG SER A 5 21.106 7.325 5.838 1.00 0.00 O ATOM 0 H SER A 5 19.806 5.255 8.181 1.00 0.00 H new ATOM 0 HA SER A 5 19.965 8.217 8.109 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.234 6.448 5.762 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.232 8.200 5.815 1.00 0.00 H new ATOM 0 HG SER A 5 21.183 7.353 4.861 1.00 0.00 H new ATOM 48 N SER A 6 17.393 8.199 8.362 1.00 0.00 N ATOM 49 CA SER A 6 16.021 8.164 8.849 1.00 0.00 C ATOM 50 C SER A 6 15.007 8.734 7.844 1.00 0.00 C ATOM 51 O SER A 6 15.359 9.018 6.690 1.00 0.00 O ATOM 52 CB SER A 6 16.013 8.813 10.246 1.00 0.00 C ATOM 53 OG SER A 6 16.621 10.094 10.339 1.00 0.00 O ATOM 0 H SER A 6 17.725 9.138 8.142 1.00 0.00 H new ATOM 0 HA SER A 6 15.672 7.137 8.951 1.00 0.00 H new ATOM 0 HB2 SER A 6 14.979 8.898 10.580 1.00 0.00 H new ATOM 0 HB3 SER A 6 16.518 8.141 10.940 1.00 0.00 H new ATOM 0 HG SER A 6 16.562 10.418 11.262 1.00 0.00 H new ATOM 59 N GLY A 7 13.743 8.854 8.273 1.00 0.00 N ATOM 60 CA GLY A 7 12.621 9.379 7.497 1.00 0.00 C ATOM 61 C GLY A 7 12.234 8.446 6.363 1.00 0.00 C ATOM 62 O GLY A 7 12.304 8.823 5.193 1.00 0.00 O ATOM 0 H GLY A 7 13.467 8.574 9.214 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.764 9.529 8.153 1.00 0.00 H new ATOM 0 HA3 GLY A 7 12.885 10.355 7.090 1.00 0.00 H new ATOM 66 N GLU A 8 11.830 7.221 6.696 1.00 0.00 N ATOM 67 CA GLU A 8 11.434 6.212 5.720 1.00 0.00 C ATOM 68 C GLU A 8 10.279 6.704 4.828 1.00 0.00 C ATOM 69 O GLU A 8 10.209 6.382 3.644 1.00 0.00 O ATOM 70 CB GLU A 8 11.097 4.924 6.469 1.00 0.00 C ATOM 71 CG GLU A 8 11.115 3.716 5.538 1.00 0.00 C ATOM 72 CD GLU A 8 10.983 2.429 6.342 1.00 0.00 C ATOM 73 OE1 GLU A 8 9.939 2.280 7.020 1.00 0.00 O ATOM 74 OE2 GLU A 8 11.878 1.563 6.228 1.00 0.00 O ATOM 0 H GLU A 8 11.768 6.900 7.662 1.00 0.00 H new ATOM 0 HA GLU A 8 12.259 6.014 5.035 1.00 0.00 H new ATOM 0 HB2 GLU A 8 11.813 4.773 7.277 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.113 5.016 6.929 1.00 0.00 H new ATOM 0 HG2 GLU A 8 10.299 3.790 4.819 1.00 0.00 H new ATOM 0 HG3 GLU A 8 12.043 3.702 4.966 1.00 0.00 H new ATOM 81 N VAL A 9 9.402 7.550 5.364 1.00 0.00 N ATOM 82 CA VAL A 9 8.257 8.124 4.660 1.00 0.00 C ATOM 83 C VAL A 9 8.711 9.026 3.512 1.00 0.00 C ATOM 84 O VAL A 9 8.049 9.097 2.477 1.00 0.00 O ATOM 85 CB VAL A 9 7.420 8.933 5.669 1.00 0.00 C ATOM 86 CG1 VAL A 9 6.197 9.613 5.042 1.00 0.00 C ATOM 87 CG2 VAL A 9 7.003 8.043 6.836 1.00 0.00 C ATOM 0 H VAL A 9 9.471 7.865 6.332 1.00 0.00 H new ATOM 0 HA VAL A 9 7.659 7.320 4.231 1.00 0.00 H new ATOM 0 HB VAL A 9 8.059 9.738 6.031 1.00 0.00 H new ATOM 0 HG11 VAL A 9 5.654 10.165 5.809 1.00 0.00 H new ATOM 0 HG12 VAL A 9 6.523 10.301 4.262 1.00 0.00 H new ATOM 0 HG13 VAL A 9 5.543 8.857 4.608 1.00 0.00 H new ATOM 0 HG21 VAL A 9 6.412 8.624 7.544 1.00 0.00 H new ATOM 0 HG22 VAL A 9 6.407 7.210 6.463 1.00 0.00 H new ATOM 0 HG23 VAL A 9 7.892 7.658 7.336 1.00 0.00 H new ATOM 97 N GLN A 10 9.830 9.733 3.693 1.00 0.00 N ATOM 98 CA GLN A 10 10.381 10.646 2.704 1.00 0.00 C ATOM 99 C GLN A 10 11.089 9.897 1.570 1.00 0.00 C ATOM 100 O GLN A 10 11.415 10.509 0.550 1.00 0.00 O ATOM 101 CB GLN A 10 11.328 11.640 3.399 1.00 0.00 C ATOM 102 CG GLN A 10 10.584 12.639 4.302 1.00 0.00 C ATOM 103 CD GLN A 10 9.949 12.036 5.554 1.00 0.00 C ATOM 104 OE1 GLN A 10 10.618 11.436 6.390 1.00 0.00 O ATOM 105 NE2 GLN A 10 8.650 12.187 5.731 1.00 0.00 N ATOM 0 H GLN A 10 10.384 9.682 4.548 1.00 0.00 H new ATOM 0 HA GLN A 10 9.561 11.198 2.244 1.00 0.00 H new ATOM 0 HB2 GLN A 10 12.053 11.087 3.996 1.00 0.00 H new ATOM 0 HB3 GLN A 10 11.890 12.189 2.643 1.00 0.00 H new ATOM 0 HG2 GLN A 10 11.282 13.418 4.608 1.00 0.00 H new ATOM 0 HG3 GLN A 10 9.803 13.123 3.715 1.00 0.00 H new ATOM 0 HE21 GLN A 10 8.095 12.686 5.036 1.00 0.00 H new ATOM 0 HE22 GLN A 10 8.201 11.805 6.563 1.00 0.00 H new ATOM 114 N LYS A 11 11.359 8.598 1.734 1.00 0.00 N ATOM 115 CA LYS A 11 12.013 7.803 0.701 1.00 0.00 C ATOM 116 C LYS A 11 10.987 7.617 -0.419 1.00 0.00 C ATOM 117 O LYS A 11 9.791 7.476 -0.127 1.00 0.00 O ATOM 118 CB LYS A 11 12.449 6.429 1.247 1.00 0.00 C ATOM 119 CG LYS A 11 13.242 6.472 2.561 1.00 0.00 C ATOM 120 CD LYS A 11 14.681 6.969 2.398 1.00 0.00 C ATOM 121 CE LYS A 11 15.230 7.608 3.680 1.00 0.00 C ATOM 122 NZ LYS A 11 14.688 8.970 3.889 1.00 0.00 N ATOM 0 H LYS A 11 11.131 8.076 2.580 1.00 0.00 H new ATOM 0 HA LYS A 11 12.912 8.306 0.345 1.00 0.00 H new ATOM 0 HB2 LYS A 11 11.560 5.816 1.397 1.00 0.00 H new ATOM 0 HB3 LYS A 11 13.056 5.931 0.491 1.00 0.00 H new ATOM 0 HG2 LYS A 11 12.722 7.119 3.267 1.00 0.00 H new ATOM 0 HG3 LYS A 11 13.260 5.473 2.997 1.00 0.00 H new ATOM 0 HD2 LYS A 11 15.320 6.134 2.109 1.00 0.00 H new ATOM 0 HD3 LYS A 11 14.721 7.696 1.587 1.00 0.00 H new ATOM 0 HE2 LYS A 11 14.979 6.981 4.536 1.00 0.00 H new ATOM 0 HE3 LYS A 11 16.318 7.653 3.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 15.145 9.402 4.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 14.876 9.551 3.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 13.662 8.914 4.049 1.00 0.00 H new ATOM 136 N PRO A 12 11.387 7.612 -1.697 1.00 0.00 N ATOM 137 CA PRO A 12 10.442 7.414 -2.782 1.00 0.00 C ATOM 138 C PRO A 12 9.843 6.012 -2.673 1.00 0.00 C ATOM 139 O PRO A 12 10.400 5.122 -2.028 1.00 0.00 O ATOM 140 CB PRO A 12 11.240 7.588 -4.074 1.00 0.00 C ATOM 141 CG PRO A 12 12.674 7.282 -3.653 1.00 0.00 C ATOM 142 CD PRO A 12 12.732 7.768 -2.207 1.00 0.00 C ATOM 0 HA PRO A 12 9.614 8.122 -2.753 1.00 0.00 H new ATOM 0 HB2 PRO A 12 10.896 6.907 -4.852 1.00 0.00 H new ATOM 0 HB3 PRO A 12 11.146 8.599 -4.471 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.896 6.217 -3.728 1.00 0.00 H new ATOM 0 HG3 PRO A 12 13.397 7.803 -4.281 1.00 0.00 H new ATOM 0 HD2 PRO A 12 13.444 7.184 -1.624 1.00 0.00 H new ATOM 0 HD3 PRO A 12 13.054 8.808 -2.154 1.00 0.00 H new ATOM 150 N LEU A 13 8.717 5.795 -3.348 1.00 0.00 N ATOM 151 CA LEU A 13 8.015 4.520 -3.361 1.00 0.00 C ATOM 152 C LEU A 13 8.952 3.367 -3.755 1.00 0.00 C ATOM 153 O LEU A 13 8.847 2.293 -3.169 1.00 0.00 O ATOM 154 CB LEU A 13 6.787 4.658 -4.286 1.00 0.00 C ATOM 155 CG LEU A 13 6.163 3.357 -4.838 1.00 0.00 C ATOM 156 CD1 LEU A 13 4.685 3.597 -5.150 1.00 0.00 C ATOM 157 CD2 LEU A 13 6.830 2.917 -6.149 1.00 0.00 C ATOM 0 H LEU A 13 8.261 6.514 -3.910 1.00 0.00 H new ATOM 0 HA LEU A 13 7.665 4.266 -2.361 1.00 0.00 H new ATOM 0 HB2 LEU A 13 6.013 5.198 -3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.072 5.281 -5.134 1.00 0.00 H new ATOM 0 HG LEU A 13 6.301 2.586 -4.080 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.242 2.681 -5.540 1.00 0.00 H new ATOM 0 HD12 LEU A 13 4.164 3.893 -4.239 1.00 0.00 H new ATOM 0 HD13 LEU A 13 4.594 4.389 -5.894 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.363 1.999 -6.505 1.00 0.00 H new ATOM 0 HD22 LEU A 13 6.710 3.699 -6.899 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.892 2.741 -5.976 1.00 0.00 H new ATOM 169 N HIS A 14 9.884 3.583 -4.692 1.00 0.00 N ATOM 170 CA HIS A 14 10.839 2.570 -5.150 1.00 0.00 C ATOM 171 C HIS A 14 11.943 2.257 -4.126 1.00 0.00 C ATOM 172 O HIS A 14 12.910 1.582 -4.465 1.00 0.00 O ATOM 173 CB HIS A 14 11.378 2.905 -6.552 1.00 0.00 C ATOM 174 CG HIS A 14 11.845 4.323 -6.741 1.00 0.00 C ATOM 175 ND1 HIS A 14 13.052 4.867 -6.355 1.00 0.00 N ATOM 176 CD2 HIS A 14 11.135 5.291 -7.391 1.00 0.00 C ATOM 177 CE1 HIS A 14 13.050 6.151 -6.759 1.00 0.00 C ATOM 178 NE2 HIS A 14 11.894 6.462 -7.373 1.00 0.00 N ATOM 0 H HIS A 14 9.996 4.482 -5.160 1.00 0.00 H new ATOM 0 HA HIS A 14 10.287 1.635 -5.239 1.00 0.00 H new ATOM 0 HB2 HIS A 14 12.208 2.234 -6.774 1.00 0.00 H new ATOM 0 HB3 HIS A 14 10.596 2.697 -7.283 1.00 0.00 H new ATOM 0 HD2 HIS A 14 10.160 5.172 -7.839 1.00 0.00 H new ATOM 0 HE1 HIS A 14 13.868 6.840 -6.610 1.00 0.00 H new ATOM 0 HE2 HIS A 14 11.626 7.371 -7.750 1.00 0.00 H new ATOM 186 N GLU A 15 11.839 2.744 -2.891 1.00 0.00 N ATOM 187 CA GLU A 15 12.783 2.507 -1.801 1.00 0.00 C ATOM 188 C GLU A 15 12.030 1.927 -0.587 1.00 0.00 C ATOM 189 O GLU A 15 12.662 1.503 0.385 1.00 0.00 O ATOM 190 CB GLU A 15 13.533 3.813 -1.457 1.00 0.00 C ATOM 191 CG GLU A 15 14.629 4.112 -2.490 1.00 0.00 C ATOM 192 CD GLU A 15 15.357 5.448 -2.293 1.00 0.00 C ATOM 193 OE1 GLU A 15 15.555 5.916 -1.146 1.00 0.00 O ATOM 194 OE2 GLU A 15 15.733 6.058 -3.323 1.00 0.00 O ATOM 0 H GLU A 15 11.061 3.341 -2.611 1.00 0.00 H new ATOM 0 HA GLU A 15 13.533 1.777 -2.106 1.00 0.00 H new ATOM 0 HB2 GLU A 15 12.827 4.643 -1.422 1.00 0.00 H new ATOM 0 HB3 GLU A 15 13.977 3.730 -0.465 1.00 0.00 H new ATOM 0 HG2 GLU A 15 15.364 3.307 -2.462 1.00 0.00 H new ATOM 0 HG3 GLU A 15 14.183 4.101 -3.484 1.00 0.00 H new ATOM 201 N GLN A 16 10.690 1.898 -0.630 1.00 0.00 N ATOM 202 CA GLN A 16 9.820 1.396 0.430 1.00 0.00 C ATOM 203 C GLN A 16 9.891 -0.119 0.566 1.00 0.00 C ATOM 204 O GLN A 16 10.311 -0.830 -0.351 1.00 0.00 O ATOM 205 CB GLN A 16 8.363 1.793 0.151 1.00 0.00 C ATOM 206 CG GLN A 16 8.168 3.309 0.130 1.00 0.00 C ATOM 207 CD GLN A 16 8.390 3.981 1.480 1.00 0.00 C ATOM 208 OE1 GLN A 16 8.235 3.393 2.555 1.00 0.00 O ATOM 209 NE2 GLN A 16 8.768 5.243 1.430 1.00 0.00 N ATOM 0 H GLN A 16 10.168 2.238 -1.438 1.00 0.00 H new ATOM 0 HA GLN A 16 10.169 1.843 1.361 1.00 0.00 H new ATOM 0 HB2 GLN A 16 8.052 1.376 -0.807 1.00 0.00 H new ATOM 0 HB3 GLN A 16 7.718 1.357 0.913 1.00 0.00 H new ATOM 0 HG2 GLN A 16 8.854 3.743 -0.598 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.157 3.530 -0.213 1.00 0.00 H new ATOM 0 HE21 GLN A 16 8.888 5.704 0.528 1.00 0.00 H new ATOM 0 HE22 GLN A 16 8.940 5.758 2.293 1.00 0.00 H new ATOM 218 N LEU A 17 9.430 -0.622 1.709 1.00 0.00 N ATOM 219 CA LEU A 17 9.428 -2.046 2.012 1.00 0.00 C ATOM 220 C LEU A 17 8.276 -2.759 1.320 1.00 0.00 C ATOM 221 O LEU A 17 8.494 -3.856 0.828 1.00 0.00 O ATOM 222 CB LEU A 17 9.278 -2.329 3.518 1.00 0.00 C ATOM 223 CG LEU A 17 10.025 -1.448 4.526 1.00 0.00 C ATOM 224 CD1 LEU A 17 11.524 -1.334 4.230 1.00 0.00 C ATOM 225 CD2 LEU A 17 9.370 -0.068 4.667 1.00 0.00 C ATOM 0 H LEU A 17 9.044 -0.045 2.456 1.00 0.00 H new ATOM 0 HA LEU A 17 10.391 -2.413 1.656 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.216 -2.272 3.758 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.589 -3.359 3.690 1.00 0.00 H new ATOM 0 HG LEU A 17 9.944 -1.954 5.488 1.00 0.00 H new ATOM 0 HD11 LEU A 17 11.995 -0.698 4.979 1.00 0.00 H new ATOM 0 HD12 LEU A 17 11.977 -2.325 4.259 1.00 0.00 H new ATOM 0 HD13 LEU A 17 11.668 -0.898 3.241 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.928 0.527 5.390 1.00 0.00 H new ATOM 0 HD22 LEU A 17 9.374 0.437 3.701 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.342 -0.186 5.010 1.00 0.00 H new ATOM 237 N TRP A 18 7.080 -2.154 1.323 1.00 0.00 N ATOM 238 CA TRP A 18 5.837 -2.666 0.747 1.00 0.00 C ATOM 239 C TRP A 18 5.755 -2.637 -0.779 1.00 0.00 C ATOM 240 O TRP A 18 4.767 -3.133 -1.326 1.00 0.00 O ATOM 241 CB TRP A 18 4.669 -1.868 1.346 1.00 0.00 C ATOM 242 CG TRP A 18 4.893 -0.399 1.545 1.00 0.00 C ATOM 243 CD1 TRP A 18 5.254 0.214 2.699 1.00 0.00 C ATOM 244 CD2 TRP A 18 4.755 0.663 0.558 1.00 0.00 C ATOM 245 NE1 TRP A 18 5.267 1.580 2.502 1.00 0.00 N ATOM 246 CE2 TRP A 18 4.924 1.909 1.214 1.00 0.00 C ATOM 247 CE3 TRP A 18 4.510 0.703 -0.829 1.00 0.00 C ATOM 248 CZ2 TRP A 18 4.775 3.130 0.552 1.00 0.00 C ATOM 249 CZ3 TRP A 18 4.403 1.926 -1.522 1.00 0.00 C ATOM 250 CH2 TRP A 18 4.526 3.145 -0.830 1.00 0.00 C ATOM 0 H TRP A 18 6.951 -1.239 1.755 1.00 0.00 H new ATOM 0 HA TRP A 18 5.794 -3.725 1.003 1.00 0.00 H new ATOM 0 HB2 TRP A 18 3.801 -1.996 0.699 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.415 -2.308 2.310 1.00 0.00 H new ATOM 0 HD1 TRP A 18 5.493 -0.287 3.625 1.00 0.00 H new ATOM 0 HE1 TRP A 18 5.502 2.261 3.224 1.00 0.00 H new ATOM 0 HE3 TRP A 18 4.402 -0.224 -1.373 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 4.851 4.058 1.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 4.226 1.927 -2.587 1.00 0.00 H new ATOM 0 HH2 TRP A 18 4.430 4.083 -1.357 1.00 0.00 H new ATOM 261 N TYR A 19 6.696 -2.001 -1.474 1.00 0.00 N ATOM 262 CA TYR A 19 6.668 -1.946 -2.923 1.00 0.00 C ATOM 263 C TYR A 19 7.491 -3.104 -3.478 1.00 0.00 C ATOM 264 O TYR A 19 8.717 -3.030 -3.529 1.00 0.00 O ATOM 265 CB TYR A 19 7.166 -0.589 -3.400 1.00 0.00 C ATOM 266 CG TYR A 19 7.190 -0.494 -4.907 1.00 0.00 C ATOM 267 CD1 TYR A 19 5.993 -0.537 -5.652 1.00 0.00 C ATOM 268 CD2 TYR A 19 8.422 -0.387 -5.567 1.00 0.00 C ATOM 269 CE1 TYR A 19 6.024 -0.414 -7.056 1.00 0.00 C ATOM 270 CE2 TYR A 19 8.467 -0.258 -6.961 1.00 0.00 C ATOM 271 CZ TYR A 19 7.270 -0.240 -7.709 1.00 0.00 C ATOM 272 OH TYR A 19 7.372 -0.027 -9.047 1.00 0.00 O ATOM 0 H TYR A 19 7.487 -1.517 -1.050 1.00 0.00 H new ATOM 0 HA TYR A 19 5.649 -2.055 -3.293 1.00 0.00 H new ATOM 0 HB2 TYR A 19 6.524 0.195 -2.997 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.168 -0.413 -3.009 1.00 0.00 H new ATOM 0 HD1 TYR A 19 5.048 -0.665 -5.144 1.00 0.00 H new ATOM 0 HD2 TYR A 19 9.340 -0.404 -4.998 1.00 0.00 H new ATOM 0 HE1 TYR A 19 5.109 -0.452 -7.628 1.00 0.00 H new ATOM 0 HE2 TYR A 19 9.419 -0.172 -7.464 1.00 0.00 H new ATOM 0 HH TYR A 19 6.540 0.370 -9.379 1.00 0.00 H new ATOM 282 N HIS A 20 6.818 -4.172 -3.909 1.00 0.00 N ATOM 283 CA HIS A 20 7.513 -5.338 -4.450 1.00 0.00 C ATOM 284 C HIS A 20 8.075 -5.037 -5.844 1.00 0.00 C ATOM 285 O HIS A 20 9.189 -5.456 -6.160 1.00 0.00 O ATOM 286 CB HIS A 20 6.576 -6.553 -4.497 1.00 0.00 C ATOM 287 CG HIS A 20 6.305 -7.174 -3.149 1.00 0.00 C ATOM 288 ND1 HIS A 20 7.007 -8.213 -2.581 1.00 0.00 N ATOM 289 CD2 HIS A 20 5.412 -6.733 -2.212 1.00 0.00 C ATOM 290 CE1 HIS A 20 6.575 -8.365 -1.319 1.00 0.00 C ATOM 291 NE2 HIS A 20 5.597 -7.482 -1.049 1.00 0.00 N ATOM 0 H HIS A 20 5.801 -4.253 -3.894 1.00 0.00 H new ATOM 0 HA HIS A 20 8.347 -5.573 -3.789 1.00 0.00 H new ATOM 0 HB2 HIS A 20 5.628 -6.251 -4.943 1.00 0.00 H new ATOM 0 HB3 HIS A 20 7.010 -7.308 -5.152 1.00 0.00 H new ATOM 0 HD2 HIS A 20 4.689 -5.942 -2.348 1.00 0.00 H new ATOM 0 HE1 HIS A 20 6.958 -9.093 -0.620 1.00 0.00 H new ATOM 0 HE2 HIS A 20 5.091 -7.380 -0.169 1.00 0.00 H new ATOM 299 N GLY A 21 7.314 -4.313 -6.675 1.00 0.00 N ATOM 300 CA GLY A 21 7.698 -3.953 -8.036 1.00 0.00 C ATOM 301 C GLY A 21 7.275 -5.054 -9.010 1.00 0.00 C ATOM 302 O GLY A 21 7.596 -6.216 -8.790 1.00 0.00 O ATOM 0 H GLY A 21 6.396 -3.956 -6.409 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.230 -3.009 -8.317 1.00 0.00 H new ATOM 0 HA3 GLY A 21 8.776 -3.803 -8.090 1.00 0.00 H new ATOM 306 N ALA A 22 6.443 -4.708 -9.999 1.00 0.00 N ATOM 307 CA ALA A 22 5.856 -5.502 -11.095 1.00 0.00 C ATOM 308 C ALA A 22 5.461 -6.980 -10.852 1.00 0.00 C ATOM 309 O ALA A 22 5.250 -7.718 -11.820 1.00 0.00 O ATOM 310 CB ALA A 22 6.745 -5.373 -12.333 1.00 0.00 C ATOM 0 H ALA A 22 6.122 -3.742 -10.061 1.00 0.00 H new ATOM 0 HA ALA A 22 4.871 -5.051 -11.218 1.00 0.00 H new ATOM 0 HB1 ALA A 22 6.319 -5.957 -13.149 1.00 0.00 H new ATOM 0 HB2 ALA A 22 6.806 -4.326 -12.629 1.00 0.00 H new ATOM 0 HB3 ALA A 22 7.744 -5.744 -12.104 1.00 0.00 H new ATOM 316 N ILE A 23 5.307 -7.444 -9.613 1.00 0.00 N ATOM 317 CA ILE A 23 4.929 -8.827 -9.315 1.00 0.00 C ATOM 318 C ILE A 23 3.523 -9.137 -9.848 1.00 0.00 C ATOM 319 O ILE A 23 2.674 -8.235 -9.861 1.00 0.00 O ATOM 320 CB ILE A 23 4.986 -9.102 -7.798 1.00 0.00 C ATOM 321 CG1 ILE A 23 4.120 -8.111 -6.984 1.00 0.00 C ATOM 322 CG2 ILE A 23 6.443 -9.080 -7.318 1.00 0.00 C ATOM 323 CD1 ILE A 23 3.888 -8.577 -5.550 1.00 0.00 C ATOM 0 H ILE A 23 5.441 -6.869 -8.782 1.00 0.00 H new ATOM 0 HA ILE A 23 5.646 -9.479 -9.815 1.00 0.00 H new ATOM 0 HB ILE A 23 4.566 -10.093 -7.626 1.00 0.00 H new ATOM 0 HG12 ILE A 23 4.606 -7.135 -6.971 1.00 0.00 H new ATOM 0 HG13 ILE A 23 3.158 -7.982 -7.480 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.476 -9.275 -6.246 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.011 -9.847 -7.844 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.879 -8.102 -7.523 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.275 -7.845 -5.024 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.377 -9.540 -5.558 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.846 -8.680 -5.041 1.00 0.00 H new ATOM 335 N PRO A 24 3.241 -10.379 -10.270 1.00 0.00 N ATOM 336 CA PRO A 24 1.927 -10.754 -10.756 1.00 0.00 C ATOM 337 C PRO A 24 1.010 -10.985 -9.552 1.00 0.00 C ATOM 338 O PRO A 24 1.467 -11.257 -8.438 1.00 0.00 O ATOM 339 CB PRO A 24 2.152 -12.050 -11.533 1.00 0.00 C ATOM 340 CG PRO A 24 3.282 -12.712 -10.754 1.00 0.00 C ATOM 341 CD PRO A 24 4.141 -11.524 -10.321 1.00 0.00 C ATOM 0 HA PRO A 24 1.461 -9.995 -11.384 1.00 0.00 H new ATOM 0 HB2 PRO A 24 1.256 -12.671 -11.554 1.00 0.00 H new ATOM 0 HB3 PRO A 24 2.432 -11.858 -12.569 1.00 0.00 H new ATOM 0 HG2 PRO A 24 2.908 -13.273 -9.898 1.00 0.00 H new ATOM 0 HG3 PRO A 24 3.843 -13.412 -11.373 1.00 0.00 H new ATOM 0 HD2 PRO A 24 4.597 -11.706 -9.348 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.953 -11.351 -11.027 1.00 0.00 H new ATOM 349 N ARG A 25 -0.305 -10.959 -9.761 1.00 0.00 N ATOM 350 CA ARG A 25 -1.261 -11.173 -8.673 1.00 0.00 C ATOM 351 C ARG A 25 -1.172 -12.565 -8.059 1.00 0.00 C ATOM 352 O ARG A 25 -1.603 -12.726 -6.917 1.00 0.00 O ATOM 353 CB ARG A 25 -2.682 -10.844 -9.146 1.00 0.00 C ATOM 354 CG ARG A 25 -3.230 -11.918 -10.101 1.00 0.00 C ATOM 355 CD ARG A 25 -4.358 -11.381 -10.974 1.00 0.00 C ATOM 356 NE ARG A 25 -3.827 -10.545 -12.059 1.00 0.00 N ATOM 357 CZ ARG A 25 -4.541 -9.950 -13.013 1.00 0.00 C ATOM 358 NH1 ARG A 25 -5.848 -10.147 -13.090 1.00 0.00 N ATOM 359 NH2 ARG A 25 -3.956 -9.157 -13.893 1.00 0.00 N ATOM 0 H ARG A 25 -0.734 -10.792 -10.671 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.994 -10.488 -7.869 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -3.341 -10.755 -8.282 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.683 -9.877 -9.648 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.423 -12.285 -10.736 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -3.592 -12.768 -9.522 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.926 -12.212 -11.394 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.049 -10.798 -10.365 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.817 -10.407 -12.084 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.312 -10.757 -12.417 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -6.391 -9.689 -13.822 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.950 -8.996 -13.845 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.510 -8.705 -14.620 1.00 0.00 H new ATOM 373 N ALA A 26 -0.656 -13.565 -8.778 1.00 0.00 N ATOM 374 CA ALA A 26 -0.533 -14.899 -8.212 1.00 0.00 C ATOM 375 C ALA A 26 0.434 -14.852 -7.024 1.00 0.00 C ATOM 376 O ALA A 26 0.169 -15.468 -5.997 1.00 0.00 O ATOM 377 CB ALA A 26 -0.051 -15.883 -9.279 1.00 0.00 C ATOM 0 H ALA A 26 -0.323 -13.474 -9.738 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.506 -15.243 -7.860 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.037 -16.878 -8.843 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.767 -15.909 -10.100 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.921 -15.564 -9.655 1.00 0.00 H new ATOM 383 N GLU A 27 1.527 -14.088 -7.152 1.00 0.00 N ATOM 384 CA GLU A 27 2.520 -13.971 -6.085 1.00 0.00 C ATOM 385 C GLU A 27 1.937 -13.169 -4.929 1.00 0.00 C ATOM 386 O GLU A 27 2.256 -13.437 -3.777 1.00 0.00 O ATOM 387 CB GLU A 27 3.798 -13.280 -6.593 1.00 0.00 C ATOM 388 CG GLU A 27 4.576 -14.100 -7.630 1.00 0.00 C ATOM 389 CD GLU A 27 5.209 -15.361 -7.046 1.00 0.00 C ATOM 390 OE1 GLU A 27 4.512 -16.387 -6.950 1.00 0.00 O ATOM 391 OE2 GLU A 27 6.439 -15.363 -6.803 1.00 0.00 O ATOM 0 H GLU A 27 1.743 -13.543 -7.986 1.00 0.00 H new ATOM 0 HA GLU A 27 2.779 -14.975 -5.748 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.530 -12.318 -7.031 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.450 -13.073 -5.744 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.904 -14.381 -8.441 1.00 0.00 H new ATOM 0 HG3 GLU A 27 5.357 -13.477 -8.065 1.00 0.00 H new ATOM 398 N VAL A 28 1.070 -12.196 -5.220 1.00 0.00 N ATOM 399 CA VAL A 28 0.451 -11.379 -4.189 1.00 0.00 C ATOM 400 C VAL A 28 -0.270 -12.268 -3.189 1.00 0.00 C ATOM 401 O VAL A 28 -0.024 -12.133 -1.999 1.00 0.00 O ATOM 402 CB VAL A 28 -0.484 -10.333 -4.801 1.00 0.00 C ATOM 403 CG1 VAL A 28 -1.259 -9.572 -3.721 1.00 0.00 C ATOM 404 CG2 VAL A 28 0.306 -9.335 -5.647 1.00 0.00 C ATOM 0 H VAL A 28 0.783 -11.959 -6.170 1.00 0.00 H new ATOM 0 HA VAL A 28 1.229 -10.832 -3.657 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.195 -10.867 -5.432 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.913 -8.838 -4.192 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -1.859 -10.273 -3.141 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.557 -9.063 -3.060 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.376 -8.599 -6.074 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.041 -8.829 -5.021 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.818 -9.864 -6.451 1.00 0.00 H new ATOM 414 N ALA A 29 -1.147 -13.168 -3.636 1.00 0.00 N ATOM 415 CA ALA A 29 -1.862 -14.022 -2.694 1.00 0.00 C ATOM 416 C ALA A 29 -0.924 -14.856 -1.818 1.00 0.00 C ATOM 417 O ALA A 29 -1.348 -15.311 -0.759 1.00 0.00 O ATOM 418 CB ALA A 29 -2.819 -14.943 -3.449 1.00 0.00 C ATOM 0 H ALA A 29 -1.374 -13.321 -4.619 1.00 0.00 H new ATOM 0 HA ALA A 29 -2.420 -13.363 -2.029 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -3.349 -15.578 -2.739 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -3.538 -14.343 -4.006 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.253 -15.567 -4.141 1.00 0.00 H new ATOM 424 N GLU A 30 0.316 -15.081 -2.249 1.00 0.00 N ATOM 425 CA GLU A 30 1.289 -15.843 -1.497 1.00 0.00 C ATOM 426 C GLU A 30 2.025 -14.937 -0.492 1.00 0.00 C ATOM 427 O GLU A 30 2.416 -15.427 0.564 1.00 0.00 O ATOM 428 CB GLU A 30 2.238 -16.569 -2.470 1.00 0.00 C ATOM 429 CG GLU A 30 1.479 -17.635 -3.289 1.00 0.00 C ATOM 430 CD GLU A 30 2.360 -18.398 -4.284 1.00 0.00 C ATOM 431 OE1 GLU A 30 3.438 -18.901 -3.883 1.00 0.00 O ATOM 432 OE2 GLU A 30 1.955 -18.544 -5.461 1.00 0.00 O ATOM 0 H GLU A 30 0.669 -14.732 -3.140 1.00 0.00 H new ATOM 0 HA GLU A 30 0.788 -16.608 -0.904 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.697 -15.846 -3.144 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.046 -17.041 -1.911 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.021 -18.348 -2.603 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.668 -17.151 -3.834 1.00 0.00 H new ATOM 439 N LEU A 31 2.178 -13.627 -0.744 1.00 0.00 N ATOM 440 CA LEU A 31 2.859 -12.679 0.117 1.00 0.00 C ATOM 441 C LEU A 31 2.081 -12.354 1.390 1.00 0.00 C ATOM 442 O LEU A 31 2.695 -12.273 2.455 1.00 0.00 O ATOM 443 CB LEU A 31 3.096 -11.400 -0.710 1.00 0.00 C ATOM 444 CG LEU A 31 4.191 -11.569 -1.778 1.00 0.00 C ATOM 445 CD1 LEU A 31 4.158 -10.391 -2.749 1.00 0.00 C ATOM 446 CD2 LEU A 31 5.559 -11.708 -1.122 1.00 0.00 C ATOM 0 H LEU A 31 1.811 -13.193 -1.591 1.00 0.00 H new ATOM 0 HA LEU A 31 3.797 -13.121 0.454 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.164 -11.110 -1.196 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.373 -10.586 -0.039 1.00 0.00 H new ATOM 0 HG LEU A 31 4.001 -12.482 -2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.936 -10.518 -3.502 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.184 -10.349 -3.237 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.330 -9.464 -2.202 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.321 -11.827 -1.892 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.773 -10.815 -0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.563 -12.582 -0.470 1.00 0.00 H new ATOM 458 N LEU A 32 0.772 -12.099 1.288 1.00 0.00 N ATOM 459 CA LEU A 32 -0.056 -11.766 2.444 1.00 0.00 C ATOM 460 C LEU A 32 -0.357 -13.022 3.252 1.00 0.00 C ATOM 461 O LEU A 32 -0.590 -14.091 2.675 1.00 0.00 O ATOM 462 CB LEU A 32 -1.391 -11.116 2.038 1.00 0.00 C ATOM 463 CG LEU A 32 -1.291 -9.861 1.147 1.00 0.00 C ATOM 464 CD1 LEU A 32 -1.373 -10.094 -0.348 1.00 0.00 C ATOM 465 CD2 LEU A 32 -2.372 -8.857 1.495 1.00 0.00 C ATOM 0 H LEU A 32 0.262 -12.118 0.405 1.00 0.00 H new ATOM 0 HA LEU A 32 0.510 -11.050 3.040 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.990 -11.861 1.515 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.933 -10.850 2.945 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.288 -9.493 1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -1.291 -9.141 -0.870 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.559 -10.749 -0.659 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.328 -10.560 -0.592 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.277 -7.983 0.851 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.352 -9.312 1.348 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.265 -8.554 2.537 1.00 0.00 H new ATOM 477 N VAL A 33 -0.428 -12.864 4.573 1.00 0.00 N ATOM 478 CA VAL A 33 -0.716 -13.950 5.505 1.00 0.00 C ATOM 479 C VAL A 33 -1.593 -13.525 6.686 1.00 0.00 C ATOM 480 O VAL A 33 -2.348 -14.359 7.184 1.00 0.00 O ATOM 481 CB VAL A 33 0.595 -14.574 6.023 1.00 0.00 C ATOM 482 CG1 VAL A 33 1.232 -15.494 4.981 1.00 0.00 C ATOM 483 CG2 VAL A 33 1.644 -13.543 6.464 1.00 0.00 C ATOM 0 H VAL A 33 -0.285 -11.964 5.031 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.286 -14.690 4.943 1.00 0.00 H new ATOM 0 HB VAL A 33 0.295 -15.145 6.902 1.00 0.00 H new ATOM 0 HG11 VAL A 33 2.154 -15.915 5.382 1.00 0.00 H new ATOM 0 HG12 VAL A 33 0.541 -16.301 4.737 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.456 -14.923 4.080 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.537 -14.060 6.815 1.00 0.00 H new ATOM 0 HG22 VAL A 33 1.903 -12.904 5.620 1.00 0.00 H new ATOM 0 HG23 VAL A 33 1.238 -12.932 7.270 1.00 0.00 H new ATOM 493 N HIS A 34 -1.549 -12.270 7.141 1.00 0.00 N ATOM 494 CA HIS A 34 -2.360 -11.813 8.273 1.00 0.00 C ATOM 495 C HIS A 34 -3.245 -10.639 7.880 1.00 0.00 C ATOM 496 O HIS A 34 -2.937 -9.893 6.948 1.00 0.00 O ATOM 497 CB HIS A 34 -1.454 -11.414 9.448 1.00 0.00 C ATOM 498 CG HIS A 34 -0.410 -12.432 9.837 1.00 0.00 C ATOM 499 ND1 HIS A 34 0.885 -12.133 10.188 1.00 0.00 N ATOM 500 CD2 HIS A 34 -0.564 -13.790 9.931 1.00 0.00 C ATOM 501 CE1 HIS A 34 1.517 -13.288 10.454 1.00 0.00 C ATOM 502 NE2 HIS A 34 0.670 -14.327 10.325 1.00 0.00 N ATOM 0 H HIS A 34 -0.954 -11.546 6.738 1.00 0.00 H new ATOM 0 HA HIS A 34 -3.004 -12.638 8.578 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -0.950 -10.481 9.195 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.082 -11.213 10.316 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -1.470 -14.345 9.737 1.00 0.00 H new ATOM 0 HE1 HIS A 34 2.557 -13.372 10.732 1.00 0.00 H new ATOM 0 HE2 HIS A 34 0.884 -15.312 10.483 1.00 0.00 H new ATOM 510 N SER A 35 -4.356 -10.452 8.592 1.00 0.00 N ATOM 511 CA SER A 35 -5.267 -9.349 8.326 1.00 0.00 C ATOM 512 C SER A 35 -4.502 -8.025 8.495 1.00 0.00 C ATOM 513 O SER A 35 -3.689 -7.883 9.417 1.00 0.00 O ATOM 514 CB SER A 35 -6.511 -9.436 9.231 1.00 0.00 C ATOM 515 OG SER A 35 -6.269 -10.047 10.497 1.00 0.00 O ATOM 0 H SER A 35 -4.644 -11.057 9.361 1.00 0.00 H new ATOM 0 HA SER A 35 -5.635 -9.403 7.301 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.900 -8.431 9.393 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.287 -9.998 8.711 1.00 0.00 H new ATOM 0 HG SER A 35 -7.100 -10.066 11.016 1.00 0.00 H new ATOM 521 N GLY A 36 -4.749 -7.050 7.620 1.00 0.00 N ATOM 522 CA GLY A 36 -4.080 -5.766 7.687 1.00 0.00 C ATOM 523 C GLY A 36 -2.735 -5.765 6.976 1.00 0.00 C ATOM 524 O GLY A 36 -2.102 -4.706 6.923 1.00 0.00 O ATOM 0 H GLY A 36 -5.415 -7.134 6.852 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.721 -5.004 7.244 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -3.934 -5.491 8.732 1.00 0.00 H new ATOM 528 N ASP A 37 -2.275 -6.917 6.473 1.00 0.00 N ATOM 529 CA ASP A 37 -1.019 -6.991 5.751 1.00 0.00 C ATOM 530 C ASP A 37 -1.291 -6.288 4.432 1.00 0.00 C ATOM 531 O ASP A 37 -2.277 -6.631 3.782 1.00 0.00 O ATOM 532 CB ASP A 37 -0.623 -8.442 5.408 1.00 0.00 C ATOM 533 CG ASP A 37 0.093 -9.216 6.511 1.00 0.00 C ATOM 534 OD1 ASP A 37 0.339 -8.651 7.605 1.00 0.00 O ATOM 535 OD2 ASP A 37 0.443 -10.393 6.249 1.00 0.00 O ATOM 0 H ASP A 37 -2.763 -7.809 6.558 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.220 -6.558 6.352 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.525 -8.989 5.134 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.019 -8.424 4.528 1.00 0.00 H new ATOM 540 N PHE A 38 -0.447 -5.353 4.011 1.00 0.00 N ATOM 541 CA PHE A 38 -0.583 -4.641 2.750 1.00 0.00 C ATOM 542 C PHE A 38 0.740 -4.563 1.985 1.00 0.00 C ATOM 543 O PHE A 38 1.832 -4.621 2.559 1.00 0.00 O ATOM 544 CB PHE A 38 -1.126 -3.223 2.990 1.00 0.00 C ATOM 545 CG PHE A 38 -0.093 -2.201 3.440 1.00 0.00 C ATOM 546 CD1 PHE A 38 0.207 -2.033 4.804 1.00 0.00 C ATOM 547 CD2 PHE A 38 0.594 -1.432 2.478 1.00 0.00 C ATOM 548 CE1 PHE A 38 1.194 -1.110 5.198 1.00 0.00 C ATOM 549 CE2 PHE A 38 1.569 -0.504 2.878 1.00 0.00 C ATOM 550 CZ PHE A 38 1.875 -0.349 4.235 1.00 0.00 C ATOM 0 H PHE A 38 0.369 -5.064 4.551 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.288 -5.205 2.140 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.588 -2.867 2.069 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.913 -3.275 3.742 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.320 -2.612 5.548 1.00 0.00 H new ATOM 0 HD2 PHE A 38 0.369 -1.557 1.429 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.428 -0.987 6.245 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.083 0.091 2.138 1.00 0.00 H new ATOM 0 HZ PHE A 38 2.634 0.355 4.541 1.00 0.00 H new ATOM 560 N LEU A 39 0.619 -4.404 0.667 1.00 0.00 N ATOM 561 CA LEU A 39 1.717 -4.285 -0.281 1.00 0.00 C ATOM 562 C LEU A 39 1.222 -3.490 -1.488 1.00 0.00 C ATOM 563 O LEU A 39 0.012 -3.313 -1.671 1.00 0.00 O ATOM 564 CB LEU A 39 2.321 -5.666 -0.634 1.00 0.00 C ATOM 565 CG LEU A 39 1.651 -6.598 -1.673 1.00 0.00 C ATOM 566 CD1 LEU A 39 0.169 -6.760 -1.405 1.00 0.00 C ATOM 567 CD2 LEU A 39 1.812 -6.169 -3.140 1.00 0.00 C ATOM 0 H LEU A 39 -0.293 -4.353 0.214 1.00 0.00 H new ATOM 0 HA LEU A 39 2.549 -3.737 0.162 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.340 -5.488 -0.978 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.393 -6.228 0.297 1.00 0.00 H new ATOM 0 HG LEU A 39 2.187 -7.538 -1.544 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.266 -7.421 -2.155 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.023 -7.190 -0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.318 -5.786 -1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.308 -6.887 -3.787 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.372 -5.182 -3.281 1.00 0.00 H new ATOM 0 HD23 LEU A 39 2.871 -6.133 -3.395 1.00 0.00 H new ATOM 579 N VAL A 40 2.142 -3.020 -2.327 1.00 0.00 N ATOM 580 CA VAL A 40 1.854 -2.250 -3.525 1.00 0.00 C ATOM 581 C VAL A 40 2.583 -2.905 -4.692 1.00 0.00 C ATOM 582 O VAL A 40 3.747 -3.303 -4.581 1.00 0.00 O ATOM 583 CB VAL A 40 2.278 -0.776 -3.339 1.00 0.00 C ATOM 584 CG1 VAL A 40 2.038 0.078 -4.596 1.00 0.00 C ATOM 585 CG2 VAL A 40 1.522 -0.118 -2.175 1.00 0.00 C ATOM 0 H VAL A 40 3.140 -3.172 -2.183 1.00 0.00 H new ATOM 0 HA VAL A 40 0.783 -2.244 -3.727 1.00 0.00 H new ATOM 0 HB VAL A 40 3.347 -0.810 -3.131 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.355 1.103 -4.405 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.612 -0.330 -5.428 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.977 0.067 -4.846 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.844 0.918 -2.072 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.451 -0.147 -2.374 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.734 -0.658 -1.252 1.00 0.00 H new ATOM 595 N ARG A 41 1.888 -3.038 -5.822 1.00 0.00 N ATOM 596 CA ARG A 41 2.442 -3.613 -7.043 1.00 0.00 C ATOM 597 C ARG A 41 2.163 -2.635 -8.176 1.00 0.00 C ATOM 598 O ARG A 41 1.246 -1.819 -8.079 1.00 0.00 O ATOM 599 CB ARG A 41 1.871 -5.020 -7.297 1.00 0.00 C ATOM 600 CG ARG A 41 0.351 -5.012 -7.551 1.00 0.00 C ATOM 601 CD ARG A 41 -0.190 -6.429 -7.771 1.00 0.00 C ATOM 602 NE ARG A 41 -1.519 -6.603 -7.149 1.00 0.00 N ATOM 603 CZ ARG A 41 -2.695 -6.782 -7.760 1.00 0.00 C ATOM 604 NH1 ARG A 41 -2.813 -6.782 -9.083 1.00 0.00 N ATOM 605 NH2 ARG A 41 -3.772 -6.971 -7.009 1.00 0.00 N ATOM 0 H ARG A 41 0.915 -2.746 -5.914 1.00 0.00 H new ATOM 0 HA ARG A 41 3.520 -3.754 -6.960 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.376 -5.462 -8.156 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.088 -5.655 -6.438 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -0.158 -4.555 -6.703 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.130 -4.398 -8.424 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.258 -6.632 -8.840 1.00 0.00 H new ATOM 0 HD3 ARG A 41 0.507 -7.155 -7.352 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.542 -6.584 -6.129 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -1.990 -6.642 -9.668 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -3.727 -6.922 -9.513 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -3.690 -6.977 -5.992 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.682 -7.110 -7.448 1.00 0.00 H new ATOM 619 N GLU A 42 2.967 -2.695 -9.225 1.00 0.00 N ATOM 620 CA GLU A 42 2.837 -1.850 -10.404 1.00 0.00 C ATOM 621 C GLU A 42 2.113 -2.677 -11.466 1.00 0.00 C ATOM 622 O GLU A 42 2.250 -3.907 -11.464 1.00 0.00 O ATOM 623 CB GLU A 42 4.249 -1.437 -10.823 1.00 0.00 C ATOM 624 CG GLU A 42 4.302 -0.442 -11.981 1.00 0.00 C ATOM 625 CD GLU A 42 5.734 0.066 -12.139 1.00 0.00 C ATOM 626 OE1 GLU A 42 6.148 0.919 -11.322 1.00 0.00 O ATOM 627 OE2 GLU A 42 6.470 -0.453 -13.014 1.00 0.00 O ATOM 0 H GLU A 42 3.748 -3.349 -9.283 1.00 0.00 H new ATOM 0 HA GLU A 42 2.261 -0.940 -10.234 1.00 0.00 H new ATOM 0 HB2 GLU A 42 4.756 -1.001 -9.963 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.807 -2.331 -11.103 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.969 -0.919 -12.902 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.626 0.392 -11.791 1.00 0.00 H new ATOM 634 N SER A 43 1.309 -2.040 -12.322 1.00 0.00 N ATOM 635 CA SER A 43 0.568 -2.732 -13.378 1.00 0.00 C ATOM 636 C SER A 43 1.509 -3.339 -14.423 1.00 0.00 C ATOM 637 O SER A 43 2.707 -3.060 -14.460 1.00 0.00 O ATOM 638 CB SER A 43 -0.478 -1.815 -14.042 1.00 0.00 C ATOM 639 OG SER A 43 -0.318 -0.442 -13.750 1.00 0.00 O ATOM 0 H SER A 43 1.154 -1.032 -12.302 1.00 0.00 H new ATOM 0 HA SER A 43 0.029 -3.550 -12.900 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.431 -1.952 -15.122 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.472 -2.128 -13.724 1.00 0.00 H new ATOM 0 HG SER A 43 -0.514 -0.284 -12.803 1.00 0.00 H new ATOM 645 N GLN A 44 0.962 -4.185 -15.294 1.00 0.00 N ATOM 646 CA GLN A 44 1.699 -4.854 -16.344 1.00 0.00 C ATOM 647 C GLN A 44 1.862 -3.887 -17.517 1.00 0.00 C ATOM 648 O GLN A 44 0.973 -3.752 -18.356 1.00 0.00 O ATOM 649 CB GLN A 44 0.996 -6.175 -16.697 1.00 0.00 C ATOM 650 CG GLN A 44 1.867 -7.083 -17.586 1.00 0.00 C ATOM 651 CD GLN A 44 1.606 -8.578 -17.380 1.00 0.00 C ATOM 652 OE1 GLN A 44 0.688 -9.005 -16.684 1.00 0.00 O ATOM 653 NE2 GLN A 44 2.434 -9.434 -17.946 1.00 0.00 N ATOM 0 H GLN A 44 -0.029 -4.424 -15.282 1.00 0.00 H new ATOM 0 HA GLN A 44 2.705 -5.130 -16.027 1.00 0.00 H new ATOM 0 HB2 GLN A 44 0.742 -6.705 -15.779 1.00 0.00 H new ATOM 0 HB3 GLN A 44 0.059 -5.959 -17.210 1.00 0.00 H new ATOM 0 HG2 GLN A 44 1.688 -6.833 -18.632 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.918 -6.875 -17.384 1.00 0.00 H new ATOM 0 HE21 GLN A 44 3.201 -9.094 -18.527 1.00 0.00 H new ATOM 0 HE22 GLN A 44 2.308 -10.436 -17.803 1.00 0.00 H new ATOM 662 N GLY A 45 2.977 -3.160 -17.536 1.00 0.00 N ATOM 663 CA GLY A 45 3.344 -2.194 -18.564 1.00 0.00 C ATOM 664 C GLY A 45 2.804 -0.789 -18.327 1.00 0.00 C ATOM 665 O GLY A 45 3.021 0.079 -19.170 1.00 0.00 O ATOM 0 H GLY A 45 3.680 -3.233 -16.801 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.431 -2.146 -18.630 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.982 -2.552 -19.528 1.00 0.00 H new ATOM 669 N LYS A 46 2.066 -0.546 -17.242 1.00 0.00 N ATOM 670 CA LYS A 46 1.498 0.763 -16.922 1.00 0.00 C ATOM 671 C LYS A 46 1.988 1.189 -15.540 1.00 0.00 C ATOM 672 O LYS A 46 2.297 0.331 -14.709 1.00 0.00 O ATOM 673 CB LYS A 46 -0.042 0.715 -16.961 1.00 0.00 C ATOM 674 CG LYS A 46 -0.692 0.509 -18.340 1.00 0.00 C ATOM 675 CD LYS A 46 -0.627 -0.934 -18.867 1.00 0.00 C ATOM 676 CE LYS A 46 -1.761 -1.231 -19.852 1.00 0.00 C ATOM 677 NZ LYS A 46 -3.068 -1.389 -19.178 1.00 0.00 N ATOM 0 H LYS A 46 1.844 -1.264 -16.552 1.00 0.00 H new ATOM 0 HA LYS A 46 1.824 1.491 -17.665 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.374 -0.089 -16.305 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.422 1.646 -16.541 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -1.737 0.815 -18.284 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.205 1.167 -19.059 1.00 0.00 H new ATOM 0 HD2 LYS A 46 0.333 -1.099 -19.357 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.681 -1.630 -18.030 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.827 -0.423 -20.580 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.529 -2.141 -20.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.763 -1.769 -19.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.968 -2.045 -18.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.393 -0.464 -18.830 1.00 0.00 H new ATOM 691 N GLN A 47 1.988 2.500 -15.276 1.00 0.00 N ATOM 692 CA GLN A 47 2.439 3.052 -13.999 1.00 0.00 C ATOM 693 C GLN A 47 1.251 3.310 -13.067 1.00 0.00 C ATOM 694 O GLN A 47 1.158 4.358 -12.427 1.00 0.00 O ATOM 695 CB GLN A 47 3.356 4.272 -14.215 1.00 0.00 C ATOM 696 CG GLN A 47 4.543 4.007 -15.165 1.00 0.00 C ATOM 697 CD GLN A 47 5.274 2.691 -14.887 1.00 0.00 C ATOM 698 OE1 GLN A 47 4.980 1.665 -15.493 1.00 0.00 O ATOM 699 NE2 GLN A 47 6.211 2.673 -13.957 1.00 0.00 N ATOM 0 H GLN A 47 1.675 3.206 -15.943 1.00 0.00 H new ATOM 0 HA GLN A 47 3.058 2.315 -13.487 1.00 0.00 H new ATOM 0 HB2 GLN A 47 2.762 5.094 -14.614 1.00 0.00 H new ATOM 0 HB3 GLN A 47 3.743 4.598 -13.249 1.00 0.00 H new ATOM 0 HG2 GLN A 47 4.180 4.000 -16.193 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.253 4.830 -15.083 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.450 3.529 -13.457 1.00 0.00 H new ATOM 0 HE22 GLN A 47 6.696 1.803 -13.738 1.00 0.00 H new ATOM 708 N GLU A 48 0.281 2.394 -13.043 1.00 0.00 N ATOM 709 CA GLU A 48 -0.883 2.497 -12.176 1.00 0.00 C ATOM 710 C GLU A 48 -0.628 1.504 -11.044 1.00 0.00 C ATOM 711 O GLU A 48 -0.693 0.286 -11.255 1.00 0.00 O ATOM 712 CB GLU A 48 -2.192 2.238 -12.932 1.00 0.00 C ATOM 713 CG GLU A 48 -3.388 2.408 -11.996 1.00 0.00 C ATOM 714 CD GLU A 48 -3.829 3.862 -11.856 1.00 0.00 C ATOM 715 OE1 GLU A 48 -3.045 4.670 -11.311 1.00 0.00 O ATOM 716 OE2 GLU A 48 -4.960 4.161 -12.305 1.00 0.00 O ATOM 0 H GLU A 48 0.285 1.559 -13.628 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.012 3.505 -11.782 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.278 2.928 -13.771 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.187 1.230 -13.347 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.223 1.815 -12.369 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.132 2.015 -11.012 1.00 0.00 H new ATOM 723 N TYR A 49 -0.245 2.009 -9.880 1.00 0.00 N ATOM 724 CA TYR A 49 0.044 1.204 -8.712 1.00 0.00 C ATOM 725 C TYR A 49 -1.266 0.621 -8.188 1.00 0.00 C ATOM 726 O TYR A 49 -2.341 1.179 -8.426 1.00 0.00 O ATOM 727 CB TYR A 49 0.735 2.088 -7.670 1.00 0.00 C ATOM 728 CG TYR A 49 2.026 2.741 -8.132 1.00 0.00 C ATOM 729 CD1 TYR A 49 3.147 1.956 -8.466 1.00 0.00 C ATOM 730 CD2 TYR A 49 2.101 4.142 -8.239 1.00 0.00 C ATOM 731 CE1 TYR A 49 4.346 2.570 -8.884 1.00 0.00 C ATOM 732 CE2 TYR A 49 3.298 4.763 -8.636 1.00 0.00 C ATOM 733 CZ TYR A 49 4.432 3.981 -8.950 1.00 0.00 C ATOM 734 OH TYR A 49 5.596 4.605 -9.292 1.00 0.00 O ATOM 0 H TYR A 49 -0.125 3.010 -9.723 1.00 0.00 H new ATOM 0 HA TYR A 49 0.712 0.376 -8.951 1.00 0.00 H new ATOM 0 HB2 TYR A 49 0.041 2.870 -7.362 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.947 1.484 -6.788 1.00 0.00 H new ATOM 0 HD1 TYR A 49 3.088 0.880 -8.402 1.00 0.00 H new ATOM 0 HD2 TYR A 49 1.233 4.744 -8.015 1.00 0.00 H new ATOM 0 HE1 TYR A 49 5.198 1.964 -9.154 1.00 0.00 H new ATOM 0 HE2 TYR A 49 3.351 5.840 -8.701 1.00 0.00 H new ATOM 0 HH TYR A 49 5.461 5.576 -9.285 1.00 0.00 H new ATOM 744 N VAL A 50 -1.202 -0.485 -7.451 1.00 0.00 N ATOM 745 CA VAL A 50 -2.368 -1.153 -6.887 1.00 0.00 C ATOM 746 C VAL A 50 -2.040 -1.592 -5.473 1.00 0.00 C ATOM 747 O VAL A 50 -1.057 -2.312 -5.268 1.00 0.00 O ATOM 748 CB VAL A 50 -2.766 -2.361 -7.767 1.00 0.00 C ATOM 749 CG1 VAL A 50 -3.724 -3.336 -7.057 1.00 0.00 C ATOM 750 CG2 VAL A 50 -3.444 -1.891 -9.054 1.00 0.00 C ATOM 0 H VAL A 50 -0.322 -0.949 -7.226 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.216 -0.469 -6.861 1.00 0.00 H new ATOM 0 HB VAL A 50 -1.835 -2.886 -7.984 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.965 -4.161 -7.727 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.246 -3.726 -6.158 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.639 -2.812 -6.783 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.716 -2.756 -9.659 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.342 -1.325 -8.806 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.758 -1.257 -9.616 1.00 0.00 H new ATOM 760 N LEU A 51 -2.839 -1.127 -4.510 1.00 0.00 N ATOM 761 CA LEU A 51 -2.691 -1.492 -3.114 1.00 0.00 C ATOM 762 C LEU A 51 -3.442 -2.806 -2.970 1.00 0.00 C ATOM 763 O LEU A 51 -4.573 -2.933 -3.462 1.00 0.00 O ATOM 764 CB LEU A 51 -3.367 -0.463 -2.195 1.00 0.00 C ATOM 765 CG LEU A 51 -3.143 -0.745 -0.693 1.00 0.00 C ATOM 766 CD1 LEU A 51 -1.699 -0.495 -0.256 1.00 0.00 C ATOM 767 CD2 LEU A 51 -4.075 0.119 0.155 1.00 0.00 C ATOM 0 H LEU A 51 -3.610 -0.483 -4.686 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.638 -1.550 -2.840 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.986 0.531 -2.432 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.438 -0.451 -2.400 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.362 -1.802 -0.540 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.599 -0.709 0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.030 -1.144 -0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.437 0.546 -0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.905 -0.091 1.211 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.875 1.172 -0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -5.111 -0.107 -0.098 1.00 0.00 H new ATOM 779 N SER A 52 -2.847 -3.788 -2.309 1.00 0.00 N ATOM 780 CA SER A 52 -3.498 -5.059 -2.100 1.00 0.00 C ATOM 781 C SER A 52 -3.288 -5.351 -0.618 1.00 0.00 C ATOM 782 O SER A 52 -2.160 -5.268 -0.137 1.00 0.00 O ATOM 783 CB SER A 52 -2.909 -6.068 -3.098 1.00 0.00 C ATOM 784 OG SER A 52 -3.790 -7.113 -3.398 1.00 0.00 O ATOM 0 H SER A 52 -1.911 -3.722 -1.909 1.00 0.00 H new ATOM 0 HA SER A 52 -4.570 -5.095 -2.296 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.643 -5.548 -4.018 1.00 0.00 H new ATOM 0 HB3 SER A 52 -1.988 -6.482 -2.688 1.00 0.00 H new ATOM 0 HG SER A 52 -4.491 -6.787 -4.001 1.00 0.00 H new ATOM 790 N VAL A 53 -4.361 -5.569 0.143 1.00 0.00 N ATOM 791 CA VAL A 53 -4.256 -5.886 1.574 1.00 0.00 C ATOM 792 C VAL A 53 -5.041 -7.176 1.853 1.00 0.00 C ATOM 793 O VAL A 53 -5.736 -7.648 0.953 1.00 0.00 O ATOM 794 CB VAL A 53 -4.583 -4.684 2.496 1.00 0.00 C ATOM 795 CG1 VAL A 53 -4.363 -3.307 1.860 1.00 0.00 C ATOM 796 CG2 VAL A 53 -5.971 -4.681 3.060 1.00 0.00 C ATOM 0 H VAL A 53 -5.318 -5.532 -0.207 1.00 0.00 H new ATOM 0 HA VAL A 53 -3.216 -6.084 1.832 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.860 -4.842 3.297 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -4.618 -2.529 2.580 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -3.318 -3.204 1.569 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -4.997 -3.208 0.979 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.105 -3.803 3.691 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.695 -4.656 2.245 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.124 -5.582 3.654 1.00 0.00 H new ATOM 806 N LEU A 54 -4.933 -7.784 3.035 1.00 0.00 N ATOM 807 CA LEU A 54 -5.654 -9.012 3.384 1.00 0.00 C ATOM 808 C LEU A 54 -6.640 -8.689 4.491 1.00 0.00 C ATOM 809 O LEU A 54 -6.299 -7.975 5.435 1.00 0.00 O ATOM 810 CB LEU A 54 -4.673 -10.113 3.824 1.00 0.00 C ATOM 811 CG LEU A 54 -5.321 -11.416 4.335 1.00 0.00 C ATOM 812 CD1 LEU A 54 -6.178 -12.087 3.259 1.00 0.00 C ATOM 813 CD2 LEU A 54 -4.231 -12.400 4.750 1.00 0.00 C ATOM 0 H LEU A 54 -4.337 -7.435 3.786 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.191 -9.387 2.513 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.026 -10.356 2.981 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.034 -9.713 4.611 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.957 -11.152 5.180 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.616 -13.001 3.660 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.973 -11.408 2.952 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.556 -12.330 2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.690 -13.320 5.111 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.596 -12.623 3.892 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.627 -11.960 5.544 1.00 0.00 H new ATOM 825 N TRP A 55 -7.866 -9.191 4.376 1.00 0.00 N ATOM 826 CA TRP A 55 -8.910 -8.988 5.363 1.00 0.00 C ATOM 827 C TRP A 55 -9.923 -10.106 5.190 1.00 0.00 C ATOM 828 O TRP A 55 -10.232 -10.472 4.054 1.00 0.00 O ATOM 829 CB TRP A 55 -9.581 -7.635 5.141 1.00 0.00 C ATOM 830 CG TRP A 55 -10.188 -7.021 6.362 1.00 0.00 C ATOM 831 CD1 TRP A 55 -11.501 -7.029 6.682 1.00 0.00 C ATOM 832 CD2 TRP A 55 -9.525 -6.247 7.406 1.00 0.00 C ATOM 833 NE1 TRP A 55 -11.694 -6.290 7.831 1.00 0.00 N ATOM 834 CE2 TRP A 55 -10.512 -5.776 8.320 1.00 0.00 C ATOM 835 CE3 TRP A 55 -8.192 -5.858 7.646 1.00 0.00 C ATOM 836 CZ2 TRP A 55 -10.186 -4.963 9.419 1.00 0.00 C ATOM 837 CZ3 TRP A 55 -7.857 -5.052 8.747 1.00 0.00 C ATOM 838 CH2 TRP A 55 -8.848 -4.602 9.634 1.00 0.00 C ATOM 0 H TRP A 55 -8.162 -9.758 3.581 1.00 0.00 H new ATOM 0 HA TRP A 55 -8.495 -8.999 6.371 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -8.844 -6.943 4.734 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -10.359 -7.752 4.387 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -12.277 -7.534 6.126 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -12.604 -6.141 8.267 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -7.414 -6.185 6.972 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -10.958 -4.620 10.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -6.826 -4.776 8.913 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -8.581 -3.982 10.477 1.00 0.00 H new ATOM 849 N ASP A 56 -10.442 -10.640 6.294 1.00 0.00 N ATOM 850 CA ASP A 56 -11.441 -11.714 6.316 1.00 0.00 C ATOM 851 C ASP A 56 -11.004 -12.953 5.509 1.00 0.00 C ATOM 852 O ASP A 56 -11.830 -13.727 5.009 1.00 0.00 O ATOM 853 CB ASP A 56 -12.799 -11.134 5.876 1.00 0.00 C ATOM 854 CG ASP A 56 -13.987 -11.565 6.729 1.00 0.00 C ATOM 855 OD1 ASP A 56 -13.902 -12.537 7.512 1.00 0.00 O ATOM 856 OD2 ASP A 56 -14.991 -10.814 6.696 1.00 0.00 O ATOM 0 H ASP A 56 -10.173 -10.330 7.228 1.00 0.00 H new ATOM 0 HA ASP A 56 -11.544 -12.091 7.334 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.735 -10.046 5.891 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.986 -11.428 4.843 1.00 0.00 H new ATOM 861 N GLY A 57 -9.691 -13.140 5.350 1.00 0.00 N ATOM 862 CA GLY A 57 -9.109 -14.248 4.615 1.00 0.00 C ATOM 863 C GLY A 57 -9.208 -14.085 3.096 1.00 0.00 C ATOM 864 O GLY A 57 -9.158 -15.092 2.391 1.00 0.00 O ATOM 0 H GLY A 57 -8.994 -12.506 5.741 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.061 -14.350 4.895 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -9.608 -15.172 4.908 1.00 0.00 H new ATOM 868 N LEU A 58 -9.392 -12.873 2.559 1.00 0.00 N ATOM 869 CA LEU A 58 -9.480 -12.618 1.121 1.00 0.00 C ATOM 870 C LEU A 58 -8.596 -11.416 0.772 1.00 0.00 C ATOM 871 O LEU A 58 -8.761 -10.367 1.400 1.00 0.00 O ATOM 872 CB LEU A 58 -10.938 -12.329 0.719 1.00 0.00 C ATOM 873 CG LEU A 58 -11.133 -12.155 -0.803 1.00 0.00 C ATOM 874 CD1 LEU A 58 -11.131 -13.508 -1.525 1.00 0.00 C ATOM 875 CD2 LEU A 58 -12.453 -11.438 -1.096 1.00 0.00 C ATOM 0 H LEU A 58 -9.485 -12.029 3.124 1.00 0.00 H new ATOM 0 HA LEU A 58 -9.138 -13.498 0.576 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -11.571 -13.145 1.068 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -11.274 -11.425 1.226 1.00 0.00 H new ATOM 0 HG LEU A 58 -10.299 -11.557 -1.170 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.270 -13.350 -2.594 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.179 -14.011 -1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -11.942 -14.127 -1.141 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -12.574 -11.324 -2.173 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -13.281 -12.024 -0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -12.445 -10.455 -0.626 1.00 0.00 H new ATOM 887 N PRO A 59 -7.666 -11.515 -0.195 1.00 0.00 N ATOM 888 CA PRO A 59 -6.820 -10.395 -0.585 1.00 0.00 C ATOM 889 C PRO A 59 -7.705 -9.347 -1.277 1.00 0.00 C ATOM 890 O PRO A 59 -8.263 -9.576 -2.354 1.00 0.00 O ATOM 891 CB PRO A 59 -5.732 -10.993 -1.484 1.00 0.00 C ATOM 892 CG PRO A 59 -6.378 -12.243 -2.069 1.00 0.00 C ATOM 893 CD PRO A 59 -7.359 -12.694 -0.994 1.00 0.00 C ATOM 0 HA PRO A 59 -6.337 -9.880 0.246 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -5.434 -10.295 -2.266 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -4.835 -11.237 -0.915 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -6.888 -12.026 -3.008 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -5.636 -13.013 -2.280 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -8.263 -13.106 -1.442 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -6.924 -13.479 -0.376 1.00 0.00 H new ATOM 901 N ARG A 60 -7.906 -8.213 -0.612 1.00 0.00 N ATOM 902 CA ARG A 60 -8.715 -7.091 -1.046 1.00 0.00 C ATOM 903 C ARG A 60 -7.884 -6.185 -1.940 1.00 0.00 C ATOM 904 O ARG A 60 -6.838 -5.690 -1.514 1.00 0.00 O ATOM 905 CB ARG A 60 -9.184 -6.320 0.199 1.00 0.00 C ATOM 906 CG ARG A 60 -9.799 -7.172 1.322 1.00 0.00 C ATOM 907 CD ARG A 60 -10.922 -8.101 0.834 1.00 0.00 C ATOM 908 NE ARG A 60 -11.598 -8.779 1.950 1.00 0.00 N ATOM 909 CZ ARG A 60 -12.596 -8.273 2.681 1.00 0.00 C ATOM 910 NH1 ARG A 60 -12.931 -6.999 2.567 1.00 0.00 N ATOM 911 NH2 ARG A 60 -13.267 -9.034 3.525 1.00 0.00 N ATOM 0 H ARG A 60 -7.480 -8.048 0.300 1.00 0.00 H new ATOM 0 HA ARG A 60 -9.580 -7.441 -1.609 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.333 -5.774 0.607 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -9.919 -5.578 -0.112 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.015 -7.772 1.784 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -10.193 -6.512 2.095 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -11.651 -7.522 0.266 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -10.507 -8.846 0.155 1.00 0.00 H new ATOM 0 HE ARG A 60 -11.277 -9.718 2.187 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -12.427 -6.395 1.918 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -13.694 -6.620 3.128 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.026 -10.020 3.625 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -14.027 -8.636 4.077 1.00 0.00 H new ATOM 925 N HIS A 61 -8.337 -5.959 -3.169 1.00 0.00 N ATOM 926 CA HIS A 61 -7.655 -5.106 -4.126 1.00 0.00 C ATOM 927 C HIS A 61 -8.318 -3.732 -4.131 1.00 0.00 C ATOM 928 O HIS A 61 -9.542 -3.642 -4.268 1.00 0.00 O ATOM 929 CB HIS A 61 -7.734 -5.755 -5.512 1.00 0.00 C ATOM 930 CG HIS A 61 -7.156 -7.144 -5.521 1.00 0.00 C ATOM 931 ND1 HIS A 61 -5.965 -7.504 -4.954 1.00 0.00 N ATOM 932 CD2 HIS A 61 -7.716 -8.277 -6.037 1.00 0.00 C ATOM 933 CE1 HIS A 61 -5.760 -8.806 -5.170 1.00 0.00 C ATOM 934 NE2 HIS A 61 -6.816 -9.331 -5.818 1.00 0.00 N ATOM 0 H HIS A 61 -9.198 -6.370 -3.529 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.607 -4.985 -3.853 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -8.774 -5.794 -5.835 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -7.200 -5.136 -6.233 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -8.677 -8.349 -6.525 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -4.880 -9.355 -4.870 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -6.938 -10.305 -6.096 1.00 0.00 H new ATOM 942 N PHE A 62 -7.517 -2.672 -4.006 1.00 0.00 N ATOM 943 CA PHE A 62 -7.995 -1.301 -4.013 1.00 0.00 C ATOM 944 C PHE A 62 -7.205 -0.505 -5.048 1.00 0.00 C ATOM 945 O PHE A 62 -6.078 -0.074 -4.788 1.00 0.00 O ATOM 946 CB PHE A 62 -7.928 -0.691 -2.611 1.00 0.00 C ATOM 947 CG PHE A 62 -8.736 -1.435 -1.566 1.00 0.00 C ATOM 948 CD1 PHE A 62 -10.131 -1.258 -1.512 1.00 0.00 C ATOM 949 CD2 PHE A 62 -8.107 -2.305 -0.653 1.00 0.00 C ATOM 950 CE1 PHE A 62 -10.885 -1.898 -0.516 1.00 0.00 C ATOM 951 CE2 PHE A 62 -8.857 -2.899 0.374 1.00 0.00 C ATOM 952 CZ PHE A 62 -10.241 -2.679 0.457 1.00 0.00 C ATOM 0 H PHE A 62 -6.506 -2.750 -3.896 1.00 0.00 H new ATOM 0 HA PHE A 62 -9.046 -1.273 -4.299 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.886 -0.658 -2.292 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -8.280 0.340 -2.659 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -10.623 -0.628 -2.239 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -7.051 -2.514 -0.743 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -11.959 -1.790 -0.498 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.368 -3.528 1.103 1.00 0.00 H new ATOM 0 HZ PHE A 62 -10.809 -3.110 1.268 1.00 0.00 H new ATOM 962 N ILE A 63 -7.790 -0.381 -6.243 1.00 0.00 N ATOM 963 CA ILE A 63 -7.235 0.351 -7.379 1.00 0.00 C ATOM 964 C ILE A 63 -7.040 1.785 -6.880 1.00 0.00 C ATOM 965 O ILE A 63 -7.998 2.408 -6.415 1.00 0.00 O ATOM 966 CB ILE A 63 -8.188 0.226 -8.598 1.00 0.00 C ATOM 967 CG1 ILE A 63 -8.199 -1.248 -9.073 1.00 0.00 C ATOM 968 CG2 ILE A 63 -7.841 1.147 -9.789 1.00 0.00 C ATOM 969 CD1 ILE A 63 -9.255 -1.563 -10.137 1.00 0.00 C ATOM 0 H ILE A 63 -8.695 -0.803 -6.450 1.00 0.00 H new ATOM 0 HA ILE A 63 -6.280 -0.040 -7.730 1.00 0.00 H new ATOM 0 HB ILE A 63 -9.170 0.551 -8.253 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -7.215 -1.496 -9.471 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.366 -1.893 -8.211 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -8.561 0.990 -10.592 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -7.878 2.188 -9.467 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -6.839 0.914 -10.149 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -9.192 -2.616 -10.412 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -10.247 -1.351 -9.739 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -9.078 -0.947 -11.019 1.00 0.00 H new ATOM 981 N ILE A 64 -5.797 2.264 -6.869 1.00 0.00 N ATOM 982 CA ILE A 64 -5.443 3.604 -6.424 1.00 0.00 C ATOM 983 C ILE A 64 -6.102 4.597 -7.383 1.00 0.00 C ATOM 984 O ILE A 64 -6.242 4.302 -8.573 1.00 0.00 O ATOM 985 CB ILE A 64 -3.902 3.712 -6.314 1.00 0.00 C ATOM 986 CG1 ILE A 64 -3.439 2.813 -5.141 1.00 0.00 C ATOM 987 CG2 ILE A 64 -3.405 5.154 -6.108 1.00 0.00 C ATOM 988 CD1 ILE A 64 -1.951 2.481 -5.137 1.00 0.00 C ATOM 0 H ILE A 64 -4.993 1.717 -7.177 1.00 0.00 H new ATOM 0 HA ILE A 64 -5.815 3.838 -5.426 1.00 0.00 H new ATOM 0 HB ILE A 64 -3.472 3.382 -7.259 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -3.689 3.308 -4.202 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -4.004 1.882 -5.171 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.317 5.158 -6.039 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.717 5.770 -6.951 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.828 5.557 -5.188 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.722 1.848 -4.280 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -1.693 1.955 -6.056 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.373 3.403 -5.072 1.00 0.00 H new ATOM 1000 N GLN A 65 -6.507 5.767 -6.880 1.00 0.00 N ATOM 1001 CA GLN A 65 -7.164 6.794 -7.671 1.00 0.00 C ATOM 1002 C GLN A 65 -6.435 8.121 -7.520 1.00 0.00 C ATOM 1003 O GLN A 65 -6.359 8.710 -6.436 1.00 0.00 O ATOM 1004 CB GLN A 65 -8.637 6.927 -7.276 1.00 0.00 C ATOM 1005 CG GLN A 65 -9.412 5.603 -7.231 1.00 0.00 C ATOM 1006 CD GLN A 65 -9.893 5.062 -8.579 1.00 0.00 C ATOM 1007 OE1 GLN A 65 -11.096 4.881 -8.776 1.00 0.00 O ATOM 1008 NE2 GLN A 65 -9.008 4.761 -9.516 1.00 0.00 N ATOM 0 H GLN A 65 -6.383 6.024 -5.901 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.128 6.500 -8.720 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.695 7.399 -6.295 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.129 7.596 -7.982 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -8.778 4.849 -6.765 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -10.279 5.734 -6.584 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.014 4.913 -9.346 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -9.320 4.377 -10.408 1.00 0.00 H new ATOM 1017 N SER A 66 -5.908 8.581 -8.640 1.00 0.00 N ATOM 1018 CA SER A 66 -5.167 9.824 -8.795 1.00 0.00 C ATOM 1019 C SER A 66 -5.993 10.741 -9.686 1.00 0.00 C ATOM 1020 O SER A 66 -6.067 10.498 -10.896 1.00 0.00 O ATOM 1021 CB SER A 66 -3.775 9.591 -9.390 1.00 0.00 C ATOM 1022 OG SER A 66 -3.591 8.333 -10.020 1.00 0.00 O ATOM 0 H SER A 66 -5.989 8.069 -9.518 1.00 0.00 H new ATOM 0 HA SER A 66 -5.006 10.279 -7.818 1.00 0.00 H new ATOM 0 HB2 SER A 66 -3.572 10.377 -10.117 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.036 9.693 -8.595 1.00 0.00 H new ATOM 0 HG SER A 66 -2.754 7.930 -9.708 1.00 0.00 H new ATOM 1028 N LEU A 67 -6.595 11.793 -9.125 1.00 0.00 N ATOM 1029 CA LEU A 67 -7.420 12.703 -9.914 1.00 0.00 C ATOM 1030 C LEU A 67 -7.039 14.148 -9.669 1.00 0.00 C ATOM 1031 O LEU A 67 -6.596 14.826 -10.592 1.00 0.00 O ATOM 1032 CB LEU A 67 -8.908 12.451 -9.634 1.00 0.00 C ATOM 1033 CG LEU A 67 -9.799 13.204 -10.638 1.00 0.00 C ATOM 1034 CD1 LEU A 67 -9.737 12.557 -12.026 1.00 0.00 C ATOM 1035 CD2 LEU A 67 -11.244 13.186 -10.150 1.00 0.00 C ATOM 0 H LEU A 67 -6.526 12.032 -8.136 1.00 0.00 H new ATOM 0 HA LEU A 67 -7.238 12.504 -10.970 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -9.115 11.382 -9.690 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -9.149 12.770 -8.620 1.00 0.00 H new ATOM 0 HG LEU A 67 -9.435 14.229 -10.712 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.376 13.110 -12.714 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -8.710 12.575 -12.390 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -10.081 11.525 -11.962 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -11.875 13.719 -10.861 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -11.586 12.155 -10.064 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -11.305 13.671 -9.176 1.00 0.00 H new ATOM 1047 N ASP A 68 -7.174 14.635 -8.439 1.00 0.00 N ATOM 1048 CA ASP A 68 -6.849 16.013 -8.070 1.00 0.00 C ATOM 1049 C ASP A 68 -5.339 16.134 -7.806 1.00 0.00 C ATOM 1050 O ASP A 68 -4.912 16.683 -6.797 1.00 0.00 O ATOM 1051 CB ASP A 68 -7.742 16.443 -6.889 1.00 0.00 C ATOM 1052 CG ASP A 68 -8.139 17.913 -7.004 1.00 0.00 C ATOM 1053 OD1 ASP A 68 -7.288 18.807 -6.831 1.00 0.00 O ATOM 1054 OD2 ASP A 68 -9.331 18.169 -7.317 1.00 0.00 O ATOM 0 H ASP A 68 -7.517 14.077 -7.657 1.00 0.00 H new ATOM 0 HA ASP A 68 -7.063 16.706 -8.883 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.638 15.823 -6.862 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -7.212 16.279 -5.951 1.00 0.00 H new ATOM 1059 N ASN A 69 -4.520 15.526 -8.677 1.00 0.00 N ATOM 1060 CA ASN A 69 -3.049 15.433 -8.682 1.00 0.00 C ATOM 1061 C ASN A 69 -2.479 14.711 -7.443 1.00 0.00 C ATOM 1062 O ASN A 69 -1.274 14.485 -7.322 1.00 0.00 O ATOM 1063 CB ASN A 69 -2.411 16.812 -8.916 1.00 0.00 C ATOM 1064 CG ASN A 69 -0.905 16.732 -9.144 1.00 0.00 C ATOM 1065 OD1 ASN A 69 -0.113 17.289 -8.388 1.00 0.00 O ATOM 1066 ND2 ASN A 69 -0.457 16.071 -10.200 1.00 0.00 N ATOM 0 H ASN A 69 -4.912 15.035 -9.481 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.774 14.799 -9.525 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -2.881 17.283 -9.779 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -2.611 17.451 -8.056 1.00 0.00 H new ATOM 0 HD21 ASN A 69 0.545 16.025 -10.385 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -1.114 15.608 -10.828 1.00 0.00 H new ATOM 1073 N LEU A 70 -3.347 14.286 -6.528 1.00 0.00 N ATOM 1074 CA LEU A 70 -3.054 13.602 -5.281 1.00 0.00 C ATOM 1075 C LEU A 70 -3.678 12.213 -5.350 1.00 0.00 C ATOM 1076 O LEU A 70 -4.756 12.049 -5.930 1.00 0.00 O ATOM 1077 CB LEU A 70 -3.677 14.401 -4.116 1.00 0.00 C ATOM 1078 CG LEU A 70 -2.793 15.514 -3.523 1.00 0.00 C ATOM 1079 CD1 LEU A 70 -2.371 16.601 -4.515 1.00 0.00 C ATOM 1080 CD2 LEU A 70 -3.482 16.154 -2.322 1.00 0.00 C ATOM 0 H LEU A 70 -4.350 14.424 -6.654 1.00 0.00 H new ATOM 0 HA LEU A 70 -1.979 13.520 -5.123 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.608 14.848 -4.463 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.936 13.704 -3.319 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.872 15.015 -3.221 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.752 17.339 -4.005 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.802 16.150 -5.328 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -3.258 17.089 -4.919 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -2.846 16.939 -1.913 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.433 16.584 -2.635 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -3.660 15.397 -1.558 1.00 0.00 H new ATOM 1092 N TYR A 71 -3.021 11.224 -4.750 1.00 0.00 N ATOM 1093 CA TYR A 71 -3.485 9.842 -4.717 1.00 0.00 C ATOM 1094 C TYR A 71 -4.324 9.632 -3.455 1.00 0.00 C ATOM 1095 O TYR A 71 -3.812 9.866 -2.357 1.00 0.00 O ATOM 1096 CB TYR A 71 -2.280 8.888 -4.682 1.00 0.00 C ATOM 1097 CG TYR A 71 -1.289 8.997 -5.824 1.00 0.00 C ATOM 1098 CD1 TYR A 71 -1.581 8.404 -7.065 1.00 0.00 C ATOM 1099 CD2 TYR A 71 -0.034 9.598 -5.620 1.00 0.00 C ATOM 1100 CE1 TYR A 71 -0.624 8.399 -8.095 1.00 0.00 C ATOM 1101 CE2 TYR A 71 0.947 9.559 -6.629 1.00 0.00 C ATOM 1102 CZ TYR A 71 0.662 8.952 -7.877 1.00 0.00 C ATOM 1103 OH TYR A 71 1.622 8.877 -8.848 1.00 0.00 O ATOM 0 H TYR A 71 -2.135 11.364 -4.264 1.00 0.00 H new ATOM 0 HA TYR A 71 -4.082 9.637 -5.606 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -1.742 9.054 -3.748 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -2.657 7.866 -4.655 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -2.547 7.949 -7.228 1.00 0.00 H new ATOM 0 HD2 TYR A 71 0.178 10.092 -4.684 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -0.870 7.972 -9.056 1.00 0.00 H new ATOM 0 HE2 TYR A 71 1.920 9.993 -6.451 1.00 0.00 H new ATOM 0 HH TYR A 71 2.443 9.308 -8.530 1.00 0.00 H new ATOM 1113 N ARG A 72 -5.588 9.211 -3.575 1.00 0.00 N ATOM 1114 CA ARG A 72 -6.493 8.947 -2.456 1.00 0.00 C ATOM 1115 C ARG A 72 -7.326 7.706 -2.762 1.00 0.00 C ATOM 1116 O ARG A 72 -7.220 7.140 -3.855 1.00 0.00 O ATOM 1117 CB ARG A 72 -7.404 10.164 -2.235 1.00 0.00 C ATOM 1118 CG ARG A 72 -8.521 10.306 -3.284 1.00 0.00 C ATOM 1119 CD ARG A 72 -9.035 11.746 -3.352 1.00 0.00 C ATOM 1120 NE ARG A 72 -9.527 12.172 -2.041 1.00 0.00 N ATOM 1121 CZ ARG A 72 -9.882 13.408 -1.682 1.00 0.00 C ATOM 1122 NH1 ARG A 72 -9.718 14.430 -2.511 1.00 0.00 N ATOM 1123 NH2 ARG A 72 -10.387 13.629 -0.478 1.00 0.00 N ATOM 0 H ARG A 72 -6.021 9.040 -4.483 1.00 0.00 H new ATOM 0 HA ARG A 72 -5.917 8.771 -1.547 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -7.855 10.093 -1.245 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.795 11.068 -2.243 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -8.146 10.004 -4.262 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -9.343 9.635 -3.037 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -8.235 12.410 -3.681 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -9.834 11.820 -4.089 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.607 11.449 -1.326 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.316 14.277 -3.436 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -9.994 15.369 -2.224 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -10.505 12.855 0.176 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -10.658 14.573 -0.204 1.00 0.00 H new ATOM 1137 N LEU A 73 -8.164 7.286 -1.819 1.00 0.00 N ATOM 1138 CA LEU A 73 -9.052 6.146 -1.987 1.00 0.00 C ATOM 1139 C LEU A 73 -10.458 6.565 -1.582 1.00 0.00 C ATOM 1140 O LEU A 73 -11.379 6.425 -2.389 1.00 0.00 O ATOM 1141 CB LEU A 73 -8.570 4.903 -1.225 1.00 0.00 C ATOM 1142 CG LEU A 73 -9.284 3.621 -1.707 1.00 0.00 C ATOM 1143 CD1 LEU A 73 -9.032 3.301 -3.188 1.00 0.00 C ATOM 1144 CD2 LEU A 73 -8.803 2.437 -0.880 1.00 0.00 C ATOM 0 H LEU A 73 -8.245 7.735 -0.907 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.053 5.848 -3.035 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.494 4.791 -1.357 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -8.748 5.039 -0.158 1.00 0.00 H new ATOM 0 HG LEU A 73 -10.352 3.798 -1.584 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.563 2.388 -3.459 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -9.390 4.126 -3.804 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.964 3.162 -3.353 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -9.305 1.530 -1.217 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.726 2.322 -1.001 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.034 2.610 0.171 1.00 0.00 H new ATOM 1156 N GLU A 74 -10.627 7.114 -0.376 1.00 0.00 N ATOM 1157 CA GLU A 74 -11.924 7.566 0.127 1.00 0.00 C ATOM 1158 C GLU A 74 -11.815 8.872 0.924 1.00 0.00 C ATOM 1159 O GLU A 74 -12.657 9.755 0.743 1.00 0.00 O ATOM 1160 CB GLU A 74 -12.641 6.425 0.885 1.00 0.00 C ATOM 1161 CG GLU A 74 -11.980 5.900 2.175 1.00 0.00 C ATOM 1162 CD GLU A 74 -12.195 6.800 3.391 1.00 0.00 C ATOM 1163 OE1 GLU A 74 -13.368 7.057 3.741 1.00 0.00 O ATOM 1164 OE2 GLU A 74 -11.191 7.284 3.971 1.00 0.00 O ATOM 0 H GLU A 74 -9.861 7.258 0.282 1.00 0.00 H new ATOM 0 HA GLU A 74 -12.556 7.816 -0.725 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -13.645 6.768 1.137 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -12.754 5.585 0.199 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -12.374 4.908 2.395 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -10.910 5.787 2.003 1.00 0.00 H new ATOM 1171 N GLY A 75 -10.774 9.034 1.739 1.00 0.00 N ATOM 1172 CA GLY A 75 -10.516 10.207 2.567 1.00 0.00 C ATOM 1173 C GLY A 75 -9.522 11.112 1.858 1.00 0.00 C ATOM 1174 O GLY A 75 -9.531 11.174 0.625 1.00 0.00 O ATOM 0 H GLY A 75 -10.056 8.317 1.844 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -11.445 10.745 2.756 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -10.121 9.903 3.536 1.00 0.00 H new ATOM 1178 N GLU A 76 -8.691 11.842 2.609 1.00 0.00 N ATOM 1179 CA GLU A 76 -7.691 12.732 2.022 1.00 0.00 C ATOM 1180 C GLU A 76 -6.689 11.915 1.198 1.00 0.00 C ATOM 1181 O GLU A 76 -6.540 10.700 1.391 1.00 0.00 O ATOM 1182 CB GLU A 76 -6.937 13.539 3.103 1.00 0.00 C ATOM 1183 CG GLU A 76 -7.762 14.699 3.676 1.00 0.00 C ATOM 1184 CD GLU A 76 -6.909 15.717 4.450 1.00 0.00 C ATOM 1185 OE1 GLU A 76 -6.035 16.355 3.814 1.00 0.00 O ATOM 1186 OE2 GLU A 76 -7.111 15.907 5.674 1.00 0.00 O ATOM 0 H GLU A 76 -8.694 11.832 3.629 1.00 0.00 H new ATOM 0 HA GLU A 76 -8.213 13.440 1.378 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -6.651 12.869 3.914 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.015 13.933 2.676 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -8.277 15.209 2.862 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.530 14.299 4.338 1.00 0.00 H new ATOM 1193 N GLY A 77 -6.018 12.599 0.273 1.00 0.00 N ATOM 1194 CA GLY A 77 -5.005 12.100 -0.623 1.00 0.00 C ATOM 1195 C GLY A 77 -3.710 12.842 -0.353 1.00 0.00 C ATOM 1196 O GLY A 77 -3.686 13.812 0.413 1.00 0.00 O ATOM 0 H GLY A 77 -6.191 13.594 0.128 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.865 11.029 -0.476 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.313 12.242 -1.659 1.00 0.00 H new ATOM 1200 N PHE A 78 -2.634 12.406 -1.003 1.00 0.00 N ATOM 1201 CA PHE A 78 -1.324 13.019 -0.830 1.00 0.00 C ATOM 1202 C PHE A 78 -0.603 13.165 -2.160 1.00 0.00 C ATOM 1203 O PHE A 78 -0.913 12.434 -3.106 1.00 0.00 O ATOM 1204 CB PHE A 78 -0.498 12.177 0.144 1.00 0.00 C ATOM 1205 CG PHE A 78 -0.910 12.368 1.588 1.00 0.00 C ATOM 1206 CD1 PHE A 78 -2.069 11.744 2.069 1.00 0.00 C ATOM 1207 CD2 PHE A 78 -0.177 13.210 2.444 1.00 0.00 C ATOM 1208 CE1 PHE A 78 -2.534 11.992 3.367 1.00 0.00 C ATOM 1209 CE2 PHE A 78 -0.608 13.413 3.763 1.00 0.00 C ATOM 1210 CZ PHE A 78 -1.802 12.834 4.221 1.00 0.00 C ATOM 0 H PHE A 78 -2.647 11.625 -1.658 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.456 14.021 -0.421 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.597 11.124 -0.120 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.555 12.435 0.035 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -2.611 11.063 1.430 1.00 0.00 H new ATOM 0 HD2 PHE A 78 0.717 13.700 2.086 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.452 11.538 3.710 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -0.016 14.020 4.432 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.155 13.034 5.222 1.00 0.00 H new ATOM 1220 N PRO A 79 0.397 14.066 -2.233 1.00 0.00 N ATOM 1221 CA PRO A 79 1.165 14.321 -3.447 1.00 0.00 C ATOM 1222 C PRO A 79 1.961 13.112 -3.939 1.00 0.00 C ATOM 1223 O PRO A 79 2.447 13.150 -5.072 1.00 0.00 O ATOM 1224 CB PRO A 79 2.101 15.488 -3.096 1.00 0.00 C ATOM 1225 CG PRO A 79 2.235 15.404 -1.580 1.00 0.00 C ATOM 1226 CD PRO A 79 0.833 14.977 -1.178 1.00 0.00 C ATOM 0 HA PRO A 79 0.491 14.551 -4.272 1.00 0.00 H new ATOM 0 HB2 PRO A 79 3.068 15.387 -3.589 1.00 0.00 H new ATOM 0 HB3 PRO A 79 1.682 16.445 -3.408 1.00 0.00 H new ATOM 0 HG2 PRO A 79 2.989 14.679 -1.274 1.00 0.00 H new ATOM 0 HG3 PRO A 79 2.515 16.361 -1.139 1.00 0.00 H new ATOM 0 HD2 PRO A 79 0.834 14.483 -0.206 1.00 0.00 H new ATOM 0 HD3 PRO A 79 0.167 15.836 -1.098 1.00 0.00 H new ATOM 1234 N SER A 80 2.120 12.070 -3.115 1.00 0.00 N ATOM 1235 CA SER A 80 2.859 10.861 -3.455 1.00 0.00 C ATOM 1236 C SER A 80 2.192 9.655 -2.793 1.00 0.00 C ATOM 1237 O SER A 80 1.421 9.816 -1.845 1.00 0.00 O ATOM 1238 CB SER A 80 4.290 11.019 -2.936 1.00 0.00 C ATOM 1239 OG SER A 80 5.242 10.249 -3.633 1.00 0.00 O ATOM 0 H SER A 80 1.728 12.049 -2.174 1.00 0.00 H new ATOM 0 HA SER A 80 2.868 10.706 -4.534 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.573 12.070 -2.997 1.00 0.00 H new ATOM 0 HB3 SER A 80 4.316 10.742 -1.882 1.00 0.00 H new ATOM 0 HG SER A 80 6.131 10.401 -3.249 1.00 0.00 H new ATOM 1245 N ILE A 81 2.498 8.451 -3.276 1.00 0.00 N ATOM 1246 CA ILE A 81 1.960 7.201 -2.754 1.00 0.00 C ATOM 1247 C ILE A 81 2.400 6.933 -1.296 1.00 0.00 C ATOM 1248 O ILE A 81 1.522 6.634 -0.483 1.00 0.00 O ATOM 1249 CB ILE A 81 2.337 6.022 -3.687 1.00 0.00 C ATOM 1250 CG1 ILE A 81 1.846 6.194 -5.143 1.00 0.00 C ATOM 1251 CG2 ILE A 81 1.826 4.684 -3.123 1.00 0.00 C ATOM 1252 CD1 ILE A 81 0.340 6.033 -5.349 1.00 0.00 C ATOM 0 H ILE A 81 3.140 8.318 -4.057 1.00 0.00 H new ATOM 0 HA ILE A 81 0.874 7.293 -2.733 1.00 0.00 H new ATOM 0 HB ILE A 81 3.427 6.019 -3.719 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.140 7.183 -5.493 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.361 5.467 -5.771 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.105 3.875 -3.798 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.270 4.509 -2.143 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.741 4.720 -3.028 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.100 6.172 -6.403 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.035 5.034 -5.036 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.190 6.777 -4.755 1.00 0.00 H new ATOM 1264 N PRO A 82 3.694 7.036 -0.907 1.00 0.00 N ATOM 1265 CA PRO A 82 4.101 6.753 0.471 1.00 0.00 C ATOM 1266 C PRO A 82 3.485 7.733 1.463 1.00 0.00 C ATOM 1267 O PRO A 82 3.077 7.330 2.549 1.00 0.00 O ATOM 1268 CB PRO A 82 5.634 6.772 0.484 1.00 0.00 C ATOM 1269 CG PRO A 82 5.992 7.639 -0.713 1.00 0.00 C ATOM 1270 CD PRO A 82 4.864 7.384 -1.706 1.00 0.00 C ATOM 0 HA PRO A 82 3.736 5.778 0.795 1.00 0.00 H new ATOM 0 HB2 PRO A 82 6.022 7.191 1.413 1.00 0.00 H new ATOM 0 HB3 PRO A 82 6.048 5.768 0.390 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.052 8.692 -0.439 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.960 7.363 -1.130 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.672 8.268 -2.314 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.123 6.577 -2.391 1.00 0.00 H new ATOM 1278 N LEU A 83 3.364 9.004 1.069 1.00 0.00 N ATOM 1279 CA LEU A 83 2.780 10.050 1.899 1.00 0.00 C ATOM 1280 C LEU A 83 1.350 9.665 2.316 1.00 0.00 C ATOM 1281 O LEU A 83 0.915 10.040 3.402 1.00 0.00 O ATOM 1282 CB LEU A 83 2.786 11.379 1.115 1.00 0.00 C ATOM 1283 CG LEU A 83 4.049 12.258 1.174 1.00 0.00 C ATOM 1284 CD1 LEU A 83 4.153 12.996 2.510 1.00 0.00 C ATOM 1285 CD2 LEU A 83 5.350 11.486 0.919 1.00 0.00 C ATOM 0 H LEU A 83 3.673 9.334 0.155 1.00 0.00 H new ATOM 0 HA LEU A 83 3.371 10.170 2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.591 11.148 0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.948 11.978 1.470 1.00 0.00 H new ATOM 0 HG LEU A 83 3.933 12.976 0.362 1.00 0.00 H new ATOM 0 HD11 LEU A 83 5.055 13.607 2.519 1.00 0.00 H new ATOM 0 HD12 LEU A 83 3.280 13.636 2.641 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.198 12.272 3.323 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.196 12.170 0.976 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.463 10.705 1.671 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.316 11.033 -0.072 1.00 0.00 H new ATOM 1297 N LEU A 84 0.608 8.949 1.461 1.00 0.00 N ATOM 1298 CA LEU A 84 -0.756 8.506 1.732 1.00 0.00 C ATOM 1299 C LEU A 84 -0.727 7.292 2.650 1.00 0.00 C ATOM 1300 O LEU A 84 -1.355 7.326 3.701 1.00 0.00 O ATOM 1301 CB LEU A 84 -1.474 8.237 0.397 1.00 0.00 C ATOM 1302 CG LEU A 84 -2.940 7.752 0.402 1.00 0.00 C ATOM 1303 CD1 LEU A 84 -3.085 6.245 0.632 1.00 0.00 C ATOM 1304 CD2 LEU A 84 -3.872 8.554 1.307 1.00 0.00 C ATOM 0 H LEU A 84 0.950 8.658 0.545 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.320 9.280 2.253 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -1.438 9.159 -0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.887 7.495 -0.145 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.276 7.951 -0.616 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -4.141 5.976 0.623 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.566 5.705 -0.160 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.651 5.981 1.596 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -4.880 8.143 1.247 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.517 8.497 2.336 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.885 9.595 0.985 1.00 0.00 H new ATOM 1316 N ILE A 85 -0.007 6.228 2.290 1.00 0.00 N ATOM 1317 CA ILE A 85 0.070 5.019 3.105 1.00 0.00 C ATOM 1318 C ILE A 85 0.510 5.343 4.528 1.00 0.00 C ATOM 1319 O ILE A 85 -0.095 4.825 5.464 1.00 0.00 O ATOM 1320 CB ILE A 85 0.980 3.978 2.390 1.00 0.00 C ATOM 1321 CG1 ILE A 85 0.165 2.884 1.678 1.00 0.00 C ATOM 1322 CG2 ILE A 85 1.986 3.248 3.300 1.00 0.00 C ATOM 1323 CD1 ILE A 85 -0.982 3.389 0.807 1.00 0.00 C ATOM 0 H ILE A 85 0.537 6.182 1.428 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.919 4.571 3.206 1.00 0.00 H new ATOM 0 HB ILE A 85 1.534 4.598 1.685 1.00 0.00 H new ATOM 0 HG12 ILE A 85 0.841 2.297 1.056 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.242 2.209 2.431 1.00 0.00 H new ATOM 0 HG21 ILE A 85 2.571 2.546 2.706 1.00 0.00 H new ATOM 0 HG22 ILE A 85 2.653 3.976 3.762 1.00 0.00 H new ATOM 0 HG23 ILE A 85 1.447 2.705 4.077 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.493 2.541 0.350 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -1.687 3.949 1.422 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -0.587 4.038 0.026 1.00 0.00 H new ATOM 1335 N ASP A 86 1.526 6.190 4.708 1.00 0.00 N ATOM 1336 CA ASP A 86 1.992 6.529 6.046 1.00 0.00 C ATOM 1337 C ASP A 86 0.932 7.296 6.833 1.00 0.00 C ATOM 1338 O ASP A 86 0.915 7.225 8.064 1.00 0.00 O ATOM 1339 CB ASP A 86 3.298 7.321 6.010 1.00 0.00 C ATOM 1340 CG ASP A 86 3.831 7.425 7.438 1.00 0.00 C ATOM 1341 OD1 ASP A 86 4.257 6.372 7.974 1.00 0.00 O ATOM 1342 OD2 ASP A 86 3.840 8.538 8.009 1.00 0.00 O ATOM 0 H ASP A 86 2.034 6.647 3.951 1.00 0.00 H new ATOM 0 HA ASP A 86 2.183 5.585 6.557 1.00 0.00 H new ATOM 0 HB2 ASP A 86 4.026 6.825 5.367 1.00 0.00 H new ATOM 0 HB3 ASP A 86 3.129 8.314 5.594 1.00 0.00 H new ATOM 1347 N HIS A 87 0.054 8.036 6.148 1.00 0.00 N ATOM 1348 CA HIS A 87 -0.997 8.772 6.821 1.00 0.00 C ATOM 1349 C HIS A 87 -2.023 7.768 7.359 1.00 0.00 C ATOM 1350 O HIS A 87 -2.338 7.806 8.548 1.00 0.00 O ATOM 1351 CB HIS A 87 -1.583 9.813 5.867 1.00 0.00 C ATOM 1352 CG HIS A 87 -2.749 10.554 6.451 1.00 0.00 C ATOM 1353 ND1 HIS A 87 -2.720 11.431 7.511 1.00 0.00 N ATOM 1354 CD2 HIS A 87 -4.037 10.464 6.013 1.00 0.00 C ATOM 1355 CE1 HIS A 87 -3.976 11.860 7.708 1.00 0.00 C ATOM 1356 NE2 HIS A 87 -4.816 11.290 6.826 1.00 0.00 N ATOM 0 H HIS A 87 0.058 8.135 5.133 1.00 0.00 H new ATOM 0 HA HIS A 87 -0.618 9.331 7.676 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.805 10.527 5.595 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -1.897 9.319 4.948 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -4.390 9.863 5.188 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -4.272 12.566 8.470 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -5.824 11.433 6.763 1.00 0.00 H new ATOM 1364 N LEU A 88 -2.505 6.841 6.514 1.00 0.00 N ATOM 1365 CA LEU A 88 -3.498 5.835 6.924 1.00 0.00 C ATOM 1366 C LEU A 88 -2.933 4.918 7.996 1.00 0.00 C ATOM 1367 O LEU A 88 -3.668 4.449 8.858 1.00 0.00 O ATOM 1368 CB LEU A 88 -3.990 4.954 5.769 1.00 0.00 C ATOM 1369 CG LEU A 88 -5.054 5.625 4.890 1.00 0.00 C ATOM 1370 CD1 LEU A 88 -4.438 6.750 4.087 1.00 0.00 C ATOM 1371 CD2 LEU A 88 -5.618 4.585 3.911 1.00 0.00 C ATOM 0 H LEU A 88 -2.220 6.768 5.537 1.00 0.00 H new ATOM 0 HA LEU A 88 -4.342 6.410 7.304 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.139 4.678 5.147 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.399 4.030 6.178 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.842 6.024 5.530 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.204 7.217 3.468 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.017 7.492 4.765 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.649 6.352 3.449 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.375 5.051 3.281 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.813 4.200 3.285 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.067 3.764 4.471 1.00 0.00 H new ATOM 1383 N LEU A 89 -1.636 4.635 7.951 1.00 0.00 N ATOM 1384 CA LEU A 89 -0.991 3.787 8.938 1.00 0.00 C ATOM 1385 C LEU A 89 -1.058 4.447 10.322 1.00 0.00 C ATOM 1386 O LEU A 89 -1.109 3.727 11.322 1.00 0.00 O ATOM 1387 CB LEU A 89 0.444 3.510 8.481 1.00 0.00 C ATOM 1388 CG LEU A 89 0.611 2.188 7.717 1.00 0.00 C ATOM 1389 CD1 LEU A 89 2.019 2.162 7.111 1.00 0.00 C ATOM 1390 CD2 LEU A 89 0.442 0.940 8.592 1.00 0.00 C ATOM 0 H LEU A 89 -1.006 4.987 7.230 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.507 2.831 9.026 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.777 4.330 7.845 1.00 0.00 H new ATOM 0 HB3 LEU A 89 1.097 3.499 9.354 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.174 2.154 6.962 1.00 0.00 H new ATOM 0 HD11 LEU A 89 2.162 1.231 6.562 1.00 0.00 H new ATOM 0 HD12 LEU A 89 2.138 3.006 6.431 1.00 0.00 H new ATOM 0 HD13 LEU A 89 2.759 2.231 7.908 1.00 0.00 H new ATOM 0 HD21 LEU A 89 0.574 0.047 7.981 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.187 0.949 9.387 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.556 0.935 9.030 1.00 0.00 H new ATOM 1402 N SER A 90 -1.121 5.779 10.404 1.00 0.00 N ATOM 1403 CA SER A 90 -1.209 6.499 11.670 1.00 0.00 C ATOM 1404 C SER A 90 -2.680 6.726 12.056 1.00 0.00 C ATOM 1405 O SER A 90 -3.065 6.479 13.199 1.00 0.00 O ATOM 1406 CB SER A 90 -0.440 7.820 11.563 1.00 0.00 C ATOM 1407 OG SER A 90 0.890 7.575 11.129 1.00 0.00 O ATOM 0 H SER A 90 -1.112 6.389 9.586 1.00 0.00 H new ATOM 0 HA SER A 90 -0.754 5.904 12.462 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.943 8.487 10.863 1.00 0.00 H new ATOM 0 HB3 SER A 90 -0.429 8.323 12.530 1.00 0.00 H new ATOM 0 HG SER A 90 0.901 7.462 10.156 1.00 0.00 H new ATOM 1413 N THR A 91 -3.537 7.166 11.130 1.00 0.00 N ATOM 1414 CA THR A 91 -4.950 7.409 11.426 1.00 0.00 C ATOM 1415 C THR A 91 -5.749 6.105 11.570 1.00 0.00 C ATOM 1416 O THR A 91 -6.798 6.086 12.211 1.00 0.00 O ATOM 1417 CB THR A 91 -5.577 8.269 10.320 1.00 0.00 C ATOM 1418 OG1 THR A 91 -5.500 7.565 9.095 1.00 0.00 O ATOM 1419 CG2 THR A 91 -4.902 9.637 10.190 1.00 0.00 C ATOM 0 H THR A 91 -3.274 7.362 10.164 1.00 0.00 H new ATOM 0 HA THR A 91 -4.992 7.933 12.381 1.00 0.00 H new ATOM 0 HB THR A 91 -6.617 8.458 10.585 1.00 0.00 H new ATOM 0 HG1 THR A 91 -5.899 8.105 8.382 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.383 10.206 9.394 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.995 10.179 11.131 1.00 0.00 H new ATOM 0 HG23 THR A 91 -3.847 9.501 9.952 1.00 0.00 H new ATOM 1427 N GLN A 92 -5.232 4.992 11.040 1.00 0.00 N ATOM 1428 CA GLN A 92 -5.851 3.670 11.047 1.00 0.00 C ATOM 1429 C GLN A 92 -7.263 3.729 10.430 1.00 0.00 C ATOM 1430 O GLN A 92 -8.128 2.919 10.771 1.00 0.00 O ATOM 1431 CB GLN A 92 -5.776 3.048 12.458 1.00 0.00 C ATOM 1432 CG GLN A 92 -4.346 2.696 12.900 1.00 0.00 C ATOM 1433 CD GLN A 92 -3.811 1.477 12.155 1.00 0.00 C ATOM 1434 OE1 GLN A 92 -4.121 0.340 12.507 1.00 0.00 O ATOM 1435 NE2 GLN A 92 -3.032 1.676 11.107 1.00 0.00 N ATOM 0 H GLN A 92 -4.326 4.993 10.572 1.00 0.00 H new ATOM 0 HA GLN A 92 -5.293 2.988 10.405 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -6.208 3.744 13.176 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -6.387 2.146 12.481 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -3.690 3.548 12.723 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -4.334 2.502 13.972 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -2.784 2.626 10.828 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.678 0.880 10.576 1.00 0.00 H new ATOM 1444 N GLN A 93 -7.523 4.692 9.534 1.00 0.00 N ATOM 1445 CA GLN A 93 -8.826 4.826 8.895 1.00 0.00 C ATOM 1446 C GLN A 93 -9.089 3.648 7.954 1.00 0.00 C ATOM 1447 O GLN A 93 -8.169 3.187 7.272 1.00 0.00 O ATOM 1448 CB GLN A 93 -8.928 6.105 8.056 1.00 0.00 C ATOM 1449 CG GLN A 93 -9.190 7.366 8.880 1.00 0.00 C ATOM 1450 CD GLN A 93 -9.771 8.452 7.983 1.00 0.00 C ATOM 1451 OE1 GLN A 93 -10.890 8.928 8.182 1.00 0.00 O ATOM 1452 NE2 GLN A 93 -9.028 8.874 6.981 1.00 0.00 N ATOM 0 H GLN A 93 -6.840 5.389 9.239 1.00 0.00 H new ATOM 0 HA GLN A 93 -9.558 4.857 9.702 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -8.002 6.235 7.495 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -9.729 5.986 7.326 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -9.881 7.144 9.693 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -8.263 7.714 9.335 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -8.103 8.472 6.827 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -9.377 9.603 6.359 1.00 0.00 H new ATOM 1461 N PRO A 94 -10.350 3.208 7.834 1.00 0.00 N ATOM 1462 CA PRO A 94 -10.699 2.110 6.957 1.00 0.00 C ATOM 1463 C PRO A 94 -10.555 2.558 5.501 1.00 0.00 C ATOM 1464 O PRO A 94 -10.994 3.643 5.123 1.00 0.00 O ATOM 1465 CB PRO A 94 -12.127 1.716 7.335 1.00 0.00 C ATOM 1466 CG PRO A 94 -12.712 2.993 7.936 1.00 0.00 C ATOM 1467 CD PRO A 94 -11.510 3.679 8.571 1.00 0.00 C ATOM 0 HA PRO A 94 -10.045 1.244 7.065 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -12.695 1.387 6.465 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -12.139 0.895 8.052 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -13.173 3.620 7.173 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -13.482 2.771 8.674 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -11.600 4.763 8.507 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.430 3.428 9.629 1.00 0.00 H new ATOM 1475 N LEU A 95 -9.959 1.703 4.672 1.00 0.00 N ATOM 1476 CA LEU A 95 -9.710 1.917 3.249 1.00 0.00 C ATOM 1477 C LEU A 95 -11.003 2.192 2.492 1.00 0.00 C ATOM 1478 O LEU A 95 -10.998 2.942 1.522 1.00 0.00 O ATOM 1479 CB LEU A 95 -9.040 0.661 2.655 1.00 0.00 C ATOM 1480 CG LEU A 95 -7.510 0.675 2.810 1.00 0.00 C ATOM 1481 CD1 LEU A 95 -6.968 -0.755 2.754 1.00 0.00 C ATOM 1482 CD2 LEU A 95 -6.864 1.500 1.692 1.00 0.00 C ATOM 0 H LEU A 95 -9.620 0.796 4.992 1.00 0.00 H new ATOM 0 HA LEU A 95 -9.059 2.785 3.146 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.443 -0.226 3.144 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.293 0.585 1.598 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.267 1.125 3.773 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.884 -0.738 2.864 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.406 -1.342 3.562 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.228 -1.205 1.796 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -5.781 1.499 1.818 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.117 1.064 0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.233 2.525 1.736 1.00 0.00 H new ATOM 1494 N THR A 96 -12.100 1.548 2.887 1.00 0.00 N ATOM 1495 CA THR A 96 -13.399 1.704 2.253 1.00 0.00 C ATOM 1496 C THR A 96 -14.479 1.490 3.314 1.00 0.00 C ATOM 1497 O THR A 96 -14.390 0.549 4.110 1.00 0.00 O ATOM 1498 CB THR A 96 -13.534 0.686 1.102 1.00 0.00 C ATOM 1499 OG1 THR A 96 -13.052 -0.584 1.487 1.00 0.00 O ATOM 1500 CG2 THR A 96 -12.765 1.078 -0.163 1.00 0.00 C ATOM 0 H THR A 96 -12.107 0.894 3.669 1.00 0.00 H new ATOM 0 HA THR A 96 -13.509 2.703 1.830 1.00 0.00 H new ATOM 0 HB THR A 96 -14.601 0.667 0.881 1.00 0.00 H new ATOM 0 HG1 THR A 96 -12.219 -0.777 1.008 1.00 0.00 H new ATOM 0 HG21 THR A 96 -12.908 0.314 -0.927 1.00 0.00 H new ATOM 0 HG22 THR A 96 -13.135 2.034 -0.532 1.00 0.00 H new ATOM 0 HG23 THR A 96 -11.703 1.165 0.069 1.00 0.00 H new ATOM 1508 N LYS A 97 -15.529 2.322 3.320 1.00 0.00 N ATOM 1509 CA LYS A 97 -16.618 2.199 4.290 1.00 0.00 C ATOM 1510 C LYS A 97 -17.291 0.836 4.189 1.00 0.00 C ATOM 1511 O LYS A 97 -17.432 0.154 5.198 1.00 0.00 O ATOM 1512 CB LYS A 97 -17.640 3.328 4.095 1.00 0.00 C ATOM 1513 CG LYS A 97 -18.835 3.251 5.056 1.00 0.00 C ATOM 1514 CD LYS A 97 -18.475 3.170 6.542 1.00 0.00 C ATOM 1515 CE LYS A 97 -19.655 3.623 7.408 1.00 0.00 C ATOM 1516 NZ LYS A 97 -19.789 5.094 7.465 1.00 0.00 N ATOM 0 H LYS A 97 -15.645 3.090 2.659 1.00 0.00 H new ATOM 0 HA LYS A 97 -16.194 2.287 5.290 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -17.139 4.287 4.228 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -18.008 3.300 3.069 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -19.464 4.127 4.899 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -19.434 2.378 4.796 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -18.199 2.147 6.800 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -17.606 3.796 6.746 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -20.576 3.193 7.014 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -19.529 3.234 8.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -20.548 5.348 8.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -18.893 5.512 7.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -20.021 5.458 6.519 1.00 0.00 H new ATOM 1530 N LYS A 98 -17.653 0.408 2.978 1.00 0.00 N ATOM 1531 CA LYS A 98 -18.316 -0.874 2.743 1.00 0.00 C ATOM 1532 C LYS A 98 -17.433 -2.098 3.049 1.00 0.00 C ATOM 1533 O LYS A 98 -17.864 -3.218 2.768 1.00 0.00 O ATOM 1534 CB LYS A 98 -18.873 -0.945 1.306 1.00 0.00 C ATOM 1535 CG LYS A 98 -20.015 0.043 1.003 1.00 0.00 C ATOM 1536 CD LYS A 98 -19.585 1.418 0.469 1.00 0.00 C ATOM 1537 CE LYS A 98 -18.910 1.290 -0.903 1.00 0.00 C ATOM 1538 NZ LYS A 98 -18.803 2.582 -1.613 1.00 0.00 N ATOM 0 H LYS A 98 -17.493 0.946 2.127 1.00 0.00 H new ATOM 0 HA LYS A 98 -19.142 -0.918 3.453 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -18.058 -0.761 0.606 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -19.230 -1.958 1.120 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -20.683 -0.416 0.275 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -20.592 0.193 1.915 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -20.455 2.070 0.390 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -18.898 1.887 1.174 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -17.913 0.868 -0.774 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -19.476 0.589 -1.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -18.340 2.435 -2.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -19.754 2.975 -1.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -18.240 3.245 -1.044 1.00 0.00 H new ATOM 1552 N SER A 99 -16.216 -1.928 3.578 1.00 0.00 N ATOM 1553 CA SER A 99 -15.335 -3.048 3.862 1.00 0.00 C ATOM 1554 C SER A 99 -14.650 -2.981 5.231 1.00 0.00 C ATOM 1555 O SER A 99 -14.296 -4.026 5.775 1.00 0.00 O ATOM 1556 CB SER A 99 -14.343 -3.122 2.699 1.00 0.00 C ATOM 1557 OG SER A 99 -14.099 -4.462 2.377 1.00 0.00 O ATOM 0 H SER A 99 -15.824 -1.017 3.816 1.00 0.00 H new ATOM 0 HA SER A 99 -15.920 -3.965 3.936 1.00 0.00 H new ATOM 0 HB2 SER A 99 -14.743 -2.596 1.832 1.00 0.00 H new ATOM 0 HB3 SER A 99 -13.411 -2.627 2.970 1.00 0.00 H new ATOM 0 HG SER A 99 -13.465 -4.509 1.631 1.00 0.00 H new ATOM 1563 N GLY A 100 -14.424 -1.795 5.804 1.00 0.00 N ATOM 1564 CA GLY A 100 -13.789 -1.674 7.116 1.00 0.00 C ATOM 1565 C GLY A 100 -12.348 -2.197 7.196 1.00 0.00 C ATOM 1566 O GLY A 100 -11.843 -2.374 8.305 1.00 0.00 O ATOM 0 H GLY A 100 -14.673 -0.903 5.376 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -13.794 -0.624 7.409 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -14.395 -2.211 7.846 1.00 0.00 H new ATOM 1570 N VAL A 101 -11.695 -2.475 6.062 1.00 0.00 N ATOM 1571 CA VAL A 101 -10.322 -2.972 5.975 1.00 0.00 C ATOM 1572 C VAL A 101 -9.368 -1.847 6.386 1.00 0.00 C ATOM 1573 O VAL A 101 -9.596 -0.713 5.972 1.00 0.00 O ATOM 1574 CB VAL A 101 -10.053 -3.421 4.524 1.00 0.00 C ATOM 1575 CG1 VAL A 101 -8.667 -4.051 4.365 1.00 0.00 C ATOM 1576 CG2 VAL A 101 -11.090 -4.424 3.999 1.00 0.00 C ATOM 0 H VAL A 101 -12.127 -2.354 5.146 1.00 0.00 H new ATOM 0 HA VAL A 101 -10.169 -3.822 6.640 1.00 0.00 H new ATOM 0 HB VAL A 101 -10.119 -2.504 3.938 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -8.521 -4.352 3.328 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -7.903 -3.325 4.643 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -8.588 -4.925 5.011 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.843 -4.699 2.974 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -11.083 -5.316 4.626 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -12.081 -3.970 4.024 1.00 0.00 H new ATOM 1586 N VAL A 102 -8.302 -2.133 7.134 1.00 0.00 N ATOM 1587 CA VAL A 102 -7.318 -1.149 7.596 1.00 0.00 C ATOM 1588 C VAL A 102 -5.913 -1.671 7.250 1.00 0.00 C ATOM 1589 O VAL A 102 -5.755 -2.845 6.904 1.00 0.00 O ATOM 1590 CB VAL A 102 -7.523 -0.916 9.117 1.00 0.00 C ATOM 1591 CG1 VAL A 102 -6.587 0.147 9.712 1.00 0.00 C ATOM 1592 CG2 VAL A 102 -8.964 -0.500 9.458 1.00 0.00 C ATOM 0 H VAL A 102 -8.092 -3.081 7.445 1.00 0.00 H new ATOM 0 HA VAL A 102 -7.442 -0.185 7.103 1.00 0.00 H new ATOM 0 HB VAL A 102 -7.290 -1.885 9.559 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -6.789 0.254 10.778 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -5.551 -0.159 9.568 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -6.756 1.101 9.213 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -9.054 -0.349 10.534 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -9.207 0.428 8.940 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -9.653 -1.283 9.142 1.00 0.00 H new ATOM 1602 N LEU A 103 -4.898 -0.798 7.255 1.00 0.00 N ATOM 1603 CA LEU A 103 -3.505 -1.136 6.976 1.00 0.00 C ATOM 1604 C LEU A 103 -2.839 -1.255 8.334 1.00 0.00 C ATOM 1605 O LEU A 103 -2.808 -0.273 9.073 1.00 0.00 O ATOM 1606 CB LEU A 103 -2.743 -0.047 6.196 1.00 0.00 C ATOM 1607 CG LEU A 103 -3.157 0.109 4.730 1.00 0.00 C ATOM 1608 CD1 LEU A 103 -4.465 0.895 4.610 1.00 0.00 C ATOM 1609 CD2 LEU A 103 -2.093 0.876 3.939 1.00 0.00 C ATOM 0 H LEU A 103 -5.032 0.192 7.460 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.483 -2.039 6.366 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -2.886 0.908 6.702 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -1.677 -0.272 6.235 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.279 -0.898 4.330 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.736 0.991 3.559 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.257 0.368 5.142 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -4.335 1.887 5.043 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -2.411 0.973 2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -1.961 1.867 4.373 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.148 0.334 3.980 1.00 0.00 H new ATOM 1621 N HIS A 104 -2.318 -2.432 8.658 1.00 0.00 N ATOM 1622 CA HIS A 104 -1.647 -2.663 9.928 1.00 0.00 C ATOM 1623 C HIS A 104 -0.156 -2.895 9.720 1.00 0.00 C ATOM 1624 O HIS A 104 0.631 -2.434 10.546 1.00 0.00 O ATOM 1625 CB HIS A 104 -2.296 -3.836 10.668 1.00 0.00 C ATOM 1626 CG HIS A 104 -3.701 -3.552 11.147 1.00 0.00 C ATOM 1627 ND1 HIS A 104 -4.047 -3.195 12.430 1.00 0.00 N ATOM 1628 CD2 HIS A 104 -4.850 -3.562 10.403 1.00 0.00 C ATOM 1629 CE1 HIS A 104 -5.380 -3.025 12.466 1.00 0.00 C ATOM 1630 NE2 HIS A 104 -5.912 -3.247 11.252 1.00 0.00 N ATOM 0 H HIS A 104 -2.349 -3.250 8.049 1.00 0.00 H new ATOM 0 HA HIS A 104 -1.757 -1.772 10.546 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -2.315 -4.704 10.009 1.00 0.00 H new ATOM 0 HB3 HIS A 104 -1.676 -4.101 11.525 1.00 0.00 H new ATOM 0 HD1 HIS A 104 -3.406 -3.080 13.215 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -4.922 -3.776 9.347 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -5.943 -2.749 13.345 1.00 0.00 H new ATOM 1638 N ARG A 105 0.269 -3.557 8.633 1.00 0.00 N ATOM 1639 CA ARG A 105 1.695 -3.807 8.419 1.00 0.00 C ATOM 1640 C ARG A 105 2.016 -4.051 6.956 1.00 0.00 C ATOM 1641 O ARG A 105 1.220 -4.637 6.227 1.00 0.00 O ATOM 1642 CB ARG A 105 2.101 -5.010 9.283 1.00 0.00 C ATOM 1643 CG ARG A 105 3.598 -5.329 9.235 1.00 0.00 C ATOM 1644 CD ARG A 105 3.954 -6.183 10.447 1.00 0.00 C ATOM 1645 NE ARG A 105 5.342 -6.637 10.400 1.00 0.00 N ATOM 1646 CZ ARG A 105 5.882 -7.549 11.210 1.00 0.00 C ATOM 1647 NH1 ARG A 105 5.228 -7.980 12.286 1.00 0.00 N ATOM 1648 NH2 ARG A 105 7.076 -8.043 10.917 1.00 0.00 N ATOM 0 H ARG A 105 -0.344 -3.921 7.904 1.00 0.00 H new ATOM 0 HA ARG A 105 2.264 -2.924 8.710 1.00 0.00 H new ATOM 0 HB2 ARG A 105 1.813 -4.817 10.316 1.00 0.00 H new ATOM 0 HB3 ARG A 105 1.542 -5.886 8.955 1.00 0.00 H new ATOM 0 HG2 ARG A 105 3.842 -5.859 8.314 1.00 0.00 H new ATOM 0 HG3 ARG A 105 4.181 -4.408 9.237 1.00 0.00 H new ATOM 0 HD2 ARG A 105 3.790 -5.608 11.358 1.00 0.00 H new ATOM 0 HD3 ARG A 105 3.290 -7.046 10.491 1.00 0.00 H new ATOM 0 HE ARG A 105 5.947 -6.223 9.691 1.00 0.00 H new ATOM 0 HH11 ARG A 105 4.301 -7.613 12.501 1.00 0.00 H new ATOM 0 HH12 ARG A 105 5.654 -8.678 12.896 1.00 0.00 H new ATOM 0 HH21 ARG A 105 7.569 -7.725 10.082 1.00 0.00 H new ATOM 0 HH22 ARG A 105 7.503 -8.741 11.526 1.00 0.00 H new ATOM 1662 N ALA A 106 3.183 -3.587 6.533 1.00 0.00 N ATOM 1663 CA ALA A 106 3.699 -3.712 5.185 1.00 0.00 C ATOM 1664 C ALA A 106 4.387 -5.064 5.000 1.00 0.00 C ATOM 1665 O ALA A 106 5.128 -5.471 5.901 1.00 0.00 O ATOM 1666 CB ALA A 106 4.757 -2.616 5.022 1.00 0.00 C ATOM 0 H ALA A 106 3.823 -3.090 7.153 1.00 0.00 H new ATOM 0 HA ALA A 106 2.890 -3.626 4.460 1.00 0.00 H new ATOM 0 HB1 ALA A 106 5.180 -2.665 4.019 1.00 0.00 H new ATOM 0 HB2 ALA A 106 4.296 -1.640 5.174 1.00 0.00 H new ATOM 0 HB3 ALA A 106 5.548 -2.762 5.757 1.00 0.00 H new ATOM 1672 N VAL A 107 4.148 -5.784 3.896 1.00 0.00 N ATOM 1673 CA VAL A 107 4.829 -7.045 3.647 1.00 0.00 C ATOM 1674 C VAL A 107 6.121 -6.565 2.969 1.00 0.00 C ATOM 1675 O VAL A 107 6.050 -5.899 1.932 1.00 0.00 O ATOM 1676 CB VAL A 107 3.984 -7.986 2.778 1.00 0.00 C ATOM 1677 CG1 VAL A 107 4.849 -9.094 2.194 1.00 0.00 C ATOM 1678 CG2 VAL A 107 2.875 -8.650 3.606 1.00 0.00 C ATOM 0 H VAL A 107 3.489 -5.509 3.168 1.00 0.00 H new ATOM 0 HA VAL A 107 5.018 -7.647 4.536 1.00 0.00 H new ATOM 0 HB VAL A 107 3.547 -7.383 1.982 1.00 0.00 H new ATOM 0 HG11 VAL A 107 4.233 -9.752 1.581 1.00 0.00 H new ATOM 0 HG12 VAL A 107 5.635 -8.656 1.579 1.00 0.00 H new ATOM 0 HG13 VAL A 107 5.299 -9.669 3.003 1.00 0.00 H new ATOM 0 HG21 VAL A 107 2.291 -9.312 2.967 1.00 0.00 H new ATOM 0 HG22 VAL A 107 3.322 -9.228 4.415 1.00 0.00 H new ATOM 0 HG23 VAL A 107 2.224 -7.882 4.025 1.00 0.00 H new ATOM 1688 N PRO A 108 7.297 -6.792 3.566 1.00 0.00 N ATOM 1689 CA PRO A 108 8.541 -6.338 2.985 1.00 0.00 C ATOM 1690 C PRO A 108 9.022 -7.257 1.861 1.00 0.00 C ATOM 1691 O PRO A 108 8.855 -8.477 1.925 1.00 0.00 O ATOM 1692 CB PRO A 108 9.514 -6.324 4.155 1.00 0.00 C ATOM 1693 CG PRO A 108 9.036 -7.473 5.027 1.00 0.00 C ATOM 1694 CD PRO A 108 7.537 -7.548 4.781 1.00 0.00 C ATOM 0 HA PRO A 108 8.440 -5.360 2.514 1.00 0.00 H new ATOM 0 HB2 PRO A 108 10.542 -6.472 3.824 1.00 0.00 H new ATOM 0 HB3 PRO A 108 9.485 -5.375 4.690 1.00 0.00 H new ATOM 0 HG2 PRO A 108 9.529 -8.407 4.756 1.00 0.00 H new ATOM 0 HG3 PRO A 108 9.256 -7.290 6.079 1.00 0.00 H new ATOM 0 HD2 PRO A 108 7.210 -8.582 4.669 1.00 0.00 H new ATOM 0 HD3 PRO A 108 6.982 -7.127 5.619 1.00 0.00 H new ATOM 1702 N SER A 109 9.644 -6.667 0.839 1.00 0.00 N ATOM 1703 CA SER A 109 10.200 -7.414 -0.286 1.00 0.00 C ATOM 1704 C SER A 109 11.488 -8.100 0.198 1.00 0.00 C ATOM 1705 O SER A 109 11.854 -9.180 -0.279 1.00 0.00 O ATOM 1706 CB SER A 109 10.465 -6.454 -1.456 1.00 0.00 C ATOM 1707 OG SER A 109 10.877 -7.140 -2.617 1.00 0.00 O ATOM 0 H SER A 109 9.776 -5.658 0.770 1.00 0.00 H new ATOM 0 HA SER A 109 9.506 -8.175 -0.643 1.00 0.00 H new ATOM 0 HB2 SER A 109 9.560 -5.886 -1.672 1.00 0.00 H new ATOM 0 HB3 SER A 109 11.232 -5.734 -1.168 1.00 0.00 H new ATOM 0 HG SER A 109 11.034 -6.496 -3.339 1.00 0.00 H new ATOM 1713 N GLY A 110 12.191 -7.486 1.158 1.00 0.00 N ATOM 1714 CA GLY A 110 13.416 -8.026 1.718 1.00 0.00 C ATOM 1715 C GLY A 110 13.073 -9.177 2.679 1.00 0.00 C ATOM 1716 O GLY A 110 12.041 -9.126 3.360 1.00 0.00 O ATOM 0 H GLY A 110 11.915 -6.593 1.565 1.00 0.00 H new ATOM 0 HA2 GLY A 110 14.067 -8.385 0.920 1.00 0.00 H new ATOM 0 HA3 GLY A 110 13.962 -7.245 2.248 1.00 0.00 H new ATOM 1720 N PRO A 111 13.939 -10.196 2.795 1.00 0.00 N ATOM 1721 CA PRO A 111 13.745 -11.349 3.658 1.00 0.00 C ATOM 1722 C PRO A 111 14.003 -10.976 5.122 1.00 0.00 C ATOM 1723 O PRO A 111 15.122 -11.130 5.605 1.00 0.00 O ATOM 1724 CB PRO A 111 14.735 -12.400 3.139 1.00 0.00 C ATOM 1725 CG PRO A 111 15.877 -11.555 2.585 1.00 0.00 C ATOM 1726 CD PRO A 111 15.163 -10.338 2.025 1.00 0.00 C ATOM 0 HA PRO A 111 12.723 -11.728 3.633 1.00 0.00 H new ATOM 0 HB2 PRO A 111 15.073 -13.063 3.935 1.00 0.00 H new ATOM 0 HB3 PRO A 111 14.288 -13.029 2.369 1.00 0.00 H new ATOM 0 HG2 PRO A 111 16.590 -11.282 3.362 1.00 0.00 H new ATOM 0 HG3 PRO A 111 16.434 -12.086 1.813 1.00 0.00 H new ATOM 0 HD2 PRO A 111 15.784 -9.447 2.114 1.00 0.00 H new ATOM 0 HD3 PRO A 111 14.943 -10.469 0.965 1.00 0.00 H new ATOM 1734 N SER A 112 12.987 -10.482 5.833 1.00 0.00 N ATOM 1735 CA SER A 112 13.064 -10.108 7.245 1.00 0.00 C ATOM 1736 C SER A 112 13.648 -11.291 8.010 1.00 0.00 C ATOM 1737 O SER A 112 13.356 -12.433 7.649 1.00 0.00 O ATOM 1738 CB SER A 112 11.671 -9.824 7.809 1.00 0.00 C ATOM 1739 OG SER A 112 10.879 -9.019 6.964 1.00 0.00 O ATOM 0 H SER A 112 12.063 -10.327 5.430 1.00 0.00 H new ATOM 0 HA SER A 112 13.678 -9.213 7.345 1.00 0.00 H new ATOM 0 HB2 SER A 112 11.158 -10.770 7.983 1.00 0.00 H new ATOM 0 HB3 SER A 112 11.772 -9.333 8.777 1.00 0.00 H new ATOM 0 HG SER A 112 10.002 -8.875 7.377 1.00 0.00 H new ATOM 1745 N SER A 113 14.365 -11.027 9.099 1.00 0.00 N ATOM 1746 CA SER A 113 15.031 -12.027 9.931 1.00 0.00 C ATOM 1747 C SER A 113 16.357 -12.476 9.285 1.00 0.00 C ATOM 1748 O SER A 113 16.961 -13.451 9.730 1.00 0.00 O ATOM 1749 CB SER A 113 14.115 -13.191 10.341 1.00 0.00 C ATOM 1750 OG SER A 113 12.895 -12.713 10.886 1.00 0.00 O ATOM 0 H SER A 113 14.504 -10.076 9.439 1.00 0.00 H new ATOM 0 HA SER A 113 15.283 -11.549 10.878 1.00 0.00 H new ATOM 0 HB2 SER A 113 13.909 -13.818 9.474 1.00 0.00 H new ATOM 0 HB3 SER A 113 14.624 -13.817 11.074 1.00 0.00 H new ATOM 0 HG SER A 113 12.329 -13.473 11.137 1.00 0.00 H new ATOM 1756 N GLY A 114 16.808 -11.760 8.253 1.00 0.00 N ATOM 1757 CA GLY A 114 18.021 -11.934 7.475 1.00 0.00 C ATOM 1758 C GLY A 114 18.138 -10.728 6.563 1.00 0.00 C ATOM 1759 O GLY A 114 18.876 -10.789 5.563 1.00 0.00 O ATOM 0 H GLY A 114 16.271 -10.963 7.912 1.00 0.00 H new ATOM 0 HA2 GLY A 114 18.891 -12.010 8.128 1.00 0.00 H new ATOM 0 HA3 GLY A 114 17.978 -12.855 6.893 1.00 0.00 H new TER 1763 GLY A 114