USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 649 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 94 GLN : amide:sc= -0.0195 X(o=-2.3,f=-2.6) USER MOD Set 1.2: A 95 ASN : amide:sc= -2.32! C(o=-2.3!,f=-8!) USER MOD Set 2.1: A 1 MET N :NH3+ 151:sc= 1.37 (180deg=0.86) USER MOD Set 2.2: A 91 ASN :FLIP amide:sc= 0 F(o=-0.01!,f=1.4) USER MOD Set 3.1: A 59 SER OG : rot -71:sc= 1.23 USER MOD Set 3.2: A 73 CYS SG : rot 180:sc= -0.0907 USER MOD Set 4.1: A 54 ASN : amide:sc= 0.519 K(o=0.51,f=-0.33) USER MOD Set 4.2: A 57 HIS : no HD1:sc=-0.00879 X(o=0.51,f=0.47) USER MOD Set 5.1: A 14 ASN : amide:sc= 1.18 K(o=2.5,f=1.5) USER MOD Set 5.2: A 18 THR OG1 : rot -34:sc= 1.3 USER MOD Single : A 1 MET CE :methyl 161:sc= -0.0446 (180deg=-0.44) USER MOD Single : A 2 SER OG : rot 180:sc= -1.06 USER MOD Single : A 3 TYR OH : rot 28:sc= 0.158 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 88:sc= -2.63! USER MOD Single : A 9 ASN : amide:sc= -0.0186 K(o=-0.019,f=-0.97) USER MOD Single : A 13 THR OG1 : rot -149:sc= -1.71! USER MOD Single : A 23 CYS SG : rot -70:sc= -2.96! USER MOD Single : A 25 ASN : amide:sc= 0.268 K(o=0.27,f=-7.6!) USER MOD Single : A 29 ASN : amide:sc= 1.13 K(o=1.1,f=-0.18) USER MOD Single : A 32 THR OG1 : rot -65:sc= 1.34 USER MOD Single : A 33 SER OG : rot 135:sc= 1.3 USER MOD Single : A 39 THR OG1 : rot -29:sc= 0.97 USER MOD Single : A 40 CYS SG : rot -150:sc= 0.584 USER MOD Single : A 43 ASN : amide:sc= -5.38! C(o=-5.4!,f=-5.6!) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot -94:sc= -2.97! USER MOD Single : A 58 SER OG : rot 87:sc= 0.805 USER MOD Single : A 63 LYS NZ :NH3+ 167:sc= 1.1 (180deg=0.962) USER MOD Single : A 70 LYS NZ :NH3+ 151:sc= 1.2 (180deg=1) USER MOD Single : A 72 THR OG1 : rot 30:sc= 0.976 USER MOD Single : A 76 LYS NZ :NH3+ -172:sc= 1.6 (180deg=1.54) USER MOD Single : A 77 THR OG1 : rot -138:sc= 1.25 USER MOD Single : A 86 GLN : amide:sc= -0.744 X(o=-0.74,f=-0.43) USER MOD Single : A 97 ASN : amide:sc= -0.0365 X(o=-0.037,f=-0.43) USER MOD Single : A 103 GLN :FLIP amide:sc= 0 F(o=-0.98,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.291 14.598 -1.518 1.00 0.00 N ATOM 2 CA MET A 1 1.033 14.033 -1.866 1.00 0.00 C ATOM 3 C MET A 1 1.346 12.838 -0.984 1.00 0.00 C ATOM 4 O MET A 1 0.918 12.771 0.166 1.00 0.00 O ATOM 5 CB MET A 1 2.135 15.088 -1.734 1.00 0.00 C ATOM 6 CG MET A 1 2.103 16.147 -2.826 1.00 0.00 C ATOM 7 SD MET A 1 0.689 17.261 -2.692 1.00 0.00 S ATOM 8 CE MET A 1 1.133 18.176 -1.216 1.00 0.00 C ATOM 0 H1 MET A 1 -0.299 15.617 -1.726 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.029 14.125 -2.078 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.476 14.450 -0.505 1.00 0.00 H new ATOM 0 HA MET A 1 0.996 13.707 -2.905 1.00 0.00 H new ATOM 0 HB2 MET A 1 2.044 15.576 -0.764 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.105 14.591 -1.751 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.023 16.731 -2.785 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.080 15.656 -3.799 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.565 19.105 -1.179 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.906 17.577 -0.334 1.00 0.00 H new ATOM 0 HE3 MET A 1 2.199 18.403 -1.236 1.00 0.00 H new ATOM 16 N SER A 2 2.071 11.884 -1.537 1.00 0.00 N ATOM 17 CA SER A 2 2.440 10.684 -0.811 1.00 0.00 C ATOM 18 C SER A 2 3.954 10.568 -0.710 1.00 0.00 C ATOM 19 O SER A 2 4.681 11.440 -1.185 1.00 0.00 O ATOM 20 CB SER A 2 1.861 9.450 -1.501 1.00 0.00 C ATOM 21 OG SER A 2 0.495 9.643 -1.825 1.00 0.00 O ATOM 0 H SER A 2 2.419 11.918 -2.495 1.00 0.00 H new ATOM 0 HA SER A 2 2.029 10.748 0.196 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.427 9.237 -2.408 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.965 8.582 -0.849 1.00 0.00 H new ATOM 0 HG SER A 2 0.147 8.841 -2.267 1.00 0.00 H new ATOM 26 N TYR A 3 4.427 9.511 -0.074 1.00 0.00 N ATOM 27 CA TYR A 3 5.858 9.270 0.063 1.00 0.00 C ATOM 28 C TYR A 3 6.548 9.251 -1.305 1.00 0.00 C ATOM 29 O TYR A 3 7.683 9.708 -1.445 1.00 0.00 O ATOM 30 CB TYR A 3 6.091 7.932 0.773 1.00 0.00 C ATOM 31 CG TYR A 3 5.585 6.731 -0.003 1.00 0.00 C ATOM 32 CD1 TYR A 3 4.225 6.465 -0.105 1.00 0.00 C ATOM 33 CD2 TYR A 3 6.469 5.875 -0.648 1.00 0.00 C ATOM 34 CE1 TYR A 3 3.763 5.381 -0.821 1.00 0.00 C ATOM 35 CE2 TYR A 3 6.013 4.790 -1.369 1.00 0.00 C ATOM 36 CZ TYR A 3 4.660 4.548 -1.455 1.00 0.00 C ATOM 37 OH TYR A 3 4.199 3.468 -2.169 1.00 0.00 O ATOM 0 H TYR A 3 3.839 8.799 0.360 1.00 0.00 H new ATOM 0 HA TYR A 3 6.285 10.081 0.653 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.158 7.810 0.957 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.600 7.957 1.746 1.00 0.00 H new ATOM 0 HD1 TYR A 3 3.518 7.118 0.385 1.00 0.00 H new ATOM 0 HD2 TYR A 3 7.531 6.062 -0.584 1.00 0.00 H new ATOM 0 HE1 TYR A 3 2.703 5.185 -0.885 1.00 0.00 H new ATOM 0 HE2 TYR A 3 6.714 4.134 -1.863 1.00 0.00 H new ATOM 0 HH TYR A 3 3.298 3.658 -2.504 1.00 0.00 H new ATOM 46 N ALA A 4 5.833 8.745 -2.311 1.00 0.00 N ATOM 47 CA ALA A 4 6.346 8.621 -3.677 1.00 0.00 C ATOM 48 C ALA A 4 6.795 9.956 -4.268 1.00 0.00 C ATOM 49 O ALA A 4 7.550 9.984 -5.239 1.00 0.00 O ATOM 50 CB ALA A 4 5.292 7.979 -4.568 1.00 0.00 C ATOM 0 H ALA A 4 4.877 8.408 -2.201 1.00 0.00 H new ATOM 0 HA ALA A 4 7.231 7.986 -3.630 1.00 0.00 H new ATOM 0 HB1 ALA A 4 5.679 7.889 -5.583 1.00 0.00 H new ATOM 0 HB2 ALA A 4 5.046 6.989 -4.185 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.395 8.599 -4.575 1.00 0.00 H new ATOM 56 N ASP A 5 6.337 11.055 -3.687 1.00 0.00 N ATOM 57 CA ASP A 5 6.698 12.376 -4.160 1.00 0.00 C ATOM 58 C ASP A 5 8.166 12.679 -3.880 1.00 0.00 C ATOM 59 O ASP A 5 8.751 13.589 -4.468 1.00 0.00 O ATOM 60 CB ASP A 5 5.807 13.412 -3.490 1.00 0.00 C ATOM 61 CG ASP A 5 4.408 13.422 -4.062 1.00 0.00 C ATOM 62 OD1 ASP A 5 3.585 12.570 -3.663 1.00 0.00 O ATOM 63 OD2 ASP A 5 4.123 14.272 -4.926 1.00 0.00 O ATOM 0 H ASP A 5 5.711 11.054 -2.882 1.00 0.00 H new ATOM 0 HA ASP A 5 6.553 12.413 -5.240 1.00 0.00 H new ATOM 0 HB2 ASP A 5 5.758 13.209 -2.420 1.00 0.00 H new ATOM 0 HB3 ASP A 5 6.252 14.400 -3.607 1.00 0.00 H new ATOM 67 N SER A 6 8.754 11.921 -2.968 1.00 0.00 N ATOM 68 CA SER A 6 10.146 12.091 -2.615 1.00 0.00 C ATOM 69 C SER A 6 10.792 10.729 -2.379 1.00 0.00 C ATOM 70 O SER A 6 11.632 10.565 -1.492 1.00 0.00 O ATOM 71 CB SER A 6 10.270 12.983 -1.378 1.00 0.00 C ATOM 72 OG SER A 6 9.681 14.251 -1.615 1.00 0.00 O ATOM 0 H SER A 6 8.280 11.176 -2.457 1.00 0.00 H new ATOM 0 HA SER A 6 10.670 12.579 -3.437 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.785 12.504 -0.528 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.321 13.107 -1.117 1.00 0.00 H new ATOM 0 HG SER A 6 9.768 14.807 -0.813 1.00 0.00 H new ATOM 77 N SER A 7 10.380 9.747 -3.172 1.00 0.00 N ATOM 78 CA SER A 7 10.922 8.403 -3.070 1.00 0.00 C ATOM 79 C SER A 7 10.920 7.726 -4.434 1.00 0.00 C ATOM 80 O SER A 7 10.276 8.201 -5.372 1.00 0.00 O ATOM 81 CB SER A 7 10.131 7.566 -2.060 1.00 0.00 C ATOM 82 OG SER A 7 8.772 7.477 -2.422 1.00 0.00 O ATOM 0 H SER A 7 9.669 9.860 -3.895 1.00 0.00 H new ATOM 0 HA SER A 7 11.950 8.479 -2.716 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.560 6.566 -1.999 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.217 8.011 -1.069 1.00 0.00 H new ATOM 0 HG SER A 7 8.643 6.714 -3.023 1.00 0.00 H new ATOM 87 N ARG A 8 11.651 6.630 -4.536 1.00 0.00 N ATOM 88 CA ARG A 8 11.747 5.873 -5.773 1.00 0.00 C ATOM 89 C ARG A 8 11.933 4.394 -5.467 1.00 0.00 C ATOM 90 O ARG A 8 12.241 4.028 -4.329 1.00 0.00 O ATOM 91 CB ARG A 8 12.911 6.387 -6.632 1.00 0.00 C ATOM 92 CG ARG A 8 14.256 6.367 -5.920 1.00 0.00 C ATOM 93 CD ARG A 8 15.359 6.946 -6.793 1.00 0.00 C ATOM 94 NE ARG A 8 15.710 6.068 -7.909 1.00 0.00 N ATOM 95 CZ ARG A 8 15.938 6.494 -9.157 1.00 0.00 C ATOM 96 NH1 ARG A 8 15.727 7.764 -9.479 1.00 0.00 N ATOM 97 NH2 ARG A 8 16.351 5.637 -10.083 1.00 0.00 N ATOM 0 H ARG A 8 12.194 6.240 -3.766 1.00 0.00 H new ATOM 0 HA ARG A 8 10.821 6.005 -6.333 1.00 0.00 H new ATOM 0 HB2 ARG A 8 12.979 5.780 -7.535 1.00 0.00 H new ATOM 0 HB3 ARG A 8 12.693 7.407 -6.949 1.00 0.00 H new ATOM 0 HG2 ARG A 8 14.187 6.937 -4.994 1.00 0.00 H new ATOM 0 HG3 ARG A 8 14.508 5.343 -5.645 1.00 0.00 H new ATOM 0 HD2 ARG A 8 15.040 7.913 -7.182 1.00 0.00 H new ATOM 0 HD3 ARG A 8 16.245 7.124 -6.183 1.00 0.00 H new ATOM 0 HE ARG A 8 15.786 5.068 -7.724 1.00 0.00 H new ATOM 0 HH11 ARG A 8 15.390 8.420 -8.774 1.00 0.00 H new ATOM 0 HH12 ARG A 8 15.902 8.085 -10.431 1.00 0.00 H new ATOM 0 HH21 ARG A 8 16.494 4.656 -9.843 1.00 0.00 H new ATOM 0 HH22 ARG A 8 16.525 5.959 -11.035 1.00 0.00 H new ATOM 108 N ASN A 9 11.739 3.556 -6.483 1.00 0.00 N ATOM 109 CA ASN A 9 11.883 2.106 -6.344 1.00 0.00 C ATOM 110 C ASN A 9 10.880 1.545 -5.343 1.00 0.00 C ATOM 111 O ASN A 9 11.219 0.699 -4.517 1.00 0.00 O ATOM 112 CB ASN A 9 13.313 1.733 -5.926 1.00 0.00 C ATOM 113 CG ASN A 9 14.315 1.947 -7.041 1.00 0.00 C ATOM 114 OD1 ASN A 9 13.999 1.777 -8.218 1.00 0.00 O ATOM 115 ND2 ASN A 9 15.528 2.334 -6.683 1.00 0.00 N ATOM 0 H ASN A 9 11.479 3.859 -7.422 1.00 0.00 H new ATOM 0 HA ASN A 9 11.679 1.662 -7.319 1.00 0.00 H new ATOM 0 HB2 ASN A 9 13.603 2.330 -5.061 1.00 0.00 H new ATOM 0 HB3 ASN A 9 13.337 0.689 -5.615 1.00 0.00 H new ATOM 0 HD21 ASN A 9 16.240 2.502 -7.394 1.00 0.00 H new ATOM 0 HD22 ASN A 9 15.751 2.464 -5.696 1.00 0.00 H new ATOM 121 N ALA A 10 9.646 2.031 -5.420 1.00 0.00 N ATOM 122 CA ALA A 10 8.592 1.574 -4.528 1.00 0.00 C ATOM 123 C ALA A 10 8.030 0.248 -5.017 1.00 0.00 C ATOM 124 O ALA A 10 7.469 0.162 -6.113 1.00 0.00 O ATOM 125 CB ALA A 10 7.491 2.619 -4.427 1.00 0.00 C ATOM 0 H ALA A 10 9.353 2.741 -6.091 1.00 0.00 H new ATOM 0 HA ALA A 10 9.014 1.426 -3.534 1.00 0.00 H new ATOM 0 HB1 ALA A 10 6.710 2.261 -3.756 1.00 0.00 H new ATOM 0 HB2 ALA A 10 7.906 3.549 -4.038 1.00 0.00 H new ATOM 0 HB3 ALA A 10 7.067 2.797 -5.415 1.00 0.00 H new ATOM 131 N VAL A 11 8.188 -0.779 -4.201 1.00 0.00 N ATOM 132 CA VAL A 11 7.714 -2.113 -4.537 1.00 0.00 C ATOM 133 C VAL A 11 6.821 -2.662 -3.431 1.00 0.00 C ATOM 134 O VAL A 11 6.711 -2.067 -2.356 1.00 0.00 O ATOM 135 CB VAL A 11 8.888 -3.089 -4.776 1.00 0.00 C ATOM 136 CG1 VAL A 11 9.721 -2.651 -5.976 1.00 0.00 C ATOM 137 CG2 VAL A 11 9.762 -3.206 -3.535 1.00 0.00 C ATOM 0 H VAL A 11 8.645 -0.715 -3.292 1.00 0.00 H new ATOM 0 HA VAL A 11 7.140 -2.027 -5.459 1.00 0.00 H new ATOM 0 HB VAL A 11 8.467 -4.072 -4.990 1.00 0.00 H new ATOM 0 HG11 VAL A 11 10.542 -3.353 -6.125 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.093 -2.632 -6.867 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.124 -1.655 -5.795 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.580 -3.899 -3.730 1.00 0.00 H new ATOM 0 HG22 VAL A 11 10.168 -2.227 -3.282 1.00 0.00 H new ATOM 0 HG23 VAL A 11 9.164 -3.577 -2.702 1.00 0.00 H new ATOM 147 N LEU A 12 6.202 -3.806 -3.692 1.00 0.00 N ATOM 148 CA LEU A 12 5.308 -4.427 -2.726 1.00 0.00 C ATOM 149 C LEU A 12 5.981 -5.618 -2.065 1.00 0.00 C ATOM 150 O LEU A 12 6.337 -6.591 -2.733 1.00 0.00 O ATOM 151 CB LEU A 12 4.009 -4.901 -3.399 1.00 0.00 C ATOM 152 CG LEU A 12 3.062 -3.807 -3.907 1.00 0.00 C ATOM 153 CD1 LEU A 12 2.841 -2.761 -2.827 1.00 0.00 C ATOM 154 CD2 LEU A 12 3.579 -3.182 -5.198 1.00 0.00 C ATOM 0 H LEU A 12 6.303 -4.322 -4.566 1.00 0.00 H new ATOM 0 HA LEU A 12 5.068 -3.676 -1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.275 -5.540 -4.241 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.463 -5.521 -2.688 1.00 0.00 H new ATOM 0 HG LEU A 12 2.100 -4.264 -4.139 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.167 -1.990 -3.200 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.402 -3.233 -1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.796 -2.309 -2.557 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.885 -2.410 -5.532 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.558 -2.737 -5.020 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.664 -3.951 -5.966 1.00 0.00 H new ATOM 165 N THR A 13 6.160 -5.538 -0.756 1.00 0.00 N ATOM 166 CA THR A 13 6.787 -6.614 -0.012 1.00 0.00 C ATOM 167 C THR A 13 5.787 -7.289 0.921 1.00 0.00 C ATOM 168 O THR A 13 4.706 -6.745 1.192 1.00 0.00 O ATOM 169 CB THR A 13 8.000 -6.110 0.795 1.00 0.00 C ATOM 170 OG1 THR A 13 7.630 -4.994 1.615 1.00 0.00 O ATOM 171 CG2 THR A 13 9.133 -5.705 -0.134 1.00 0.00 C ATOM 0 H THR A 13 5.879 -4.738 -0.189 1.00 0.00 H new ATOM 0 HA THR A 13 7.139 -7.346 -0.739 1.00 0.00 H new ATOM 0 HB THR A 13 8.340 -6.925 1.434 1.00 0.00 H new ATOM 0 HG1 THR A 13 8.400 -4.397 1.722 1.00 0.00 H new ATOM 0 HG21 THR A 13 9.979 -5.352 0.456 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.440 -6.564 -0.730 1.00 0.00 H new ATOM 0 HG23 THR A 13 8.794 -4.907 -0.795 1.00 0.00 H new ATOM 179 N ASN A 14 6.154 -8.478 1.395 1.00 0.00 N ATOM 180 CA ASN A 14 5.316 -9.263 2.299 1.00 0.00 C ATOM 181 C ASN A 14 3.965 -9.567 1.669 1.00 0.00 C ATOM 182 O ASN A 14 2.920 -9.318 2.268 1.00 0.00 O ATOM 183 CB ASN A 14 5.125 -8.534 3.633 1.00 0.00 C ATOM 184 CG ASN A 14 6.404 -8.454 4.442 1.00 0.00 C ATOM 185 OD1 ASN A 14 7.241 -9.358 4.405 1.00 0.00 O ATOM 186 ND2 ASN A 14 6.569 -7.365 5.170 1.00 0.00 N ATOM 0 H ASN A 14 7.041 -8.925 1.163 1.00 0.00 H new ATOM 0 HA ASN A 14 5.826 -10.208 2.487 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.756 -7.526 3.442 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.361 -9.047 4.217 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.414 -7.249 5.730 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.852 -6.640 5.173 1.00 0.00 H new ATOM 192 N GLY A 15 3.990 -10.074 0.443 1.00 0.00 N ATOM 193 CA GLY A 15 2.759 -10.415 -0.245 1.00 0.00 C ATOM 194 C GLY A 15 2.142 -9.224 -0.948 1.00 0.00 C ATOM 195 O GLY A 15 1.529 -9.362 -2.005 1.00 0.00 O ATOM 0 H GLY A 15 4.842 -10.255 -0.088 1.00 0.00 H new ATOM 0 HA2 GLY A 15 2.959 -11.200 -0.974 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.045 -10.820 0.472 1.00 0.00 H new ATOM 199 N GLY A 16 2.312 -8.051 -0.363 1.00 0.00 N ATOM 200 CA GLY A 16 1.762 -6.847 -0.938 1.00 0.00 C ATOM 201 C GLY A 16 1.077 -5.999 0.107 1.00 0.00 C ATOM 202 O GLY A 16 -0.064 -5.583 -0.068 1.00 0.00 O ATOM 0 H GLY A 16 2.826 -7.912 0.507 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.558 -6.272 -1.411 1.00 0.00 H new ATOM 0 HA3 GLY A 16 1.050 -7.108 -1.720 1.00 0.00 H new ATOM 206 N ARG A 17 1.773 -5.761 1.208 1.00 0.00 N ATOM 207 CA ARG A 17 1.224 -4.956 2.290 1.00 0.00 C ATOM 208 C ARG A 17 2.234 -3.938 2.776 1.00 0.00 C ATOM 209 O ARG A 17 1.871 -2.835 3.187 1.00 0.00 O ATOM 210 CB ARG A 17 0.763 -5.834 3.451 1.00 0.00 C ATOM 211 CG ARG A 17 1.788 -6.846 3.932 1.00 0.00 C ATOM 212 CD ARG A 17 1.180 -7.773 4.971 1.00 0.00 C ATOM 213 NE ARG A 17 2.157 -8.701 5.536 1.00 0.00 N ATOM 214 CZ ARG A 17 2.573 -8.656 6.803 1.00 0.00 C ATOM 215 NH1 ARG A 17 2.142 -7.696 7.613 1.00 0.00 N ATOM 216 NH2 ARG A 17 3.425 -9.564 7.258 1.00 0.00 N ATOM 0 H ARG A 17 2.716 -6.112 1.376 1.00 0.00 H new ATOM 0 HA ARG A 17 0.358 -4.424 1.895 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.488 -5.191 4.287 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.139 -6.367 3.149 1.00 0.00 H new ATOM 0 HG2 ARG A 17 2.155 -7.429 3.087 1.00 0.00 H new ATOM 0 HG3 ARG A 17 2.647 -6.327 4.358 1.00 0.00 H new ATOM 0 HD2 ARG A 17 0.744 -7.178 5.773 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.367 -8.339 4.516 1.00 0.00 H new ATOM 0 HE ARG A 17 2.543 -9.424 4.928 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.491 -6.991 7.267 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.462 -7.664 8.581 1.00 0.00 H new ATOM 0 HH21 ARG A 17 3.765 -10.300 6.639 1.00 0.00 H new ATOM 0 HH22 ARG A 17 3.741 -9.527 8.227 1.00 0.00 H new ATOM 227 N THR A 18 3.497 -4.306 2.742 1.00 0.00 N ATOM 228 CA THR A 18 4.542 -3.409 3.164 1.00 0.00 C ATOM 229 C THR A 18 5.097 -2.679 1.947 1.00 0.00 C ATOM 230 O THR A 18 5.308 -3.282 0.892 1.00 0.00 O ATOM 231 CB THR A 18 5.667 -4.163 3.892 1.00 0.00 C ATOM 232 OG1 THR A 18 5.112 -5.022 4.906 1.00 0.00 O ATOM 233 CG2 THR A 18 6.638 -3.189 4.539 1.00 0.00 C ATOM 0 H THR A 18 3.821 -5.220 2.426 1.00 0.00 H new ATOM 0 HA THR A 18 4.121 -2.689 3.866 1.00 0.00 H new ATOM 0 HB THR A 18 6.203 -4.762 3.156 1.00 0.00 H new ATOM 0 HG1 THR A 18 4.314 -4.602 5.289 1.00 0.00 H new ATOM 0 HG21 THR A 18 7.425 -3.745 5.048 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.080 -2.553 3.772 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.105 -2.570 5.261 1.00 0.00 H new ATOM 241 N LEU A 19 5.292 -1.382 2.091 1.00 0.00 N ATOM 242 CA LEU A 19 5.808 -0.561 1.010 1.00 0.00 C ATOM 243 C LEU A 19 7.297 -0.357 1.163 1.00 0.00 C ATOM 244 O LEU A 19 7.744 0.260 2.128 1.00 0.00 O ATOM 245 CB LEU A 19 5.123 0.806 0.993 1.00 0.00 C ATOM 246 CG LEU A 19 3.650 0.797 0.607 1.00 0.00 C ATOM 247 CD1 LEU A 19 3.090 2.208 0.660 1.00 0.00 C ATOM 248 CD2 LEU A 19 3.473 0.208 -0.781 1.00 0.00 C ATOM 0 H LEU A 19 5.100 -0.870 2.952 1.00 0.00 H new ATOM 0 HA LEU A 19 5.604 -1.081 0.074 1.00 0.00 H new ATOM 0 HB2 LEU A 19 5.218 1.253 1.983 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.659 1.453 0.298 1.00 0.00 H new ATOM 0 HG LEU A 19 3.103 0.177 1.317 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.036 2.192 0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 19 3.193 2.603 1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.639 2.844 -0.035 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.415 0.208 -1.044 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.026 0.807 -1.504 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.850 -0.815 -0.793 1.00 0.00 H new ATOM 259 N ARG A 20 8.063 -0.881 0.226 1.00 0.00 N ATOM 260 CA ARG A 20 9.500 -0.714 0.270 1.00 0.00 C ATOM 261 C ARG A 20 9.914 0.320 -0.765 1.00 0.00 C ATOM 262 O ARG A 20 9.657 0.139 -1.955 1.00 0.00 O ATOM 263 CB ARG A 20 10.209 -2.041 -0.021 1.00 0.00 C ATOM 264 CG ARG A 20 11.728 -1.939 0.070 1.00 0.00 C ATOM 265 CD ARG A 20 12.426 -2.877 -0.907 1.00 0.00 C ATOM 266 NE ARG A 20 12.328 -4.284 -0.517 1.00 0.00 N ATOM 267 CZ ARG A 20 12.455 -5.306 -1.369 1.00 0.00 C ATOM 268 NH1 ARG A 20 12.661 -5.083 -2.660 1.00 0.00 N ATOM 269 NH2 ARG A 20 12.385 -6.554 -0.927 1.00 0.00 N ATOM 0 H ARG A 20 7.717 -1.421 -0.567 1.00 0.00 H new ATOM 0 HA ARG A 20 9.786 -0.380 1.268 1.00 0.00 H new ATOM 0 HB2 ARG A 20 9.858 -2.796 0.683 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.933 -2.383 -1.018 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.035 -0.913 -0.132 1.00 0.00 H new ATOM 0 HG3 ARG A 20 12.046 -2.173 1.086 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.991 -2.749 -1.898 1.00 0.00 H new ATOM 0 HD3 ARG A 20 13.477 -2.599 -0.982 1.00 0.00 H new ATOM 0 HE ARG A 20 12.152 -4.498 0.465 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.724 -4.126 -3.009 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.757 -5.868 -3.304 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.234 -6.736 0.065 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.482 -7.332 -1.579 1.00 0.00 H new ATOM 280 N ALA A 21 10.539 1.400 -0.323 1.00 0.00 N ATOM 281 CA ALA A 21 10.973 2.444 -1.238 1.00 0.00 C ATOM 282 C ALA A 21 12.159 3.216 -0.683 1.00 0.00 C ATOM 283 O ALA A 21 12.411 3.204 0.526 1.00 0.00 O ATOM 284 CB ALA A 21 9.821 3.398 -1.522 1.00 0.00 C ATOM 0 H ALA A 21 10.756 1.576 0.658 1.00 0.00 H new ATOM 0 HA ALA A 21 11.289 1.966 -2.165 1.00 0.00 H new ATOM 0 HB1 ALA A 21 10.154 4.177 -2.208 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.995 2.847 -1.972 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.488 3.854 -0.590 1.00 0.00 H new ATOM 290 N GLU A 22 12.875 3.894 -1.572 1.00 0.00 N ATOM 291 CA GLU A 22 14.012 4.715 -1.185 1.00 0.00 C ATOM 292 C GLU A 22 13.487 6.107 -0.912 1.00 0.00 C ATOM 293 O GLU A 22 13.127 6.826 -1.840 1.00 0.00 O ATOM 294 CB GLU A 22 15.063 4.773 -2.303 1.00 0.00 C ATOM 295 CG GLU A 22 15.596 3.409 -2.713 1.00 0.00 C ATOM 296 CD GLU A 22 16.346 2.705 -1.601 1.00 0.00 C ATOM 297 OE1 GLU A 22 17.559 2.957 -1.435 1.00 0.00 O ATOM 298 OE2 GLU A 22 15.732 1.879 -0.901 1.00 0.00 O ATOM 0 H GLU A 22 12.685 3.890 -2.574 1.00 0.00 H new ATOM 0 HA GLU A 22 14.493 4.289 -0.304 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.626 5.260 -3.175 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.896 5.395 -1.975 1.00 0.00 H new ATOM 0 HG2 GLU A 22 14.764 2.783 -3.035 1.00 0.00 H new ATOM 0 HG3 GLU A 22 16.258 3.527 -3.571 1.00 0.00 H new ATOM 303 N CYS A 23 13.413 6.478 0.350 1.00 0.00 N ATOM 304 CA CYS A 23 12.884 7.775 0.718 1.00 0.00 C ATOM 305 C CYS A 23 13.996 8.797 0.859 1.00 0.00 C ATOM 306 O CYS A 23 14.985 8.564 1.548 1.00 0.00 O ATOM 307 CB CYS A 23 12.097 7.660 2.019 1.00 0.00 C ATOM 308 SG CYS A 23 10.822 6.378 1.987 1.00 0.00 S ATOM 0 H CYS A 23 13.712 5.901 1.136 1.00 0.00 H new ATOM 0 HA CYS A 23 12.217 8.115 -0.074 1.00 0.00 H new ATOM 0 HB2 CYS A 23 12.789 7.451 2.835 1.00 0.00 H new ATOM 0 HB3 CYS A 23 11.629 8.620 2.236 1.00 0.00 H new ATOM 0 HG CYS A 23 9.859 6.743 1.194 1.00 0.00 H new ATOM 313 N ARG A 24 13.845 9.918 0.173 1.00 0.00 N ATOM 314 CA ARG A 24 14.818 10.977 0.232 1.00 0.00 C ATOM 315 C ARG A 24 14.688 11.722 1.551 1.00 0.00 C ATOM 316 O ARG A 24 13.697 12.415 1.787 1.00 0.00 O ATOM 317 CB ARG A 24 14.593 11.916 -0.942 1.00 0.00 C ATOM 318 CG ARG A 24 15.826 12.685 -1.343 1.00 0.00 C ATOM 319 CD ARG A 24 15.666 13.242 -2.739 1.00 0.00 C ATOM 320 NE ARG A 24 14.726 14.358 -2.782 1.00 0.00 N ATOM 321 CZ ARG A 24 13.975 14.663 -3.837 1.00 0.00 C ATOM 322 NH1 ARG A 24 14.029 13.920 -4.938 1.00 0.00 N ATOM 323 NH2 ARG A 24 13.167 15.712 -3.793 1.00 0.00 N ATOM 0 H ARG A 24 13.048 10.111 -0.434 1.00 0.00 H new ATOM 0 HA ARG A 24 15.825 10.565 0.172 1.00 0.00 H new ATOM 0 HB2 ARG A 24 14.241 11.338 -1.797 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.802 12.621 -0.686 1.00 0.00 H new ATOM 0 HG2 ARG A 24 16.001 13.497 -0.638 1.00 0.00 H new ATOM 0 HG3 ARG A 24 16.699 12.033 -1.302 1.00 0.00 H new ATOM 0 HD2 ARG A 24 16.636 13.572 -3.110 1.00 0.00 H new ATOM 0 HD3 ARG A 24 15.321 12.452 -3.406 1.00 0.00 H new ATOM 0 HE ARG A 24 14.639 14.941 -1.950 1.00 0.00 H new ATOM 0 HH11 ARG A 24 14.649 13.111 -4.977 1.00 0.00 H new ATOM 0 HH12 ARG A 24 13.451 14.159 -5.743 1.00 0.00 H new ATOM 0 HH21 ARG A 24 13.121 16.285 -2.951 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.591 15.946 -4.602 1.00 0.00 H new ATOM 334 N ASN A 25 15.677 11.560 2.419 1.00 0.00 N ATOM 335 CA ASN A 25 15.647 12.220 3.716 1.00 0.00 C ATOM 336 C ASN A 25 16.147 13.650 3.583 1.00 0.00 C ATOM 337 O ASN A 25 16.701 13.999 2.539 1.00 0.00 O ATOM 338 CB ASN A 25 16.461 11.445 4.769 1.00 0.00 C ATOM 339 CG ASN A 25 17.943 11.765 4.768 1.00 0.00 C ATOM 340 OD1 ASN A 25 18.388 12.673 5.467 1.00 0.00 O ATOM 341 ND2 ASN A 25 18.719 11.013 4.006 1.00 0.00 N ATOM 0 H ASN A 25 16.502 10.984 2.251 1.00 0.00 H new ATOM 0 HA ASN A 25 14.614 12.239 4.063 1.00 0.00 H new ATOM 0 HB2 ASN A 25 16.055 11.661 5.757 1.00 0.00 H new ATOM 0 HB3 ASN A 25 16.331 10.376 4.598 1.00 0.00 H new ATOM 0 HD21 ASN A 25 19.725 11.177 3.984 1.00 0.00 H new ATOM 0 HD22 ASN A 25 18.311 10.269 3.440 1.00 0.00 H new ATOM 347 N ALA A 26 15.976 14.452 4.631 1.00 0.00 N ATOM 348 CA ALA A 26 16.373 15.865 4.626 1.00 0.00 C ATOM 349 C ALA A 26 17.792 16.098 4.092 1.00 0.00 C ATOM 350 O ALA A 26 18.052 17.098 3.421 1.00 0.00 O ATOM 351 CB ALA A 26 16.239 16.436 6.027 1.00 0.00 C ATOM 0 H ALA A 26 15.559 14.144 5.509 1.00 0.00 H new ATOM 0 HA ALA A 26 15.701 16.381 3.940 1.00 0.00 H new ATOM 0 HB1 ALA A 26 16.534 17.485 6.022 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.203 16.352 6.357 1.00 0.00 H new ATOM 0 HB3 ALA A 26 16.883 15.881 6.709 1.00 0.00 H new ATOM 357 N ASP A 27 18.694 15.159 4.360 1.00 0.00 N ATOM 358 CA ASP A 27 20.085 15.268 3.914 1.00 0.00 C ATOM 359 C ASP A 27 20.191 15.158 2.395 1.00 0.00 C ATOM 360 O ASP A 27 21.221 15.476 1.797 1.00 0.00 O ATOM 361 CB ASP A 27 20.928 14.176 4.579 1.00 0.00 C ATOM 362 CG ASP A 27 22.356 14.136 4.075 1.00 0.00 C ATOM 363 OD1 ASP A 27 23.154 15.016 4.456 1.00 0.00 O ATOM 364 OD2 ASP A 27 22.690 13.219 3.294 1.00 0.00 O ATOM 0 H ASP A 27 18.488 14.309 4.886 1.00 0.00 H new ATOM 0 HA ASP A 27 20.461 16.248 4.206 1.00 0.00 H new ATOM 0 HB2 ASP A 27 20.934 14.337 5.657 1.00 0.00 H new ATOM 0 HB3 ASP A 27 20.460 13.207 4.404 1.00 0.00 H new ATOM 368 N GLY A 28 19.107 14.732 1.774 1.00 0.00 N ATOM 369 CA GLY A 28 19.083 14.568 0.340 1.00 0.00 C ATOM 370 C GLY A 28 19.613 13.212 -0.053 1.00 0.00 C ATOM 371 O GLY A 28 20.130 13.027 -1.156 1.00 0.00 O ATOM 0 H GLY A 28 18.233 14.494 2.244 1.00 0.00 H new ATOM 0 HA2 GLY A 28 18.063 14.685 -0.027 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.682 15.348 -0.130 1.00 0.00 H new ATOM 375 N ASN A 29 19.490 12.261 0.862 1.00 0.00 N ATOM 376 CA ASN A 29 19.972 10.908 0.624 1.00 0.00 C ATOM 377 C ASN A 29 18.822 9.917 0.616 1.00 0.00 C ATOM 378 O ASN A 29 17.792 10.142 1.256 1.00 0.00 O ATOM 379 CB ASN A 29 20.986 10.504 1.691 1.00 0.00 C ATOM 380 CG ASN A 29 22.392 10.408 1.142 1.00 0.00 C ATOM 381 OD1 ASN A 29 22.766 9.408 0.538 1.00 0.00 O ATOM 382 ND2 ASN A 29 23.191 11.424 1.392 1.00 0.00 N ATOM 0 H ASN A 29 19.060 12.401 1.776 1.00 0.00 H new ATOM 0 HA ASN A 29 20.455 10.894 -0.353 1.00 0.00 H new ATOM 0 HB2 ASN A 29 20.965 11.231 2.503 1.00 0.00 H new ATOM 0 HB3 ASN A 29 20.698 9.543 2.116 1.00 0.00 H new ATOM 0 HD21 ASN A 29 24.162 11.398 1.080 1.00 0.00 H new ATOM 0 HD22 ASN A 29 22.839 12.237 1.898 1.00 0.00 H new ATOM 388 N TRP A 30 19.013 8.815 -0.095 1.00 0.00 N ATOM 389 CA TRP A 30 17.993 7.782 -0.202 1.00 0.00 C ATOM 390 C TRP A 30 18.127 6.751 0.912 1.00 0.00 C ATOM 391 O TRP A 30 19.195 6.174 1.112 1.00 0.00 O ATOM 392 CB TRP A 30 18.090 7.067 -1.551 1.00 0.00 C ATOM 393 CG TRP A 30 17.896 7.961 -2.734 1.00 0.00 C ATOM 394 CD1 TRP A 30 18.845 8.338 -3.639 1.00 0.00 C ATOM 395 CD2 TRP A 30 16.679 8.589 -3.146 1.00 0.00 C ATOM 396 NE1 TRP A 30 18.286 9.148 -4.594 1.00 0.00 N ATOM 397 CE2 TRP A 30 16.961 9.317 -4.311 1.00 0.00 C ATOM 398 CE3 TRP A 30 15.378 8.599 -2.646 1.00 0.00 C ATOM 399 CZ2 TRP A 30 15.989 10.048 -4.984 1.00 0.00 C ATOM 400 CZ3 TRP A 30 14.415 9.331 -3.314 1.00 0.00 C ATOM 401 CH2 TRP A 30 14.725 10.043 -4.473 1.00 0.00 C ATOM 0 H TRP A 30 19.870 8.613 -0.609 1.00 0.00 H new ATOM 0 HA TRP A 30 17.025 8.275 -0.114 1.00 0.00 H new ATOM 0 HB2 TRP A 30 19.067 6.589 -1.627 1.00 0.00 H new ATOM 0 HB3 TRP A 30 17.344 6.273 -1.583 1.00 0.00 H new ATOM 0 HD1 TRP A 30 19.883 8.042 -3.608 1.00 0.00 H new ATOM 0 HE1 TRP A 30 18.780 9.558 -5.387 1.00 0.00 H new ATOM 0 HE3 TRP A 30 15.127 8.045 -1.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 16.227 10.601 -5.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 13.405 9.352 -2.932 1.00 0.00 H new ATOM 0 HH2 TRP A 30 13.949 10.601 -4.975 1.00 0.00 H new ATOM 411 N VAL A 31 17.047 6.537 1.642 1.00 0.00 N ATOM 412 CA VAL A 31 17.030 5.554 2.712 1.00 0.00 C ATOM 413 C VAL A 31 15.895 4.566 2.491 1.00 0.00 C ATOM 414 O VAL A 31 14.766 4.958 2.189 1.00 0.00 O ATOM 415 CB VAL A 31 16.889 6.200 4.109 1.00 0.00 C ATOM 416 CG1 VAL A 31 18.172 6.911 4.506 1.00 0.00 C ATOM 417 CG2 VAL A 31 15.715 7.162 4.157 1.00 0.00 C ATOM 0 H VAL A 31 16.165 7.033 1.513 1.00 0.00 H new ATOM 0 HA VAL A 31 17.989 5.037 2.686 1.00 0.00 H new ATOM 0 HB VAL A 31 16.699 5.400 4.824 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.050 7.358 5.493 1.00 0.00 H new ATOM 0 HG12 VAL A 31 18.992 6.194 4.532 1.00 0.00 H new ATOM 0 HG13 VAL A 31 18.395 7.692 3.779 1.00 0.00 H new ATOM 0 HG21 VAL A 31 15.643 7.599 5.153 1.00 0.00 H new ATOM 0 HG22 VAL A 31 15.863 7.954 3.423 1.00 0.00 H new ATOM 0 HG23 VAL A 31 14.794 6.624 3.930 1.00 0.00 H new ATOM 427 N THR A 32 16.200 3.284 2.617 1.00 0.00 N ATOM 428 CA THR A 32 15.199 2.249 2.427 1.00 0.00 C ATOM 429 C THR A 32 14.260 2.192 3.622 1.00 0.00 C ATOM 430 O THR A 32 14.652 1.776 4.713 1.00 0.00 O ATOM 431 CB THR A 32 15.849 0.866 2.234 1.00 0.00 C ATOM 432 OG1 THR A 32 16.873 0.943 1.235 1.00 0.00 O ATOM 433 CG2 THR A 32 14.814 -0.173 1.824 1.00 0.00 C ATOM 0 H THR A 32 17.131 2.937 2.849 1.00 0.00 H new ATOM 0 HA THR A 32 14.638 2.502 1.528 1.00 0.00 H new ATOM 0 HB THR A 32 16.286 0.562 3.185 1.00 0.00 H new ATOM 0 HG1 THR A 32 16.469 1.153 0.367 1.00 0.00 H new ATOM 0 HG21 THR A 32 15.300 -1.140 1.695 1.00 0.00 H new ATOM 0 HG22 THR A 32 14.051 -0.252 2.598 1.00 0.00 H new ATOM 0 HG23 THR A 32 14.349 0.128 0.885 1.00 0.00 H new ATOM 441 N SER A 33 13.030 2.616 3.417 1.00 0.00 N ATOM 442 CA SER A 33 12.041 2.607 4.480 1.00 0.00 C ATOM 443 C SER A 33 10.824 1.798 4.063 1.00 0.00 C ATOM 444 O SER A 33 10.424 1.823 2.898 1.00 0.00 O ATOM 445 CB SER A 33 11.643 4.034 4.846 1.00 0.00 C ATOM 446 OG SER A 33 12.729 4.727 5.440 1.00 0.00 O ATOM 0 H SER A 33 12.689 2.972 2.524 1.00 0.00 H new ATOM 0 HA SER A 33 12.478 2.137 5.361 1.00 0.00 H new ATOM 0 HB2 SER A 33 11.313 4.564 3.952 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.799 4.015 5.535 1.00 0.00 H new ATOM 0 HG SER A 33 12.794 5.625 5.054 1.00 0.00 H new ATOM 451 N GLU A 34 10.250 1.078 5.016 1.00 0.00 N ATOM 452 CA GLU A 34 9.090 0.251 4.746 1.00 0.00 C ATOM 453 C GLU A 34 7.967 0.537 5.729 1.00 0.00 C ATOM 454 O GLU A 34 8.191 0.646 6.935 1.00 0.00 O ATOM 455 CB GLU A 34 9.461 -1.227 4.816 1.00 0.00 C ATOM 456 CG GLU A 34 10.400 -1.680 3.716 1.00 0.00 C ATOM 457 CD GLU A 34 10.766 -3.140 3.843 1.00 0.00 C ATOM 458 OE1 GLU A 34 11.706 -3.453 4.598 1.00 0.00 O ATOM 459 OE2 GLU A 34 10.121 -3.987 3.185 1.00 0.00 O ATOM 0 H GLU A 34 10.572 1.052 5.984 1.00 0.00 H new ATOM 0 HA GLU A 34 8.742 0.491 3.741 1.00 0.00 H new ATOM 0 HB2 GLU A 34 9.925 -1.429 5.781 1.00 0.00 H new ATOM 0 HB3 GLU A 34 8.549 -1.822 4.769 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.932 -1.508 2.747 1.00 0.00 H new ATOM 0 HG3 GLU A 34 11.307 -1.076 3.743 1.00 0.00 H new ATOM 464 N LEU A 35 6.763 0.661 5.203 1.00 0.00 N ATOM 465 CA LEU A 35 5.589 0.909 6.029 1.00 0.00 C ATOM 466 C LEU A 35 4.553 -0.163 5.727 1.00 0.00 C ATOM 467 O LEU A 35 4.259 -0.432 4.561 1.00 0.00 O ATOM 468 CB LEU A 35 5.016 2.310 5.759 1.00 0.00 C ATOM 469 CG LEU A 35 4.125 2.917 6.862 1.00 0.00 C ATOM 470 CD1 LEU A 35 2.763 2.244 6.915 1.00 0.00 C ATOM 471 CD2 LEU A 35 4.810 2.823 8.217 1.00 0.00 C ATOM 0 H LEU A 35 6.569 0.594 4.204 1.00 0.00 H new ATOM 0 HA LEU A 35 5.866 0.868 7.082 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.849 2.990 5.581 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.436 2.269 4.837 1.00 0.00 H new ATOM 0 HG LEU A 35 3.971 3.968 6.616 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.163 2.698 7.704 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.258 2.369 5.957 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.890 1.181 7.122 1.00 0.00 H new ATOM 0 HD21 LEU A 35 4.165 3.257 8.981 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.003 1.777 8.455 1.00 0.00 H new ATOM 0 HD23 LEU A 35 5.753 3.368 8.186 1.00 0.00 H new ATOM 482 N ASP A 36 4.026 -0.784 6.767 1.00 0.00 N ATOM 483 CA ASP A 36 3.027 -1.828 6.595 1.00 0.00 C ATOM 484 C ASP A 36 1.638 -1.222 6.569 1.00 0.00 C ATOM 485 O ASP A 36 1.161 -0.705 7.577 1.00 0.00 O ATOM 486 CB ASP A 36 3.105 -2.859 7.720 1.00 0.00 C ATOM 487 CG ASP A 36 2.304 -4.101 7.402 1.00 0.00 C ATOM 488 OD1 ASP A 36 2.857 -5.008 6.745 1.00 0.00 O ATOM 489 OD2 ASP A 36 1.125 -4.173 7.803 1.00 0.00 O ATOM 0 H ASP A 36 4.271 -0.586 7.737 1.00 0.00 H new ATOM 0 HA ASP A 36 3.229 -2.328 5.648 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.146 -3.132 7.891 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.736 -2.416 8.645 1.00 0.00 H new ATOM 493 N LEU A 37 0.997 -1.263 5.417 1.00 0.00 N ATOM 494 CA LEU A 37 -0.341 -0.713 5.287 1.00 0.00 C ATOM 495 C LEU A 37 -1.392 -1.743 5.677 1.00 0.00 C ATOM 496 O LEU A 37 -2.550 -1.397 5.870 1.00 0.00 O ATOM 497 CB LEU A 37 -0.604 -0.248 3.856 1.00 0.00 C ATOM 498 CG LEU A 37 0.631 0.158 3.059 1.00 0.00 C ATOM 499 CD1 LEU A 37 0.237 0.500 1.637 1.00 0.00 C ATOM 500 CD2 LEU A 37 1.332 1.337 3.712 1.00 0.00 C ATOM 0 H LEU A 37 1.377 -1.668 4.562 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.408 0.142 5.960 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.113 -1.049 3.320 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.289 0.599 3.888 1.00 0.00 H new ATOM 0 HG LEU A 37 1.326 -0.682 3.043 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.124 0.789 1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.224 -0.369 1.168 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.473 1.327 1.645 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.210 1.609 3.126 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.650 2.186 3.758 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.640 1.064 4.721 1.00 0.00 H new ATOM 511 N ASP A 38 -0.989 -3.004 5.812 1.00 0.00 N ATOM 512 CA ASP A 38 -1.930 -4.072 6.162 1.00 0.00 C ATOM 513 C ASP A 38 -2.561 -3.825 7.519 1.00 0.00 C ATOM 514 O ASP A 38 -3.738 -4.097 7.719 1.00 0.00 O ATOM 515 CB ASP A 38 -1.238 -5.436 6.154 1.00 0.00 C ATOM 516 CG ASP A 38 -2.152 -6.570 6.532 1.00 0.00 C ATOM 517 OD1 ASP A 38 -2.365 -6.790 7.744 1.00 0.00 O ATOM 518 OD2 ASP A 38 -2.648 -7.259 5.615 1.00 0.00 O ATOM 0 H ASP A 38 -0.025 -3.313 5.686 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.717 -4.072 5.407 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -0.830 -5.623 5.161 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.395 -5.412 6.845 1.00 0.00 H new ATOM 522 N THR A 39 -1.780 -3.281 8.435 1.00 0.00 N ATOM 523 CA THR A 39 -2.258 -2.994 9.777 1.00 0.00 C ATOM 524 C THR A 39 -3.218 -1.793 9.802 1.00 0.00 C ATOM 525 O THR A 39 -3.704 -1.403 10.866 1.00 0.00 O ATOM 526 CB THR A 39 -1.071 -2.769 10.748 1.00 0.00 C ATOM 527 OG1 THR A 39 -1.542 -2.405 12.054 1.00 0.00 O ATOM 528 CG2 THR A 39 -0.121 -1.698 10.231 1.00 0.00 C ATOM 0 H THR A 39 -0.805 -3.027 8.273 1.00 0.00 H new ATOM 0 HA THR A 39 -2.820 -3.865 10.113 1.00 0.00 H new ATOM 0 HB THR A 39 -0.526 -3.711 10.813 1.00 0.00 H new ATOM 0 HG1 THR A 39 -2.398 -1.934 11.974 1.00 0.00 H new ATOM 0 HG21 THR A 39 0.699 -1.567 10.937 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.279 -2.002 9.264 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.659 -0.756 10.121 1.00 0.00 H new ATOM 536 N CYS A 40 -3.499 -1.210 8.637 1.00 0.00 N ATOM 537 CA CYS A 40 -4.403 -0.062 8.564 1.00 0.00 C ATOM 538 C CYS A 40 -5.409 -0.180 7.411 1.00 0.00 C ATOM 539 O CYS A 40 -6.459 0.466 7.430 1.00 0.00 O ATOM 540 CB CYS A 40 -3.592 1.226 8.432 1.00 0.00 C ATOM 541 SG CYS A 40 -2.443 1.512 9.799 1.00 0.00 S ATOM 0 H CYS A 40 -3.118 -1.510 7.739 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.981 -0.040 9.488 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.030 1.196 7.498 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -4.278 2.070 8.364 1.00 0.00 H new ATOM 0 HG CYS A 40 -2.282 2.791 9.970 1.00 0.00 H new ATOM 546 N ILE A 41 -5.088 -0.995 6.413 1.00 0.00 N ATOM 547 CA ILE A 41 -5.963 -1.196 5.263 1.00 0.00 C ATOM 548 C ILE A 41 -6.603 -2.576 5.327 1.00 0.00 C ATOM 549 O ILE A 41 -5.935 -3.559 5.648 1.00 0.00 O ATOM 550 CB ILE A 41 -5.188 -1.073 3.929 1.00 0.00 C ATOM 551 CG1 ILE A 41 -4.591 0.323 3.773 1.00 0.00 C ATOM 552 CG2 ILE A 41 -6.090 -1.400 2.748 1.00 0.00 C ATOM 553 CD1 ILE A 41 -3.801 0.502 2.493 1.00 0.00 C ATOM 0 H ILE A 41 -4.221 -1.531 6.377 1.00 0.00 H new ATOM 0 HA ILE A 41 -6.728 -0.421 5.299 1.00 0.00 H new ATOM 0 HB ILE A 41 -4.371 -1.794 3.948 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.395 1.059 3.800 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -3.941 0.529 4.624 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -5.524 -1.307 1.821 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -6.462 -2.420 2.845 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -6.932 -0.708 2.730 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -3.406 1.517 2.448 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -2.976 -0.210 2.472 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.452 0.328 1.636 1.00 0.00 H new ATOM 564 N GLY A 42 -7.891 -2.653 5.026 1.00 0.00 N ATOM 565 CA GLY A 42 -8.575 -3.925 5.061 1.00 0.00 C ATOM 566 C GLY A 42 -9.705 -4.001 4.062 1.00 0.00 C ATOM 567 O GLY A 42 -10.184 -2.972 3.579 1.00 0.00 O ATOM 0 H GLY A 42 -8.472 -1.858 4.759 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.861 -4.724 4.859 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.968 -4.095 6.063 1.00 0.00 H new ATOM 571 N ASN A 43 -10.113 -5.222 3.734 1.00 0.00 N ATOM 572 CA ASN A 43 -11.210 -5.441 2.798 1.00 0.00 C ATOM 573 C ASN A 43 -11.841 -6.829 2.979 1.00 0.00 C ATOM 574 O ASN A 43 -12.042 -7.553 2.009 1.00 0.00 O ATOM 575 CB ASN A 43 -10.740 -5.258 1.344 1.00 0.00 C ATOM 576 CG ASN A 43 -9.600 -6.176 0.941 1.00 0.00 C ATOM 577 OD1 ASN A 43 -9.812 -7.290 0.494 1.00 0.00 O ATOM 578 ND2 ASN A 43 -8.379 -5.695 1.067 1.00 0.00 N ATOM 0 H ASN A 43 -9.699 -6.078 4.104 1.00 0.00 H new ATOM 0 HA ASN A 43 -11.972 -4.693 3.016 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.584 -5.430 0.676 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -10.427 -4.224 1.202 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -7.577 -6.259 0.787 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -8.236 -4.758 1.445 1.00 0.00 H new ATOM 584 N PRO A 44 -12.221 -7.209 4.218 1.00 0.00 N ATOM 585 CA PRO A 44 -12.819 -8.525 4.478 1.00 0.00 C ATOM 586 C PRO A 44 -14.239 -8.620 3.932 1.00 0.00 C ATOM 587 O PRO A 44 -14.772 -9.711 3.720 1.00 0.00 O ATOM 588 CB PRO A 44 -12.822 -8.622 6.003 1.00 0.00 C ATOM 589 CG PRO A 44 -12.885 -7.210 6.470 1.00 0.00 C ATOM 590 CD PRO A 44 -12.144 -6.392 5.446 1.00 0.00 C ATOM 0 HA PRO A 44 -12.268 -9.331 3.994 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.676 -9.196 6.362 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -11.925 -9.121 6.370 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -13.919 -6.876 6.560 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.429 -7.106 7.455 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.605 -5.414 5.305 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.111 -6.217 5.746 1.00 0.00 H new ATOM 595 N ASN A 45 -14.845 -7.463 3.701 1.00 0.00 N ATOM 596 CA ASN A 45 -16.195 -7.398 3.171 1.00 0.00 C ATOM 597 C ASN A 45 -16.152 -7.337 1.654 1.00 0.00 C ATOM 598 O ASN A 45 -17.178 -7.460 0.982 1.00 0.00 O ATOM 599 CB ASN A 45 -16.940 -6.180 3.726 1.00 0.00 C ATOM 600 CG ASN A 45 -17.182 -6.274 5.209 1.00 0.00 C ATOM 601 OD1 ASN A 45 -16.355 -5.854 6.021 1.00 0.00 O ATOM 602 ND2 ASN A 45 -18.320 -6.815 5.576 1.00 0.00 N ATOM 0 H ASN A 45 -14.418 -6.553 3.874 1.00 0.00 H new ATOM 0 HA ASN A 45 -16.731 -8.296 3.479 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -16.365 -5.279 3.512 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -17.896 -6.078 3.212 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -18.548 -6.901 6.566 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -18.976 -7.150 4.871 1.00 0.00 H new ATOM 608 N GLY A 46 -14.949 -7.162 1.121 1.00 0.00 N ATOM 609 CA GLY A 46 -14.780 -7.086 -0.311 1.00 0.00 C ATOM 610 C GLY A 46 -14.583 -5.669 -0.803 1.00 0.00 C ATOM 611 O GLY A 46 -14.569 -5.423 -2.007 1.00 0.00 O ATOM 0 H GLY A 46 -14.087 -7.072 1.660 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.921 -7.690 -0.604 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -15.654 -7.517 -0.799 1.00 0.00 H new ATOM 615 N PHE A 47 -14.438 -4.731 0.121 1.00 0.00 N ATOM 616 CA PHE A 47 -14.250 -3.337 -0.247 1.00 0.00 C ATOM 617 C PHE A 47 -12.991 -2.768 0.390 1.00 0.00 C ATOM 618 O PHE A 47 -12.716 -2.999 1.565 1.00 0.00 O ATOM 619 CB PHE A 47 -15.475 -2.521 0.145 1.00 0.00 C ATOM 620 CG PHE A 47 -16.714 -2.965 -0.570 1.00 0.00 C ATOM 621 CD1 PHE A 47 -16.805 -2.859 -1.949 1.00 0.00 C ATOM 622 CD2 PHE A 47 -17.781 -3.498 0.131 1.00 0.00 C ATOM 623 CE1 PHE A 47 -17.940 -3.277 -2.615 1.00 0.00 C ATOM 624 CE2 PHE A 47 -18.920 -3.918 -0.529 1.00 0.00 C ATOM 625 CZ PHE A 47 -19.000 -3.807 -1.903 1.00 0.00 C ATOM 0 H PHE A 47 -14.447 -4.909 1.125 1.00 0.00 H new ATOM 0 HA PHE A 47 -14.127 -3.280 -1.328 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -15.632 -2.601 1.221 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.291 -1.469 -0.073 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -15.979 -2.445 -2.509 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -17.723 -3.587 1.206 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -18.000 -3.190 -3.690 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -19.747 -4.333 0.029 1.00 0.00 H new ATOM 0 HZ PHE A 47 -19.890 -4.134 -2.421 1.00 0.00 H new ATOM 634 N LEU A 48 -12.244 -2.005 -0.391 1.00 0.00 N ATOM 635 CA LEU A 48 -10.992 -1.416 0.067 1.00 0.00 C ATOM 636 C LEU A 48 -11.221 -0.127 0.844 1.00 0.00 C ATOM 637 O LEU A 48 -12.154 0.627 0.562 1.00 0.00 O ATOM 638 CB LEU A 48 -10.094 -1.122 -1.135 1.00 0.00 C ATOM 639 CG LEU A 48 -9.537 -2.348 -1.859 1.00 0.00 C ATOM 640 CD1 LEU A 48 -8.753 -1.922 -3.086 1.00 0.00 C ATOM 641 CD2 LEU A 48 -8.657 -3.162 -0.928 1.00 0.00 C ATOM 0 H LEU A 48 -12.485 -1.776 -1.355 1.00 0.00 H new ATOM 0 HA LEU A 48 -10.515 -2.134 0.734 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.659 -0.525 -1.851 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -9.257 -0.509 -0.800 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.373 -2.972 -2.176 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.362 -2.804 -3.592 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.408 -1.375 -3.764 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.925 -1.280 -2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.270 -4.031 -1.460 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -7.826 -2.547 -0.583 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.243 -3.494 -0.071 1.00 0.00 H new ATOM 652 N GLY A 49 -10.368 0.109 1.829 1.00 0.00 N ATOM 653 CA GLY A 49 -10.459 1.312 2.627 1.00 0.00 C ATOM 654 C GLY A 49 -9.583 1.249 3.857 1.00 0.00 C ATOM 655 O GLY A 49 -9.019 0.196 4.173 1.00 0.00 O ATOM 0 H GLY A 49 -9.608 -0.518 2.091 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -10.170 2.171 2.021 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -11.495 1.469 2.928 1.00 0.00 H new ATOM 659 N TRP A 50 -9.470 2.371 4.550 1.00 0.00 N ATOM 660 CA TRP A 50 -8.660 2.456 5.755 1.00 0.00 C ATOM 661 C TRP A 50 -9.536 2.241 6.987 1.00 0.00 C ATOM 662 O TRP A 50 -10.570 2.894 7.141 1.00 0.00 O ATOM 663 CB TRP A 50 -7.964 3.822 5.840 1.00 0.00 C ATOM 664 CG TRP A 50 -6.938 4.059 4.764 1.00 0.00 C ATOM 665 CD1 TRP A 50 -7.147 4.592 3.522 1.00 0.00 C ATOM 666 CD2 TRP A 50 -5.537 3.777 4.843 1.00 0.00 C ATOM 667 NE1 TRP A 50 -5.957 4.653 2.828 1.00 0.00 N ATOM 668 CE2 TRP A 50 -4.960 4.154 3.616 1.00 0.00 C ATOM 669 CE3 TRP A 50 -4.715 3.238 5.832 1.00 0.00 C ATOM 670 CZ2 TRP A 50 -3.600 4.008 3.354 1.00 0.00 C ATOM 671 CZ3 TRP A 50 -3.367 3.094 5.570 1.00 0.00 C ATOM 672 CH2 TRP A 50 -2.822 3.475 4.341 1.00 0.00 C ATOM 0 H TRP A 50 -9.934 3.243 4.295 1.00 0.00 H new ATOM 0 HA TRP A 50 -7.897 1.678 5.717 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -8.719 4.606 5.786 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -7.481 3.911 6.813 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -8.104 4.917 3.141 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -5.841 5.012 1.881 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -5.125 2.939 6.785 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -3.177 4.305 2.406 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -2.721 2.679 6.330 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -1.764 3.345 4.168 1.00 0.00 H new ATOM 682 N GLY A 51 -9.130 1.321 7.852 1.00 0.00 N ATOM 683 CA GLY A 51 -9.895 1.040 9.055 1.00 0.00 C ATOM 684 C GLY A 51 -9.661 -0.367 9.558 1.00 0.00 C ATOM 685 O GLY A 51 -9.351 -0.579 10.733 1.00 0.00 O ATOM 0 H GLY A 51 -8.283 0.763 7.743 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -9.623 1.753 9.833 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.956 1.181 8.851 1.00 0.00 H new ATOM 689 N MET A 52 -9.819 -1.323 8.662 1.00 0.00 N ATOM 690 CA MET A 52 -9.629 -2.730 8.980 1.00 0.00 C ATOM 691 C MET A 52 -8.191 -3.122 8.657 1.00 0.00 C ATOM 692 O MET A 52 -7.446 -2.311 8.123 1.00 0.00 O ATOM 693 CB MET A 52 -10.629 -3.561 8.168 1.00 0.00 C ATOM 694 CG MET A 52 -10.677 -5.035 8.543 1.00 0.00 C ATOM 695 SD MET A 52 -11.044 -5.298 10.287 1.00 0.00 S ATOM 696 CE MET A 52 -10.975 -7.085 10.383 1.00 0.00 C ATOM 0 H MET A 52 -10.083 -1.148 7.692 1.00 0.00 H new ATOM 0 HA MET A 52 -9.806 -2.915 10.040 1.00 0.00 H new ATOM 0 HB2 MET A 52 -11.624 -3.134 8.295 1.00 0.00 H new ATOM 0 HB3 MET A 52 -10.378 -3.476 7.111 1.00 0.00 H new ATOM 0 HG2 MET A 52 -11.433 -5.535 7.938 1.00 0.00 H new ATOM 0 HG3 MET A 52 -9.720 -5.498 8.304 1.00 0.00 H new ATOM 0 HE1 MET A 52 -11.182 -7.403 11.405 1.00 0.00 H new ATOM 0 HE2 MET A 52 -11.719 -7.514 9.712 1.00 0.00 H new ATOM 0 HE3 MET A 52 -9.982 -7.427 10.091 1.00 0.00 H new ATOM 704 N GLN A 53 -7.792 -4.338 8.993 1.00 0.00 N ATOM 705 CA GLN A 53 -6.436 -4.783 8.710 1.00 0.00 C ATOM 706 C GLN A 53 -6.441 -6.126 7.987 1.00 0.00 C ATOM 707 O GLN A 53 -7.499 -6.741 7.825 1.00 0.00 O ATOM 708 CB GLN A 53 -5.622 -4.871 10.002 1.00 0.00 C ATOM 709 CG GLN A 53 -6.160 -5.867 11.013 1.00 0.00 C ATOM 710 CD GLN A 53 -5.320 -5.899 12.270 1.00 0.00 C ATOM 711 OE1 GLN A 53 -5.579 -5.168 13.221 1.00 0.00 O ATOM 712 NE2 GLN A 53 -4.298 -6.737 12.276 1.00 0.00 N ATOM 0 H GLN A 53 -8.381 -5.029 9.458 1.00 0.00 H new ATOM 0 HA GLN A 53 -5.968 -4.049 8.054 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -4.596 -5.142 9.753 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.588 -3.884 10.464 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -7.187 -5.607 11.269 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.185 -6.861 10.567 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -4.118 -7.327 11.464 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -3.689 -6.793 13.093 1.00 0.00 H new ATOM 719 N ASN A 54 -5.255 -6.563 7.552 1.00 0.00 N ATOM 720 CA ASN A 54 -5.093 -7.832 6.836 1.00 0.00 C ATOM 721 C ASN A 54 -5.799 -7.795 5.486 1.00 0.00 C ATOM 722 O ASN A 54 -6.512 -8.730 5.108 1.00 0.00 O ATOM 723 CB ASN A 54 -5.592 -9.024 7.670 1.00 0.00 C ATOM 724 CG ASN A 54 -4.504 -9.683 8.505 1.00 0.00 C ATOM 725 OD1 ASN A 54 -4.603 -10.866 8.841 1.00 0.00 O ATOM 726 ND2 ASN A 54 -3.450 -8.950 8.828 1.00 0.00 N ATOM 0 H ASN A 54 -4.384 -6.050 7.686 1.00 0.00 H new ATOM 0 HA ASN A 54 -4.025 -7.969 6.664 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -6.390 -8.685 8.331 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.026 -9.768 7.002 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.690 -9.361 9.370 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.398 -7.974 8.535 1.00 0.00 H new ATOM 732 N PHE A 55 -5.578 -6.717 4.744 1.00 0.00 N ATOM 733 CA PHE A 55 -6.198 -6.562 3.440 1.00 0.00 C ATOM 734 C PHE A 55 -5.531 -7.469 2.417 1.00 0.00 C ATOM 735 O PHE A 55 -6.186 -7.964 1.507 1.00 0.00 O ATOM 736 CB PHE A 55 -6.139 -5.104 2.963 1.00 0.00 C ATOM 737 CG PHE A 55 -4.807 -4.667 2.413 1.00 0.00 C ATOM 738 CD1 PHE A 55 -3.766 -4.353 3.262 1.00 0.00 C ATOM 739 CD2 PHE A 55 -4.606 -4.561 1.044 1.00 0.00 C ATOM 740 CE1 PHE A 55 -2.544 -3.941 2.765 1.00 0.00 C ATOM 741 CE2 PHE A 55 -3.385 -4.151 0.539 1.00 0.00 C ATOM 742 CZ PHE A 55 -2.354 -3.840 1.402 1.00 0.00 C ATOM 0 H PHE A 55 -4.977 -5.942 5.024 1.00 0.00 H new ATOM 0 HA PHE A 55 -7.245 -6.848 3.539 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.898 -4.958 2.194 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -6.401 -4.454 3.797 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -3.908 -4.430 4.330 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.411 -4.801 0.366 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.739 -3.698 3.443 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.239 -4.074 -0.528 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.400 -3.518 1.011 1.00 0.00 H new ATOM 751 N SER A 56 -4.235 -7.706 2.586 1.00 0.00 N ATOM 752 CA SER A 56 -3.485 -8.542 1.659 1.00 0.00 C ATOM 753 C SER A 56 -4.002 -9.974 1.670 1.00 0.00 C ATOM 754 O SER A 56 -4.021 -10.648 0.644 1.00 0.00 O ATOM 755 CB SER A 56 -2.003 -8.509 2.018 1.00 0.00 C ATOM 756 OG SER A 56 -1.536 -7.173 2.074 1.00 0.00 O ATOM 0 H SER A 56 -3.683 -7.330 3.357 1.00 0.00 H new ATOM 0 HA SER A 56 -3.619 -8.147 0.652 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.845 -8.996 2.980 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.431 -9.070 1.279 1.00 0.00 H new ATOM 0 HG SER A 56 -1.156 -6.923 1.206 1.00 0.00 H new ATOM 761 N HIS A 57 -4.449 -10.426 2.830 1.00 0.00 N ATOM 762 CA HIS A 57 -4.976 -11.776 2.961 1.00 0.00 C ATOM 763 C HIS A 57 -6.428 -11.822 2.505 1.00 0.00 C ATOM 764 O HIS A 57 -7.017 -12.893 2.367 1.00 0.00 O ATOM 765 CB HIS A 57 -4.859 -12.269 4.407 1.00 0.00 C ATOM 766 CG HIS A 57 -3.447 -12.348 4.900 1.00 0.00 C ATOM 767 ND1 HIS A 57 -2.383 -12.635 4.080 1.00 0.00 N ATOM 768 CD2 HIS A 57 -2.925 -12.159 6.134 1.00 0.00 C ATOM 769 CE1 HIS A 57 -1.268 -12.620 4.783 1.00 0.00 C ATOM 770 NE2 HIS A 57 -1.566 -12.334 6.036 1.00 0.00 N ATOM 0 H HIS A 57 -4.458 -9.881 3.692 1.00 0.00 H new ATOM 0 HA HIS A 57 -4.385 -12.436 2.326 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -5.425 -11.602 5.057 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -5.318 -13.255 4.485 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -3.475 -11.915 7.031 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -0.277 -12.810 4.398 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -0.899 -12.256 6.804 1.00 0.00 H new ATOM 778 N SER A 58 -6.991 -10.653 2.241 1.00 0.00 N ATOM 779 CA SER A 58 -8.375 -10.555 1.812 1.00 0.00 C ATOM 780 C SER A 58 -8.477 -10.086 0.358 1.00 0.00 C ATOM 781 O SER A 58 -9.569 -9.903 -0.157 1.00 0.00 O ATOM 782 CB SER A 58 -9.127 -9.592 2.733 1.00 0.00 C ATOM 783 OG SER A 58 -8.931 -9.938 4.099 1.00 0.00 O ATOM 0 H SER A 58 -6.508 -9.758 2.317 1.00 0.00 H new ATOM 0 HA SER A 58 -8.826 -11.546 1.872 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.783 -8.573 2.559 1.00 0.00 H new ATOM 0 HB3 SER A 58 -10.191 -9.614 2.497 1.00 0.00 H new ATOM 0 HG SER A 58 -8.115 -9.510 4.431 1.00 0.00 H new ATOM 788 N SER A 59 -7.344 -9.926 -0.312 1.00 0.00 N ATOM 789 CA SER A 59 -7.345 -9.466 -1.697 1.00 0.00 C ATOM 790 C SER A 59 -6.333 -10.244 -2.524 1.00 0.00 C ATOM 791 O SER A 59 -5.385 -10.816 -1.984 1.00 0.00 O ATOM 792 CB SER A 59 -7.050 -7.964 -1.768 1.00 0.00 C ATOM 793 OG SER A 59 -5.859 -7.637 -1.076 1.00 0.00 O ATOM 0 H SER A 59 -6.418 -10.106 0.076 1.00 0.00 H new ATOM 0 HA SER A 59 -8.337 -9.643 -2.112 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.962 -7.658 -2.810 1.00 0.00 H new ATOM 0 HB3 SER A 59 -7.885 -7.407 -1.342 1.00 0.00 H new ATOM 0 HG SER A 59 -6.005 -7.731 -0.111 1.00 0.00 H new ATOM 798 N GLU A 60 -6.539 -10.268 -3.833 1.00 0.00 N ATOM 799 CA GLU A 60 -5.648 -10.989 -4.726 1.00 0.00 C ATOM 800 C GLU A 60 -4.971 -10.041 -5.703 1.00 0.00 C ATOM 801 O GLU A 60 -5.551 -9.025 -6.097 1.00 0.00 O ATOM 802 CB GLU A 60 -6.416 -12.046 -5.518 1.00 0.00 C ATOM 803 CG GLU A 60 -7.285 -12.951 -4.667 1.00 0.00 C ATOM 804 CD GLU A 60 -6.524 -13.638 -3.554 1.00 0.00 C ATOM 805 OE1 GLU A 60 -5.574 -14.392 -3.850 1.00 0.00 O ATOM 806 OE2 GLU A 60 -6.875 -13.435 -2.373 1.00 0.00 O ATOM 0 H GLU A 60 -7.315 -9.797 -4.298 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.891 -11.472 -4.109 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.044 -11.546 -6.255 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.704 -12.659 -6.070 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.095 -12.364 -4.235 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -7.744 -13.707 -5.304 1.00 0.00 H new ATOM 811 N ASP A 61 -3.746 -10.400 -6.080 1.00 0.00 N ATOM 812 CA ASP A 61 -2.935 -9.632 -7.033 1.00 0.00 C ATOM 813 C ASP A 61 -2.835 -8.166 -6.632 1.00 0.00 C ATOM 814 O ASP A 61 -3.586 -7.313 -7.110 1.00 0.00 O ATOM 815 CB ASP A 61 -3.489 -9.769 -8.454 1.00 0.00 C ATOM 816 CG ASP A 61 -2.711 -8.951 -9.468 1.00 0.00 C ATOM 817 OD1 ASP A 61 -1.464 -9.072 -9.514 1.00 0.00 O ATOM 818 OD2 ASP A 61 -3.345 -8.198 -10.237 1.00 0.00 O ATOM 0 H ASP A 61 -3.281 -11.238 -5.732 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.927 -10.048 -7.014 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.469 -10.818 -8.748 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.533 -9.455 -8.464 1.00 0.00 H new ATOM 822 N ILE A 62 -1.905 -7.888 -5.739 1.00 0.00 N ATOM 823 CA ILE A 62 -1.684 -6.536 -5.252 1.00 0.00 C ATOM 824 C ILE A 62 -0.528 -5.875 -5.996 1.00 0.00 C ATOM 825 O ILE A 62 0.581 -6.412 -6.044 1.00 0.00 O ATOM 826 CB ILE A 62 -1.397 -6.541 -3.737 1.00 0.00 C ATOM 827 CG1 ILE A 62 -2.580 -7.162 -2.989 1.00 0.00 C ATOM 828 CG2 ILE A 62 -1.122 -5.129 -3.240 1.00 0.00 C ATOM 829 CD1 ILE A 62 -2.352 -7.327 -1.505 1.00 0.00 C ATOM 0 H ILE A 62 -1.284 -8.587 -5.331 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.593 -5.963 -5.435 1.00 0.00 H new ATOM 0 HB ILE A 62 -0.508 -7.142 -3.546 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.461 -6.539 -3.143 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.799 -8.138 -3.423 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -0.922 -5.153 -2.169 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.256 -4.722 -3.762 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.991 -4.500 -3.433 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.236 -7.773 -1.048 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -1.491 -7.975 -1.339 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -2.164 -6.352 -1.055 1.00 0.00 H new ATOM 840 N LYS A 63 -0.797 -4.720 -6.594 1.00 0.00 N ATOM 841 CA LYS A 63 0.217 -3.988 -7.340 1.00 0.00 C ATOM 842 C LYS A 63 -0.053 -2.483 -7.253 1.00 0.00 C ATOM 843 O LYS A 63 -1.196 -2.060 -7.119 1.00 0.00 O ATOM 844 CB LYS A 63 0.218 -4.474 -8.797 1.00 0.00 C ATOM 845 CG LYS A 63 1.488 -4.151 -9.563 1.00 0.00 C ATOM 846 CD LYS A 63 1.406 -2.805 -10.252 1.00 0.00 C ATOM 847 CE LYS A 63 2.736 -2.411 -10.863 1.00 0.00 C ATOM 848 NZ LYS A 63 2.645 -1.115 -11.577 1.00 0.00 N ATOM 0 H LYS A 63 -1.712 -4.270 -6.576 1.00 0.00 H new ATOM 0 HA LYS A 63 1.202 -4.173 -6.911 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.066 -5.553 -8.808 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -0.629 -4.027 -9.317 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.336 -4.157 -8.878 1.00 0.00 H new ATOM 0 HG3 LYS A 63 1.672 -4.928 -10.305 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.643 -2.839 -11.030 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.095 -2.046 -9.534 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.491 -2.344 -10.080 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.063 -3.187 -11.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.602 -0.768 -11.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.117 -1.244 -12.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.152 -0.423 -10.978 1.00 0.00 H new ATOM 858 N LEU A 64 1.002 -1.678 -7.307 1.00 0.00 N ATOM 859 CA LEU A 64 0.870 -0.222 -7.226 1.00 0.00 C ATOM 860 C LEU A 64 0.525 0.386 -8.584 1.00 0.00 C ATOM 861 O LEU A 64 1.293 0.280 -9.540 1.00 0.00 O ATOM 862 CB LEU A 64 2.167 0.390 -6.693 1.00 0.00 C ATOM 863 CG LEU A 64 2.435 0.129 -5.212 1.00 0.00 C ATOM 864 CD1 LEU A 64 3.866 0.499 -4.851 1.00 0.00 C ATOM 865 CD2 LEU A 64 1.456 0.914 -4.356 1.00 0.00 C ATOM 0 H LEU A 64 1.962 -2.007 -7.407 1.00 0.00 H new ATOM 0 HA LEU A 64 0.052 0.003 -6.541 1.00 0.00 H new ATOM 0 HB2 LEU A 64 3.003 -0.001 -7.274 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.140 1.467 -6.859 1.00 0.00 H new ATOM 0 HG LEU A 64 2.297 -0.935 -5.019 1.00 0.00 H new ATOM 0 HD11 LEU A 64 4.036 0.305 -3.792 1.00 0.00 H new ATOM 0 HD12 LEU A 64 4.557 -0.099 -5.445 1.00 0.00 H new ATOM 0 HD13 LEU A 64 4.032 1.556 -5.058 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.657 0.720 -3.302 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.570 1.979 -4.557 1.00 0.00 H new ATOM 0 HD23 LEU A 64 0.437 0.607 -4.594 1.00 0.00 H new ATOM 876 N GLU A 65 -0.622 1.061 -8.633 1.00 0.00 N ATOM 877 CA GLU A 65 -1.120 1.682 -9.855 1.00 0.00 C ATOM 878 C GLU A 65 -0.294 2.906 -10.229 1.00 0.00 C ATOM 879 O GLU A 65 0.328 2.955 -11.286 1.00 0.00 O ATOM 880 CB GLU A 65 -2.585 2.089 -9.657 1.00 0.00 C ATOM 881 CG GLU A 65 -3.223 2.743 -10.873 1.00 0.00 C ATOM 882 CD GLU A 65 -3.373 1.791 -12.039 1.00 0.00 C ATOM 883 OE1 GLU A 65 -4.393 1.071 -12.098 1.00 0.00 O ATOM 884 OE2 GLU A 65 -2.479 1.760 -12.907 1.00 0.00 O ATOM 0 H GLU A 65 -1.231 1.192 -7.825 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.039 0.959 -10.666 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.163 1.204 -9.390 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.648 2.777 -8.814 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.204 3.131 -10.598 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -2.617 3.595 -11.181 1.00 0.00 H new ATOM 889 N GLU A 66 -0.272 3.880 -9.332 1.00 0.00 N ATOM 890 CA GLU A 66 0.451 5.124 -9.555 1.00 0.00 C ATOM 891 C GLU A 66 1.926 4.972 -9.196 1.00 0.00 C ATOM 892 O GLU A 66 2.619 5.954 -8.930 1.00 0.00 O ATOM 893 CB GLU A 66 -0.175 6.225 -8.709 1.00 0.00 C ATOM 894 CG GLU A 66 -1.674 6.357 -8.900 1.00 0.00 C ATOM 895 CD GLU A 66 -2.060 7.095 -10.166 1.00 0.00 C ATOM 896 OE1 GLU A 66 -1.662 6.663 -11.267 1.00 0.00 O ATOM 897 OE2 GLU A 66 -2.759 8.121 -10.063 1.00 0.00 O ATOM 0 H GLU A 66 -0.752 3.832 -8.433 1.00 0.00 H new ATOM 0 HA GLU A 66 0.385 5.383 -10.612 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.033 6.027 -7.658 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.300 7.175 -8.954 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.119 5.362 -8.919 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.097 6.879 -8.042 1.00 0.00 H new ATOM 902 N GLY A 67 2.386 3.731 -9.161 1.00 0.00 N ATOM 903 CA GLY A 67 3.772 3.454 -8.839 1.00 0.00 C ATOM 904 C GLY A 67 4.115 3.760 -7.395 1.00 0.00 C ATOM 905 O GLY A 67 5.285 3.922 -7.057 1.00 0.00 O ATOM 0 H GLY A 67 1.820 2.904 -9.351 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.984 2.404 -9.043 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.416 4.042 -9.493 1.00 0.00 H new ATOM 909 N GLY A 68 3.100 3.844 -6.542 1.00 0.00 N ATOM 910 CA GLY A 68 3.343 4.127 -5.141 1.00 0.00 C ATOM 911 C GLY A 68 2.273 4.996 -4.512 1.00 0.00 C ATOM 912 O GLY A 68 1.934 4.817 -3.348 1.00 0.00 O ATOM 0 H GLY A 68 2.119 3.722 -6.794 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.407 3.187 -4.593 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.309 4.621 -5.039 1.00 0.00 H new ATOM 916 N ARG A 69 1.728 5.925 -5.287 1.00 0.00 N ATOM 917 CA ARG A 69 0.695 6.834 -4.788 1.00 0.00 C ATOM 918 C ARG A 69 -0.637 6.116 -4.570 1.00 0.00 C ATOM 919 O ARG A 69 -1.458 6.542 -3.759 1.00 0.00 O ATOM 920 CB ARG A 69 0.478 7.978 -5.780 1.00 0.00 C ATOM 921 CG ARG A 69 1.621 8.971 -5.875 1.00 0.00 C ATOM 922 CD ARG A 69 1.289 10.249 -5.123 1.00 0.00 C ATOM 923 NE ARG A 69 2.160 11.369 -5.494 1.00 0.00 N ATOM 924 CZ ARG A 69 2.155 11.968 -6.692 1.00 0.00 C ATOM 925 NH1 ARG A 69 1.423 11.488 -7.687 1.00 0.00 N ATOM 926 NH2 ARG A 69 2.893 13.049 -6.894 1.00 0.00 N ATOM 0 H ARG A 69 1.982 6.072 -6.264 1.00 0.00 H new ATOM 0 HA ARG A 69 1.043 7.222 -3.830 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.303 7.553 -6.768 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -0.428 8.515 -5.499 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.529 8.528 -5.465 1.00 0.00 H new ATOM 0 HG3 ARG A 69 1.823 9.201 -6.921 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.252 10.521 -5.318 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.375 10.067 -4.052 1.00 0.00 H new ATOM 0 HE ARG A 69 2.814 11.715 -4.792 1.00 0.00 H new ATOM 0 HH11 ARG A 69 0.855 10.653 -7.545 1.00 0.00 H new ATOM 0 HH12 ARG A 69 1.428 11.954 -8.595 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.465 13.425 -6.138 1.00 0.00 H new ATOM 0 HH22 ARG A 69 2.890 13.506 -7.806 1.00 0.00 H new ATOM 937 N LYS A 70 -0.844 5.022 -5.288 1.00 0.00 N ATOM 938 CA LYS A 70 -2.097 4.285 -5.196 1.00 0.00 C ATOM 939 C LYS A 70 -1.847 2.785 -5.310 1.00 0.00 C ATOM 940 O LYS A 70 -1.052 2.346 -6.147 1.00 0.00 O ATOM 941 CB LYS A 70 -3.012 4.744 -6.329 1.00 0.00 C ATOM 942 CG LYS A 70 -4.496 4.505 -6.106 1.00 0.00 C ATOM 943 CD LYS A 70 -5.265 4.687 -7.407 1.00 0.00 C ATOM 944 CE LYS A 70 -6.654 5.268 -7.186 1.00 0.00 C ATOM 945 NZ LYS A 70 -6.607 6.722 -6.874 1.00 0.00 N ATOM 0 H LYS A 70 -0.165 4.626 -5.938 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.563 4.479 -4.230 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -2.853 5.810 -6.492 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -2.713 4.234 -7.244 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -4.655 3.498 -5.720 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -4.873 5.197 -5.353 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -4.701 5.343 -8.070 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -5.353 3.725 -7.911 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -7.260 5.108 -8.078 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -7.143 4.738 -6.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.483 7.176 -7.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -6.513 6.854 -5.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -5.792 7.154 -7.354 1.00 0.00 H new ATOM 955 N LEU A 71 -2.523 2.013 -4.474 1.00 0.00 N ATOM 956 CA LEU A 71 -2.390 0.560 -4.476 1.00 0.00 C ATOM 957 C LEU A 71 -3.631 -0.067 -5.101 1.00 0.00 C ATOM 958 O LEU A 71 -4.755 0.239 -4.705 1.00 0.00 O ATOM 959 CB LEU A 71 -2.193 0.054 -3.038 1.00 0.00 C ATOM 960 CG LEU A 71 -1.946 -1.451 -2.871 1.00 0.00 C ATOM 961 CD1 LEU A 71 -1.110 -1.710 -1.627 1.00 0.00 C ATOM 962 CD2 LEU A 71 -3.261 -2.213 -2.772 1.00 0.00 C ATOM 0 H LEU A 71 -3.177 2.371 -3.777 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.519 0.274 -5.066 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.350 0.589 -2.600 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.076 0.321 -2.458 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.407 -1.804 -3.750 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.941 -2.781 -1.519 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.152 -1.199 -1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.637 -1.335 -0.750 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.057 -3.277 -2.654 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.825 -1.854 -1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.843 -2.054 -3.680 1.00 0.00 H new ATOM 973 N THR A 72 -3.430 -0.927 -6.081 1.00 0.00 N ATOM 974 CA THR A 72 -4.536 -1.589 -6.753 1.00 0.00 C ATOM 975 C THR A 72 -4.493 -3.095 -6.533 1.00 0.00 C ATOM 976 O THR A 72 -3.431 -3.716 -6.603 1.00 0.00 O ATOM 977 CB THR A 72 -4.538 -1.275 -8.260 1.00 0.00 C ATOM 978 OG1 THR A 72 -3.194 -1.283 -8.767 1.00 0.00 O ATOM 979 CG2 THR A 72 -5.183 0.076 -8.522 1.00 0.00 C ATOM 0 H THR A 72 -2.508 -1.186 -6.432 1.00 0.00 H new ATOM 0 HA THR A 72 -5.458 -1.203 -6.318 1.00 0.00 H new ATOM 0 HB THR A 72 -5.117 -2.043 -8.773 1.00 0.00 H new ATOM 0 HG1 THR A 72 -2.650 -1.907 -8.243 1.00 0.00 H new ATOM 0 HG21 THR A 72 -5.176 0.281 -9.592 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.212 0.064 -8.162 1.00 0.00 H new ATOM 0 HG23 THR A 72 -4.625 0.853 -8.000 1.00 0.00 H new ATOM 987 N CYS A 73 -5.652 -3.668 -6.249 1.00 0.00 N ATOM 988 CA CYS A 73 -5.774 -5.096 -6.007 1.00 0.00 C ATOM 989 C CYS A 73 -7.228 -5.516 -6.136 1.00 0.00 C ATOM 990 O CYS A 73 -8.105 -4.678 -6.347 1.00 0.00 O ATOM 991 CB CYS A 73 -5.253 -5.444 -4.609 1.00 0.00 C ATOM 992 SG CYS A 73 -6.044 -4.511 -3.278 1.00 0.00 S ATOM 0 H CYS A 73 -6.532 -3.157 -6.180 1.00 0.00 H new ATOM 0 HA CYS A 73 -5.178 -5.631 -6.746 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -5.402 -6.509 -4.431 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.179 -5.263 -4.577 1.00 0.00 H new ATOM 0 HG CYS A 73 -5.541 -4.874 -2.135 1.00 0.00 H new ATOM 997 N ARG A 74 -7.486 -6.801 -6.026 1.00 0.00 N ATOM 998 CA ARG A 74 -8.844 -7.292 -6.113 1.00 0.00 C ATOM 999 C ARG A 74 -9.290 -7.849 -4.772 1.00 0.00 C ATOM 1000 O ARG A 74 -8.948 -8.979 -4.414 1.00 0.00 O ATOM 1001 CB ARG A 74 -8.964 -8.351 -7.200 1.00 0.00 C ATOM 1002 CG ARG A 74 -10.309 -9.057 -7.217 1.00 0.00 C ATOM 1003 CD ARG A 74 -10.290 -10.265 -8.130 1.00 0.00 C ATOM 1004 NE ARG A 74 -11.529 -11.029 -8.036 1.00 0.00 N ATOM 1005 CZ ARG A 74 -11.579 -12.356 -7.953 1.00 0.00 C ATOM 1006 NH1 ARG A 74 -10.458 -13.070 -7.961 1.00 0.00 N ATOM 1007 NH2 ARG A 74 -12.749 -12.975 -7.874 1.00 0.00 N ATOM 0 H ARG A 74 -6.779 -7.521 -5.877 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.496 -6.459 -6.377 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.796 -7.884 -8.170 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.176 -9.092 -7.062 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -10.571 -9.368 -6.206 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -11.082 -8.362 -7.547 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.139 -9.941 -9.160 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.447 -10.905 -7.870 1.00 0.00 H new ATOM 0 HE ARG A 74 -12.410 -10.515 -8.034 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -9.555 -12.601 -8.031 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -10.501 -14.087 -7.897 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.614 -12.434 -7.877 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -12.784 -13.992 -7.810 1.00 0.00 H new ATOM 1018 N PRO A 75 -10.036 -7.047 -4.003 1.00 0.00 N ATOM 1019 CA PRO A 75 -10.552 -7.460 -2.701 1.00 0.00 C ATOM 1020 C PRO A 75 -11.569 -8.579 -2.854 1.00 0.00 C ATOM 1021 O PRO A 75 -12.474 -8.487 -3.680 1.00 0.00 O ATOM 1022 CB PRO A 75 -11.219 -6.193 -2.154 1.00 0.00 C ATOM 1023 CG PRO A 75 -11.515 -5.363 -3.353 1.00 0.00 C ATOM 1024 CD PRO A 75 -10.435 -5.672 -4.347 1.00 0.00 C ATOM 0 HA PRO A 75 -9.774 -7.847 -2.043 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -12.130 -6.432 -1.605 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.560 -5.667 -1.463 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -12.498 -5.601 -3.759 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.522 -4.302 -3.101 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -10.801 -5.604 -5.372 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.599 -4.978 -4.261 1.00 0.00 H new ATOM 1029 N LYS A 76 -11.403 -9.643 -2.085 1.00 0.00 N ATOM 1030 CA LYS A 76 -12.308 -10.776 -2.149 1.00 0.00 C ATOM 1031 C LYS A 76 -12.982 -11.012 -0.809 1.00 0.00 C ATOM 1032 O LYS A 76 -12.449 -10.661 0.242 1.00 0.00 O ATOM 1033 CB LYS A 76 -11.572 -12.038 -2.629 1.00 0.00 C ATOM 1034 CG LYS A 76 -10.290 -12.388 -1.870 1.00 0.00 C ATOM 1035 CD LYS A 76 -10.568 -13.029 -0.515 1.00 0.00 C ATOM 1036 CE LYS A 76 -9.670 -14.230 -0.252 1.00 0.00 C ATOM 1037 NZ LYS A 76 -8.231 -13.864 -0.145 1.00 0.00 N ATOM 0 H LYS A 76 -10.647 -9.744 -1.408 1.00 0.00 H new ATOM 0 HA LYS A 76 -13.087 -10.545 -2.876 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.256 -12.884 -2.559 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.326 -11.914 -3.683 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.689 -13.068 -2.473 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.699 -11.484 -1.726 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.422 -12.289 0.272 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.611 -13.341 -0.470 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.985 -14.718 0.670 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.797 -14.955 -1.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -7.655 -14.729 -0.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -7.953 -13.304 -0.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.079 -13.303 0.718 1.00 0.00 H new ATOM 1047 N THR A 77 -14.170 -11.593 -0.850 1.00 0.00 N ATOM 1048 CA THR A 77 -14.897 -11.890 0.362 1.00 0.00 C ATOM 1049 C THR A 77 -14.499 -13.267 0.856 1.00 0.00 C ATOM 1050 O THR A 77 -14.269 -14.178 0.053 1.00 0.00 O ATOM 1051 CB THR A 77 -16.420 -11.858 0.148 1.00 0.00 C ATOM 1052 OG1 THR A 77 -17.084 -11.874 1.415 1.00 0.00 O ATOM 1053 CG2 THR A 77 -16.876 -13.046 -0.689 1.00 0.00 C ATOM 0 H THR A 77 -14.646 -11.866 -1.710 1.00 0.00 H new ATOM 0 HA THR A 77 -14.645 -11.124 1.095 1.00 0.00 H new ATOM 0 HB THR A 77 -16.675 -10.943 -0.387 1.00 0.00 H new ATOM 0 HG1 THR A 77 -17.853 -12.479 1.373 1.00 0.00 H new ATOM 0 HG21 THR A 77 -17.956 -13.001 -0.826 1.00 0.00 H new ATOM 0 HG22 THR A 77 -16.385 -13.016 -1.662 1.00 0.00 H new ATOM 0 HG23 THR A 77 -16.613 -13.973 -0.179 1.00 0.00 H new ATOM 1061 N VAL A 78 -14.451 -13.410 2.171 1.00 0.00 N ATOM 1062 CA VAL A 78 -14.069 -14.662 2.807 1.00 0.00 C ATOM 1063 C VAL A 78 -15.146 -15.733 2.662 1.00 0.00 C ATOM 1064 O VAL A 78 -14.948 -16.875 3.074 1.00 0.00 O ATOM 1065 CB VAL A 78 -13.752 -14.451 4.298 1.00 0.00 C ATOM 1066 CG1 VAL A 78 -12.566 -13.519 4.454 1.00 0.00 C ATOM 1067 CG2 VAL A 78 -14.961 -13.902 5.040 1.00 0.00 C ATOM 0 H VAL A 78 -14.675 -12.662 2.828 1.00 0.00 H new ATOM 0 HA VAL A 78 -13.173 -15.009 2.293 1.00 0.00 H new ATOM 0 HB VAL A 78 -13.500 -15.418 4.734 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -12.351 -13.377 5.513 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.695 -13.953 3.962 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -12.798 -12.556 3.999 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -14.710 -13.762 6.091 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -15.251 -12.945 4.606 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -15.790 -14.605 4.955 1.00 0.00 H new ATOM 1077 N ASP A 79 -16.287 -15.363 2.086 1.00 0.00 N ATOM 1078 CA ASP A 79 -17.376 -16.313 1.876 1.00 0.00 C ATOM 1079 C ASP A 79 -16.931 -17.401 0.915 1.00 0.00 C ATOM 1080 O ASP A 79 -17.276 -18.570 1.075 1.00 0.00 O ATOM 1081 CB ASP A 79 -18.619 -15.624 1.307 1.00 0.00 C ATOM 1082 CG ASP A 79 -19.185 -14.569 2.226 1.00 0.00 C ATOM 1083 OD1 ASP A 79 -19.734 -14.924 3.287 1.00 0.00 O ATOM 1084 OD2 ASP A 79 -19.085 -13.374 1.889 1.00 0.00 O ATOM 0 H ASP A 79 -16.481 -14.417 1.758 1.00 0.00 H new ATOM 0 HA ASP A 79 -17.631 -16.745 2.844 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -18.367 -15.167 0.350 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -19.385 -16.374 1.110 1.00 0.00 H new ATOM 1088 N GLY A 80 -16.146 -17.001 -0.074 1.00 0.00 N ATOM 1089 CA GLY A 80 -15.656 -17.942 -1.060 1.00 0.00 C ATOM 1090 C GLY A 80 -14.503 -17.392 -1.877 1.00 0.00 C ATOM 1091 O GLY A 80 -13.927 -18.106 -2.697 1.00 0.00 O ATOM 0 H GLY A 80 -15.839 -16.038 -0.212 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.336 -18.854 -0.557 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.471 -18.217 -1.730 1.00 0.00 H new ATOM 1095 N GLY A 81 -14.165 -16.124 -1.667 1.00 0.00 N ATOM 1096 CA GLY A 81 -13.071 -15.521 -2.401 1.00 0.00 C ATOM 1097 C GLY A 81 -13.545 -14.812 -3.644 1.00 0.00 C ATOM 1098 O GLY A 81 -12.783 -14.606 -4.585 1.00 0.00 O ATOM 0 H GLY A 81 -14.629 -15.505 -1.002 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -12.550 -14.813 -1.757 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.351 -16.292 -2.676 1.00 0.00 H new ATOM 1102 N PHE A 82 -14.808 -14.434 -3.645 1.00 0.00 N ATOM 1103 CA PHE A 82 -15.393 -13.750 -4.792 1.00 0.00 C ATOM 1104 C PHE A 82 -15.704 -12.315 -4.421 1.00 0.00 C ATOM 1105 O PHE A 82 -16.014 -12.051 -3.266 1.00 0.00 O ATOM 1106 CB PHE A 82 -16.656 -14.474 -5.281 1.00 0.00 C ATOM 1107 CG PHE A 82 -17.681 -14.727 -4.210 1.00 0.00 C ATOM 1108 CD1 PHE A 82 -17.604 -15.860 -3.419 1.00 0.00 C ATOM 1109 CD2 PHE A 82 -18.720 -13.836 -4.000 1.00 0.00 C ATOM 1110 CE1 PHE A 82 -18.540 -16.101 -2.435 1.00 0.00 C ATOM 1111 CE2 PHE A 82 -19.662 -14.071 -3.015 1.00 0.00 C ATOM 1112 CZ PHE A 82 -19.570 -15.206 -2.232 1.00 0.00 C ATOM 0 H PHE A 82 -15.452 -14.586 -2.868 1.00 0.00 H new ATOM 0 HA PHE A 82 -14.674 -13.758 -5.611 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -17.115 -13.883 -6.074 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -16.366 -15.428 -5.722 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -16.800 -16.565 -3.574 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -18.795 -12.949 -4.611 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -18.467 -16.989 -1.824 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -20.468 -13.369 -2.858 1.00 0.00 H new ATOM 0 HZ PHE A 82 -20.304 -15.392 -1.462 1.00 0.00 H new ATOM 1121 N ARG A 83 -15.612 -11.400 -5.384 1.00 0.00 N ATOM 1122 CA ARG A 83 -15.888 -9.985 -5.137 1.00 0.00 C ATOM 1123 C ARG A 83 -15.580 -9.135 -6.371 1.00 0.00 C ATOM 1124 O ARG A 83 -15.810 -9.568 -7.502 1.00 0.00 O ATOM 1125 CB ARG A 83 -15.064 -9.496 -3.957 1.00 0.00 C ATOM 1126 CG ARG A 83 -15.830 -8.640 -2.971 1.00 0.00 C ATOM 1127 CD ARG A 83 -16.721 -9.493 -2.082 1.00 0.00 C ATOM 1128 NE ARG A 83 -18.016 -9.783 -2.699 1.00 0.00 N ATOM 1129 CZ ARG A 83 -19.078 -10.234 -2.029 1.00 0.00 C ATOM 1130 NH1 ARG A 83 -19.047 -10.326 -0.705 1.00 0.00 N ATOM 1131 NH2 ARG A 83 -20.186 -10.567 -2.680 1.00 0.00 N ATOM 0 H ARG A 83 -15.348 -11.614 -6.346 1.00 0.00 H new ATOM 0 HA ARG A 83 -16.949 -9.882 -4.910 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -14.658 -10.360 -3.431 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -14.216 -8.924 -4.334 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -15.130 -8.075 -2.355 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -16.438 -7.914 -3.511 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -16.212 -10.430 -1.855 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -16.881 -8.980 -1.134 1.00 0.00 H new ATOM 0 HE ARG A 83 -18.113 -9.631 -3.703 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -18.208 -10.051 -0.194 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -19.862 -10.672 -0.199 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -20.227 -10.478 -3.695 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -20.996 -10.911 -2.165 1.00 0.00 H new ATOM 1142 N GLU A 84 -15.069 -7.925 -6.148 1.00 0.00 N ATOM 1143 CA GLU A 84 -14.739 -7.007 -7.229 1.00 0.00 C ATOM 1144 C GLU A 84 -13.287 -6.557 -7.125 1.00 0.00 C ATOM 1145 O GLU A 84 -12.577 -6.926 -6.193 1.00 0.00 O ATOM 1146 CB GLU A 84 -15.648 -5.775 -7.169 1.00 0.00 C ATOM 1147 CG GLU A 84 -15.509 -4.960 -5.888 1.00 0.00 C ATOM 1148 CD GLU A 84 -16.022 -3.540 -6.045 1.00 0.00 C ATOM 1149 OE1 GLU A 84 -17.127 -3.360 -6.600 1.00 0.00 O ATOM 1150 OE2 GLU A 84 -15.306 -2.593 -5.647 1.00 0.00 O ATOM 0 H GLU A 84 -14.874 -7.558 -5.217 1.00 0.00 H new ATOM 0 HA GLU A 84 -14.887 -7.529 -8.175 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.428 -5.132 -8.021 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -16.684 -6.096 -7.272 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -16.056 -5.454 -5.085 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -14.461 -4.934 -5.590 1.00 0.00 H new ATOM 1155 N ARG A 85 -12.850 -5.772 -8.097 1.00 0.00 N ATOM 1156 CA ARG A 85 -11.502 -5.231 -8.102 1.00 0.00 C ATOM 1157 C ARG A 85 -11.584 -3.739 -7.813 1.00 0.00 C ATOM 1158 O ARG A 85 -12.548 -3.082 -8.210 1.00 0.00 O ATOM 1159 CB ARG A 85 -10.817 -5.488 -9.442 1.00 0.00 C ATOM 1160 CG ARG A 85 -9.429 -4.887 -9.547 1.00 0.00 C ATOM 1161 CD ARG A 85 -8.799 -5.177 -10.896 1.00 0.00 C ATOM 1162 NE ARG A 85 -7.582 -4.400 -11.107 1.00 0.00 N ATOM 1163 CZ ARG A 85 -6.666 -4.684 -12.032 1.00 0.00 C ATOM 1164 NH1 ARG A 85 -6.764 -5.798 -12.755 1.00 0.00 N ATOM 1165 NH2 ARG A 85 -5.641 -3.863 -12.216 1.00 0.00 N ATOM 0 H ARG A 85 -13.416 -5.494 -8.899 1.00 0.00 H new ATOM 0 HA ARG A 85 -10.904 -5.724 -7.335 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -10.750 -6.564 -9.604 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -11.439 -5.083 -10.241 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -9.485 -3.809 -9.395 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -8.797 -5.288 -8.755 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -8.568 -6.240 -10.968 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -9.515 -4.952 -11.687 1.00 0.00 H new ATOM 0 HE ARG A 85 -7.423 -3.589 -10.509 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -7.543 -6.438 -12.602 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -6.060 -6.011 -13.462 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -5.556 -3.018 -11.651 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -4.937 -4.076 -12.923 1.00 0.00 H new ATOM 1176 N GLN A 86 -10.575 -3.200 -7.151 1.00 0.00 N ATOM 1177 CA GLN A 86 -10.595 -1.785 -6.776 1.00 0.00 C ATOM 1178 C GLN A 86 -9.189 -1.263 -6.445 1.00 0.00 C ATOM 1179 O GLN A 86 -8.228 -2.029 -6.383 1.00 0.00 O ATOM 1180 CB GLN A 86 -11.532 -1.628 -5.565 1.00 0.00 C ATOM 1181 CG GLN A 86 -11.758 -0.195 -5.109 1.00 0.00 C ATOM 1182 CD GLN A 86 -12.612 -0.106 -3.861 1.00 0.00 C ATOM 1183 OE1 GLN A 86 -12.431 0.791 -3.041 1.00 0.00 O ATOM 1184 NE2 GLN A 86 -13.556 -1.024 -3.709 1.00 0.00 N ATOM 0 H GLN A 86 -9.739 -3.708 -6.862 1.00 0.00 H new ATOM 0 HA GLN A 86 -10.956 -1.193 -7.617 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -12.497 -2.071 -5.811 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -11.122 -2.198 -4.731 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -10.794 0.278 -4.919 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -12.236 0.366 -5.912 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -13.676 -1.754 -4.412 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -14.163 -1.001 -2.889 1.00 0.00 H new ATOM 1191 N GLY A 87 -9.074 0.046 -6.257 1.00 0.00 N ATOM 1192 CA GLY A 87 -7.803 0.652 -5.910 1.00 0.00 C ATOM 1193 C GLY A 87 -7.951 1.608 -4.742 1.00 0.00 C ATOM 1194 O GLY A 87 -8.950 2.324 -4.648 1.00 0.00 O ATOM 0 H GLY A 87 -9.848 0.705 -6.340 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.083 -0.126 -5.657 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.405 1.186 -6.772 1.00 0.00 H new ATOM 1198 N ILE A 88 -6.967 1.622 -3.856 1.00 0.00 N ATOM 1199 CA ILE A 88 -6.998 2.483 -2.682 1.00 0.00 C ATOM 1200 C ILE A 88 -5.798 3.433 -2.686 1.00 0.00 C ATOM 1201 O ILE A 88 -4.681 3.045 -3.044 1.00 0.00 O ATOM 1202 CB ILE A 88 -7.025 1.653 -1.371 1.00 0.00 C ATOM 1203 CG1 ILE A 88 -6.993 2.573 -0.145 1.00 0.00 C ATOM 1204 CG2 ILE A 88 -5.868 0.661 -1.333 1.00 0.00 C ATOM 1205 CD1 ILE A 88 -7.115 1.835 1.168 1.00 0.00 C ATOM 0 H ILE A 88 -6.131 1.042 -3.928 1.00 0.00 H new ATOM 0 HA ILE A 88 -7.915 3.071 -2.724 1.00 0.00 H new ATOM 0 HB ILE A 88 -7.956 1.087 -1.347 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -6.061 3.138 -0.149 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -7.805 3.296 -0.223 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -5.908 0.091 -0.405 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -5.945 -0.020 -2.181 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.923 1.202 -1.386 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -7.085 2.549 1.991 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -8.060 1.292 1.194 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -6.289 1.131 1.268 1.00 0.00 H new ATOM 1216 N ASP A 89 -6.045 4.681 -2.316 1.00 0.00 N ATOM 1217 CA ASP A 89 -5.001 5.701 -2.282 1.00 0.00 C ATOM 1218 C ASP A 89 -4.095 5.519 -1.077 1.00 0.00 C ATOM 1219 O ASP A 89 -4.564 5.215 0.021 1.00 0.00 O ATOM 1220 CB ASP A 89 -5.608 7.106 -2.231 1.00 0.00 C ATOM 1221 CG ASP A 89 -6.452 7.431 -3.440 1.00 0.00 C ATOM 1222 OD1 ASP A 89 -5.883 7.587 -4.536 1.00 0.00 O ATOM 1223 OD2 ASP A 89 -7.688 7.549 -3.297 1.00 0.00 O ATOM 0 H ASP A 89 -6.966 5.016 -2.033 1.00 0.00 H new ATOM 0 HA ASP A 89 -4.416 5.589 -3.195 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.219 7.199 -1.333 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -4.806 7.839 -2.148 1.00 0.00 H new ATOM 1227 N LEU A 90 -2.800 5.719 -1.279 1.00 0.00 N ATOM 1228 CA LEU A 90 -1.834 5.589 -0.198 1.00 0.00 C ATOM 1229 C LEU A 90 -1.288 6.952 0.190 1.00 0.00 C ATOM 1230 O LEU A 90 -0.121 7.098 0.554 1.00 0.00 O ATOM 1231 CB LEU A 90 -0.684 4.699 -0.617 1.00 0.00 C ATOM 1232 CG LEU A 90 -1.078 3.384 -1.266 1.00 0.00 C ATOM 1233 CD1 LEU A 90 0.171 2.610 -1.612 1.00 0.00 C ATOM 1234 CD2 LEU A 90 -1.988 2.580 -0.349 1.00 0.00 C ATOM 0 H LEU A 90 -2.395 5.972 -2.180 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.344 5.143 0.656 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -0.054 5.253 -1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -0.076 4.483 0.261 1.00 0.00 H new ATOM 0 HG LEU A 90 -1.636 3.584 -2.181 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.105 1.664 -2.079 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.780 3.192 -2.304 1.00 0.00 H new ATOM 0 HD13 LEU A 90 0.741 2.414 -0.704 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.257 1.642 -0.835 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -1.468 2.368 0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -2.891 3.153 -0.140 1.00 0.00 H new ATOM 1245 N ASN A 91 -2.155 7.940 0.124 1.00 0.00 N ATOM 1246 CA ASN A 91 -1.797 9.317 0.459 1.00 0.00 C ATOM 1247 C ASN A 91 -1.620 9.473 1.959 1.00 0.00 C ATOM 1248 O ASN A 91 -1.223 10.529 2.452 1.00 0.00 O ATOM 1249 CB ASN A 91 -2.857 10.288 -0.063 1.00 0.00 C ATOM 1250 CG ASN A 91 -2.587 10.721 -1.493 1.00 0.00 C ATOM 1251 OD1 ASN A 91 -3.098 9.966 -2.461 1.00 0.00 O flip ATOM 1252 ND2 ASN A 91 -1.911 11.727 -1.727 1.00 0.00 N flip ATOM 0 H ASN A 91 -3.127 7.820 -0.162 1.00 0.00 H new ATOM 0 HA ASN A 91 -0.848 9.553 -0.023 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -3.838 9.816 -0.008 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -2.890 11.167 0.581 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -1.536 12.280 -0.956 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -1.727 12.005 -2.691 1.00 0.00 H new ATOM 1258 N ARG A 92 -1.922 8.406 2.682 1.00 0.00 N ATOM 1259 CA ARG A 92 -1.780 8.388 4.124 1.00 0.00 C ATOM 1260 C ARG A 92 -0.381 7.930 4.503 1.00 0.00 C ATOM 1261 O ARG A 92 0.003 7.962 5.666 1.00 0.00 O ATOM 1262 CB ARG A 92 -2.810 7.455 4.754 1.00 0.00 C ATOM 1263 CG ARG A 92 -4.233 7.964 4.678 1.00 0.00 C ATOM 1264 CD ARG A 92 -5.094 7.298 5.732 1.00 0.00 C ATOM 1265 NE ARG A 92 -4.757 7.763 7.075 1.00 0.00 N ATOM 1266 CZ ARG A 92 -5.617 7.810 8.091 1.00 0.00 C ATOM 1267 NH1 ARG A 92 -6.893 7.491 7.908 1.00 0.00 N ATOM 1268 NH2 ARG A 92 -5.197 8.211 9.283 1.00 0.00 N ATOM 0 H ARG A 92 -2.271 7.533 2.285 1.00 0.00 H new ATOM 0 HA ARG A 92 -1.945 9.399 4.498 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -2.756 6.485 4.260 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -2.548 7.295 5.800 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -4.247 9.045 4.819 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.643 7.767 3.688 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.145 7.505 5.528 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -4.965 6.217 5.678 1.00 0.00 H new ATOM 0 HE ARG A 92 -3.800 8.072 7.246 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -7.220 7.208 6.985 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -7.546 7.529 8.691 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -4.222 8.480 9.416 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -5.849 8.250 10.067 1.00 0.00 H new ATOM 1279 N ILE A 93 0.375 7.490 3.514 1.00 0.00 N ATOM 1280 CA ILE A 93 1.725 7.018 3.749 1.00 0.00 C ATOM 1281 C ILE A 93 2.719 8.080 3.298 1.00 0.00 C ATOM 1282 O ILE A 93 2.987 8.238 2.105 1.00 0.00 O ATOM 1283 CB ILE A 93 1.978 5.679 3.018 1.00 0.00 C ATOM 1284 CG1 ILE A 93 0.833 4.705 3.303 1.00 0.00 C ATOM 1285 CG2 ILE A 93 3.300 5.059 3.452 1.00 0.00 C ATOM 1286 CD1 ILE A 93 0.599 4.463 4.782 1.00 0.00 C ATOM 0 H ILE A 93 0.076 7.450 2.540 1.00 0.00 H new ATOM 0 HA ILE A 93 1.857 6.838 4.816 1.00 0.00 H new ATOM 0 HB ILE A 93 2.028 5.880 1.948 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.083 5.093 2.857 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.046 3.753 2.816 1.00 0.00 H new ATOM 0 HG21 ILE A 93 3.452 4.119 2.922 1.00 0.00 H new ATOM 0 HG22 ILE A 93 4.116 5.743 3.219 1.00 0.00 H new ATOM 0 HG23 ILE A 93 3.279 4.871 4.526 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -0.227 3.763 4.910 1.00 0.00 H new ATOM 0 HD12 ILE A 93 1.501 4.046 5.230 1.00 0.00 H new ATOM 0 HD13 ILE A 93 0.354 5.406 5.271 1.00 0.00 H new ATOM 1297 N GLN A 94 3.239 8.826 4.258 1.00 0.00 N ATOM 1298 CA GLN A 94 4.180 9.894 3.972 1.00 0.00 C ATOM 1299 C GLN A 94 5.526 9.604 4.627 1.00 0.00 C ATOM 1300 O GLN A 94 5.595 8.996 5.693 1.00 0.00 O ATOM 1301 CB GLN A 94 3.619 11.224 4.492 1.00 0.00 C ATOM 1302 CG GLN A 94 4.400 12.460 4.060 1.00 0.00 C ATOM 1303 CD GLN A 94 4.181 12.823 2.602 1.00 0.00 C ATOM 1304 OE1 GLN A 94 3.241 13.544 2.269 1.00 0.00 O ATOM 1305 NE2 GLN A 94 5.059 12.357 1.727 1.00 0.00 N ATOM 0 H GLN A 94 3.023 8.710 5.248 1.00 0.00 H new ATOM 0 HA GLN A 94 4.326 9.960 2.894 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.588 11.325 4.152 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.593 11.190 5.581 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.109 13.304 4.686 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.463 12.289 4.230 1.00 0.00 H new ATOM 0 HE21 GLN A 94 5.825 11.762 2.041 1.00 0.00 H new ATOM 0 HE22 GLN A 94 4.969 12.593 0.739 1.00 0.00 H new ATOM 1312 N ASN A 95 6.589 10.028 3.974 1.00 0.00 N ATOM 1313 CA ASN A 95 7.935 9.838 4.486 1.00 0.00 C ATOM 1314 C ASN A 95 8.396 11.077 5.249 1.00 0.00 C ATOM 1315 O ASN A 95 8.501 12.165 4.687 1.00 0.00 O ATOM 1316 CB ASN A 95 8.914 9.519 3.343 1.00 0.00 C ATOM 1317 CG ASN A 95 8.875 10.532 2.207 1.00 0.00 C ATOM 1318 OD1 ASN A 95 7.823 11.084 1.871 1.00 0.00 O ATOM 1319 ND2 ASN A 95 10.025 10.785 1.604 1.00 0.00 N ATOM 0 H ASN A 95 6.547 10.512 3.077 1.00 0.00 H new ATOM 0 HA ASN A 95 7.921 8.991 5.172 1.00 0.00 H new ATOM 0 HB2 ASN A 95 9.926 9.475 3.745 1.00 0.00 H new ATOM 0 HB3 ASN A 95 8.685 8.530 2.945 1.00 0.00 H new ATOM 0 HD21 ASN A 95 10.061 11.455 0.835 1.00 0.00 H new ATOM 0 HD22 ASN A 95 10.875 10.311 1.908 1.00 0.00 H new ATOM 1325 N VAL A 96 8.648 10.900 6.537 1.00 0.00 N ATOM 1326 CA VAL A 96 9.101 11.978 7.402 1.00 0.00 C ATOM 1327 C VAL A 96 10.607 11.865 7.623 1.00 0.00 C ATOM 1328 O VAL A 96 11.071 10.971 8.336 1.00 0.00 O ATOM 1329 CB VAL A 96 8.381 11.946 8.769 1.00 0.00 C ATOM 1330 CG1 VAL A 96 8.815 13.118 9.639 1.00 0.00 C ATOM 1331 CG2 VAL A 96 6.871 11.946 8.582 1.00 0.00 C ATOM 0 H VAL A 96 8.544 10.004 7.012 1.00 0.00 H new ATOM 0 HA VAL A 96 8.865 12.922 6.911 1.00 0.00 H new ATOM 0 HB VAL A 96 8.663 11.024 9.278 1.00 0.00 H new ATOM 0 HG11 VAL A 96 8.294 13.073 10.596 1.00 0.00 H new ATOM 0 HG12 VAL A 96 9.891 13.067 9.808 1.00 0.00 H new ATOM 0 HG13 VAL A 96 8.571 14.054 9.137 1.00 0.00 H new ATOM 0 HG21 VAL A 96 6.384 11.923 9.557 1.00 0.00 H new ATOM 0 HG22 VAL A 96 6.571 12.847 8.047 1.00 0.00 H new ATOM 0 HG23 VAL A 96 6.575 11.068 8.008 1.00 0.00 H new ATOM 1341 N ASN A 97 11.353 12.766 6.993 1.00 0.00 N ATOM 1342 CA ASN A 97 12.812 12.792 7.083 1.00 0.00 C ATOM 1343 C ASN A 97 13.401 11.454 6.656 1.00 0.00 C ATOM 1344 O ASN A 97 14.326 10.941 7.279 1.00 0.00 O ATOM 1345 CB ASN A 97 13.280 13.163 8.495 1.00 0.00 C ATOM 1346 CG ASN A 97 13.445 14.662 8.685 1.00 0.00 C ATOM 1347 OD1 ASN A 97 14.529 15.210 8.483 1.00 0.00 O ATOM 1348 ND2 ASN A 97 12.376 15.337 9.070 1.00 0.00 N ATOM 0 H ASN A 97 10.964 13.502 6.403 1.00 0.00 H new ATOM 0 HA ASN A 97 13.172 13.562 6.401 1.00 0.00 H new ATOM 0 HB2 ASN A 97 12.561 12.786 9.222 1.00 0.00 H new ATOM 0 HB3 ASN A 97 14.230 12.669 8.700 1.00 0.00 H new ATOM 0 HD21 ASN A 97 12.433 16.346 9.209 1.00 0.00 H new ATOM 0 HD22 ASN A 97 11.494 14.849 9.228 1.00 0.00 H new ATOM 1354 N GLY A 98 12.847 10.894 5.589 1.00 0.00 N ATOM 1355 CA GLY A 98 13.319 9.626 5.077 1.00 0.00 C ATOM 1356 C GLY A 98 12.618 8.430 5.694 1.00 0.00 C ATOM 1357 O GLY A 98 12.649 7.338 5.134 1.00 0.00 O ATOM 0 H GLY A 98 12.072 11.301 5.066 1.00 0.00 H new ATOM 0 HA2 GLY A 98 13.178 9.603 3.996 1.00 0.00 H new ATOM 0 HA3 GLY A 98 14.390 9.544 5.260 1.00 0.00 H new ATOM 1361 N ARG A 99 11.976 8.628 6.835 1.00 0.00 N ATOM 1362 CA ARG A 99 11.285 7.537 7.516 1.00 0.00 C ATOM 1363 C ARG A 99 9.856 7.407 7.020 1.00 0.00 C ATOM 1364 O ARG A 99 9.085 8.356 7.087 1.00 0.00 O ATOM 1365 CB ARG A 99 11.274 7.748 9.034 1.00 0.00 C ATOM 1366 CG ARG A 99 12.617 7.526 9.710 1.00 0.00 C ATOM 1367 CD ARG A 99 13.613 8.632 9.402 1.00 0.00 C ATOM 1368 NE ARG A 99 14.880 8.403 10.095 1.00 0.00 N ATOM 1369 CZ ARG A 99 15.868 9.291 10.180 1.00 0.00 C ATOM 1370 NH1 ARG A 99 15.776 10.459 9.562 1.00 0.00 N ATOM 1371 NH2 ARG A 99 16.960 8.995 10.872 1.00 0.00 N ATOM 0 H ARG A 99 11.917 9.529 7.310 1.00 0.00 H new ATOM 0 HA ARG A 99 11.830 6.620 7.290 1.00 0.00 H new ATOM 0 HB2 ARG A 99 10.939 8.764 9.245 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.542 7.072 9.477 1.00 0.00 H new ATOM 0 HG2 ARG A 99 12.471 7.462 10.788 1.00 0.00 H new ATOM 0 HG3 ARG A 99 13.029 6.570 9.387 1.00 0.00 H new ATOM 0 HD2 ARG A 99 13.786 8.682 8.327 1.00 0.00 H new ATOM 0 HD3 ARG A 99 13.198 9.594 9.703 1.00 0.00 H new ATOM 0 HE ARG A 99 15.017 7.498 10.546 1.00 0.00 H new ATOM 0 HH11 ARG A 99 14.944 10.683 9.016 1.00 0.00 H new ATOM 0 HH12 ARG A 99 16.537 11.134 9.632 1.00 0.00 H new ATOM 0 HH21 ARG A 99 17.040 8.090 11.336 1.00 0.00 H new ATOM 0 HH22 ARG A 99 17.720 9.672 10.940 1.00 0.00 H new ATOM 1382 N LEU A 100 9.501 6.234 6.527 1.00 0.00 N ATOM 1383 CA LEU A 100 8.150 6.005 6.037 1.00 0.00 C ATOM 1384 C LEU A 100 7.218 5.822 7.225 1.00 0.00 C ATOM 1385 O LEU A 100 7.350 4.857 7.977 1.00 0.00 O ATOM 1386 CB LEU A 100 8.109 4.773 5.133 1.00 0.00 C ATOM 1387 CG LEU A 100 7.125 4.865 3.969 1.00 0.00 C ATOM 1388 CD1 LEU A 100 7.508 6.017 3.063 1.00 0.00 C ATOM 1389 CD2 LEU A 100 7.092 3.562 3.187 1.00 0.00 C ATOM 0 H LEU A 100 10.123 5.429 6.455 1.00 0.00 H new ATOM 0 HA LEU A 100 7.827 6.864 5.449 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.108 4.600 4.733 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.853 3.904 5.739 1.00 0.00 H new ATOM 0 HG LEU A 100 6.127 5.044 4.368 1.00 0.00 H new ATOM 0 HD11 LEU A 100 6.803 6.078 2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 100 7.484 6.948 3.629 1.00 0.00 H new ATOM 0 HD13 LEU A 100 8.513 5.855 2.673 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.384 3.650 2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 100 8.085 3.350 2.792 1.00 0.00 H new ATOM 0 HD23 LEU A 100 6.783 2.750 3.845 1.00 0.00 H new ATOM 1400 N VAL A 101 6.287 6.750 7.404 1.00 0.00 N ATOM 1401 CA VAL A 101 5.362 6.693 8.527 1.00 0.00 C ATOM 1402 C VAL A 101 3.914 6.836 8.063 1.00 0.00 C ATOM 1403 O VAL A 101 3.620 7.558 7.109 1.00 0.00 O ATOM 1404 CB VAL A 101 5.673 7.812 9.554 1.00 0.00 C ATOM 1405 CG1 VAL A 101 4.788 7.693 10.788 1.00 0.00 C ATOM 1406 CG2 VAL A 101 7.142 7.798 9.953 1.00 0.00 C ATOM 0 H VAL A 101 6.153 7.550 6.786 1.00 0.00 H new ATOM 0 HA VAL A 101 5.490 5.718 8.998 1.00 0.00 H new ATOM 0 HB VAL A 101 5.457 8.765 9.071 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.031 8.492 11.488 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.741 7.774 10.494 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.957 6.728 11.266 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.331 8.593 10.674 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.388 6.836 10.402 1.00 0.00 H new ATOM 0 HG23 VAL A 101 7.761 7.955 9.069 1.00 0.00 H new ATOM 1416 N PHE A 102 3.018 6.131 8.736 1.00 0.00 N ATOM 1417 CA PHE A 102 1.602 6.195 8.427 1.00 0.00 C ATOM 1418 C PHE A 102 0.983 7.400 9.116 1.00 0.00 C ATOM 1419 O PHE A 102 1.187 7.618 10.312 1.00 0.00 O ATOM 1420 CB PHE A 102 0.897 4.908 8.863 1.00 0.00 C ATOM 1421 CG PHE A 102 -0.596 5.046 8.986 1.00 0.00 C ATOM 1422 CD1 PHE A 102 -1.390 5.257 7.867 1.00 0.00 C ATOM 1423 CD2 PHE A 102 -1.202 4.971 10.229 1.00 0.00 C ATOM 1424 CE1 PHE A 102 -2.757 5.387 7.993 1.00 0.00 C ATOM 1425 CE2 PHE A 102 -2.569 5.102 10.358 1.00 0.00 C ATOM 1426 CZ PHE A 102 -3.349 5.308 9.238 1.00 0.00 C ATOM 0 H PHE A 102 3.251 5.504 9.506 1.00 0.00 H new ATOM 0 HA PHE A 102 1.479 6.299 7.349 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.122 4.120 8.144 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.303 4.589 9.823 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -0.934 5.320 6.890 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -0.597 4.808 11.108 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.366 5.551 7.116 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -3.028 5.043 11.334 1.00 0.00 H new ATOM 0 HZ PHE A 102 -4.420 5.407 9.335 1.00 0.00 H new ATOM 1435 N GLN A 103 0.237 8.176 8.358 1.00 0.00 N ATOM 1436 CA GLN A 103 -0.411 9.363 8.879 1.00 0.00 C ATOM 1437 C GLN A 103 -1.816 9.493 8.301 1.00 0.00 C ATOM 1438 O GLN A 103 -2.775 9.101 8.988 1.00 0.00 O ATOM 1439 CB GLN A 103 0.433 10.590 8.540 1.00 0.00 C ATOM 1440 CG GLN A 103 -0.093 11.893 9.128 1.00 0.00 C ATOM 1441 CD GLN A 103 0.768 13.092 8.765 1.00 0.00 C ATOM 1442 OE1 GLN A 103 2.064 12.871 8.600 1.00 0.00 O flip ATOM 1443 NE2 GLN A 103 0.273 14.214 8.641 1.00 0.00 N flip ATOM 1444 OXT GLN A 103 -1.954 9.963 7.154 1.00 0.00 O ATOM 0 H GLN A 103 0.063 8.004 7.368 1.00 0.00 H new ATOM 0 HA GLN A 103 -0.499 9.285 9.963 1.00 0.00 H new ATOM 0 HB2 GLN A 103 1.450 10.428 8.898 1.00 0.00 H new ATOM 0 HB3 GLN A 103 0.489 10.690 7.456 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -1.110 12.061 8.775 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -0.143 11.803 10.213 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -0.729 14.347 8.775 1.00 0.00 H new ATOM 0 HE22 GLN A 103 0.866 15.010 8.404 1.00 0.00 H new TER 1451 GLN A 103