USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 658 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 28 ASN : amide:sc= -1.62 X(o=-1.7,f=-1.9) USER MOD Set 1.2: A 84 LYS NZ :NH3+ -154:sc= -0.0696 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 171:sc=-0.00741 (180deg=-0.0725) USER MOD Single : A 2 SER OG : rot 23:sc= 1.12 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= 0.0102 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -0.231 X(o=-0.23,f=-0.033) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot -124:sc= 0.917 USER MOD Single : A 42 GLN : amide:sc=-0.00198 X(o=-0.002,f=0) USER MOD Single : A 47 GLN : amide:sc= -0.0579 X(o=-0.058,f=0.31) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -1.84! C(o=-1.8!,f=-2.4!) USER MOD Single : A 69 TYR OH : rot -15:sc= 0.21 USER MOD Single : A 72 CYS SG : rot 11:sc= -3.49! USER MOD Single : A 76 GLN : amide:sc= -2.26 X(o=-2.3,f=-1.9) USER MOD Single : A 80 THR OG1 : rot 170:sc= -0.589 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 110:sc= 0.2 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 SER OG : rot 29:sc= 1.03 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot -52:sc= 0.513 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -16.016 -8.776 -24.821 1.00 0.00 N ATOM 2 CA GLY A 1 -15.072 -9.908 -24.606 1.00 0.00 C ATOM 3 C GLY A 1 -13.628 -9.453 -24.535 1.00 0.00 C ATOM 4 O GLY A 1 -12.727 -10.148 -25.005 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.967 -9.149 -25.014 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.044 -8.181 -23.969 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.697 -8.207 -25.631 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.333 -10.424 -23.682 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.183 -10.629 -25.416 1.00 0.00 H new ATOM 10 N SER A 2 -13.407 -8.283 -23.944 1.00 0.00 N ATOM 11 CA SER A 2 -12.062 -7.735 -23.813 1.00 0.00 C ATOM 12 C SER A 2 -12.024 -6.631 -22.760 1.00 0.00 C ATOM 13 O SER A 2 -11.117 -6.583 -21.931 1.00 0.00 O ATOM 14 CB SER A 2 -11.577 -7.190 -25.158 1.00 0.00 C ATOM 15 OG SER A 2 -11.078 -8.230 -25.980 1.00 0.00 O ATOM 0 H SER A 2 -14.142 -7.697 -23.548 1.00 0.00 H new ATOM 0 HA SER A 2 -11.399 -8.539 -23.494 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.398 -6.683 -25.666 1.00 0.00 H new ATOM 0 HB3 SER A 2 -10.797 -6.447 -24.993 1.00 0.00 H new ATOM 0 HG SER A 2 -11.465 -9.085 -25.697 1.00 0.00 H new ATOM 21 N SER A 3 -13.015 -5.748 -22.802 1.00 0.00 N ATOM 22 CA SER A 3 -13.095 -4.644 -21.852 1.00 0.00 C ATOM 23 C SER A 3 -13.983 -5.010 -20.666 1.00 0.00 C ATOM 24 O SER A 3 -14.838 -4.227 -20.251 1.00 0.00 O ATOM 25 CB SER A 3 -13.634 -3.389 -22.541 1.00 0.00 C ATOM 26 OG SER A 3 -12.911 -3.109 -23.728 1.00 0.00 O ATOM 0 H SER A 3 -13.774 -5.775 -23.483 1.00 0.00 H new ATOM 0 HA SER A 3 -12.090 -4.443 -21.481 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.689 -3.525 -22.778 1.00 0.00 H new ATOM 0 HB3 SER A 3 -13.567 -2.540 -21.861 1.00 0.00 H new ATOM 0 HG SER A 3 -13.276 -2.304 -24.151 1.00 0.00 H new ATOM 32 N GLY A 4 -13.776 -6.207 -20.125 1.00 0.00 N ATOM 33 CA GLY A 4 -14.564 -6.655 -18.991 1.00 0.00 C ATOM 34 C GLY A 4 -13.713 -6.949 -17.771 1.00 0.00 C ATOM 35 O GLY A 4 -12.943 -7.909 -17.760 1.00 0.00 O ATOM 0 H GLY A 4 -13.077 -6.874 -20.452 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.301 -5.892 -18.741 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.117 -7.552 -19.269 1.00 0.00 H new ATOM 39 N SER A 5 -13.853 -6.119 -16.742 1.00 0.00 N ATOM 40 CA SER A 5 -13.090 -6.293 -15.511 1.00 0.00 C ATOM 41 C SER A 5 -14.018 -6.565 -14.331 1.00 0.00 C ATOM 42 O SER A 5 -15.211 -6.270 -14.385 1.00 0.00 O ATOM 43 CB SER A 5 -12.243 -5.050 -15.232 1.00 0.00 C ATOM 44 OG SER A 5 -10.973 -5.405 -14.711 1.00 0.00 O ATOM 0 H SER A 5 -14.487 -5.320 -16.736 1.00 0.00 H new ATOM 0 HA SER A 5 -12.431 -7.152 -15.639 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.116 -4.479 -16.152 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.762 -4.403 -14.524 1.00 0.00 H new ATOM 0 HG SER A 5 -10.450 -4.593 -14.543 1.00 0.00 H new ATOM 50 N SER A 6 -13.460 -7.128 -13.264 1.00 0.00 N ATOM 51 CA SER A 6 -14.237 -7.441 -12.071 1.00 0.00 C ATOM 52 C SER A 6 -13.884 -6.490 -10.930 1.00 0.00 C ATOM 53 O SER A 6 -14.752 -6.085 -10.157 1.00 0.00 O ATOM 54 CB SER A 6 -13.989 -8.887 -11.638 1.00 0.00 C ATOM 55 OG SER A 6 -12.634 -9.253 -11.834 1.00 0.00 O ATOM 0 H SER A 6 -12.473 -7.377 -13.202 1.00 0.00 H new ATOM 0 HA SER A 6 -15.293 -7.318 -12.313 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.253 -9.005 -10.587 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.635 -9.556 -12.206 1.00 0.00 H new ATOM 0 HG SER A 6 -12.501 -10.181 -11.548 1.00 0.00 H new ATOM 61 N GLY A 7 -12.606 -6.139 -10.833 1.00 0.00 N ATOM 62 CA GLY A 7 -12.161 -5.239 -9.785 1.00 0.00 C ATOM 63 C GLY A 7 -10.671 -4.969 -9.846 1.00 0.00 C ATOM 64 O GLY A 7 -10.225 -4.072 -10.561 1.00 0.00 O ATOM 0 H GLY A 7 -11.870 -6.462 -11.461 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.702 -4.296 -9.867 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.410 -5.666 -8.814 1.00 0.00 H new ATOM 68 N ALA A 8 -9.899 -5.747 -9.093 1.00 0.00 N ATOM 69 CA ALA A 8 -8.451 -5.587 -9.063 1.00 0.00 C ATOM 70 C ALA A 8 -7.750 -6.940 -9.019 1.00 0.00 C ATOM 71 O ALA A 8 -7.982 -7.741 -8.113 1.00 0.00 O ATOM 72 CB ALA A 8 -8.039 -4.738 -7.870 1.00 0.00 C ATOM 0 H ALA A 8 -10.253 -6.494 -8.496 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.147 -5.080 -9.979 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.955 -4.627 -7.860 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -8.504 -3.755 -7.945 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.362 -5.223 -6.949 1.00 0.00 H new ATOM 78 N ALA A 9 -6.892 -7.190 -10.003 1.00 0.00 N ATOM 79 CA ALA A 9 -6.156 -8.447 -10.076 1.00 0.00 C ATOM 80 C ALA A 9 -4.693 -8.249 -9.698 1.00 0.00 C ATOM 81 O ALA A 9 -3.812 -8.948 -10.200 1.00 0.00 O ATOM 82 CB ALA A 9 -6.268 -9.041 -11.471 1.00 0.00 C ATOM 0 H ALA A 9 -6.689 -6.538 -10.761 1.00 0.00 H new ATOM 0 HA ALA A 9 -6.597 -9.141 -9.361 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -5.714 -9.979 -11.513 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -7.316 -9.228 -11.704 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.854 -8.343 -12.198 1.00 0.00 H new ATOM 88 N GLU A 10 -4.439 -7.293 -8.811 1.00 0.00 N ATOM 89 CA GLU A 10 -3.080 -7.004 -8.366 1.00 0.00 C ATOM 90 C GLU A 10 -2.658 -7.960 -7.253 1.00 0.00 C ATOM 91 O GLU A 10 -3.425 -8.229 -6.328 1.00 0.00 O ATOM 92 CB GLU A 10 -2.978 -5.555 -7.881 1.00 0.00 C ATOM 93 CG GLU A 10 -2.178 -4.660 -8.813 1.00 0.00 C ATOM 94 CD GLU A 10 -3.012 -4.113 -9.955 1.00 0.00 C ATOM 95 OE1 GLU A 10 -3.378 -4.901 -10.851 1.00 0.00 O ATOM 96 OE2 GLU A 10 -3.297 -2.898 -9.953 1.00 0.00 O ATOM 0 H GLU A 10 -5.156 -6.705 -8.386 1.00 0.00 H new ATOM 0 HA GLU A 10 -2.408 -7.143 -9.212 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.982 -5.146 -7.770 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.517 -5.542 -6.893 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.760 -3.830 -8.243 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.338 -5.223 -9.219 1.00 0.00 H new ATOM 103 N VAL A 11 -1.435 -8.470 -7.351 1.00 0.00 N ATOM 104 CA VAL A 11 -0.911 -9.394 -6.353 1.00 0.00 C ATOM 105 C VAL A 11 -0.173 -8.648 -5.246 1.00 0.00 C ATOM 106 O VAL A 11 0.183 -7.481 -5.401 1.00 0.00 O ATOM 107 CB VAL A 11 0.045 -10.423 -6.987 1.00 0.00 C ATOM 108 CG1 VAL A 11 -0.719 -11.374 -7.894 1.00 0.00 C ATOM 109 CG2 VAL A 11 1.155 -9.719 -7.752 1.00 0.00 C ATOM 0 H VAL A 11 -0.789 -8.259 -8.111 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.767 -9.917 -5.927 1.00 0.00 H new ATOM 0 HB VAL A 11 0.501 -11.009 -6.189 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.027 -12.093 -8.333 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.473 -11.904 -7.313 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.205 -10.808 -8.688 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.820 -10.461 -8.193 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.721 -9.106 -8.542 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.721 -9.084 -7.070 1.00 0.00 H new ATOM 119 N GLY A 12 0.052 -9.331 -4.127 1.00 0.00 N ATOM 120 CA GLY A 12 0.745 -8.716 -3.010 1.00 0.00 C ATOM 121 C GLY A 12 2.105 -9.339 -2.759 1.00 0.00 C ATOM 122 O GLY A 12 2.368 -10.464 -3.183 1.00 0.00 O ATOM 0 H GLY A 12 -0.233 -10.298 -3.975 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.867 -7.650 -3.204 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.135 -8.809 -2.112 1.00 0.00 H new ATOM 126 N ASP A 13 2.970 -8.605 -2.066 1.00 0.00 N ATOM 127 CA ASP A 13 4.310 -9.091 -1.758 1.00 0.00 C ATOM 128 C ASP A 13 4.273 -10.099 -0.615 1.00 0.00 C ATOM 129 O ASP A 13 3.567 -9.905 0.374 1.00 0.00 O ATOM 130 CB ASP A 13 5.228 -7.923 -1.396 1.00 0.00 C ATOM 131 CG ASP A 13 6.686 -8.334 -1.320 1.00 0.00 C ATOM 132 OD1 ASP A 13 7.235 -8.763 -2.356 1.00 0.00 O ATOM 133 OD2 ASP A 13 7.278 -8.227 -0.226 1.00 0.00 O ATOM 0 H ASP A 13 2.767 -7.672 -1.707 1.00 0.00 H new ATOM 0 HA ASP A 13 4.702 -9.589 -2.645 1.00 0.00 H new ATOM 0 HB2 ASP A 13 5.115 -7.132 -2.138 1.00 0.00 H new ATOM 0 HB3 ASP A 13 4.920 -7.507 -0.437 1.00 0.00 H new ATOM 138 N ASP A 14 5.039 -11.176 -0.757 1.00 0.00 N ATOM 139 CA ASP A 14 5.094 -12.215 0.265 1.00 0.00 C ATOM 140 C ASP A 14 5.768 -11.698 1.531 1.00 0.00 C ATOM 141 O ASP A 14 5.419 -12.098 2.641 1.00 0.00 O ATOM 142 CB ASP A 14 5.843 -13.440 -0.263 1.00 0.00 C ATOM 143 CG ASP A 14 5.198 -14.743 0.168 1.00 0.00 C ATOM 144 OD1 ASP A 14 4.629 -14.784 1.280 1.00 0.00 O ATOM 145 OD2 ASP A 14 5.262 -15.722 -0.605 1.00 0.00 O ATOM 0 H ASP A 14 5.630 -11.352 -1.570 1.00 0.00 H new ATOM 0 HA ASP A 14 4.072 -12.502 0.511 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.879 -13.399 -1.352 1.00 0.00 H new ATOM 0 HB3 ASP A 14 6.873 -13.413 0.092 1.00 0.00 H new ATOM 150 N PHE A 15 6.737 -10.805 1.356 1.00 0.00 N ATOM 151 CA PHE A 15 7.462 -10.232 2.485 1.00 0.00 C ATOM 152 C PHE A 15 6.885 -8.873 2.867 1.00 0.00 C ATOM 153 O PHE A 15 6.229 -8.215 2.059 1.00 0.00 O ATOM 154 CB PHE A 15 8.947 -10.092 2.146 1.00 0.00 C ATOM 155 CG PHE A 15 9.844 -10.131 3.351 1.00 0.00 C ATOM 156 CD1 PHE A 15 10.188 -11.340 3.935 1.00 0.00 C ATOM 157 CD2 PHE A 15 10.343 -8.960 3.898 1.00 0.00 C ATOM 158 CE1 PHE A 15 11.013 -11.379 5.044 1.00 0.00 C ATOM 159 CE2 PHE A 15 11.168 -8.993 5.006 1.00 0.00 C ATOM 160 CZ PHE A 15 11.503 -10.204 5.579 1.00 0.00 C ATOM 0 H PHE A 15 7.038 -10.463 0.444 1.00 0.00 H new ATOM 0 HA PHE A 15 7.353 -10.905 3.335 1.00 0.00 H new ATOM 0 HB2 PHE A 15 9.233 -10.893 1.464 1.00 0.00 H new ATOM 0 HB3 PHE A 15 9.104 -9.152 1.617 1.00 0.00 H new ATOM 0 HD1 PHE A 15 9.808 -12.261 3.519 1.00 0.00 H new ATOM 0 HD2 PHE A 15 10.084 -8.010 3.453 1.00 0.00 H new ATOM 0 HE1 PHE A 15 11.274 -12.327 5.491 1.00 0.00 H new ATOM 0 HE2 PHE A 15 11.550 -8.073 5.423 1.00 0.00 H new ATOM 0 HZ PHE A 15 12.148 -10.232 6.445 1.00 0.00 H new ATOM 170 N LEU A 16 7.136 -8.456 4.104 1.00 0.00 N ATOM 171 CA LEU A 16 6.642 -7.175 4.594 1.00 0.00 C ATOM 172 C LEU A 16 7.725 -6.104 4.506 1.00 0.00 C ATOM 173 O LEU A 16 8.917 -6.409 4.546 1.00 0.00 O ATOM 174 CB LEU A 16 6.158 -7.309 6.039 1.00 0.00 C ATOM 175 CG LEU A 16 4.704 -7.763 6.196 1.00 0.00 C ATOM 176 CD1 LEU A 16 4.518 -8.510 7.507 1.00 0.00 C ATOM 177 CD2 LEU A 16 3.765 -6.568 6.121 1.00 0.00 C ATOM 0 H LEU A 16 7.679 -8.987 4.785 1.00 0.00 H new ATOM 0 HA LEU A 16 5.805 -6.873 3.965 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.802 -8.019 6.558 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.278 -6.347 6.537 1.00 0.00 H new ATOM 0 HG LEU A 16 4.462 -8.442 5.379 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.479 -8.825 7.602 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.166 -9.386 7.521 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.776 -7.855 8.339 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.735 -6.907 6.234 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.006 -5.865 6.919 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.881 -6.074 5.156 1.00 0.00 H new ATOM 189 N GLY A 17 7.302 -4.850 4.386 1.00 0.00 N ATOM 190 CA GLY A 17 8.249 -3.754 4.295 1.00 0.00 C ATOM 191 C GLY A 17 8.594 -3.171 5.651 1.00 0.00 C ATOM 192 O GLY A 17 8.127 -3.658 6.681 1.00 0.00 O ATOM 0 H GLY A 17 6.321 -4.573 4.350 1.00 0.00 H new ATOM 0 HA2 GLY A 17 9.161 -4.105 3.811 1.00 0.00 H new ATOM 0 HA3 GLY A 17 7.833 -2.971 3.661 1.00 0.00 H new ATOM 196 N ASP A 18 9.413 -2.124 5.652 1.00 0.00 N ATOM 197 CA ASP A 18 9.821 -1.473 6.892 1.00 0.00 C ATOM 198 C ASP A 18 9.078 -0.154 7.083 1.00 0.00 C ATOM 199 O ASP A 18 9.662 0.923 6.961 1.00 0.00 O ATOM 200 CB ASP A 18 11.331 -1.229 6.891 1.00 0.00 C ATOM 201 CG ASP A 18 11.918 -1.240 8.289 1.00 0.00 C ATOM 202 OD1 ASP A 18 11.597 -0.325 9.075 1.00 0.00 O ATOM 203 OD2 ASP A 18 12.701 -2.164 8.596 1.00 0.00 O ATOM 0 H ASP A 18 9.807 -1.708 4.808 1.00 0.00 H new ATOM 0 HA ASP A 18 9.569 -2.134 7.722 1.00 0.00 H new ATOM 0 HB2 ASP A 18 11.820 -1.994 6.288 1.00 0.00 H new ATOM 0 HB3 ASP A 18 11.541 -0.269 6.419 1.00 0.00 H new ATOM 208 N PHE A 19 7.786 -0.247 7.382 1.00 0.00 N ATOM 209 CA PHE A 19 6.963 0.938 7.590 1.00 0.00 C ATOM 210 C PHE A 19 5.919 0.692 8.675 1.00 0.00 C ATOM 211 O PHE A 19 5.644 -0.452 9.037 1.00 0.00 O ATOM 212 CB PHE A 19 6.273 1.339 6.285 1.00 0.00 C ATOM 213 CG PHE A 19 7.228 1.565 5.146 1.00 0.00 C ATOM 214 CD1 PHE A 19 7.990 2.720 5.083 1.00 0.00 C ATOM 215 CD2 PHE A 19 7.362 0.620 4.141 1.00 0.00 C ATOM 216 CE1 PHE A 19 8.868 2.929 4.036 1.00 0.00 C ATOM 217 CE2 PHE A 19 8.238 0.825 3.092 1.00 0.00 C ATOM 218 CZ PHE A 19 8.993 1.980 3.040 1.00 0.00 C ATOM 0 H PHE A 19 7.287 -1.131 7.486 1.00 0.00 H new ATOM 0 HA PHE A 19 7.614 1.750 7.915 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.563 0.561 6.005 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.698 2.250 6.452 1.00 0.00 H new ATOM 0 HD1 PHE A 19 7.897 3.465 5.860 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.776 -0.286 4.178 1.00 0.00 H new ATOM 0 HE1 PHE A 19 9.456 3.834 3.997 1.00 0.00 H new ATOM 0 HE2 PHE A 19 8.332 0.082 2.313 1.00 0.00 H new ATOM 0 HZ PHE A 19 9.680 2.141 2.222 1.00 0.00 H new ATOM 228 N VAL A 20 5.342 1.773 9.191 1.00 0.00 N ATOM 229 CA VAL A 20 4.330 1.674 10.235 1.00 0.00 C ATOM 230 C VAL A 20 3.160 2.613 9.956 1.00 0.00 C ATOM 231 O VAL A 20 3.152 3.330 8.956 1.00 0.00 O ATOM 232 CB VAL A 20 4.917 2.003 11.620 1.00 0.00 C ATOM 233 CG1 VAL A 20 5.885 0.917 12.063 1.00 0.00 C ATOM 234 CG2 VAL A 20 5.600 3.362 11.601 1.00 0.00 C ATOM 0 H VAL A 20 5.559 2.727 8.903 1.00 0.00 H new ATOM 0 HA VAL A 20 3.975 0.643 10.235 1.00 0.00 H new ATOM 0 HB VAL A 20 4.100 2.043 12.340 1.00 0.00 H new ATOM 0 HG11 VAL A 20 6.289 1.168 13.044 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.361 -0.037 12.120 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.700 0.841 11.343 1.00 0.00 H new ATOM 0 HG21 VAL A 20 6.009 3.578 12.588 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.407 3.354 10.868 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.875 4.130 11.333 1.00 0.00 H new ATOM 244 N VAL A 21 2.174 2.601 10.848 1.00 0.00 N ATOM 245 CA VAL A 21 1.000 3.451 10.698 1.00 0.00 C ATOM 246 C VAL A 21 1.210 4.803 11.372 1.00 0.00 C ATOM 247 O VAL A 21 1.625 4.873 12.528 1.00 0.00 O ATOM 248 CB VAL A 21 -0.256 2.786 11.291 1.00 0.00 C ATOM 249 CG1 VAL A 21 -1.501 3.592 10.951 1.00 0.00 C ATOM 250 CG2 VAL A 21 -0.387 1.354 10.794 1.00 0.00 C ATOM 0 H VAL A 21 2.166 2.012 11.681 1.00 0.00 H new ATOM 0 HA VAL A 21 0.853 3.599 9.628 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.153 2.762 12.376 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.378 3.106 11.379 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.407 4.597 11.362 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.612 3.651 9.868 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -1.280 0.900 11.223 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.466 1.352 9.707 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.491 0.783 11.095 1.00 0.00 H new ATOM 260 N GLY A 22 0.922 5.875 10.640 1.00 0.00 N ATOM 261 CA GLY A 22 1.087 7.210 11.184 1.00 0.00 C ATOM 262 C GLY A 22 2.347 7.887 10.685 1.00 0.00 C ATOM 263 O GLY A 22 2.995 8.630 11.423 1.00 0.00 O ATOM 0 H GLY A 22 0.578 5.843 9.680 1.00 0.00 H new ATOM 0 HA2 GLY A 22 0.222 7.817 10.917 1.00 0.00 H new ATOM 0 HA3 GLY A 22 1.114 7.155 12.272 1.00 0.00 H new ATOM 267 N GLU A 23 2.696 7.631 9.429 1.00 0.00 N ATOM 268 CA GLU A 23 3.889 8.220 8.831 1.00 0.00 C ATOM 269 C GLU A 23 3.662 8.524 7.353 1.00 0.00 C ATOM 270 O GLU A 23 2.668 8.096 6.767 1.00 0.00 O ATOM 271 CB GLU A 23 5.083 7.278 8.992 1.00 0.00 C ATOM 272 CG GLU A 23 4.903 5.942 8.290 1.00 0.00 C ATOM 273 CD GLU A 23 6.130 5.058 8.392 1.00 0.00 C ATOM 274 OE1 GLU A 23 6.937 5.269 9.322 1.00 0.00 O ATOM 275 OE2 GLU A 23 6.286 4.157 7.542 1.00 0.00 O ATOM 0 H GLU A 23 2.170 7.019 8.805 1.00 0.00 H new ATOM 0 HA GLU A 23 4.101 9.156 9.348 1.00 0.00 H new ATOM 0 HB2 GLU A 23 5.976 7.767 8.602 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.255 7.101 10.054 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.048 5.421 8.722 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.672 6.117 7.239 1.00 0.00 H new ATOM 282 N ARG A 24 4.591 9.265 6.758 1.00 0.00 N ATOM 283 CA ARG A 24 4.493 9.626 5.349 1.00 0.00 C ATOM 284 C ARG A 24 5.339 8.693 4.489 1.00 0.00 C ATOM 285 O ARG A 24 6.564 8.659 4.611 1.00 0.00 O ATOM 286 CB ARG A 24 4.934 11.077 5.140 1.00 0.00 C ATOM 287 CG ARG A 24 3.776 12.051 5.002 1.00 0.00 C ATOM 288 CD ARG A 24 2.933 12.098 6.266 1.00 0.00 C ATOM 289 NE ARG A 24 3.210 13.291 7.064 1.00 0.00 N ATOM 290 CZ ARG A 24 2.392 13.763 8.001 1.00 0.00 C ATOM 291 NH1 ARG A 24 1.245 13.147 8.262 1.00 0.00 N ATOM 292 NH2 ARG A 24 2.721 14.854 8.679 1.00 0.00 N ATOM 0 H ARG A 24 5.420 9.627 7.230 1.00 0.00 H new ATOM 0 HA ARG A 24 3.451 9.525 5.044 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.557 11.383 5.980 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.554 11.134 4.246 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.161 13.047 4.783 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.152 11.758 4.158 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.877 12.078 5.998 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.127 11.208 6.865 1.00 0.00 H new ATOM 0 HE ARG A 24 4.082 13.791 6.892 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.987 12.308 7.743 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.622 13.513 8.981 1.00 0.00 H new ATOM 0 HH21 ARG A 24 3.601 15.331 8.482 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.094 15.216 9.397 1.00 0.00 H new ATOM 306 N VAL A 25 4.678 7.935 3.620 1.00 0.00 N ATOM 307 CA VAL A 25 5.369 7.000 2.740 1.00 0.00 C ATOM 308 C VAL A 25 5.010 7.252 1.280 1.00 0.00 C ATOM 309 O VAL A 25 3.839 7.405 0.935 1.00 0.00 O ATOM 310 CB VAL A 25 5.033 5.540 3.094 1.00 0.00 C ATOM 311 CG1 VAL A 25 5.566 5.188 4.474 1.00 0.00 C ATOM 312 CG2 VAL A 25 3.532 5.306 3.018 1.00 0.00 C ATOM 0 H VAL A 25 3.664 7.950 3.507 1.00 0.00 H new ATOM 0 HA VAL A 25 6.437 7.163 2.883 1.00 0.00 H new ATOM 0 HB VAL A 25 5.517 4.888 2.367 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.319 4.152 4.706 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.649 5.315 4.489 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.113 5.844 5.217 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.312 4.269 3.271 1.00 0.00 H new ATOM 0 HG22 VAL A 25 3.025 5.967 3.721 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.182 5.515 2.007 1.00 0.00 H new ATOM 322 N TRP A 26 6.028 7.293 0.425 1.00 0.00 N ATOM 323 CA TRP A 26 5.821 7.525 -0.999 1.00 0.00 C ATOM 324 C TRP A 26 5.410 6.238 -1.707 1.00 0.00 C ATOM 325 O TRP A 26 6.178 5.278 -1.766 1.00 0.00 O ATOM 326 CB TRP A 26 7.095 8.085 -1.635 1.00 0.00 C ATOM 327 CG TRP A 26 7.216 9.574 -1.512 1.00 0.00 C ATOM 328 CD1 TRP A 26 7.101 10.491 -2.518 1.00 0.00 C ATOM 329 CD2 TRP A 26 7.478 10.318 -0.317 1.00 0.00 C ATOM 330 NE1 TRP A 26 7.275 11.759 -2.020 1.00 0.00 N ATOM 331 CE2 TRP A 26 7.508 11.679 -0.672 1.00 0.00 C ATOM 332 CE3 TRP A 26 7.690 9.965 1.018 1.00 0.00 C ATOM 333 CZ2 TRP A 26 7.740 12.687 0.261 1.00 0.00 C ATOM 334 CZ3 TRP A 26 7.921 10.966 1.943 1.00 0.00 C ATOM 335 CH2 TRP A 26 7.944 12.313 1.561 1.00 0.00 C ATOM 0 H TRP A 26 7.004 7.168 0.695 1.00 0.00 H new ATOM 0 HA TRP A 26 5.016 8.252 -1.110 1.00 0.00 H new ATOM 0 HB2 TRP A 26 7.962 7.617 -1.167 1.00 0.00 H new ATOM 0 HB3 TRP A 26 7.116 7.812 -2.690 1.00 0.00 H new ATOM 0 HD1 TRP A 26 6.902 10.254 -3.553 1.00 0.00 H new ATOM 0 HE1 TRP A 26 7.237 12.620 -2.565 1.00 0.00 H new ATOM 0 HE3 TRP A 26 7.674 8.929 1.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 7.758 13.726 -0.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 8.087 10.705 2.978 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.126 13.072 2.308 1.00 0.00 H new ATOM 346 N VAL A 27 4.195 6.225 -2.243 1.00 0.00 N ATOM 347 CA VAL A 27 3.682 5.057 -2.947 1.00 0.00 C ATOM 348 C VAL A 27 4.313 4.928 -4.330 1.00 0.00 C ATOM 349 O VAL A 27 4.050 5.736 -5.221 1.00 0.00 O ATOM 350 CB VAL A 27 2.151 5.118 -3.099 1.00 0.00 C ATOM 351 CG1 VAL A 27 1.614 3.809 -3.656 1.00 0.00 C ATOM 352 CG2 VAL A 27 1.496 5.446 -1.765 1.00 0.00 C ATOM 0 H VAL A 27 3.547 7.011 -2.203 1.00 0.00 H new ATOM 0 HA VAL A 27 3.945 4.186 -2.346 1.00 0.00 H new ATOM 0 HB VAL A 27 1.907 5.912 -3.805 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.530 3.873 -3.756 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.058 3.620 -4.634 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.868 2.994 -2.979 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.414 5.485 -1.891 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.749 4.676 -1.036 1.00 0.00 H new ATOM 0 HG23 VAL A 27 1.855 6.412 -1.411 1.00 0.00 H new ATOM 362 N ASN A 28 5.148 3.908 -4.501 1.00 0.00 N ATOM 363 CA ASN A 28 5.817 3.674 -5.775 1.00 0.00 C ATOM 364 C ASN A 28 6.703 4.859 -6.149 1.00 0.00 C ATOM 365 O ASN A 28 6.898 5.153 -7.328 1.00 0.00 O ATOM 366 CB ASN A 28 4.787 3.419 -6.877 1.00 0.00 C ATOM 367 CG ASN A 28 4.904 2.026 -7.468 1.00 0.00 C ATOM 368 OD1 ASN A 28 6.001 1.558 -7.770 1.00 0.00 O ATOM 369 ND2 ASN A 28 3.769 1.357 -7.635 1.00 0.00 N ATOM 0 H ASN A 28 5.377 3.231 -3.773 1.00 0.00 H new ATOM 0 HA ASN A 28 6.449 2.792 -5.670 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.784 3.556 -6.472 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.915 4.158 -7.668 1.00 0.00 H new ATOM 0 HD21 ASN A 28 3.785 0.416 -8.028 1.00 0.00 H new ATOM 0 HD22 ASN A 28 2.881 1.784 -7.370 1.00 0.00 H new ATOM 376 N GLY A 29 7.238 5.535 -5.137 1.00 0.00 N ATOM 377 CA GLY A 29 8.096 6.679 -5.380 1.00 0.00 C ATOM 378 C GLY A 29 7.398 7.773 -6.165 1.00 0.00 C ATOM 379 O GLY A 29 8.038 8.518 -6.908 1.00 0.00 O ATOM 0 H GLY A 29 7.092 5.310 -4.153 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.437 7.082 -4.426 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.983 6.355 -5.925 1.00 0.00 H new ATOM 383 N VAL A 30 6.084 7.870 -6.000 1.00 0.00 N ATOM 384 CA VAL A 30 5.298 8.880 -6.698 1.00 0.00 C ATOM 385 C VAL A 30 4.923 10.027 -5.766 1.00 0.00 C ATOM 386 O VAL A 30 5.381 11.156 -5.940 1.00 0.00 O ATOM 387 CB VAL A 30 4.011 8.278 -7.295 1.00 0.00 C ATOM 388 CG1 VAL A 30 3.308 9.293 -8.183 1.00 0.00 C ATOM 389 CG2 VAL A 30 4.326 7.007 -8.069 1.00 0.00 C ATOM 0 H VAL A 30 5.540 7.261 -5.389 1.00 0.00 H new ATOM 0 HA VAL A 30 5.922 9.261 -7.507 1.00 0.00 H new ATOM 0 HB VAL A 30 3.338 8.020 -6.477 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.402 8.850 -8.595 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.046 10.172 -7.594 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.971 9.586 -8.997 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.406 6.596 -8.483 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.018 7.237 -8.879 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.781 6.277 -7.400 1.00 0.00 H new ATOM 399 N LYS A 31 4.089 9.729 -4.776 1.00 0.00 N ATOM 400 CA LYS A 31 3.652 10.736 -3.815 1.00 0.00 C ATOM 401 C LYS A 31 3.504 10.131 -2.421 1.00 0.00 C ATOM 402 O LYS A 31 3.213 8.943 -2.279 1.00 0.00 O ATOM 403 CB LYS A 31 2.325 11.353 -4.259 1.00 0.00 C ATOM 404 CG LYS A 31 2.466 12.341 -5.406 1.00 0.00 C ATOM 405 CD LYS A 31 1.505 13.510 -5.258 1.00 0.00 C ATOM 406 CE LYS A 31 1.168 14.128 -6.605 1.00 0.00 C ATOM 407 NZ LYS A 31 1.994 15.335 -6.884 1.00 0.00 N ATOM 0 H LYS A 31 3.702 8.799 -4.618 1.00 0.00 H new ATOM 0 HA LYS A 31 4.412 11.516 -3.774 1.00 0.00 H new ATOM 0 HB2 LYS A 31 1.646 10.555 -4.559 1.00 0.00 H new ATOM 0 HB3 LYS A 31 1.867 11.859 -3.409 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.490 12.713 -5.443 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.278 11.832 -6.351 1.00 0.00 H new ATOM 0 HD2 LYS A 31 0.590 13.171 -4.773 1.00 0.00 H new ATOM 0 HD3 LYS A 31 1.948 14.266 -4.610 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.325 13.391 -7.392 1.00 0.00 H new ATOM 0 HE3 LYS A 31 0.112 14.398 -6.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 1.734 15.727 -7.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.825 16.049 -6.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.001 15.073 -6.889 1.00 0.00 H new ATOM 421 N PRO A 32 3.702 10.944 -1.369 1.00 0.00 N ATOM 422 CA PRO A 32 3.589 10.483 0.018 1.00 0.00 C ATOM 423 C PRO A 32 2.142 10.223 0.424 1.00 0.00 C ATOM 424 O PRO A 32 1.209 10.635 -0.264 1.00 0.00 O ATOM 425 CB PRO A 32 4.172 11.644 0.825 1.00 0.00 C ATOM 426 CG PRO A 32 3.941 12.846 -0.025 1.00 0.00 C ATOM 427 CD PRO A 32 4.053 12.376 -1.450 1.00 0.00 C ATOM 0 HA PRO A 32 4.104 9.535 0.178 1.00 0.00 H new ATOM 0 HB2 PRO A 32 3.679 11.742 1.792 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.234 11.496 1.022 1.00 0.00 H new ATOM 0 HG2 PRO A 32 2.958 13.277 0.167 1.00 0.00 H new ATOM 0 HG3 PRO A 32 4.676 13.622 0.189 1.00 0.00 H new ATOM 0 HD2 PRO A 32 3.373 12.919 -2.106 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.059 12.521 -1.843 1.00 0.00 H new ATOM 435 N GLY A 33 1.965 9.536 1.549 1.00 0.00 N ATOM 436 CA GLY A 33 0.628 9.233 2.028 1.00 0.00 C ATOM 437 C GLY A 33 0.631 8.681 3.440 1.00 0.00 C ATOM 438 O GLY A 33 1.549 7.961 3.830 1.00 0.00 O ATOM 0 H GLY A 33 2.721 9.185 2.136 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.020 10.137 1.996 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.161 8.510 1.359 1.00 0.00 H new ATOM 442 N VAL A 34 -0.401 9.019 4.207 1.00 0.00 N ATOM 443 CA VAL A 34 -0.515 8.552 5.584 1.00 0.00 C ATOM 444 C VAL A 34 -0.958 7.093 5.633 1.00 0.00 C ATOM 445 O VAL A 34 -2.065 6.757 5.213 1.00 0.00 O ATOM 446 CB VAL A 34 -1.512 9.408 6.388 1.00 0.00 C ATOM 447 CG1 VAL A 34 -1.501 9.008 7.855 1.00 0.00 C ATOM 448 CG2 VAL A 34 -1.196 10.889 6.231 1.00 0.00 C ATOM 0 H VAL A 34 -1.170 9.614 3.898 1.00 0.00 H new ATOM 0 HA VAL A 34 0.474 8.645 6.033 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.512 9.229 5.994 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.212 9.624 8.406 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.782 7.959 7.948 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -0.501 9.154 8.264 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.911 11.477 6.806 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.188 11.087 6.595 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.262 11.166 5.179 1.00 0.00 H new ATOM 458 N VAL A 35 -0.087 6.233 6.148 1.00 0.00 N ATOM 459 CA VAL A 35 -0.389 4.810 6.252 1.00 0.00 C ATOM 460 C VAL A 35 -1.481 4.554 7.284 1.00 0.00 C ATOM 461 O VAL A 35 -1.476 5.139 8.368 1.00 0.00 O ATOM 462 CB VAL A 35 0.862 3.996 6.635 1.00 0.00 C ATOM 463 CG1 VAL A 35 0.578 2.504 6.543 1.00 0.00 C ATOM 464 CG2 VAL A 35 2.039 4.378 5.751 1.00 0.00 C ATOM 0 H VAL A 35 0.834 6.496 6.500 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.737 4.489 5.270 1.00 0.00 H new ATOM 0 HB VAL A 35 1.122 4.229 7.667 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.473 1.946 6.817 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.233 2.245 7.223 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.291 2.251 5.523 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.913 3.793 6.036 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.792 4.176 4.709 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.257 5.439 5.873 1.00 0.00 H new ATOM 474 N GLN A 36 -2.420 3.678 6.941 1.00 0.00 N ATOM 475 CA GLN A 36 -3.519 3.343 7.838 1.00 0.00 C ATOM 476 C GLN A 36 -3.581 1.839 8.086 1.00 0.00 C ATOM 477 O GLN A 36 -3.760 1.395 9.220 1.00 0.00 O ATOM 478 CB GLN A 36 -4.846 3.832 7.254 1.00 0.00 C ATOM 479 CG GLN A 36 -5.270 5.198 7.769 1.00 0.00 C ATOM 480 CD GLN A 36 -5.745 5.156 9.209 1.00 0.00 C ATOM 481 OE1 GLN A 36 -6.911 4.872 9.483 1.00 0.00 O ATOM 482 NE2 GLN A 36 -4.841 5.442 10.138 1.00 0.00 N ATOM 0 H GLN A 36 -2.441 3.187 6.047 1.00 0.00 H new ATOM 0 HA GLN A 36 -3.343 3.842 8.791 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -4.763 3.872 6.168 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -5.626 3.107 7.487 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -4.432 5.890 7.687 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.068 5.588 7.138 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -3.885 5.672 9.866 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -5.102 5.432 11.124 1.00 0.00 H new ATOM 491 N TYR A 37 -3.432 1.061 7.019 1.00 0.00 N ATOM 492 CA TYR A 37 -3.471 -0.393 7.122 1.00 0.00 C ATOM 493 C TYR A 37 -2.124 -1.000 6.743 1.00 0.00 C ATOM 494 O TYR A 37 -1.451 -0.525 5.828 1.00 0.00 O ATOM 495 CB TYR A 37 -4.570 -0.960 6.221 1.00 0.00 C ATOM 496 CG TYR A 37 -5.119 -2.286 6.696 1.00 0.00 C ATOM 497 CD1 TYR A 37 -4.395 -3.460 6.525 1.00 0.00 C ATOM 498 CD2 TYR A 37 -6.360 -2.365 7.316 1.00 0.00 C ATOM 499 CE1 TYR A 37 -4.894 -4.674 6.958 1.00 0.00 C ATOM 500 CE2 TYR A 37 -6.864 -3.575 7.752 1.00 0.00 C ATOM 501 CZ TYR A 37 -6.127 -4.726 7.571 1.00 0.00 C ATOM 502 OH TYR A 37 -6.627 -5.933 8.003 1.00 0.00 O ATOM 0 H TYR A 37 -3.283 1.413 6.073 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.690 -0.654 8.158 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.386 -0.240 6.160 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -4.175 -1.080 5.212 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -3.428 -3.423 6.046 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -6.940 -1.465 7.459 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.320 -5.578 6.817 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -7.830 -3.619 8.232 1.00 0.00 H new ATOM 0 HH TYR A 37 -7.506 -5.795 8.414 1.00 0.00 H new ATOM 512 N LEU A 38 -1.736 -2.055 7.453 1.00 0.00 N ATOM 513 CA LEU A 38 -0.470 -2.728 7.191 1.00 0.00 C ATOM 514 C LEU A 38 -0.553 -4.206 7.559 1.00 0.00 C ATOM 515 O LEU A 38 -0.630 -4.560 8.736 1.00 0.00 O ATOM 516 CB LEU A 38 0.661 -2.057 7.975 1.00 0.00 C ATOM 517 CG LEU A 38 1.359 -0.907 7.247 1.00 0.00 C ATOM 518 CD1 LEU A 38 2.168 -0.069 8.225 1.00 0.00 C ATOM 519 CD2 LEU A 38 2.249 -1.445 6.137 1.00 0.00 C ATOM 0 H LEU A 38 -2.280 -2.462 8.214 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.259 -2.649 6.124 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.257 -1.680 8.915 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.405 -2.812 8.228 1.00 0.00 H new ATOM 0 HG LEU A 38 0.598 -0.268 6.799 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.657 0.744 7.689 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.505 0.344 8.985 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.922 -0.694 8.703 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.739 -0.614 5.628 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.004 -2.105 6.564 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.643 -2.002 5.422 1.00 0.00 H new ATOM 531 N GLY A 39 -0.537 -5.065 6.545 1.00 0.00 N ATOM 532 CA GLY A 39 -0.611 -6.494 6.783 1.00 0.00 C ATOM 533 C GLY A 39 -1.028 -7.267 5.547 1.00 0.00 C ATOM 534 O GLY A 39 -0.200 -7.579 4.693 1.00 0.00 O ATOM 0 H GLY A 39 -0.474 -4.797 5.563 1.00 0.00 H new ATOM 0 HA2 GLY A 39 0.361 -6.854 7.122 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.321 -6.689 7.587 1.00 0.00 H new ATOM 538 N GLU A 40 -2.317 -7.578 5.454 1.00 0.00 N ATOM 539 CA GLU A 40 -2.844 -8.319 4.314 1.00 0.00 C ATOM 540 C GLU A 40 -4.205 -7.777 3.893 1.00 0.00 C ATOM 541 O GLU A 40 -4.828 -7.003 4.620 1.00 0.00 O ATOM 542 CB GLU A 40 -2.959 -9.807 4.655 1.00 0.00 C ATOM 543 CG GLU A 40 -1.622 -10.531 4.675 1.00 0.00 C ATOM 544 CD GLU A 40 -1.771 -12.019 4.926 1.00 0.00 C ATOM 545 OE1 GLU A 40 -2.601 -12.398 5.778 1.00 0.00 O ATOM 546 OE2 GLU A 40 -1.057 -12.805 4.267 1.00 0.00 O ATOM 0 H GLU A 40 -3.015 -7.328 6.154 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.151 -8.195 3.482 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.435 -9.912 5.630 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -3.613 -10.289 3.928 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -1.114 -10.375 3.723 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -0.989 -10.097 5.449 1.00 0.00 H new ATOM 553 N THR A 41 -4.662 -8.188 2.714 1.00 0.00 N ATOM 554 CA THR A 41 -5.951 -7.744 2.195 1.00 0.00 C ATOM 555 C THR A 41 -6.870 -8.932 1.932 1.00 0.00 C ATOM 556 O THR A 41 -6.508 -10.080 2.193 1.00 0.00 O ATOM 557 CB THR A 41 -5.757 -6.939 0.910 1.00 0.00 C ATOM 558 OG1 THR A 41 -4.715 -7.492 0.126 1.00 0.00 O ATOM 559 CG2 THR A 41 -5.422 -5.485 1.159 1.00 0.00 C ATOM 0 H THR A 41 -4.158 -8.828 2.100 1.00 0.00 H new ATOM 0 HA THR A 41 -6.417 -7.107 2.947 1.00 0.00 H new ATOM 0 HB THR A 41 -6.713 -6.990 0.390 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.044 -6.802 -0.059 1.00 0.00 H new ATOM 0 HG21 THR A 41 -5.297 -4.972 0.205 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.230 -5.016 1.720 1.00 0.00 H new ATOM 0 HG23 THR A 41 -4.496 -5.418 1.731 1.00 0.00 H new ATOM 567 N GLN A 42 -8.061 -8.649 1.413 1.00 0.00 N ATOM 568 CA GLN A 42 -9.033 -9.696 1.115 1.00 0.00 C ATOM 569 C GLN A 42 -9.218 -9.851 -0.391 1.00 0.00 C ATOM 570 O GLN A 42 -9.359 -10.965 -0.897 1.00 0.00 O ATOM 571 CB GLN A 42 -10.375 -9.376 1.775 1.00 0.00 C ATOM 572 CG GLN A 42 -10.365 -9.542 3.286 1.00 0.00 C ATOM 573 CD GLN A 42 -10.815 -10.922 3.724 1.00 0.00 C ATOM 574 OE1 GLN A 42 -11.973 -11.124 4.088 1.00 0.00 O ATOM 575 NE2 GLN A 42 -9.896 -11.881 3.691 1.00 0.00 N ATOM 0 H GLN A 42 -8.376 -7.705 1.190 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.654 -10.636 1.516 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -10.654 -8.351 1.532 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -11.142 -10.024 1.352 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.359 -9.356 3.662 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -11.017 -8.792 3.735 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.948 -11.668 3.382 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.139 -12.830 3.975 1.00 0.00 H new ATOM 584 N PHE A 43 -9.220 -8.728 -1.102 1.00 0.00 N ATOM 585 CA PHE A 43 -9.389 -8.742 -2.551 1.00 0.00 C ATOM 586 C PHE A 43 -8.210 -9.430 -3.230 1.00 0.00 C ATOM 587 O PHE A 43 -8.364 -10.050 -4.282 1.00 0.00 O ATOM 588 CB PHE A 43 -9.537 -7.314 -3.082 1.00 0.00 C ATOM 589 CG PHE A 43 -8.311 -6.467 -2.884 1.00 0.00 C ATOM 590 CD1 PHE A 43 -8.121 -5.764 -1.705 1.00 0.00 C ATOM 591 CD2 PHE A 43 -7.350 -6.376 -3.878 1.00 0.00 C ATOM 592 CE1 PHE A 43 -6.995 -4.984 -1.522 1.00 0.00 C ATOM 593 CE2 PHE A 43 -6.223 -5.597 -3.701 1.00 0.00 C ATOM 594 CZ PHE A 43 -6.044 -4.901 -2.521 1.00 0.00 C ATOM 0 H PHE A 43 -9.107 -7.798 -0.699 1.00 0.00 H new ATOM 0 HA PHE A 43 -10.295 -9.303 -2.781 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.773 -7.354 -4.145 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.382 -6.837 -2.586 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -8.861 -5.826 -0.921 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -7.484 -6.920 -4.801 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.858 -4.440 -0.599 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.482 -5.532 -4.484 1.00 0.00 H new ATOM 0 HZ PHE A 43 -5.162 -4.293 -2.380 1.00 0.00 H new ATOM 604 N ALA A 44 -7.033 -9.316 -2.622 1.00 0.00 N ATOM 605 CA ALA A 44 -5.829 -9.929 -3.169 1.00 0.00 C ATOM 606 C ALA A 44 -4.988 -10.567 -2.067 1.00 0.00 C ATOM 607 O ALA A 44 -4.930 -10.060 -0.946 1.00 0.00 O ATOM 608 CB ALA A 44 -5.012 -8.895 -3.929 1.00 0.00 C ATOM 0 H ALA A 44 -6.888 -8.805 -1.751 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.132 -10.717 -3.859 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.115 -9.365 -4.333 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.608 -8.489 -4.746 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.726 -8.089 -3.253 1.00 0.00 H new ATOM 614 N PRO A 45 -4.321 -11.696 -2.370 1.00 0.00 N ATOM 615 CA PRO A 45 -3.482 -12.401 -1.398 1.00 0.00 C ATOM 616 C PRO A 45 -2.162 -11.682 -1.140 1.00 0.00 C ATOM 617 O PRO A 45 -1.982 -10.532 -1.542 1.00 0.00 O ATOM 618 CB PRO A 45 -3.232 -13.752 -2.067 1.00 0.00 C ATOM 619 CG PRO A 45 -3.313 -13.468 -3.526 1.00 0.00 C ATOM 620 CD PRO A 45 -4.333 -12.372 -3.682 1.00 0.00 C ATOM 0 HA PRO A 45 -3.960 -12.473 -0.421 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -2.256 -14.155 -1.795 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -3.977 -14.488 -1.764 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.344 -13.157 -3.917 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.610 -14.358 -4.080 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.066 -11.688 -4.488 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.319 -12.773 -3.917 1.00 0.00 H new ATOM 628 N GLY A 46 -1.242 -12.365 -0.467 1.00 0.00 N ATOM 629 CA GLY A 46 0.049 -11.776 -0.168 1.00 0.00 C ATOM 630 C GLY A 46 -0.054 -10.606 0.791 1.00 0.00 C ATOM 631 O GLY A 46 -1.153 -10.162 1.122 1.00 0.00 O ATOM 0 H GLY A 46 -1.368 -13.317 -0.123 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.701 -12.537 0.261 1.00 0.00 H new ATOM 0 HA3 GLY A 46 0.516 -11.442 -1.095 1.00 0.00 H new ATOM 635 N GLN A 47 1.094 -10.106 1.237 1.00 0.00 N ATOM 636 CA GLN A 47 1.129 -8.981 2.164 1.00 0.00 C ATOM 637 C GLN A 47 0.766 -7.681 1.454 1.00 0.00 C ATOM 638 O GLN A 47 1.290 -7.380 0.382 1.00 0.00 O ATOM 639 CB GLN A 47 2.515 -8.859 2.799 1.00 0.00 C ATOM 640 CG GLN A 47 3.066 -10.179 3.315 1.00 0.00 C ATOM 641 CD GLN A 47 2.113 -10.878 4.264 1.00 0.00 C ATOM 642 OE1 GLN A 47 1.502 -11.889 3.918 1.00 0.00 O ATOM 643 NE2 GLN A 47 1.981 -10.340 5.471 1.00 0.00 N ATOM 0 H GLN A 47 2.012 -10.462 0.971 1.00 0.00 H new ATOM 0 HA GLN A 47 0.394 -9.164 2.947 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.207 -8.448 2.064 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.466 -8.148 3.624 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.278 -10.835 2.471 1.00 0.00 H new ATOM 0 HG3 GLN A 47 4.013 -9.999 3.824 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.507 -9.501 5.716 1.00 0.00 H new ATOM 0 HE22 GLN A 47 1.354 -10.766 6.153 1.00 0.00 H new ATOM 652 N TRP A 48 -0.135 -6.914 2.060 1.00 0.00 N ATOM 653 CA TRP A 48 -0.570 -5.646 1.486 1.00 0.00 C ATOM 654 C TRP A 48 -0.456 -4.519 2.508 1.00 0.00 C ATOM 655 O TRP A 48 -0.424 -4.763 3.715 1.00 0.00 O ATOM 656 CB TRP A 48 -2.013 -5.756 0.990 1.00 0.00 C ATOM 657 CG TRP A 48 -2.123 -6.289 -0.403 1.00 0.00 C ATOM 658 CD1 TRP A 48 -2.015 -7.592 -0.786 1.00 0.00 C ATOM 659 CD2 TRP A 48 -2.361 -5.536 -1.598 1.00 0.00 C ATOM 660 NE1 TRP A 48 -2.171 -7.699 -2.148 1.00 0.00 N ATOM 661 CE2 TRP A 48 -2.386 -6.450 -2.669 1.00 0.00 C ATOM 662 CE3 TRP A 48 -2.558 -4.179 -1.867 1.00 0.00 C ATOM 663 CZ2 TRP A 48 -2.598 -6.049 -3.986 1.00 0.00 C ATOM 664 CZ3 TRP A 48 -2.770 -3.782 -3.174 1.00 0.00 C ATOM 665 CH2 TRP A 48 -2.789 -4.714 -4.218 1.00 0.00 C ATOM 0 H TRP A 48 -0.578 -7.149 2.948 1.00 0.00 H new ATOM 0 HA TRP A 48 0.081 -5.415 0.643 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -2.573 -6.404 1.664 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.480 -4.772 1.033 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -1.833 -8.420 -0.117 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -2.133 -8.567 -2.683 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -2.545 -3.453 -1.068 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -2.611 -6.765 -4.794 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.923 -2.736 -3.393 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.958 -4.372 -5.228 1.00 0.00 H new ATOM 676 N ALA A 49 -0.396 -3.286 2.018 1.00 0.00 N ATOM 677 CA ALA A 49 -0.286 -2.122 2.889 1.00 0.00 C ATOM 678 C ALA A 49 -1.007 -0.919 2.291 1.00 0.00 C ATOM 679 O ALA A 49 -0.524 -0.303 1.342 1.00 0.00 O ATOM 680 CB ALA A 49 1.177 -1.790 3.144 1.00 0.00 C ATOM 0 H ALA A 49 -0.422 -3.067 1.022 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.763 -2.363 3.839 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.244 -0.919 3.796 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.665 -2.639 3.622 1.00 0.00 H new ATOM 0 HB3 ALA A 49 1.671 -1.574 2.197 1.00 0.00 H new ATOM 686 N GLY A 50 -2.165 -0.590 2.854 1.00 0.00 N ATOM 687 CA GLY A 50 -2.934 0.539 2.363 1.00 0.00 C ATOM 688 C GLY A 50 -2.383 1.868 2.840 1.00 0.00 C ATOM 689 O GLY A 50 -1.895 1.978 3.965 1.00 0.00 O ATOM 0 H GLY A 50 -2.585 -1.085 3.641 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -2.942 0.523 1.273 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.969 0.440 2.691 1.00 0.00 H new ATOM 693 N VAL A 51 -2.460 2.880 1.982 1.00 0.00 N ATOM 694 CA VAL A 51 -1.965 4.209 2.321 1.00 0.00 C ATOM 695 C VAL A 51 -2.971 5.285 1.930 1.00 0.00 C ATOM 696 O VAL A 51 -3.598 5.207 0.874 1.00 0.00 O ATOM 697 CB VAL A 51 -0.621 4.502 1.627 1.00 0.00 C ATOM 698 CG1 VAL A 51 -0.013 5.789 2.163 1.00 0.00 C ATOM 699 CG2 VAL A 51 0.339 3.336 1.806 1.00 0.00 C ATOM 0 H VAL A 51 -2.860 2.805 1.047 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.819 4.227 3.401 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.805 4.630 0.560 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.936 5.980 1.661 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -0.695 6.619 1.977 1.00 0.00 H new ATOM 0 HG13 VAL A 51 0.157 5.692 3.235 1.00 0.00 H new ATOM 0 HG21 VAL A 51 1.282 3.562 1.309 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.519 3.173 2.869 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -0.095 2.437 1.369 1.00 0.00 H new ATOM 709 N VAL A 52 -3.120 6.289 2.788 1.00 0.00 N ATOM 710 CA VAL A 52 -4.051 7.381 2.531 1.00 0.00 C ATOM 711 C VAL A 52 -3.327 8.598 1.965 1.00 0.00 C ATOM 712 O VAL A 52 -2.508 9.217 2.644 1.00 0.00 O ATOM 713 CB VAL A 52 -4.801 7.794 3.811 1.00 0.00 C ATOM 714 CG1 VAL A 52 -5.903 8.791 3.487 1.00 0.00 C ATOM 715 CG2 VAL A 52 -5.367 6.571 4.517 1.00 0.00 C ATOM 0 H VAL A 52 -2.608 6.369 3.667 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.772 7.016 1.799 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.093 8.278 4.484 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.422 9.071 4.404 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.467 9.680 3.031 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.611 8.338 2.794 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.893 6.883 5.419 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.060 6.055 3.852 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.554 5.897 4.786 1.00 0.00 H new ATOM 725 N LEU A 53 -3.634 8.936 0.717 1.00 0.00 N ATOM 726 CA LEU A 53 -3.012 10.079 0.059 1.00 0.00 C ATOM 727 C LEU A 53 -3.569 11.390 0.604 1.00 0.00 C ATOM 728 O LEU A 53 -4.736 11.469 0.984 1.00 0.00 O ATOM 729 CB LEU A 53 -3.234 10.005 -1.453 1.00 0.00 C ATOM 730 CG LEU A 53 -2.583 8.807 -2.146 1.00 0.00 C ATOM 731 CD1 LEU A 53 -3.274 8.514 -3.468 1.00 0.00 C ATOM 732 CD2 LEU A 53 -1.098 9.061 -2.364 1.00 0.00 C ATOM 0 H LEU A 53 -4.310 8.434 0.141 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.942 10.048 0.264 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.306 9.978 -1.646 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.851 10.919 -1.906 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.693 7.935 -1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.797 7.659 -3.946 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.325 8.289 -3.287 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.196 9.384 -4.120 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.650 8.199 -2.858 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.968 9.945 -2.988 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.611 9.221 -1.402 1.00 0.00 H new ATOM 744 N ASP A 54 -2.724 12.416 0.637 1.00 0.00 N ATOM 745 CA ASP A 54 -3.132 13.724 1.136 1.00 0.00 C ATOM 746 C ASP A 54 -4.153 14.368 0.203 1.00 0.00 C ATOM 747 O ASP A 54 -5.076 15.048 0.652 1.00 0.00 O ATOM 748 CB ASP A 54 -1.913 14.637 1.286 1.00 0.00 C ATOM 749 CG ASP A 54 -1.955 15.452 2.564 1.00 0.00 C ATOM 750 OD1 ASP A 54 -2.187 14.859 3.638 1.00 0.00 O ATOM 751 OD2 ASP A 54 -1.756 16.683 2.491 1.00 0.00 O ATOM 0 H ASP A 54 -1.754 12.367 0.325 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.596 13.585 2.112 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.006 14.033 1.273 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.859 15.310 0.431 1.00 0.00 H new ATOM 756 N ASP A 55 -3.981 14.148 -1.096 1.00 0.00 N ATOM 757 CA ASP A 55 -4.887 14.707 -2.092 1.00 0.00 C ATOM 758 C ASP A 55 -5.780 13.619 -2.687 1.00 0.00 C ATOM 759 O ASP A 55 -5.391 12.454 -2.754 1.00 0.00 O ATOM 760 CB ASP A 55 -4.095 15.397 -3.204 1.00 0.00 C ATOM 761 CG ASP A 55 -3.274 16.564 -2.691 1.00 0.00 C ATOM 762 OD1 ASP A 55 -2.383 16.337 -1.846 1.00 0.00 O ATOM 763 OD2 ASP A 55 -3.522 17.704 -3.134 1.00 0.00 O ATOM 0 H ASP A 55 -3.223 13.587 -1.483 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.521 15.443 -1.597 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -3.434 14.672 -3.679 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.784 15.750 -3.971 1.00 0.00 H new ATOM 768 N PRO A 56 -6.993 13.989 -3.129 1.00 0.00 N ATOM 769 CA PRO A 56 -7.941 13.039 -3.721 1.00 0.00 C ATOM 770 C PRO A 56 -7.487 12.549 -5.093 1.00 0.00 C ATOM 771 O PRO A 56 -8.050 12.933 -6.119 1.00 0.00 O ATOM 772 CB PRO A 56 -9.232 13.853 -3.842 1.00 0.00 C ATOM 773 CG PRO A 56 -8.780 15.269 -3.930 1.00 0.00 C ATOM 774 CD PRO A 56 -7.538 15.360 -3.088 1.00 0.00 C ATOM 0 HA PRO A 56 -8.047 12.137 -3.117 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.801 13.564 -4.725 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.880 13.697 -2.980 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -8.573 15.549 -4.963 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -9.550 15.948 -3.564 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.831 16.085 -3.492 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.766 15.671 -2.069 1.00 0.00 H new ATOM 782 N VAL A 57 -6.467 11.698 -5.102 1.00 0.00 N ATOM 783 CA VAL A 57 -5.937 11.155 -6.347 1.00 0.00 C ATOM 784 C VAL A 57 -5.531 9.695 -6.180 1.00 0.00 C ATOM 785 O VAL A 57 -4.608 9.218 -6.838 1.00 0.00 O ATOM 786 CB VAL A 57 -4.721 11.960 -6.840 1.00 0.00 C ATOM 787 CG1 VAL A 57 -5.153 13.332 -7.335 1.00 0.00 C ATOM 788 CG2 VAL A 57 -3.682 12.087 -5.736 1.00 0.00 C ATOM 0 H VAL A 57 -5.991 11.370 -4.262 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.734 11.227 -7.087 1.00 0.00 H new ATOM 0 HB VAL A 57 -4.268 11.424 -7.674 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.280 13.886 -7.679 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.857 13.216 -8.159 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -5.632 13.878 -6.522 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.830 12.659 -6.103 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.121 12.599 -4.880 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.349 11.094 -5.433 1.00 0.00 H new ATOM 798 N GLY A 58 -6.227 8.990 -5.294 1.00 0.00 N ATOM 799 CA GLY A 58 -5.925 7.591 -5.057 1.00 0.00 C ATOM 800 C GLY A 58 -6.728 6.665 -5.949 1.00 0.00 C ATOM 801 O GLY A 58 -6.886 6.923 -7.142 1.00 0.00 O ATOM 0 H GLY A 58 -6.995 9.363 -4.736 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.862 7.419 -5.223 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.127 7.351 -4.013 1.00 0.00 H new ATOM 805 N LYS A 59 -7.236 5.581 -5.369 1.00 0.00 N ATOM 806 CA LYS A 59 -8.027 4.613 -6.119 1.00 0.00 C ATOM 807 C LYS A 59 -9.302 4.252 -5.366 1.00 0.00 C ATOM 808 O LYS A 59 -10.395 4.684 -5.731 1.00 0.00 O ATOM 809 CB LYS A 59 -7.205 3.351 -6.389 1.00 0.00 C ATOM 810 CG LYS A 59 -6.389 3.420 -7.669 1.00 0.00 C ATOM 811 CD LYS A 59 -6.369 2.080 -8.393 1.00 0.00 C ATOM 812 CE LYS A 59 -7.117 2.147 -9.714 1.00 0.00 C ATOM 813 NZ LYS A 59 -7.315 0.796 -10.310 1.00 0.00 N ATOM 0 H LYS A 59 -7.113 5.352 -4.383 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.305 5.067 -7.070 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -6.533 3.178 -5.548 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.877 2.494 -6.442 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.806 4.183 -8.326 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.369 3.723 -7.435 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.337 1.779 -8.573 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.818 1.316 -7.758 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.086 2.621 -9.559 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.564 2.775 -10.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.829 0.885 -11.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -6.390 0.354 -10.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.865 0.205 -9.655 1.00 0.00 H new ATOM 827 N ASN A 60 -9.154 3.457 -4.310 1.00 0.00 N ATOM 828 CA ASN A 60 -10.294 3.037 -3.504 1.00 0.00 C ATOM 829 C ASN A 60 -10.613 4.073 -2.431 1.00 0.00 C ATOM 830 O ASN A 60 -9.996 5.137 -2.378 1.00 0.00 O ATOM 831 CB ASN A 60 -10.014 1.682 -2.854 1.00 0.00 C ATOM 832 CG ASN A 60 -9.725 0.598 -3.876 1.00 0.00 C ATOM 833 OD1 ASN A 60 -10.637 -0.071 -4.362 1.00 0.00 O ATOM 834 ND2 ASN A 60 -8.451 0.421 -4.207 1.00 0.00 N ATOM 0 H ASN A 60 -8.256 3.091 -3.993 1.00 0.00 H new ATOM 0 HA ASN A 60 -11.158 2.945 -4.162 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.164 1.775 -2.178 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -10.872 1.388 -2.249 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -8.196 -0.293 -4.890 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -7.728 0.999 -3.779 1.00 0.00 H new ATOM 841 N ASP A 61 -11.580 3.754 -1.577 1.00 0.00 N ATOM 842 CA ASP A 61 -11.981 4.658 -0.504 1.00 0.00 C ATOM 843 C ASP A 61 -11.943 3.950 0.846 1.00 0.00 C ATOM 844 O ASP A 61 -12.719 4.267 1.747 1.00 0.00 O ATOM 845 CB ASP A 61 -13.387 5.202 -0.767 1.00 0.00 C ATOM 846 CG ASP A 61 -14.417 4.100 -0.908 1.00 0.00 C ATOM 847 OD1 ASP A 61 -14.484 3.483 -1.992 1.00 0.00 O ATOM 848 OD2 ASP A 61 -15.160 3.853 0.066 1.00 0.00 O ATOM 0 H ASP A 61 -12.100 2.877 -1.607 1.00 0.00 H new ATOM 0 HA ASP A 61 -11.275 5.488 -0.479 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.676 5.863 0.050 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -13.376 5.804 -1.676 1.00 0.00 H new ATOM 853 N GLY A 62 -11.033 2.990 0.980 1.00 0.00 N ATOM 854 CA GLY A 62 -10.911 2.254 2.224 1.00 0.00 C ATOM 855 C GLY A 62 -11.484 0.854 2.129 1.00 0.00 C ATOM 856 O GLY A 62 -10.993 -0.070 2.779 1.00 0.00 O ATOM 0 H GLY A 62 -10.379 2.709 0.250 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.860 2.194 2.505 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.423 2.800 3.017 1.00 0.00 H new ATOM 860 N ALA A 63 -12.524 0.696 1.317 1.00 0.00 N ATOM 861 CA ALA A 63 -13.164 -0.602 1.140 1.00 0.00 C ATOM 862 C ALA A 63 -13.052 -1.077 -0.305 1.00 0.00 C ATOM 863 O ALA A 63 -13.259 -0.304 -1.241 1.00 0.00 O ATOM 864 CB ALA A 63 -14.624 -0.531 1.561 1.00 0.00 C ATOM 0 H ALA A 63 -12.941 1.450 0.772 1.00 0.00 H new ATOM 0 HA ALA A 63 -12.648 -1.323 1.774 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -15.090 -1.507 1.424 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -14.686 -0.243 2.611 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -15.143 0.208 0.951 1.00 0.00 H new ATOM 870 N VAL A 64 -12.724 -2.354 -0.479 1.00 0.00 N ATOM 871 CA VAL A 64 -12.585 -2.933 -1.810 1.00 0.00 C ATOM 872 C VAL A 64 -13.432 -4.192 -1.952 1.00 0.00 C ATOM 873 O VAL A 64 -13.485 -5.021 -1.044 1.00 0.00 O ATOM 874 CB VAL A 64 -11.115 -3.278 -2.123 1.00 0.00 C ATOM 875 CG1 VAL A 64 -10.966 -3.721 -3.570 1.00 0.00 C ATOM 876 CG2 VAL A 64 -10.210 -2.090 -1.825 1.00 0.00 C ATOM 0 H VAL A 64 -12.550 -3.007 0.285 1.00 0.00 H new ATOM 0 HA VAL A 64 -12.933 -2.182 -2.519 1.00 0.00 H new ATOM 0 HB VAL A 64 -10.812 -4.105 -1.481 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -9.922 -3.960 -3.772 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.581 -4.604 -3.745 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.288 -2.917 -4.232 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -9.177 -2.353 -2.052 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -10.511 -1.240 -2.438 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -10.293 -1.825 -0.771 1.00 0.00 H new ATOM 886 N GLY A 65 -14.094 -4.329 -3.096 1.00 0.00 N ATOM 887 CA GLY A 65 -14.930 -5.490 -3.335 1.00 0.00 C ATOM 888 C GLY A 65 -16.090 -5.579 -2.363 1.00 0.00 C ATOM 889 O GLY A 65 -17.155 -5.011 -2.604 1.00 0.00 O ATOM 0 H GLY A 65 -14.066 -3.656 -3.862 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.316 -5.453 -4.354 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.324 -6.393 -3.256 1.00 0.00 H new ATOM 893 N GLY A 66 -15.883 -6.295 -1.262 1.00 0.00 N ATOM 894 CA GLY A 66 -16.929 -6.443 -0.268 1.00 0.00 C ATOM 895 C GLY A 66 -16.384 -6.477 1.146 1.00 0.00 C ATOM 896 O GLY A 66 -16.978 -7.091 2.033 1.00 0.00 O ATOM 0 H GLY A 66 -15.010 -6.775 -1.041 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.635 -5.618 -0.362 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -17.484 -7.361 -0.463 1.00 0.00 H new ATOM 900 N VAL A 67 -15.250 -5.816 1.358 1.00 0.00 N ATOM 901 CA VAL A 67 -14.625 -5.773 2.674 1.00 0.00 C ATOM 902 C VAL A 67 -13.988 -4.412 2.935 1.00 0.00 C ATOM 903 O VAL A 67 -13.358 -3.831 2.052 1.00 0.00 O ATOM 904 CB VAL A 67 -13.550 -6.866 2.822 1.00 0.00 C ATOM 905 CG1 VAL A 67 -13.052 -6.936 4.257 1.00 0.00 C ATOM 906 CG2 VAL A 67 -14.094 -8.214 2.373 1.00 0.00 C ATOM 0 H VAL A 67 -14.746 -5.303 0.635 1.00 0.00 H new ATOM 0 HA VAL A 67 -15.414 -5.949 3.405 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.706 -6.608 2.182 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.293 -7.714 4.341 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -12.620 -5.976 4.540 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -13.885 -7.168 4.920 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -13.321 -8.974 2.485 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -14.956 -8.481 2.985 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -14.396 -8.155 1.327 1.00 0.00 H new ATOM 916 N ARG A 68 -14.157 -3.911 4.154 1.00 0.00 N ATOM 917 CA ARG A 68 -13.598 -2.617 4.532 1.00 0.00 C ATOM 918 C ARG A 68 -12.323 -2.794 5.349 1.00 0.00 C ATOM 919 O ARG A 68 -12.197 -3.740 6.126 1.00 0.00 O ATOM 920 CB ARG A 68 -14.623 -1.810 5.330 1.00 0.00 C ATOM 921 CG ARG A 68 -14.145 -0.413 5.694 1.00 0.00 C ATOM 922 CD ARG A 68 -14.891 0.133 6.902 1.00 0.00 C ATOM 923 NE ARG A 68 -16.331 0.206 6.668 1.00 0.00 N ATOM 924 CZ ARG A 68 -17.235 0.305 7.640 1.00 0.00 C ATOM 925 NH1 ARG A 68 -16.853 0.342 8.911 1.00 0.00 N ATOM 926 NH2 ARG A 68 -18.525 0.367 7.340 1.00 0.00 N ATOM 0 H ARG A 68 -14.676 -4.380 4.897 1.00 0.00 H new ATOM 0 HA ARG A 68 -13.350 -2.074 3.620 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -15.543 -1.731 4.750 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -14.868 -2.351 6.244 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -13.076 -0.436 5.905 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -14.288 0.255 4.844 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -14.696 -0.502 7.766 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -14.512 1.126 7.144 1.00 0.00 H new ATOM 0 HE ARG A 68 -16.663 0.180 5.704 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -15.862 0.295 9.147 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -17.551 0.418 9.651 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -18.824 0.339 6.365 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -19.219 0.443 8.084 1.00 0.00 H new ATOM 940 N TYR A 69 -11.379 -1.875 5.170 1.00 0.00 N ATOM 941 CA TYR A 69 -10.113 -1.929 5.892 1.00 0.00 C ATOM 942 C TYR A 69 -9.931 -0.691 6.763 1.00 0.00 C ATOM 943 O TYR A 69 -9.868 -0.785 7.989 1.00 0.00 O ATOM 944 CB TYR A 69 -8.947 -2.051 4.909 1.00 0.00 C ATOM 945 CG TYR A 69 -9.074 -3.222 3.960 1.00 0.00 C ATOM 946 CD1 TYR A 69 -9.719 -3.083 2.738 1.00 0.00 C ATOM 947 CD2 TYR A 69 -8.547 -4.466 4.287 1.00 0.00 C ATOM 948 CE1 TYR A 69 -9.837 -4.151 1.869 1.00 0.00 C ATOM 949 CE2 TYR A 69 -8.661 -5.538 3.422 1.00 0.00 C ATOM 950 CZ TYR A 69 -9.306 -5.375 2.216 1.00 0.00 C ATOM 951 OH TYR A 69 -9.422 -6.441 1.352 1.00 0.00 O ATOM 0 H TYR A 69 -11.467 -1.084 4.531 1.00 0.00 H new ATOM 0 HA TYR A 69 -10.128 -2.807 6.538 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -8.874 -1.131 4.329 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -8.018 -2.149 5.471 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -10.135 -2.125 2.462 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -8.040 -4.597 5.232 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -10.343 -4.027 0.923 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -8.246 -6.498 3.690 1.00 0.00 H new ATOM 0 HH TYR A 69 -10.097 -6.238 0.671 1.00 0.00 H new ATOM 961 N PHE A 70 -9.846 0.471 6.122 1.00 0.00 N ATOM 962 CA PHE A 70 -9.671 1.728 6.839 1.00 0.00 C ATOM 963 C PHE A 70 -10.698 2.761 6.386 1.00 0.00 C ATOM 964 O PHE A 70 -10.951 2.917 5.192 1.00 0.00 O ATOM 965 CB PHE A 70 -8.257 2.271 6.621 1.00 0.00 C ATOM 966 CG PHE A 70 -7.864 2.359 5.174 1.00 0.00 C ATOM 967 CD1 PHE A 70 -8.170 3.486 4.427 1.00 0.00 C ATOM 968 CD2 PHE A 70 -7.190 1.315 4.560 1.00 0.00 C ATOM 969 CE1 PHE A 70 -7.809 3.571 3.095 1.00 0.00 C ATOM 970 CE2 PHE A 70 -6.827 1.395 3.228 1.00 0.00 C ATOM 971 CZ PHE A 70 -7.138 2.524 2.495 1.00 0.00 C ATOM 0 H PHE A 70 -9.896 0.567 5.108 1.00 0.00 H new ATOM 0 HA PHE A 70 -9.820 1.534 7.901 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.184 3.262 7.070 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.546 1.631 7.144 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -8.696 4.307 4.891 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -6.946 0.429 5.128 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -8.052 4.455 2.525 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -6.301 0.576 2.761 1.00 0.00 H new ATOM 0 HZ PHE A 70 -6.857 2.588 1.454 1.00 0.00 H new ATOM 981 N GLU A 71 -11.288 3.463 7.349 1.00 0.00 N ATOM 982 CA GLU A 71 -12.288 4.480 7.049 1.00 0.00 C ATOM 983 C GLU A 71 -11.625 5.805 6.686 1.00 0.00 C ATOM 984 O GLU A 71 -11.274 6.596 7.562 1.00 0.00 O ATOM 985 CB GLU A 71 -13.222 4.675 8.245 1.00 0.00 C ATOM 986 CG GLU A 71 -14.163 3.504 8.479 1.00 0.00 C ATOM 987 CD GLU A 71 -15.383 3.549 7.581 1.00 0.00 C ATOM 988 OE1 GLU A 71 -15.211 3.690 6.351 1.00 0.00 O ATOM 989 OE2 GLU A 71 -16.511 3.442 8.105 1.00 0.00 O ATOM 0 H GLU A 71 -11.090 3.346 8.343 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.871 4.139 6.193 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.623 4.834 9.141 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -13.811 5.579 8.092 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -13.626 2.571 8.309 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -14.483 3.502 9.521 1.00 0.00 H new ATOM 996 N CYS A 72 -11.457 6.043 5.389 1.00 0.00 N ATOM 997 CA CYS A 72 -10.836 7.272 4.911 1.00 0.00 C ATOM 998 C CYS A 72 -11.611 7.850 3.730 1.00 0.00 C ATOM 999 O CYS A 72 -12.399 7.151 3.092 1.00 0.00 O ATOM 1000 CB CYS A 72 -9.385 7.011 4.505 1.00 0.00 C ATOM 1001 SG CYS A 72 -8.263 6.756 5.899 1.00 0.00 S ATOM 0 H CYS A 72 -11.743 5.400 4.650 1.00 0.00 H new ATOM 0 HA CYS A 72 -10.853 7.998 5.724 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -9.352 6.133 3.860 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -9.027 7.854 3.914 1.00 0.00 H new ATOM 0 HG CYS A 72 -8.953 6.611 6.991 1.00 0.00 H new ATOM 1007 N PRO A 73 -11.396 9.140 3.420 1.00 0.00 N ATOM 1008 CA PRO A 73 -12.079 9.810 2.308 1.00 0.00 C ATOM 1009 C PRO A 73 -11.916 9.057 0.992 1.00 0.00 C ATOM 1010 O PRO A 73 -10.987 8.267 0.829 1.00 0.00 O ATOM 1011 CB PRO A 73 -11.387 11.174 2.233 1.00 0.00 C ATOM 1012 CG PRO A 73 -10.845 11.403 3.600 1.00 0.00 C ATOM 1013 CD PRO A 73 -10.472 10.046 4.128 1.00 0.00 C ATOM 0 HA PRO A 73 -13.155 9.873 2.470 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.592 11.173 1.488 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -12.089 11.958 1.950 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.978 12.063 3.571 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -11.587 11.880 4.240 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -9.431 9.804 3.916 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -10.599 9.986 5.209 1.00 0.00 H new ATOM 1021 N ALA A 74 -12.827 9.307 0.057 1.00 0.00 N ATOM 1022 CA ALA A 74 -12.784 8.653 -1.245 1.00 0.00 C ATOM 1023 C ALA A 74 -11.637 9.192 -2.093 1.00 0.00 C ATOM 1024 O ALA A 74 -11.160 10.306 -1.874 1.00 0.00 O ATOM 1025 CB ALA A 74 -14.109 8.834 -1.970 1.00 0.00 C ATOM 0 H ALA A 74 -13.603 9.958 0.177 1.00 0.00 H new ATOM 0 HA ALA A 74 -12.613 7.589 -1.084 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -14.063 8.341 -2.941 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -14.911 8.394 -1.377 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -14.304 9.897 -2.112 1.00 0.00 H new ATOM 1031 N LEU A 75 -11.198 8.395 -3.062 1.00 0.00 N ATOM 1032 CA LEU A 75 -10.107 8.792 -3.943 1.00 0.00 C ATOM 1033 C LEU A 75 -8.832 9.057 -3.149 1.00 0.00 C ATOM 1034 O LEU A 75 -7.992 9.861 -3.554 1.00 0.00 O ATOM 1035 CB LEU A 75 -10.495 10.041 -4.736 1.00 0.00 C ATOM 1036 CG LEU A 75 -11.371 9.784 -5.964 1.00 0.00 C ATOM 1037 CD1 LEU A 75 -11.849 11.096 -6.564 1.00 0.00 C ATOM 1038 CD2 LEU A 75 -10.611 8.968 -6.998 1.00 0.00 C ATOM 0 H LEU A 75 -11.582 7.470 -3.257 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.917 7.972 -4.636 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -11.021 10.726 -4.071 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.584 10.546 -5.058 1.00 0.00 H new ATOM 0 HG LEU A 75 -12.245 9.213 -5.650 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -12.470 10.892 -7.436 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -12.432 11.644 -5.823 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -10.988 11.694 -6.863 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.249 8.794 -7.865 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.719 9.513 -7.307 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.320 8.011 -6.564 1.00 0.00 H new ATOM 1050 N GLN A 76 -8.693 8.375 -2.017 1.00 0.00 N ATOM 1051 CA GLN A 76 -7.520 8.537 -1.166 1.00 0.00 C ATOM 1052 C GLN A 76 -6.987 7.184 -0.711 1.00 0.00 C ATOM 1053 O GLN A 76 -5.779 6.943 -0.724 1.00 0.00 O ATOM 1054 CB GLN A 76 -7.861 9.399 0.051 1.00 0.00 C ATOM 1055 CG GLN A 76 -7.724 10.891 -0.203 1.00 0.00 C ATOM 1056 CD GLN A 76 -8.190 11.728 0.972 1.00 0.00 C ATOM 1057 OE1 GLN A 76 -8.946 12.685 0.808 1.00 0.00 O ATOM 1058 NE2 GLN A 76 -7.736 11.370 2.168 1.00 0.00 N ATOM 0 H GLN A 76 -9.378 7.705 -1.668 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.746 9.035 -1.750 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -8.883 9.184 0.363 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.210 9.118 0.879 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -6.682 11.125 -0.420 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.302 11.160 -1.087 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -7.111 10.569 2.257 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -8.013 11.896 2.997 1.00 0.00 H new ATOM 1067 N GLY A 77 -7.896 6.306 -0.310 1.00 0.00 N ATOM 1068 CA GLY A 77 -7.504 4.984 0.145 1.00 0.00 C ATOM 1069 C GLY A 77 -6.929 4.132 -0.970 1.00 0.00 C ATOM 1070 O GLY A 77 -7.650 3.365 -1.607 1.00 0.00 O ATOM 0 H GLY A 77 -8.900 6.485 -0.291 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.766 5.082 0.941 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.370 4.479 0.574 1.00 0.00 H new ATOM 1074 N ILE A 78 -5.629 4.268 -1.205 1.00 0.00 N ATOM 1075 CA ILE A 78 -4.958 3.506 -2.249 1.00 0.00 C ATOM 1076 C ILE A 78 -4.218 2.306 -1.663 1.00 0.00 C ATOM 1077 O ILE A 78 -3.492 2.434 -0.677 1.00 0.00 O ATOM 1078 CB ILE A 78 -3.961 4.383 -3.035 1.00 0.00 C ATOM 1079 CG1 ILE A 78 -3.344 3.591 -4.190 1.00 0.00 C ATOM 1080 CG2 ILE A 78 -2.876 4.915 -2.111 1.00 0.00 C ATOM 1081 CD1 ILE A 78 -3.159 4.406 -5.451 1.00 0.00 C ATOM 0 H ILE A 78 -5.019 4.900 -0.686 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.731 3.153 -2.931 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.503 5.232 -3.452 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.377 3.199 -3.875 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.979 2.733 -4.411 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.182 5.531 -2.682 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -3.331 5.516 -1.323 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -2.337 4.080 -1.664 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.717 3.781 -6.227 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.126 4.776 -5.790 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -2.500 5.249 -5.246 1.00 0.00 H new ATOM 1093 N PHE A 79 -4.409 1.143 -2.275 1.00 0.00 N ATOM 1094 CA PHE A 79 -3.761 -0.079 -1.812 1.00 0.00 C ATOM 1095 C PHE A 79 -2.529 -0.394 -2.655 1.00 0.00 C ATOM 1096 O PHE A 79 -2.541 -0.235 -3.876 1.00 0.00 O ATOM 1097 CB PHE A 79 -4.741 -1.252 -1.863 1.00 0.00 C ATOM 1098 CG PHE A 79 -5.816 -1.181 -0.816 1.00 0.00 C ATOM 1099 CD1 PHE A 79 -6.911 -0.348 -0.984 1.00 0.00 C ATOM 1100 CD2 PHE A 79 -5.731 -1.947 0.336 1.00 0.00 C ATOM 1101 CE1 PHE A 79 -7.901 -0.281 -0.022 1.00 0.00 C ATOM 1102 CE2 PHE A 79 -6.718 -1.883 1.301 1.00 0.00 C ATOM 1103 CZ PHE A 79 -7.805 -1.049 1.121 1.00 0.00 C ATOM 0 H PHE A 79 -5.007 1.020 -3.092 1.00 0.00 H new ATOM 0 HA PHE A 79 -3.444 0.076 -0.781 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -5.206 -1.284 -2.848 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.187 -2.183 -1.741 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -6.991 0.255 -1.876 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -4.884 -2.601 0.481 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.749 0.372 -0.164 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -6.640 -2.484 2.195 1.00 0.00 H new ATOM 0 HZ PHE A 79 -8.578 -0.998 1.873 1.00 0.00 H new ATOM 1113 N THR A 80 -1.467 -0.844 -1.995 1.00 0.00 N ATOM 1114 CA THR A 80 -0.226 -1.183 -2.681 1.00 0.00 C ATOM 1115 C THR A 80 0.633 -2.106 -1.824 1.00 0.00 C ATOM 1116 O THR A 80 0.289 -2.408 -0.682 1.00 0.00 O ATOM 1117 CB THR A 80 0.554 0.087 -3.026 1.00 0.00 C ATOM 1118 OG1 THR A 80 1.815 -0.235 -3.585 1.00 0.00 O ATOM 1119 CG2 THR A 80 0.797 0.983 -1.830 1.00 0.00 C ATOM 0 H THR A 80 -1.441 -0.982 -0.985 1.00 0.00 H new ATOM 0 HA THR A 80 -0.480 -1.706 -3.603 1.00 0.00 H new ATOM 0 HB THR A 80 -0.069 0.624 -3.741 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.230 0.576 -3.946 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.355 1.865 -2.144 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.159 1.290 -1.405 1.00 0.00 H new ATOM 0 HG23 THR A 80 1.370 0.440 -1.079 1.00 0.00 H new ATOM 1127 N ARG A 81 1.754 -2.551 -2.383 1.00 0.00 N ATOM 1128 CA ARG A 81 2.663 -3.439 -1.668 1.00 0.00 C ATOM 1129 C ARG A 81 3.625 -2.643 -0.790 1.00 0.00 C ATOM 1130 O ARG A 81 4.012 -1.527 -1.135 1.00 0.00 O ATOM 1131 CB ARG A 81 3.451 -4.301 -2.657 1.00 0.00 C ATOM 1132 CG ARG A 81 2.569 -5.150 -3.559 1.00 0.00 C ATOM 1133 CD ARG A 81 3.382 -6.186 -4.317 1.00 0.00 C ATOM 1134 NE ARG A 81 3.689 -5.753 -5.678 1.00 0.00 N ATOM 1135 CZ ARG A 81 4.575 -6.358 -6.466 1.00 0.00 C ATOM 1136 NH1 ARG A 81 5.242 -7.421 -6.034 1.00 0.00 N ATOM 1137 NH2 ARG A 81 4.795 -5.899 -7.691 1.00 0.00 N ATOM 0 H ARG A 81 2.054 -2.311 -3.328 1.00 0.00 H new ATOM 0 HA ARG A 81 2.067 -4.087 -1.026 1.00 0.00 H new ATOM 0 HB2 ARG A 81 4.073 -3.654 -3.275 1.00 0.00 H new ATOM 0 HB3 ARG A 81 4.124 -4.954 -2.101 1.00 0.00 H new ATOM 0 HG2 ARG A 81 1.808 -5.650 -2.960 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.045 -4.508 -4.267 1.00 0.00 H new ATOM 0 HD2 ARG A 81 4.311 -6.381 -3.781 1.00 0.00 H new ATOM 0 HD3 ARG A 81 2.830 -7.125 -4.351 1.00 0.00 H new ATOM 0 HE ARG A 81 3.196 -4.940 -6.046 1.00 0.00 H new ATOM 0 HH11 ARG A 81 5.077 -7.779 -5.093 1.00 0.00 H new ATOM 0 HH12 ARG A 81 5.920 -7.880 -6.643 1.00 0.00 H new ATOM 0 HH21 ARG A 81 4.285 -5.083 -8.029 1.00 0.00 H new ATOM 0 HH22 ARG A 81 5.474 -6.362 -8.295 1.00 0.00 H new ATOM 1151 N PRO A 82 4.026 -3.209 0.362 1.00 0.00 N ATOM 1152 CA PRO A 82 4.946 -2.543 1.289 1.00 0.00 C ATOM 1153 C PRO A 82 6.220 -2.069 0.598 1.00 0.00 C ATOM 1154 O PRO A 82 6.686 -0.953 0.830 1.00 0.00 O ATOM 1155 CB PRO A 82 5.270 -3.631 2.316 1.00 0.00 C ATOM 1156 CG PRO A 82 4.100 -4.552 2.273 1.00 0.00 C ATOM 1157 CD PRO A 82 3.613 -4.537 0.851 1.00 0.00 C ATOM 0 HA PRO A 82 4.505 -1.646 1.724 1.00 0.00 H new ATOM 0 HB2 PRO A 82 6.193 -4.152 2.063 1.00 0.00 H new ATOM 0 HB3 PRO A 82 5.405 -3.208 3.312 1.00 0.00 H new ATOM 0 HG2 PRO A 82 4.385 -5.559 2.577 1.00 0.00 H new ATOM 0 HG3 PRO A 82 3.318 -4.222 2.957 1.00 0.00 H new ATOM 0 HD2 PRO A 82 4.062 -5.339 0.264 1.00 0.00 H new ATOM 0 HD3 PRO A 82 2.532 -4.667 0.795 1.00 0.00 H new ATOM 1165 N SER A 83 6.780 -2.924 -0.251 1.00 0.00 N ATOM 1166 CA SER A 83 8.002 -2.594 -0.976 1.00 0.00 C ATOM 1167 C SER A 83 7.800 -1.361 -1.852 1.00 0.00 C ATOM 1168 O SER A 83 8.719 -0.563 -2.039 1.00 0.00 O ATOM 1169 CB SER A 83 8.446 -3.778 -1.836 1.00 0.00 C ATOM 1170 OG SER A 83 9.625 -3.471 -2.559 1.00 0.00 O ATOM 0 H SER A 83 6.407 -3.851 -0.454 1.00 0.00 H new ATOM 0 HA SER A 83 8.780 -2.374 -0.245 1.00 0.00 H new ATOM 0 HB2 SER A 83 8.621 -4.647 -1.201 1.00 0.00 H new ATOM 0 HB3 SER A 83 7.650 -4.046 -2.530 1.00 0.00 H new ATOM 0 HG SER A 83 9.888 -4.245 -3.099 1.00 0.00 H new ATOM 1176 N LYS A 84 6.593 -1.214 -2.388 1.00 0.00 N ATOM 1177 CA LYS A 84 6.273 -0.079 -3.247 1.00 0.00 C ATOM 1178 C LYS A 84 6.400 1.236 -2.484 1.00 0.00 C ATOM 1179 O LYS A 84 6.723 2.272 -3.065 1.00 0.00 O ATOM 1180 CB LYS A 84 4.857 -0.221 -3.808 1.00 0.00 C ATOM 1181 CG LYS A 84 4.668 -1.455 -4.676 1.00 0.00 C ATOM 1182 CD LYS A 84 5.227 -1.244 -6.074 1.00 0.00 C ATOM 1183 CE LYS A 84 4.395 -1.962 -7.122 1.00 0.00 C ATOM 1184 NZ LYS A 84 4.907 -1.724 -8.500 1.00 0.00 N ATOM 0 H LYS A 84 5.821 -1.865 -2.243 1.00 0.00 H new ATOM 0 HA LYS A 84 6.985 -0.069 -4.072 1.00 0.00 H new ATOM 0 HB2 LYS A 84 4.149 -0.257 -2.980 1.00 0.00 H new ATOM 0 HB3 LYS A 84 4.617 0.666 -4.394 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.162 -2.308 -4.210 1.00 0.00 H new ATOM 0 HG3 LYS A 84 3.607 -1.697 -4.740 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.255 -0.178 -6.298 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.255 -1.605 -6.114 1.00 0.00 H new ATOM 0 HE2 LYS A 84 4.396 -3.032 -6.915 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.360 -1.625 -7.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 4.129 -1.830 -9.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 5.296 -0.762 -8.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 5.654 -2.414 -8.717 1.00 0.00 H new ATOM 1198 N LEU A 85 6.146 1.188 -1.180 1.00 0.00 N ATOM 1199 CA LEU A 85 6.235 2.377 -0.341 1.00 0.00 C ATOM 1200 C LEU A 85 7.686 2.682 0.018 1.00 0.00 C ATOM 1201 O LEU A 85 8.455 1.782 0.354 1.00 0.00 O ATOM 1202 CB LEU A 85 5.411 2.191 0.935 1.00 0.00 C ATOM 1203 CG LEU A 85 4.024 1.580 0.728 1.00 0.00 C ATOM 1204 CD1 LEU A 85 3.438 1.124 2.055 1.00 0.00 C ATOM 1205 CD2 LEU A 85 3.098 2.580 0.050 1.00 0.00 C ATOM 0 H LEU A 85 5.877 0.339 -0.682 1.00 0.00 H new ATOM 0 HA LEU A 85 5.833 3.219 -0.905 1.00 0.00 H new ATOM 0 HB2 LEU A 85 5.972 1.557 1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.295 3.161 1.419 1.00 0.00 H new ATOM 0 HG LEU A 85 4.124 0.709 0.080 1.00 0.00 H new ATOM 0 HD11 LEU A 85 2.451 0.692 1.888 1.00 0.00 H new ATOM 0 HD12 LEU A 85 4.091 0.375 2.503 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.351 1.978 2.727 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.115 2.129 -0.090 1.00 0.00 H new ATOM 0 HD22 LEU A 85 3.004 3.469 0.673 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.511 2.859 -0.920 1.00 0.00 H new ATOM 1217 N THR A 86 8.052 3.957 -0.055 1.00 0.00 N ATOM 1218 CA THR A 86 9.411 4.381 0.262 1.00 0.00 C ATOM 1219 C THR A 86 9.406 5.707 1.016 1.00 0.00 C ATOM 1220 O THR A 86 8.397 6.409 1.049 1.00 0.00 O ATOM 1221 CB THR A 86 10.239 4.513 -1.018 1.00 0.00 C ATOM 1222 OG1 THR A 86 9.535 5.257 -1.996 1.00 0.00 O ATOM 1223 CG2 THR A 86 10.607 3.179 -1.632 1.00 0.00 C ATOM 0 H THR A 86 7.427 4.715 -0.331 1.00 0.00 H new ATOM 0 HA THR A 86 9.861 3.621 0.901 1.00 0.00 H new ATOM 0 HB THR A 86 11.155 5.022 -0.719 1.00 0.00 H new ATOM 0 HG1 THR A 86 9.968 6.128 -2.119 1.00 0.00 H new ATOM 0 HG21 THR A 86 11.193 3.344 -2.536 1.00 0.00 H new ATOM 0 HG22 THR A 86 11.194 2.600 -0.919 1.00 0.00 H new ATOM 0 HG23 THR A 86 9.699 2.631 -1.883 1.00 0.00 H new ATOM 1231 N ARG A 87 10.540 6.041 1.623 1.00 0.00 N ATOM 1232 CA ARG A 87 10.664 7.283 2.378 1.00 0.00 C ATOM 1233 C ARG A 87 11.327 8.369 1.536 1.00 0.00 C ATOM 1234 O ARG A 87 12.101 9.179 2.047 1.00 0.00 O ATOM 1235 CB ARG A 87 11.471 7.047 3.657 1.00 0.00 C ATOM 1236 CG ARG A 87 10.615 6.645 4.849 1.00 0.00 C ATOM 1237 CD ARG A 87 10.512 7.767 5.870 1.00 0.00 C ATOM 1238 NE ARG A 87 11.292 7.488 7.073 1.00 0.00 N ATOM 1239 CZ ARG A 87 11.109 8.106 8.237 1.00 0.00 C ATOM 1240 NH1 ARG A 87 10.173 9.041 8.360 1.00 0.00 N ATOM 1241 NH2 ARG A 87 11.862 7.791 9.282 1.00 0.00 N ATOM 0 H ARG A 87 11.385 5.470 1.607 1.00 0.00 H new ATOM 0 HA ARG A 87 9.662 7.619 2.645 1.00 0.00 H new ATOM 0 HB2 ARG A 87 12.211 6.268 3.472 1.00 0.00 H new ATOM 0 HB3 ARG A 87 12.020 7.956 3.904 1.00 0.00 H new ATOM 0 HG2 ARG A 87 9.617 6.373 4.505 1.00 0.00 H new ATOM 0 HG3 ARG A 87 11.042 5.760 5.322 1.00 0.00 H new ATOM 0 HD2 ARG A 87 10.859 8.698 5.421 1.00 0.00 H new ATOM 0 HD3 ARG A 87 9.467 7.914 6.142 1.00 0.00 H new ATOM 0 HE ARG A 87 12.021 6.777 7.017 1.00 0.00 H new ATOM 0 HH11 ARG A 87 9.591 9.288 7.560 1.00 0.00 H new ATOM 0 HH12 ARG A 87 10.037 9.512 9.255 1.00 0.00 H new ATOM 0 HH21 ARG A 87 12.582 7.074 9.194 1.00 0.00 H new ATOM 0 HH22 ARG A 87 11.721 8.265 10.174 1.00 0.00 H new ATOM 1255 N GLN A 88 11.019 8.380 0.243 1.00 0.00 N ATOM 1256 CA GLN A 88 11.585 9.367 -0.669 1.00 0.00 C ATOM 1257 C GLN A 88 10.987 9.221 -2.067 1.00 0.00 C ATOM 1258 O GLN A 88 10.722 8.109 -2.524 1.00 0.00 O ATOM 1259 CB GLN A 88 13.107 9.221 -0.730 1.00 0.00 C ATOM 1260 CG GLN A 88 13.852 10.308 0.028 1.00 0.00 C ATOM 1261 CD GLN A 88 15.141 9.806 0.649 1.00 0.00 C ATOM 1262 OE1 GLN A 88 15.950 9.155 -0.011 1.00 0.00 O ATOM 1263 NE2 GLN A 88 15.339 10.109 1.927 1.00 0.00 N ATOM 0 H GLN A 88 10.381 7.717 -0.196 1.00 0.00 H new ATOM 0 HA GLN A 88 11.339 10.360 -0.292 1.00 0.00 H new ATOM 0 HB2 GLN A 88 13.387 8.249 -0.324 1.00 0.00 H new ATOM 0 HB3 GLN A 88 13.424 9.234 -1.773 1.00 0.00 H new ATOM 0 HG2 GLN A 88 14.076 11.131 -0.651 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.207 10.707 0.811 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.641 10.651 2.437 1.00 0.00 H new ATOM 0 HE22 GLN A 88 16.189 9.799 2.399 1.00 0.00 H new ATOM 1272 N PRO A 89 10.767 10.347 -2.769 1.00 0.00 N ATOM 1273 CA PRO A 89 10.200 10.335 -4.121 1.00 0.00 C ATOM 1274 C PRO A 89 11.197 9.844 -5.163 1.00 0.00 C ATOM 1275 O PRO A 89 11.965 10.628 -5.721 1.00 0.00 O ATOM 1276 CB PRO A 89 9.848 11.803 -4.366 1.00 0.00 C ATOM 1277 CG PRO A 89 10.805 12.566 -3.519 1.00 0.00 C ATOM 1278 CD PRO A 89 11.055 11.718 -2.303 1.00 0.00 C ATOM 0 HA PRO A 89 9.350 9.658 -4.203 1.00 0.00 H new ATOM 0 HB2 PRO A 89 9.954 12.066 -5.419 1.00 0.00 H new ATOM 0 HB3 PRO A 89 8.816 12.015 -4.087 1.00 0.00 H new ATOM 0 HG2 PRO A 89 11.733 12.759 -4.057 1.00 0.00 H new ATOM 0 HG3 PRO A 89 10.391 13.535 -3.240 1.00 0.00 H new ATOM 0 HD2 PRO A 89 12.082 11.814 -1.952 1.00 0.00 H new ATOM 0 HD3 PRO A 89 10.407 12.004 -1.475 1.00 0.00 H new ATOM 1286 N SER A 90 11.181 8.540 -5.423 1.00 0.00 N ATOM 1287 CA SER A 90 12.086 7.944 -6.400 1.00 0.00 C ATOM 1288 C SER A 90 11.329 7.523 -7.655 1.00 0.00 C ATOM 1289 O SER A 90 10.658 6.491 -7.671 1.00 0.00 O ATOM 1290 CB SER A 90 12.801 6.737 -5.793 1.00 0.00 C ATOM 1291 OG SER A 90 11.883 5.707 -5.471 1.00 0.00 O ATOM 0 H SER A 90 10.552 7.876 -4.971 1.00 0.00 H new ATOM 0 HA SER A 90 12.826 8.694 -6.678 1.00 0.00 H new ATOM 0 HB2 SER A 90 13.544 6.359 -6.496 1.00 0.00 H new ATOM 0 HB3 SER A 90 13.338 7.043 -4.895 1.00 0.00 H new ATOM 0 HG SER A 90 11.111 5.757 -6.072 1.00 0.00 H new ATOM 1297 N GLY A 91 11.442 8.329 -8.707 1.00 0.00 N ATOM 1298 CA GLY A 91 10.763 8.022 -9.952 1.00 0.00 C ATOM 1299 C GLY A 91 9.300 8.426 -9.932 1.00 0.00 C ATOM 1300 O GLY A 91 8.428 7.589 -9.697 1.00 0.00 O ATOM 0 H GLY A 91 11.991 9.188 -8.719 1.00 0.00 H new ATOM 0 HA2 GLY A 91 11.267 8.534 -10.772 1.00 0.00 H new ATOM 0 HA3 GLY A 91 10.838 6.953 -10.149 1.00 0.00 H new ATOM 1304 N PRO A 92 8.998 9.712 -10.177 1.00 0.00 N ATOM 1305 CA PRO A 92 7.619 10.212 -10.182 1.00 0.00 C ATOM 1306 C PRO A 92 6.825 9.707 -11.382 1.00 0.00 C ATOM 1307 O PRO A 92 7.281 8.829 -12.115 1.00 0.00 O ATOM 1308 CB PRO A 92 7.792 11.730 -10.256 1.00 0.00 C ATOM 1309 CG PRO A 92 9.114 11.929 -10.912 1.00 0.00 C ATOM 1310 CD PRO A 92 9.976 10.778 -10.467 1.00 0.00 C ATOM 0 HA PRO A 92 7.060 9.876 -9.309 1.00 0.00 H new ATOM 0 HB2 PRO A 92 6.991 12.192 -10.832 1.00 0.00 H new ATOM 0 HB3 PRO A 92 7.771 12.180 -9.263 1.00 0.00 H new ATOM 0 HG2 PRO A 92 9.013 11.944 -11.997 1.00 0.00 H new ATOM 0 HG3 PRO A 92 9.555 12.882 -10.620 1.00 0.00 H new ATOM 0 HD2 PRO A 92 10.679 10.478 -11.244 1.00 0.00 H new ATOM 0 HD3 PRO A 92 10.565 11.034 -9.586 1.00 0.00 H new ATOM 1318 N SER A 93 5.635 10.265 -11.575 1.00 0.00 N ATOM 1319 CA SER A 93 4.777 9.871 -12.686 1.00 0.00 C ATOM 1320 C SER A 93 3.972 11.059 -13.201 1.00 0.00 C ATOM 1321 O SER A 93 3.694 12.001 -12.460 1.00 0.00 O ATOM 1322 CB SER A 93 3.832 8.748 -12.255 1.00 0.00 C ATOM 1323 OG SER A 93 2.864 9.222 -11.335 1.00 0.00 O ATOM 0 H SER A 93 5.243 10.992 -10.976 1.00 0.00 H new ATOM 0 HA SER A 93 5.414 9.510 -13.493 1.00 0.00 H new ATOM 0 HB2 SER A 93 3.333 8.332 -13.130 1.00 0.00 H new ATOM 0 HB3 SER A 93 4.405 7.940 -11.801 1.00 0.00 H new ATOM 0 HG SER A 93 2.271 8.486 -11.076 1.00 0.00 H new ATOM 1329 N SER A 94 3.601 11.007 -14.476 1.00 0.00 N ATOM 1330 CA SER A 94 2.827 12.079 -15.091 1.00 0.00 C ATOM 1331 C SER A 94 2.092 11.579 -16.330 1.00 0.00 C ATOM 1332 O SER A 94 1.873 12.330 -17.280 1.00 0.00 O ATOM 1333 CB SER A 94 3.741 13.248 -15.464 1.00 0.00 C ATOM 1334 OG SER A 94 2.986 14.385 -15.846 1.00 0.00 O ATOM 0 H SER A 94 3.824 10.234 -15.103 1.00 0.00 H new ATOM 0 HA SER A 94 2.089 12.421 -14.366 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.379 13.499 -14.617 1.00 0.00 H new ATOM 0 HB3 SER A 94 4.399 12.953 -16.282 1.00 0.00 H new ATOM 0 HG SER A 94 2.345 14.133 -16.543 1.00 0.00 H new ATOM 1340 N GLY A 95 1.713 10.304 -16.313 1.00 0.00 N ATOM 1341 CA GLY A 95 1.008 9.725 -17.441 1.00 0.00 C ATOM 1342 C GLY A 95 1.650 8.441 -17.930 1.00 0.00 C ATOM 1343 O GLY A 95 1.027 7.370 -17.778 1.00 0.00 O ATOM 1344 OXT GLY A 95 2.776 8.509 -18.467 1.00 0.00 O ATOM 0 H GLY A 95 1.882 9.663 -15.538 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -0.025 9.525 -17.156 1.00 0.00 H new ATOM 0 HA3 GLY A 95 0.980 10.447 -18.257 1.00 0.00 H new TER 1348 GLY A 95