USER MOD reduce.3.24.130724 H: found=0, std=0, add=892, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 890 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 113 ASN : amide:sc= -0.133 K(o=-0.36,f=-2.5!) USER MOD Set 1.2: A 114 ASN : amide:sc= -0.232 K(o=-0.36,f=-7.4!) USER MOD Set 2.1: A 33 ASN : amide:sc= 0 X(o=-2.1,f=-2.1) USER MOD Set 2.2: A 102 CYS SG : rot -140:sc= -2.07! USER MOD Set 3.1: A 75 ASN : amide:sc= 0 X(o=-0.66,f=-0.61) USER MOD Set 3.2: A 81 GLN : amide:sc= -0.665 X(o=-0.66,f=-0.61) USER MOD Set 4.1: A 46 SER OG : rot 106:sc= -0.178 USER MOD Set 4.2: A 49 GLN : amide:sc= 0.432 X(o=0.25,f=-0.024) USER MOD Set 5.1: A 18 THR OG1 : rot 180:sc= 0 USER MOD Set 5.2: A 19 ASN : amide:sc= -3.07! C(o=-3.1!,f=-3.2!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.116 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -3.78! C(o=-3.8!,f=-3.4!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 138:sc= -3.36 (180deg=-4.77!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 TYR OH : rot 139:sc= -0.974 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.437 USER MOD Single : A 25 GLN :FLIP amide:sc= -0.0454 F(o=-1.8!,f=-0.045) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.0516 K(o=-0.052,f=-1.9!) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -0.188 K(o=-0.19,f=-0.91) USER MOD Single : A 45 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.33) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 HIS :FLIP no HD1:sc= -3 F(o=-5.2!,f=-3) USER MOD Single : A 71 THR OG1 : rot -33:sc= -1.8! USER MOD Single : A 73 THR OG1 : rot 30:sc= 0.211 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 GLN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 94 HIS :FLIP no HD1:sc= 0.0448 F(o=-0.6,f=0.045) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.152 K(o=-0.15,f=-2!) USER MOD Single : A 103 THR OG1 : rot 30:sc= 0.667 USER MOD Single : A 104 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 105 HIS : no HD1:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 106 HIS :FLIP no HE2:sc= -2.28 F(o=-4!,f=-2.3) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ -152:sc= -0.338 (180deg=-1.57!) USER MOD Single : A 115 SER OG : rot 15:sc= 0.973 USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.370 7.101 12.723 1.00 0.00 N ATOM 2 CA GLY A 1 -16.329 6.244 12.187 1.00 0.00 C ATOM 3 C GLY A 1 -16.276 4.895 12.877 1.00 0.00 C ATOM 4 O GLY A 1 -17.306 4.250 13.073 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.365 8.010 12.218 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.295 6.642 12.600 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.197 7.266 13.735 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.497 6.097 11.120 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -15.364 6.740 12.292 1.00 0.00 H new ATOM 8 N SER A 2 -15.073 4.467 13.245 1.00 0.00 N ATOM 9 CA SER A 2 -14.889 3.184 13.912 1.00 0.00 C ATOM 10 C SER A 2 -13.992 3.332 15.137 1.00 0.00 C ATOM 11 O SER A 2 -13.194 4.265 15.227 1.00 0.00 O ATOM 12 CB SER A 2 -14.286 2.163 12.944 1.00 0.00 C ATOM 13 OG SER A 2 -15.181 1.876 11.884 1.00 0.00 O ATOM 0 H SER A 2 -14.211 4.990 13.092 1.00 0.00 H new ATOM 0 HA SER A 2 -15.866 2.830 14.240 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.350 2.549 12.540 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.047 1.245 13.481 1.00 0.00 H new ATOM 0 HG SER A 2 -14.772 1.223 11.278 1.00 0.00 H new ATOM 19 N SER A 3 -14.129 2.404 16.079 1.00 0.00 N ATOM 20 CA SER A 3 -13.334 2.432 17.301 1.00 0.00 C ATOM 21 C SER A 3 -11.897 2.850 17.005 1.00 0.00 C ATOM 22 O SER A 3 -11.387 3.811 17.579 1.00 0.00 O ATOM 23 CB SER A 3 -13.349 1.059 17.976 1.00 0.00 C ATOM 24 OG SER A 3 -12.888 0.051 17.092 1.00 0.00 O ATOM 0 H SER A 3 -14.783 1.624 16.019 1.00 0.00 H new ATOM 0 HA SER A 3 -13.776 3.165 17.976 1.00 0.00 H new ATOM 0 HB2 SER A 3 -12.721 1.081 18.867 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.361 0.823 18.305 1.00 0.00 H new ATOM 0 HG SER A 3 -12.906 -0.817 17.547 1.00 0.00 H new ATOM 30 N GLY A 4 -11.248 2.120 16.103 1.00 0.00 N ATOM 31 CA GLY A 4 -9.876 2.429 15.745 1.00 0.00 C ATOM 32 C GLY A 4 -8.876 1.846 16.724 1.00 0.00 C ATOM 33 O GLY A 4 -9.237 1.046 17.587 1.00 0.00 O ATOM 0 H GLY A 4 -11.648 1.320 15.614 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.669 2.044 14.746 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.750 3.511 15.702 1.00 0.00 H new ATOM 37 N SER A 5 -7.616 2.247 16.590 1.00 0.00 N ATOM 38 CA SER A 5 -6.560 1.755 17.466 1.00 0.00 C ATOM 39 C SER A 5 -5.360 2.697 17.453 1.00 0.00 C ATOM 40 O SER A 5 -4.910 3.132 16.393 1.00 0.00 O ATOM 41 CB SER A 5 -6.126 0.351 17.039 1.00 0.00 C ATOM 42 OG SER A 5 -5.649 -0.395 18.145 1.00 0.00 O ATOM 0 H SER A 5 -7.302 2.912 15.883 1.00 0.00 H new ATOM 0 HA SER A 5 -6.955 1.712 18.481 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.967 -0.169 16.581 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.346 0.423 16.281 1.00 0.00 H new ATOM 0 HG SER A 5 -5.380 -1.288 17.845 1.00 0.00 H new ATOM 48 N SER A 6 -4.847 3.008 18.639 1.00 0.00 N ATOM 49 CA SER A 6 -3.701 3.901 18.766 1.00 0.00 C ATOM 50 C SER A 6 -2.635 3.568 17.727 1.00 0.00 C ATOM 51 O SER A 6 -1.897 2.593 17.868 1.00 0.00 O ATOM 52 CB SER A 6 -3.106 3.806 20.172 1.00 0.00 C ATOM 53 OG SER A 6 -4.100 4.014 21.161 1.00 0.00 O ATOM 0 H SER A 6 -5.207 2.655 19.526 1.00 0.00 H new ATOM 0 HA SER A 6 -4.046 4.921 18.594 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.649 2.826 20.312 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.314 4.546 20.286 1.00 0.00 H new ATOM 0 HG SER A 6 -3.695 3.947 22.051 1.00 0.00 H new ATOM 59 N GLY A 7 -2.560 4.386 16.681 1.00 0.00 N ATOM 60 CA GLY A 7 -1.582 4.163 15.633 1.00 0.00 C ATOM 61 C GLY A 7 -1.999 3.065 14.674 1.00 0.00 C ATOM 62 O GLY A 7 -1.979 1.886 15.026 1.00 0.00 O ATOM 0 H GLY A 7 -3.160 5.199 16.541 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.432 5.089 15.077 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.624 3.903 16.084 1.00 0.00 H new ATOM 66 N GLU A 8 -2.380 3.454 13.462 1.00 0.00 N ATOM 67 CA GLU A 8 -2.807 2.493 12.451 1.00 0.00 C ATOM 68 C GLU A 8 -1.616 1.708 11.909 1.00 0.00 C ATOM 69 O GLU A 8 -0.704 2.278 11.312 1.00 0.00 O ATOM 70 CB GLU A 8 -3.525 3.209 11.305 1.00 0.00 C ATOM 71 CG GLU A 8 -4.883 3.769 11.693 1.00 0.00 C ATOM 72 CD GLU A 8 -5.512 4.593 10.586 1.00 0.00 C ATOM 73 OE1 GLU A 8 -6.216 4.005 9.738 1.00 0.00 O ATOM 74 OE2 GLU A 8 -5.300 5.823 10.567 1.00 0.00 O ATOM 0 H GLU A 8 -2.402 4.427 13.156 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.498 1.793 12.921 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -2.895 4.023 10.945 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.652 2.513 10.476 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.550 2.947 11.953 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.776 4.387 12.585 1.00 0.00 H new ATOM 81 N ASN A 9 -1.632 0.396 12.122 1.00 0.00 N ATOM 82 CA ASN A 9 -0.553 -0.467 11.656 1.00 0.00 C ATOM 83 C ASN A 9 -1.013 -1.920 11.583 1.00 0.00 C ATOM 84 O ASN A 9 -1.526 -2.470 12.558 1.00 0.00 O ATOM 85 CB ASN A 9 0.659 -0.349 12.582 1.00 0.00 C ATOM 86 CG ASN A 9 1.102 1.088 12.773 1.00 0.00 C ATOM 87 OD1 ASN A 9 1.869 1.625 11.973 1.00 0.00 O ATOM 88 ND2 ASN A 9 0.621 1.719 13.838 1.00 0.00 N ATOM 0 H ASN A 9 -2.380 -0.092 12.614 1.00 0.00 H new ATOM 0 HA ASN A 9 -0.268 -0.144 10.655 1.00 0.00 H new ATOM 0 HB2 ASN A 9 0.416 -0.783 13.552 1.00 0.00 H new ATOM 0 HB3 ASN A 9 1.485 -0.929 12.171 1.00 0.00 H new ATOM 0 HD21 ASN A 9 0.885 2.688 14.019 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -0.012 1.235 14.475 1.00 0.00 H new ATOM 95 N VAL A 10 -0.823 -2.538 10.422 1.00 0.00 N ATOM 96 CA VAL A 10 -1.215 -3.928 10.222 1.00 0.00 C ATOM 97 C VAL A 10 0.005 -4.824 10.047 1.00 0.00 C ATOM 98 O VAL A 10 0.860 -4.568 9.199 1.00 0.00 O ATOM 99 CB VAL A 10 -2.131 -4.081 8.993 1.00 0.00 C ATOM 100 CG1 VAL A 10 -2.642 -5.510 8.882 1.00 0.00 C ATOM 101 CG2 VAL A 10 -3.289 -3.097 9.066 1.00 0.00 C ATOM 0 H VAL A 10 -0.400 -2.098 9.605 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.761 -4.234 11.114 1.00 0.00 H new ATOM 0 HB VAL A 10 -1.550 -3.858 8.098 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -3.287 -5.599 8.008 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.797 -6.192 8.780 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.208 -5.765 9.778 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -3.926 -3.219 8.190 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.872 -3.287 9.967 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -2.900 -2.079 9.093 1.00 0.00 H new ATOM 111 N TYR A 11 0.080 -5.876 10.854 1.00 0.00 N ATOM 112 CA TYR A 11 1.198 -6.811 10.790 1.00 0.00 C ATOM 113 C TYR A 11 0.727 -8.241 11.034 1.00 0.00 C ATOM 114 O TYR A 11 -0.328 -8.467 11.625 1.00 0.00 O ATOM 115 CB TYR A 11 2.266 -6.432 11.817 1.00 0.00 C ATOM 116 CG TYR A 11 1.708 -5.755 13.049 1.00 0.00 C ATOM 117 CD1 TYR A 11 1.062 -6.489 14.036 1.00 0.00 C ATOM 118 CD2 TYR A 11 1.827 -4.382 13.225 1.00 0.00 C ATOM 119 CE1 TYR A 11 0.550 -5.874 15.163 1.00 0.00 C ATOM 120 CE2 TYR A 11 1.320 -3.759 14.349 1.00 0.00 C ATOM 121 CZ TYR A 11 0.682 -4.510 15.315 1.00 0.00 C ATOM 122 OH TYR A 11 0.174 -3.893 16.436 1.00 0.00 O ATOM 0 H TYR A 11 -0.620 -6.103 11.560 1.00 0.00 H new ATOM 0 HA TYR A 11 1.628 -6.755 9.790 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.803 -7.331 12.119 1.00 0.00 H new ATOM 0 HB3 TYR A 11 2.992 -5.770 11.346 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.958 -7.558 13.921 1.00 0.00 H new ATOM 0 HD2 TYR A 11 2.325 -3.791 12.470 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.049 -6.459 15.920 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.422 -2.691 14.471 1.00 0.00 H new ATOM 0 HH TYR A 11 0.352 -2.930 16.389 1.00 0.00 H new ATOM 132 N GLY A 12 1.519 -9.205 10.574 1.00 0.00 N ATOM 133 CA GLY A 12 1.168 -10.602 10.751 1.00 0.00 C ATOM 134 C GLY A 12 2.133 -11.536 10.049 1.00 0.00 C ATOM 135 O GLY A 12 2.835 -11.132 9.122 1.00 0.00 O ATOM 0 H GLY A 12 2.398 -9.043 10.082 1.00 0.00 H new ATOM 0 HA2 GLY A 12 1.150 -10.837 11.815 1.00 0.00 H new ATOM 0 HA3 GLY A 12 0.161 -10.771 10.370 1.00 0.00 H new ATOM 139 N TYR A 13 2.170 -12.788 10.491 1.00 0.00 N ATOM 140 CA TYR A 13 3.059 -13.781 9.901 1.00 0.00 C ATOM 141 C TYR A 13 2.538 -14.241 8.543 1.00 0.00 C ATOM 142 O TYR A 13 1.595 -15.029 8.461 1.00 0.00 O ATOM 143 CB TYR A 13 3.208 -14.982 10.837 1.00 0.00 C ATOM 144 CG TYR A 13 4.351 -14.849 11.817 1.00 0.00 C ATOM 145 CD1 TYR A 13 4.498 -13.705 12.592 1.00 0.00 C ATOM 146 CD2 TYR A 13 5.286 -15.866 11.967 1.00 0.00 C ATOM 147 CE1 TYR A 13 5.541 -13.578 13.488 1.00 0.00 C ATOM 148 CE2 TYR A 13 6.332 -15.748 12.862 1.00 0.00 C ATOM 149 CZ TYR A 13 6.455 -14.602 13.620 1.00 0.00 C ATOM 150 OH TYR A 13 7.496 -14.481 14.512 1.00 0.00 O ATOM 0 H TYR A 13 1.594 -13.139 11.256 1.00 0.00 H new ATOM 0 HA TYR A 13 4.035 -13.318 9.757 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.279 -15.117 11.391 1.00 0.00 H new ATOM 0 HB3 TYR A 13 3.356 -15.881 10.239 1.00 0.00 H new ATOM 0 HD1 TYR A 13 3.784 -12.901 12.492 1.00 0.00 H new ATOM 0 HD2 TYR A 13 5.194 -16.764 11.374 1.00 0.00 H new ATOM 0 HE1 TYR A 13 5.640 -12.682 14.082 1.00 0.00 H new ATOM 0 HE2 TYR A 13 7.049 -16.548 12.968 1.00 0.00 H new ATOM 0 HH TYR A 13 8.048 -15.291 14.483 1.00 0.00 H new ATOM 160 N LEU A 14 3.160 -13.744 7.480 1.00 0.00 N ATOM 161 CA LEU A 14 2.761 -14.104 6.123 1.00 0.00 C ATOM 162 C LEU A 14 3.807 -15.000 5.467 1.00 0.00 C ATOM 163 O LEU A 14 4.974 -14.995 5.857 1.00 0.00 O ATOM 164 CB LEU A 14 2.552 -12.844 5.281 1.00 0.00 C ATOM 165 CG LEU A 14 1.431 -11.909 5.738 1.00 0.00 C ATOM 166 CD1 LEU A 14 1.516 -10.577 5.009 1.00 0.00 C ATOM 167 CD2 LEU A 14 0.072 -12.557 5.513 1.00 0.00 C ATOM 0 H LEU A 14 3.942 -13.091 7.531 1.00 0.00 H new ATOM 0 HA LEU A 14 1.822 -14.655 6.181 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.485 -12.281 5.268 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.349 -13.147 4.254 1.00 0.00 H new ATOM 0 HG LEU A 14 1.551 -11.723 6.805 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.711 -9.925 5.347 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.476 -10.107 5.221 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.422 -10.743 3.936 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.714 -11.878 5.844 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.057 -12.773 4.452 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.013 -13.485 6.082 1.00 0.00 H new ATOM 179 N MET A 15 3.380 -15.766 4.469 1.00 0.00 N ATOM 180 CA MET A 15 4.280 -16.664 3.757 1.00 0.00 C ATOM 181 C MET A 15 4.800 -16.013 2.479 1.00 0.00 C ATOM 182 O MET A 15 4.024 -15.654 1.593 1.00 0.00 O ATOM 183 CB MET A 15 3.567 -17.976 3.421 1.00 0.00 C ATOM 184 CG MET A 15 3.092 -18.739 4.646 1.00 0.00 C ATOM 185 SD MET A 15 2.949 -20.512 4.348 1.00 0.00 S ATOM 186 CE MET A 15 4.655 -21.025 4.529 1.00 0.00 C ATOM 0 H MET A 15 2.416 -15.783 4.135 1.00 0.00 H new ATOM 0 HA MET A 15 5.129 -16.876 4.407 1.00 0.00 H new ATOM 0 HB2 MET A 15 2.711 -17.761 2.782 1.00 0.00 H new ATOM 0 HB3 MET A 15 4.242 -18.610 2.847 1.00 0.00 H new ATOM 0 HG2 MET A 15 3.787 -18.568 5.468 1.00 0.00 H new ATOM 0 HG3 MET A 15 2.124 -18.348 4.960 1.00 0.00 H new ATOM 0 HE1 MET A 15 4.697 -21.956 5.094 1.00 0.00 H new ATOM 0 HE2 MET A 15 5.095 -21.178 3.544 1.00 0.00 H new ATOM 0 HE3 MET A 15 5.213 -20.253 5.060 1.00 0.00 H new ATOM 196 N LYS A 16 6.117 -15.863 2.389 1.00 0.00 N ATOM 197 CA LYS A 16 6.741 -15.256 1.220 1.00 0.00 C ATOM 198 C LYS A 16 7.258 -16.325 0.263 1.00 0.00 C ATOM 199 O LYS A 16 7.861 -17.312 0.686 1.00 0.00 O ATOM 200 CB LYS A 16 7.889 -14.339 1.647 1.00 0.00 C ATOM 201 CG LYS A 16 8.664 -13.751 0.480 1.00 0.00 C ATOM 202 CD LYS A 16 7.956 -12.541 -0.106 1.00 0.00 C ATOM 203 CE LYS A 16 8.885 -11.727 -0.994 1.00 0.00 C ATOM 204 NZ LYS A 16 9.281 -12.478 -2.217 1.00 0.00 N ATOM 0 H LYS A 16 6.774 -16.154 3.113 1.00 0.00 H new ATOM 0 HA LYS A 16 5.986 -14.664 0.702 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.488 -13.526 2.252 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.575 -14.900 2.282 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.662 -13.464 0.812 1.00 0.00 H new ATOM 0 HG3 LYS A 16 8.791 -14.509 -0.293 1.00 0.00 H new ATOM 0 HD2 LYS A 16 7.092 -12.869 -0.685 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.579 -11.913 0.701 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.391 -10.799 -1.282 1.00 0.00 H new ATOM 0 HE3 LYS A 16 9.777 -11.453 -0.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.914 -11.890 -2.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 9.774 -13.352 -1.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.432 -12.718 -2.767 1.00 0.00 H new ATOM 218 N TYR A 17 7.021 -16.121 -1.028 1.00 0.00 N ATOM 219 CA TYR A 17 7.462 -17.068 -2.045 1.00 0.00 C ATOM 220 C TYR A 17 8.883 -16.753 -2.503 1.00 0.00 C ATOM 221 O TYR A 17 9.133 -15.724 -3.132 1.00 0.00 O ATOM 222 CB TYR A 17 6.511 -17.043 -3.243 1.00 0.00 C ATOM 223 CG TYR A 17 6.392 -18.374 -3.950 1.00 0.00 C ATOM 224 CD1 TYR A 17 5.548 -19.366 -3.467 1.00 0.00 C ATOM 225 CD2 TYR A 17 7.125 -18.640 -5.100 1.00 0.00 C ATOM 226 CE1 TYR A 17 5.436 -20.585 -4.109 1.00 0.00 C ATOM 227 CE2 TYR A 17 7.018 -19.855 -5.750 1.00 0.00 C ATOM 228 CZ TYR A 17 6.173 -20.824 -5.250 1.00 0.00 C ATOM 229 OH TYR A 17 6.066 -22.035 -5.894 1.00 0.00 O ATOM 0 H TYR A 17 6.526 -15.308 -1.395 1.00 0.00 H new ATOM 0 HA TYR A 17 7.454 -18.065 -1.604 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.523 -16.731 -2.905 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.856 -16.293 -3.954 1.00 0.00 H new ATOM 0 HD1 TYR A 17 4.969 -19.182 -2.574 1.00 0.00 H new ATOM 0 HD2 TYR A 17 7.790 -17.885 -5.493 1.00 0.00 H new ATOM 0 HE1 TYR A 17 4.775 -21.346 -3.720 1.00 0.00 H new ATOM 0 HE2 TYR A 17 7.593 -20.045 -6.644 1.00 0.00 H new ATOM 0 HH TYR A 17 6.048 -21.890 -6.863 1.00 0.00 H new ATOM 239 N THR A 18 9.813 -17.648 -2.183 1.00 0.00 N ATOM 240 CA THR A 18 11.209 -17.467 -2.560 1.00 0.00 C ATOM 241 C THR A 18 11.512 -18.146 -3.891 1.00 0.00 C ATOM 242 O THR A 18 12.297 -17.640 -4.691 1.00 0.00 O ATOM 243 CB THR A 18 12.158 -18.027 -1.484 1.00 0.00 C ATOM 244 OG1 THR A 18 13.516 -17.927 -1.928 1.00 0.00 O ATOM 245 CG2 THR A 18 11.827 -19.479 -1.172 1.00 0.00 C ATOM 0 H THR A 18 9.624 -18.505 -1.664 1.00 0.00 H new ATOM 0 HA THR A 18 11.373 -16.394 -2.657 1.00 0.00 H new ATOM 0 HB THR A 18 12.029 -17.438 -0.576 1.00 0.00 H new ATOM 0 HG1 THR A 18 14.113 -18.284 -1.238 1.00 0.00 H new ATOM 0 HG21 THR A 18 12.511 -19.852 -0.409 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.803 -19.548 -0.806 1.00 0.00 H new ATOM 0 HG23 THR A 18 11.930 -20.078 -2.077 1.00 0.00 H new ATOM 253 N ASN A 19 10.883 -19.294 -4.121 1.00 0.00 N ATOM 254 CA ASN A 19 11.085 -20.041 -5.357 1.00 0.00 C ATOM 255 C ASN A 19 10.000 -21.099 -5.537 1.00 0.00 C ATOM 256 O ASN A 19 9.126 -21.259 -4.683 1.00 0.00 O ATOM 257 CB ASN A 19 12.464 -20.705 -5.356 1.00 0.00 C ATOM 258 CG ASN A 19 13.586 -19.705 -5.554 1.00 0.00 C ATOM 259 OD1 ASN A 19 14.331 -19.398 -4.623 1.00 0.00 O ATOM 260 ND2 ASN A 19 13.713 -19.191 -6.772 1.00 0.00 N ATOM 0 H ASN A 19 10.230 -19.727 -3.468 1.00 0.00 H new ATOM 0 HA ASN A 19 11.026 -19.340 -6.190 1.00 0.00 H new ATOM 0 HB2 ASN A 19 12.611 -21.230 -4.412 1.00 0.00 H new ATOM 0 HB3 ASN A 19 12.504 -21.454 -6.147 1.00 0.00 H new ATOM 0 HD21 ASN A 19 14.450 -18.513 -6.965 1.00 0.00 H new ATOM 0 HD22 ASN A 19 13.073 -19.474 -7.514 1.00 0.00 H new ATOM 267 N LEU A 20 10.061 -21.817 -6.652 1.00 0.00 N ATOM 268 CA LEU A 20 9.084 -22.861 -6.945 1.00 0.00 C ATOM 269 C LEU A 20 9.310 -24.082 -6.059 1.00 0.00 C ATOM 270 O LEU A 20 8.408 -24.517 -5.343 1.00 0.00 O ATOM 271 CB LEU A 20 9.165 -23.264 -8.418 1.00 0.00 C ATOM 272 CG LEU A 20 8.576 -22.269 -9.420 1.00 0.00 C ATOM 273 CD1 LEU A 20 9.639 -21.288 -9.886 1.00 0.00 C ATOM 274 CD2 LEU A 20 7.968 -23.004 -10.606 1.00 0.00 C ATOM 0 H LEU A 20 10.776 -21.696 -7.369 1.00 0.00 H new ATOM 0 HA LEU A 20 8.091 -22.463 -6.738 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.212 -23.428 -8.672 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.654 -24.219 -8.541 1.00 0.00 H new ATOM 0 HG LEU A 20 7.786 -21.706 -8.923 1.00 0.00 H new ATOM 0 HD11 LEU A 20 9.201 -20.588 -10.598 1.00 0.00 H new ATOM 0 HD12 LEU A 20 10.027 -20.738 -9.029 1.00 0.00 H new ATOM 0 HD13 LEU A 20 10.452 -21.833 -10.366 1.00 0.00 H new ATOM 0 HD21 LEU A 20 7.554 -22.281 -11.309 1.00 0.00 H new ATOM 0 HD22 LEU A 20 8.739 -23.593 -11.103 1.00 0.00 H new ATOM 0 HD23 LEU A 20 7.175 -23.666 -10.257 1.00 0.00 H new ATOM 286 N VAL A 21 10.520 -24.629 -6.111 1.00 0.00 N ATOM 287 CA VAL A 21 10.865 -25.798 -5.311 1.00 0.00 C ATOM 288 C VAL A 21 10.674 -25.522 -3.824 1.00 0.00 C ATOM 289 O VAL A 21 9.974 -26.259 -3.129 1.00 0.00 O ATOM 290 CB VAL A 21 12.321 -26.237 -5.558 1.00 0.00 C ATOM 291 CG1 VAL A 21 13.275 -25.073 -5.333 1.00 0.00 C ATOM 292 CG2 VAL A 21 12.682 -27.413 -4.663 1.00 0.00 C ATOM 0 H VAL A 21 11.278 -24.281 -6.699 1.00 0.00 H new ATOM 0 HA VAL A 21 10.194 -26.601 -5.617 1.00 0.00 H new ATOM 0 HB VAL A 21 12.415 -26.557 -6.596 1.00 0.00 H new ATOM 0 HG11 VAL A 21 14.299 -25.402 -5.512 1.00 0.00 H new ATOM 0 HG12 VAL A 21 13.029 -24.263 -6.019 1.00 0.00 H new ATOM 0 HG13 VAL A 21 13.182 -24.719 -4.306 1.00 0.00 H new ATOM 0 HG21 VAL A 21 13.714 -27.710 -4.851 1.00 0.00 H new ATOM 0 HG22 VAL A 21 12.573 -27.122 -3.618 1.00 0.00 H new ATOM 0 HG23 VAL A 21 12.019 -28.251 -4.878 1.00 0.00 H new ATOM 302 N THR A 22 11.301 -24.454 -3.341 1.00 0.00 N ATOM 303 CA THR A 22 11.201 -24.080 -1.936 1.00 0.00 C ATOM 304 C THR A 22 9.746 -24.022 -1.484 1.00 0.00 C ATOM 305 O THR A 22 9.421 -24.386 -0.355 1.00 0.00 O ATOM 306 CB THR A 22 11.864 -22.716 -1.669 1.00 0.00 C ATOM 307 OG1 THR A 22 13.002 -22.549 -2.522 1.00 0.00 O ATOM 308 CG2 THR A 22 12.293 -22.598 -0.214 1.00 0.00 C ATOM 0 H THR A 22 11.884 -23.833 -3.902 1.00 0.00 H new ATOM 0 HA THR A 22 11.725 -24.848 -1.367 1.00 0.00 H new ATOM 0 HB THR A 22 11.134 -21.935 -1.881 1.00 0.00 H new ATOM 0 HG1 THR A 22 13.417 -21.679 -2.347 1.00 0.00 H new ATOM 0 HG21 THR A 22 12.759 -21.626 -0.050 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.420 -22.696 0.432 1.00 0.00 H new ATOM 0 HG23 THR A 22 13.008 -23.387 0.020 1.00 0.00 H new ATOM 316 N GLY A 23 8.873 -23.562 -2.375 1.00 0.00 N ATOM 317 CA GLY A 23 7.462 -23.465 -2.050 1.00 0.00 C ATOM 318 C GLY A 23 7.118 -22.171 -1.339 1.00 0.00 C ATOM 319 O GLY A 23 7.249 -21.088 -1.910 1.00 0.00 O ATOM 0 H GLY A 23 9.118 -23.255 -3.316 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.876 -23.540 -2.966 1.00 0.00 H new ATOM 0 HA3 GLY A 23 7.179 -24.308 -1.420 1.00 0.00 H new ATOM 323 N TRP A 24 6.676 -22.282 -0.092 1.00 0.00 N ATOM 324 CA TRP A 24 6.311 -21.111 0.697 1.00 0.00 C ATOM 325 C TRP A 24 7.084 -21.077 2.011 1.00 0.00 C ATOM 326 O TRP A 24 7.269 -22.107 2.658 1.00 0.00 O ATOM 327 CB TRP A 24 4.807 -21.106 0.975 1.00 0.00 C ATOM 328 CG TRP A 24 3.978 -20.857 -0.249 1.00 0.00 C ATOM 329 CD1 TRP A 24 3.683 -21.754 -1.236 1.00 0.00 C ATOM 330 CD2 TRP A 24 3.338 -19.630 -0.615 1.00 0.00 C ATOM 331 NE1 TRP A 24 2.899 -21.158 -2.194 1.00 0.00 N ATOM 332 CE2 TRP A 24 2.673 -19.856 -1.836 1.00 0.00 C ATOM 333 CE3 TRP A 24 3.261 -18.363 -0.030 1.00 0.00 C ATOM 334 CZ2 TRP A 24 1.942 -18.861 -2.480 1.00 0.00 C ATOM 335 CZ3 TRP A 24 2.536 -17.377 -0.671 1.00 0.00 C ATOM 336 CH2 TRP A 24 1.884 -17.630 -1.885 1.00 0.00 C ATOM 0 H TRP A 24 6.562 -23.171 0.395 1.00 0.00 H new ATOM 0 HA TRP A 24 6.570 -20.222 0.122 1.00 0.00 H new ATOM 0 HB2 TRP A 24 4.522 -22.064 1.410 1.00 0.00 H new ATOM 0 HB3 TRP A 24 4.585 -20.340 1.718 1.00 0.00 H new ATOM 0 HD1 TRP A 24 4.017 -22.781 -1.260 1.00 0.00 H new ATOM 0 HE1 TRP A 24 2.543 -21.612 -3.035 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.759 -18.158 0.906 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 1.439 -19.054 -3.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 2.471 -16.394 -0.229 1.00 0.00 H new ATOM 0 HH2 TRP A 24 1.325 -16.838 -2.361 1.00 0.00 H new ATOM 347 N GLN A 25 7.531 -19.887 2.399 1.00 0.00 N ATOM 348 CA GLN A 25 8.284 -19.721 3.637 1.00 0.00 C ATOM 349 C GLN A 25 7.592 -18.729 4.566 1.00 0.00 C ATOM 350 O GLN A 25 7.156 -17.660 4.136 1.00 0.00 O ATOM 351 CB GLN A 25 9.706 -19.248 3.333 1.00 0.00 C ATOM 352 CG GLN A 25 10.632 -20.361 2.868 1.00 0.00 C ATOM 353 CD GLN A 25 12.080 -20.107 3.235 1.00 0.00 C ATOM 354 OE1 GLN A 25 12.935 -19.986 2.225 1.00 0.00 O flip ATOM 355 NE2 GLN A 25 12.429 -20.020 4.413 1.00 0.00 N flip ATOM 0 H GLN A 25 7.385 -19.024 1.875 1.00 0.00 H new ATOM 0 HA GLN A 25 8.330 -20.688 4.138 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.666 -18.475 2.565 1.00 0.00 H new ATOM 0 HB3 GLN A 25 10.126 -18.788 4.227 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.310 -21.304 3.309 1.00 0.00 H new ATOM 0 HG3 GLN A 25 10.549 -20.469 1.787 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.739 -20.119 5.158 1.00 0.00 H new ATOM 0 HE22 GLN A 25 13.408 -19.849 4.644 1.00 0.00 H new ATOM 364 N TYR A 26 7.495 -19.089 5.841 1.00 0.00 N ATOM 365 CA TYR A 26 6.854 -18.231 6.830 1.00 0.00 C ATOM 366 C TYR A 26 7.763 -17.067 7.213 1.00 0.00 C ATOM 367 O TYR A 26 8.985 -17.205 7.246 1.00 0.00 O ATOM 368 CB TYR A 26 6.489 -19.039 8.076 1.00 0.00 C ATOM 369 CG TYR A 26 5.326 -19.984 7.867 1.00 0.00 C ATOM 370 CD1 TYR A 26 4.048 -19.499 7.621 1.00 0.00 C ATOM 371 CD2 TYR A 26 5.508 -21.360 7.913 1.00 0.00 C ATOM 372 CE1 TYR A 26 2.983 -20.358 7.430 1.00 0.00 C ATOM 373 CE2 TYR A 26 4.449 -22.227 7.722 1.00 0.00 C ATOM 374 CZ TYR A 26 3.189 -21.721 7.481 1.00 0.00 C ATOM 375 OH TYR A 26 2.131 -22.581 7.290 1.00 0.00 O ATOM 0 H TYR A 26 7.852 -19.969 6.214 1.00 0.00 H new ATOM 0 HA TYR A 26 5.944 -17.827 6.387 1.00 0.00 H new ATOM 0 HB2 TYR A 26 7.359 -19.613 8.395 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.246 -18.351 8.886 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.884 -18.432 7.578 1.00 0.00 H new ATOM 0 HD2 TYR A 26 6.494 -21.759 8.101 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.995 -19.965 7.242 1.00 0.00 H new ATOM 0 HE2 TYR A 26 4.607 -23.295 7.761 1.00 0.00 H new ATOM 0 HH TYR A 26 2.446 -23.507 7.356 1.00 0.00 H new ATOM 385 N ARG A 27 7.155 -15.921 7.502 1.00 0.00 N ATOM 386 CA ARG A 27 7.908 -14.732 7.882 1.00 0.00 C ATOM 387 C ARG A 27 6.992 -13.686 8.511 1.00 0.00 C ATOM 388 O ARG A 27 5.768 -13.799 8.447 1.00 0.00 O ATOM 389 CB ARG A 27 8.616 -14.139 6.663 1.00 0.00 C ATOM 390 CG ARG A 27 9.906 -14.856 6.299 1.00 0.00 C ATOM 391 CD ARG A 27 10.899 -13.915 5.637 1.00 0.00 C ATOM 392 NE ARG A 27 11.787 -14.617 4.713 1.00 0.00 N ATOM 393 CZ ARG A 27 12.852 -15.309 5.101 1.00 0.00 C ATOM 394 NH1 ARG A 27 13.161 -15.392 6.387 1.00 0.00 N ATOM 395 NH2 ARG A 27 13.611 -15.920 4.200 1.00 0.00 N ATOM 0 H ARG A 27 6.144 -15.791 7.480 1.00 0.00 H new ATOM 0 HA ARG A 27 8.655 -15.026 8.619 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.939 -14.171 5.809 1.00 0.00 H new ATOM 0 HB3 ARG A 27 8.836 -13.089 6.856 1.00 0.00 H new ATOM 0 HG2 ARG A 27 10.352 -15.284 7.197 1.00 0.00 H new ATOM 0 HG3 ARG A 27 9.685 -15.685 5.627 1.00 0.00 H new ATOM 0 HD2 ARG A 27 10.358 -13.137 5.099 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.493 -13.418 6.403 1.00 0.00 H new ATOM 0 HE ARG A 27 11.577 -14.573 3.716 1.00 0.00 H new ATOM 0 HH11 ARG A 27 12.580 -14.924 7.082 1.00 0.00 H new ATOM 0 HH12 ARG A 27 13.980 -15.924 6.681 1.00 0.00 H new ATOM 0 HH21 ARG A 27 13.376 -15.858 3.209 1.00 0.00 H new ATOM 0 HH22 ARG A 27 14.429 -16.451 4.498 1.00 0.00 H new ATOM 409 N PHE A 28 7.593 -12.668 9.118 1.00 0.00 N ATOM 410 CA PHE A 28 6.832 -11.602 9.759 1.00 0.00 C ATOM 411 C PHE A 28 6.772 -10.365 8.868 1.00 0.00 C ATOM 412 O PHE A 28 7.792 -9.905 8.355 1.00 0.00 O ATOM 413 CB PHE A 28 7.455 -11.243 11.109 1.00 0.00 C ATOM 414 CG PHE A 28 6.717 -10.158 11.840 1.00 0.00 C ATOM 415 CD1 PHE A 28 5.375 -10.305 12.154 1.00 0.00 C ATOM 416 CD2 PHE A 28 7.364 -8.991 12.213 1.00 0.00 C ATOM 417 CE1 PHE A 28 4.694 -9.307 12.826 1.00 0.00 C ATOM 418 CE2 PHE A 28 6.688 -7.991 12.885 1.00 0.00 C ATOM 419 CZ PHE A 28 5.351 -8.150 13.193 1.00 0.00 C ATOM 0 H PHE A 28 8.605 -12.559 9.179 1.00 0.00 H new ATOM 0 HA PHE A 28 5.816 -11.961 9.920 1.00 0.00 H new ATOM 0 HB2 PHE A 28 7.486 -12.135 11.734 1.00 0.00 H new ATOM 0 HB3 PHE A 28 8.486 -10.928 10.952 1.00 0.00 H new ATOM 0 HD1 PHE A 28 4.856 -11.209 11.871 1.00 0.00 H new ATOM 0 HD2 PHE A 28 8.410 -8.861 11.976 1.00 0.00 H new ATOM 0 HE1 PHE A 28 3.648 -9.433 13.064 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.204 -7.086 13.169 1.00 0.00 H new ATOM 0 HZ PHE A 28 4.821 -7.371 13.720 1.00 0.00 H new ATOM 429 N PHE A 29 5.568 -9.831 8.687 1.00 0.00 N ATOM 430 CA PHE A 29 5.373 -8.648 7.857 1.00 0.00 C ATOM 431 C PHE A 29 4.759 -7.510 8.668 1.00 0.00 C ATOM 432 O PHE A 29 3.944 -7.739 9.561 1.00 0.00 O ATOM 433 CB PHE A 29 4.477 -8.979 6.662 1.00 0.00 C ATOM 434 CG PHE A 29 5.194 -9.703 5.558 1.00 0.00 C ATOM 435 CD1 PHE A 29 5.535 -11.039 5.694 1.00 0.00 C ATOM 436 CD2 PHE A 29 5.526 -9.047 4.383 1.00 0.00 C ATOM 437 CE1 PHE A 29 6.195 -11.706 4.680 1.00 0.00 C ATOM 438 CE2 PHE A 29 6.186 -9.710 3.366 1.00 0.00 C ATOM 439 CZ PHE A 29 6.520 -11.041 3.514 1.00 0.00 C ATOM 0 H PHE A 29 4.713 -10.199 9.104 1.00 0.00 H new ATOM 0 HA PHE A 29 6.348 -8.326 7.492 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.641 -9.589 7.003 1.00 0.00 H new ATOM 0 HB3 PHE A 29 4.056 -8.055 6.266 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.282 -11.565 6.603 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.266 -8.006 4.261 1.00 0.00 H new ATOM 0 HE1 PHE A 29 6.457 -12.747 4.799 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.440 -9.187 2.456 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.034 -11.561 2.720 1.00 0.00 H new ATOM 449 N VAL A 30 5.158 -6.283 8.349 1.00 0.00 N ATOM 450 CA VAL A 30 4.647 -5.108 9.046 1.00 0.00 C ATOM 451 C VAL A 30 4.375 -3.967 8.073 1.00 0.00 C ATOM 452 O VAL A 30 5.300 -3.398 7.491 1.00 0.00 O ATOM 453 CB VAL A 30 5.633 -4.624 10.126 1.00 0.00 C ATOM 454 CG1 VAL A 30 5.110 -3.365 10.800 1.00 0.00 C ATOM 455 CG2 VAL A 30 5.883 -5.722 11.149 1.00 0.00 C ATOM 0 H VAL A 30 5.833 -6.076 7.613 1.00 0.00 H new ATOM 0 HA VAL A 30 3.713 -5.404 9.524 1.00 0.00 H new ATOM 0 HB VAL A 30 6.582 -4.383 9.646 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.819 -3.038 11.560 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.987 -2.578 10.056 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.148 -3.576 11.268 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.582 -5.363 11.905 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.942 -5.996 11.626 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.305 -6.595 10.650 1.00 0.00 H new ATOM 465 N LEU A 31 3.100 -3.635 7.901 1.00 0.00 N ATOM 466 CA LEU A 31 2.705 -2.559 6.998 1.00 0.00 C ATOM 467 C LEU A 31 2.973 -1.195 7.626 1.00 0.00 C ATOM 468 O LEU A 31 2.802 -1.011 8.830 1.00 0.00 O ATOM 469 CB LEU A 31 1.224 -2.686 6.639 1.00 0.00 C ATOM 470 CG LEU A 31 0.593 -1.475 5.952 1.00 0.00 C ATOM 471 CD1 LEU A 31 0.958 -1.449 4.476 1.00 0.00 C ATOM 472 CD2 LEU A 31 -0.918 -1.487 6.130 1.00 0.00 C ATOM 0 H LEU A 31 2.322 -4.095 8.375 1.00 0.00 H new ATOM 0 HA LEU A 31 3.301 -2.643 6.089 1.00 0.00 H new ATOM 0 HB2 LEU A 31 1.102 -3.552 5.989 1.00 0.00 H new ATOM 0 HB3 LEU A 31 0.666 -2.892 7.552 1.00 0.00 H new ATOM 0 HG LEU A 31 0.986 -0.571 6.418 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.500 -0.580 4.003 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.041 -1.391 4.370 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.595 -2.357 3.995 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.350 -0.617 5.634 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.329 -2.396 5.691 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.159 -1.456 7.192 1.00 0.00 H new ATOM 484 N ASN A 32 3.392 -0.241 6.800 1.00 0.00 N ATOM 485 CA ASN A 32 3.682 1.107 7.274 1.00 0.00 C ATOM 486 C ASN A 32 2.660 2.104 6.737 1.00 0.00 C ATOM 487 O ASN A 32 2.544 2.299 5.528 1.00 0.00 O ATOM 488 CB ASN A 32 5.091 1.527 6.852 1.00 0.00 C ATOM 489 CG ASN A 32 6.157 1.015 7.801 1.00 0.00 C ATOM 490 OD1 ASN A 32 5.850 0.384 8.813 1.00 0.00 O ATOM 491 ND2 ASN A 32 7.416 1.285 7.479 1.00 0.00 N ATOM 0 H ASN A 32 3.538 -0.377 5.800 1.00 0.00 H new ATOM 0 HA ASN A 32 3.622 1.103 8.362 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.293 1.153 5.848 1.00 0.00 H new ATOM 0 HB3 ASN A 32 5.144 2.615 6.804 1.00 0.00 H new ATOM 0 HD21 ASN A 32 8.176 0.966 8.080 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.624 1.811 6.630 1.00 0.00 H new ATOM 498 N ASN A 33 1.920 2.732 7.646 1.00 0.00 N ATOM 499 CA ASN A 33 0.907 3.709 7.264 1.00 0.00 C ATOM 500 C ASN A 33 1.502 5.113 7.199 1.00 0.00 C ATOM 501 O ASN A 33 1.172 5.897 6.310 1.00 0.00 O ATOM 502 CB ASN A 33 -0.258 3.681 8.255 1.00 0.00 C ATOM 503 CG ASN A 33 -1.228 4.826 8.039 1.00 0.00 C ATOM 504 OD1 ASN A 33 -1.267 5.778 8.819 1.00 0.00 O ATOM 505 ND2 ASN A 33 -2.019 4.738 6.976 1.00 0.00 N ATOM 0 H ASN A 33 2.003 2.582 8.651 1.00 0.00 H new ATOM 0 HA ASN A 33 0.538 3.444 6.273 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -0.790 2.735 8.159 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.132 3.726 9.272 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.693 5.478 6.779 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.952 3.931 6.356 1.00 0.00 H new ATOM 512 N GLU A 34 2.381 5.421 8.148 1.00 0.00 N ATOM 513 CA GLU A 34 3.021 6.730 8.199 1.00 0.00 C ATOM 514 C GLU A 34 3.909 6.949 6.978 1.00 0.00 C ATOM 515 O GLU A 34 3.959 8.046 6.422 1.00 0.00 O ATOM 516 CB GLU A 34 3.850 6.868 9.478 1.00 0.00 C ATOM 517 CG GLU A 34 4.866 5.753 9.667 1.00 0.00 C ATOM 518 CD GLU A 34 5.928 6.100 10.692 1.00 0.00 C ATOM 519 OE1 GLU A 34 5.622 6.056 11.902 1.00 0.00 O ATOM 520 OE2 GLU A 34 7.065 6.415 10.284 1.00 0.00 O ATOM 0 H GLU A 34 2.666 4.783 8.891 1.00 0.00 H new ATOM 0 HA GLU A 34 2.239 7.489 8.199 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.372 7.825 9.462 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.178 6.886 10.336 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.350 4.845 9.977 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.345 5.537 8.712 1.00 0.00 H new ATOM 527 N ALA A 35 4.609 5.897 6.566 1.00 0.00 N ATOM 528 CA ALA A 35 5.494 5.973 5.411 1.00 0.00 C ATOM 529 C ALA A 35 4.809 5.436 4.158 1.00 0.00 C ATOM 530 O ALA A 35 4.723 6.125 3.143 1.00 0.00 O ATOM 531 CB ALA A 35 6.781 5.208 5.680 1.00 0.00 C ATOM 0 H ALA A 35 4.580 4.982 7.015 1.00 0.00 H new ATOM 0 HA ALA A 35 5.737 7.022 5.240 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.432 5.274 4.808 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.287 5.639 6.544 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.548 4.162 5.881 1.00 0.00 H new ATOM 537 N GLY A 36 4.324 4.201 4.238 1.00 0.00 N ATOM 538 CA GLY A 36 3.654 3.593 3.104 1.00 0.00 C ATOM 539 C GLY A 36 4.510 2.546 2.418 1.00 0.00 C ATOM 540 O GLY A 36 4.431 2.368 1.202 1.00 0.00 O ATOM 0 H GLY A 36 4.383 3.611 5.068 1.00 0.00 H new ATOM 0 HA2 GLY A 36 2.723 3.135 3.439 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.387 4.368 2.385 1.00 0.00 H new ATOM 544 N LEU A 37 5.331 1.851 3.198 1.00 0.00 N ATOM 545 CA LEU A 37 6.206 0.817 2.658 1.00 0.00 C ATOM 546 C LEU A 37 5.932 -0.529 3.321 1.00 0.00 C ATOM 547 O LEU A 37 5.749 -0.610 4.536 1.00 0.00 O ATOM 548 CB LEU A 37 7.672 1.207 2.858 1.00 0.00 C ATOM 549 CG LEU A 37 8.313 2.012 1.727 1.00 0.00 C ATOM 550 CD1 LEU A 37 9.395 2.931 2.272 1.00 0.00 C ATOM 551 CD2 LEU A 37 8.885 1.081 0.668 1.00 0.00 C ATOM 0 H LEU A 37 5.409 1.985 4.206 1.00 0.00 H new ATOM 0 HA LEU A 37 6.003 0.724 1.591 1.00 0.00 H new ATOM 0 HB2 LEU A 37 7.751 1.785 3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.253 0.296 3.003 1.00 0.00 H new ATOM 0 HG LEU A 37 7.542 2.628 1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.840 3.496 1.452 1.00 0.00 H new ATOM 0 HD12 LEU A 37 8.957 3.622 2.993 1.00 0.00 H new ATOM 0 HD13 LEU A 37 10.165 2.336 2.762 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.337 1.671 -0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 37 9.642 0.439 1.118 1.00 0.00 H new ATOM 0 HD23 LEU A 37 8.086 0.465 0.255 1.00 0.00 H new ATOM 563 N LEU A 38 5.905 -1.585 2.514 1.00 0.00 N ATOM 564 CA LEU A 38 5.655 -2.929 3.022 1.00 0.00 C ATOM 565 C LEU A 38 6.964 -3.685 3.231 1.00 0.00 C ATOM 566 O LEU A 38 7.652 -4.030 2.271 1.00 0.00 O ATOM 567 CB LEU A 38 4.756 -3.702 2.055 1.00 0.00 C ATOM 568 CG LEU A 38 4.544 -5.182 2.373 1.00 0.00 C ATOM 569 CD1 LEU A 38 3.477 -5.352 3.444 1.00 0.00 C ATOM 570 CD2 LEU A 38 4.166 -5.949 1.114 1.00 0.00 C ATOM 0 H LEU A 38 6.053 -1.536 1.506 1.00 0.00 H new ATOM 0 HA LEU A 38 5.151 -2.839 3.984 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.782 -3.214 2.027 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.181 -3.623 1.054 1.00 0.00 H new ATOM 0 HG LEU A 38 5.480 -5.589 2.755 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.340 -6.412 3.657 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.788 -4.837 4.353 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.537 -4.929 3.091 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.019 -7.001 1.359 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.243 -5.540 0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.965 -5.856 0.378 1.00 0.00 H new ATOM 582 N GLU A 39 7.299 -3.939 4.492 1.00 0.00 N ATOM 583 CA GLU A 39 8.525 -4.655 4.826 1.00 0.00 C ATOM 584 C GLU A 39 8.210 -5.987 5.501 1.00 0.00 C ATOM 585 O GLU A 39 7.058 -6.273 5.829 1.00 0.00 O ATOM 586 CB GLU A 39 9.406 -3.803 5.741 1.00 0.00 C ATOM 587 CG GLU A 39 9.305 -2.312 5.467 1.00 0.00 C ATOM 588 CD GLU A 39 10.300 -1.502 6.276 1.00 0.00 C ATOM 589 OE1 GLU A 39 10.551 -1.864 7.444 1.00 0.00 O ATOM 590 OE2 GLU A 39 10.828 -0.505 5.739 1.00 0.00 O ATOM 0 H GLU A 39 6.740 -3.660 5.298 1.00 0.00 H new ATOM 0 HA GLU A 39 9.063 -4.855 3.899 1.00 0.00 H new ATOM 0 HB2 GLU A 39 9.129 -3.993 6.778 1.00 0.00 H new ATOM 0 HB3 GLU A 39 10.444 -4.116 5.626 1.00 0.00 H new ATOM 0 HG2 GLU A 39 9.471 -2.129 4.405 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.295 -1.972 5.695 1.00 0.00 H new ATOM 597 N TYR A 40 9.242 -6.798 5.705 1.00 0.00 N ATOM 598 CA TYR A 40 9.076 -8.101 6.338 1.00 0.00 C ATOM 599 C TYR A 40 10.371 -8.550 7.008 1.00 0.00 C ATOM 600 O TYR A 40 11.441 -8.521 6.400 1.00 0.00 O ATOM 601 CB TYR A 40 8.636 -9.141 5.306 1.00 0.00 C ATOM 602 CG TYR A 40 9.762 -9.631 4.423 1.00 0.00 C ATOM 603 CD1 TYR A 40 10.564 -10.696 4.812 1.00 0.00 C ATOM 604 CD2 TYR A 40 10.022 -9.029 3.197 1.00 0.00 C ATOM 605 CE1 TYR A 40 11.593 -11.147 4.009 1.00 0.00 C ATOM 606 CE2 TYR A 40 11.048 -9.474 2.387 1.00 0.00 C ATOM 607 CZ TYR A 40 11.832 -10.532 2.797 1.00 0.00 C ATOM 608 OH TYR A 40 12.855 -10.979 1.994 1.00 0.00 O ATOM 0 H TYR A 40 10.202 -6.576 5.441 1.00 0.00 H new ATOM 0 HA TYR A 40 8.305 -8.009 7.103 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.196 -9.992 5.825 1.00 0.00 H new ATOM 0 HB3 TYR A 40 7.855 -8.711 4.679 1.00 0.00 H new ATOM 0 HD1 TYR A 40 10.380 -11.180 5.760 1.00 0.00 H new ATOM 0 HD2 TYR A 40 9.411 -8.199 2.873 1.00 0.00 H new ATOM 0 HE1 TYR A 40 12.207 -11.976 4.328 1.00 0.00 H new ATOM 0 HE2 TYR A 40 11.236 -8.996 1.437 1.00 0.00 H new ATOM 0 HH TYR A 40 12.889 -10.440 1.176 1.00 0.00 H new ATOM 618 N PHE A 41 10.265 -8.966 8.266 1.00 0.00 N ATOM 619 CA PHE A 41 11.427 -9.421 9.021 1.00 0.00 C ATOM 620 C PHE A 41 11.314 -10.908 9.348 1.00 0.00 C ATOM 621 O PHE A 41 10.250 -11.392 9.733 1.00 0.00 O ATOM 622 CB PHE A 41 11.571 -8.613 10.312 1.00 0.00 C ATOM 623 CG PHE A 41 11.594 -7.128 10.090 1.00 0.00 C ATOM 624 CD1 PHE A 41 12.731 -6.505 9.600 1.00 0.00 C ATOM 625 CD2 PHE A 41 10.480 -6.354 10.371 1.00 0.00 C ATOM 626 CE1 PHE A 41 12.756 -5.139 9.394 1.00 0.00 C ATOM 627 CE2 PHE A 41 10.499 -4.987 10.167 1.00 0.00 C ATOM 628 CZ PHE A 41 11.639 -4.379 9.679 1.00 0.00 C ATOM 0 H PHE A 41 9.387 -8.997 8.784 1.00 0.00 H new ATOM 0 HA PHE A 41 12.313 -9.268 8.405 1.00 0.00 H new ATOM 0 HB2 PHE A 41 10.746 -8.860 10.980 1.00 0.00 H new ATOM 0 HB3 PHE A 41 12.490 -8.911 10.817 1.00 0.00 H new ATOM 0 HD1 PHE A 41 13.608 -7.094 9.377 1.00 0.00 H new ATOM 0 HD2 PHE A 41 9.586 -6.824 10.754 1.00 0.00 H new ATOM 0 HE1 PHE A 41 13.648 -4.666 9.011 1.00 0.00 H new ATOM 0 HE2 PHE A 41 9.623 -4.395 10.389 1.00 0.00 H new ATOM 0 HZ PHE A 41 11.657 -3.311 9.521 1.00 0.00 H new ATOM 638 N VAL A 42 12.421 -11.627 9.192 1.00 0.00 N ATOM 639 CA VAL A 42 12.448 -13.058 9.471 1.00 0.00 C ATOM 640 C VAL A 42 11.563 -13.403 10.663 1.00 0.00 C ATOM 641 O VAL A 42 10.907 -14.443 10.682 1.00 0.00 O ATOM 642 CB VAL A 42 13.882 -13.548 9.750 1.00 0.00 C ATOM 643 CG1 VAL A 42 13.879 -15.023 10.121 1.00 0.00 C ATOM 644 CG2 VAL A 42 14.776 -13.294 8.546 1.00 0.00 C ATOM 0 H VAL A 42 13.311 -11.242 8.874 1.00 0.00 H new ATOM 0 HA VAL A 42 12.066 -13.561 8.583 1.00 0.00 H new ATOM 0 HB VAL A 42 14.282 -12.986 10.594 1.00 0.00 H new ATOM 0 HG11 VAL A 42 14.900 -15.352 10.315 1.00 0.00 H new ATOM 0 HG12 VAL A 42 13.274 -15.172 11.015 1.00 0.00 H new ATOM 0 HG13 VAL A 42 13.461 -15.604 9.299 1.00 0.00 H new ATOM 0 HG21 VAL A 42 15.785 -13.646 8.761 1.00 0.00 H new ATOM 0 HG22 VAL A 42 14.382 -13.828 7.681 1.00 0.00 H new ATOM 0 HG23 VAL A 42 14.803 -12.226 8.332 1.00 0.00 H new ATOM 654 N ASN A 43 11.550 -12.521 11.657 1.00 0.00 N ATOM 655 CA ASN A 43 10.745 -12.732 12.855 1.00 0.00 C ATOM 656 C ASN A 43 10.526 -11.419 13.601 1.00 0.00 C ATOM 657 O ASN A 43 11.221 -10.433 13.359 1.00 0.00 O ATOM 658 CB ASN A 43 11.421 -13.749 13.777 1.00 0.00 C ATOM 659 CG ASN A 43 12.934 -13.685 13.697 1.00 0.00 C ATOM 660 OD1 ASN A 43 13.515 -12.609 13.559 1.00 0.00 O ATOM 661 ND2 ASN A 43 13.580 -14.843 13.783 1.00 0.00 N ATOM 0 H ASN A 43 12.087 -11.654 11.657 1.00 0.00 H new ATOM 0 HA ASN A 43 9.774 -13.121 12.547 1.00 0.00 H new ATOM 0 HB2 ASN A 43 11.106 -13.569 14.805 1.00 0.00 H new ATOM 0 HB3 ASN A 43 11.088 -14.753 13.513 1.00 0.00 H new ATOM 0 HD21 ASN A 43 14.599 -14.864 13.735 1.00 0.00 H new ATOM 0 HD22 ASN A 43 13.057 -15.711 13.897 1.00 0.00 H new ATOM 668 N GLU A 44 9.556 -11.416 14.510 1.00 0.00 N ATOM 669 CA GLU A 44 9.246 -10.225 15.292 1.00 0.00 C ATOM 670 C GLU A 44 10.473 -9.743 16.059 1.00 0.00 C ATOM 671 O GLU A 44 10.716 -8.541 16.170 1.00 0.00 O ATOM 672 CB GLU A 44 8.101 -10.510 16.266 1.00 0.00 C ATOM 673 CG GLU A 44 7.488 -9.258 16.869 1.00 0.00 C ATOM 674 CD GLU A 44 6.801 -9.524 18.194 1.00 0.00 C ATOM 675 OE1 GLU A 44 6.119 -10.564 18.310 1.00 0.00 O ATOM 676 OE2 GLU A 44 6.945 -8.693 19.115 1.00 0.00 O ATOM 0 H GLU A 44 8.972 -12.225 14.723 1.00 0.00 H new ATOM 0 HA GLU A 44 8.939 -9.439 14.602 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.324 -11.070 15.746 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.469 -11.147 17.070 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.267 -8.509 17.012 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.767 -8.838 16.168 1.00 0.00 H new ATOM 683 N GLN A 45 11.243 -10.689 16.588 1.00 0.00 N ATOM 684 CA GLN A 45 12.444 -10.361 17.346 1.00 0.00 C ATOM 685 C GLN A 45 13.339 -9.406 16.562 1.00 0.00 C ATOM 686 O GLN A 45 14.078 -8.613 17.145 1.00 0.00 O ATOM 687 CB GLN A 45 13.218 -11.634 17.692 1.00 0.00 C ATOM 688 CG GLN A 45 12.522 -12.507 18.725 1.00 0.00 C ATOM 689 CD GLN A 45 12.255 -11.773 20.024 1.00 0.00 C ATOM 690 OE1 GLN A 45 13.106 -11.034 20.519 1.00 0.00 O ATOM 691 NE2 GLN A 45 11.067 -11.973 20.584 1.00 0.00 N ATOM 0 H GLN A 45 11.056 -11.688 16.505 1.00 0.00 H new ATOM 0 HA GLN A 45 12.137 -9.868 18.269 1.00 0.00 H new ATOM 0 HB2 GLN A 45 13.372 -12.214 16.782 1.00 0.00 H new ATOM 0 HB3 GLN A 45 14.204 -11.359 18.066 1.00 0.00 H new ATOM 0 HG2 GLN A 45 11.578 -12.867 18.315 1.00 0.00 H new ATOM 0 HG3 GLN A 45 13.137 -13.384 18.927 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.391 -12.594 20.139 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.830 -11.505 21.459 1.00 0.00 H new ATOM 700 N SER A 46 13.266 -9.487 15.237 1.00 0.00 N ATOM 701 CA SER A 46 14.072 -8.633 14.373 1.00 0.00 C ATOM 702 C SER A 46 13.333 -7.340 14.045 1.00 0.00 C ATOM 703 O SER A 46 13.192 -6.972 12.879 1.00 0.00 O ATOM 704 CB SER A 46 14.431 -9.371 13.082 1.00 0.00 C ATOM 705 OG SER A 46 15.238 -8.565 12.242 1.00 0.00 O ATOM 0 H SER A 46 12.657 -10.136 14.739 1.00 0.00 H new ATOM 0 HA SER A 46 14.989 -8.381 14.906 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.959 -10.294 13.322 1.00 0.00 H new ATOM 0 HB3 SER A 46 13.519 -9.653 12.555 1.00 0.00 H new ATOM 0 HG SER A 46 16.162 -8.889 12.268 1.00 0.00 H new ATOM 711 N ARG A 47 12.862 -6.655 15.082 1.00 0.00 N ATOM 712 CA ARG A 47 12.136 -5.403 14.905 1.00 0.00 C ATOM 713 C ARG A 47 13.101 -4.238 14.709 1.00 0.00 C ATOM 714 O ARG A 47 12.952 -3.445 13.781 1.00 0.00 O ATOM 715 CB ARG A 47 11.236 -5.136 16.113 1.00 0.00 C ATOM 716 CG ARG A 47 9.846 -5.739 15.982 1.00 0.00 C ATOM 717 CD ARG A 47 8.885 -4.779 15.298 1.00 0.00 C ATOM 718 NE ARG A 47 8.776 -3.511 16.015 1.00 0.00 N ATOM 719 CZ ARG A 47 7.861 -2.588 15.741 1.00 0.00 C ATOM 720 NH1 ARG A 47 6.979 -2.792 14.772 1.00 0.00 N ATOM 721 NH2 ARG A 47 7.825 -1.459 16.437 1.00 0.00 N ATOM 0 H ARG A 47 12.970 -6.946 16.054 1.00 0.00 H new ATOM 0 HA ARG A 47 11.517 -5.494 14.012 1.00 0.00 H new ATOM 0 HB2 ARG A 47 11.714 -5.537 17.007 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.144 -4.059 16.256 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.903 -6.666 15.412 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.464 -5.995 16.970 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.224 -4.591 14.279 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.900 -5.241 15.227 1.00 0.00 H new ATOM 0 HE ARG A 47 9.439 -3.324 16.767 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.002 -3.659 14.235 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.277 -2.082 14.563 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.501 -1.299 17.184 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.122 -0.751 16.225 1.00 0.00 H new ATOM 735 N ASN A 48 14.090 -4.140 15.592 1.00 0.00 N ATOM 736 CA ASN A 48 15.079 -3.071 15.516 1.00 0.00 C ATOM 737 C ASN A 48 16.230 -3.458 14.592 1.00 0.00 C ATOM 738 O ASN A 48 17.393 -3.186 14.886 1.00 0.00 O ATOM 739 CB ASN A 48 15.618 -2.747 16.911 1.00 0.00 C ATOM 740 CG ASN A 48 14.547 -2.195 17.831 1.00 0.00 C ATOM 741 OD1 ASN A 48 13.740 -1.356 17.429 1.00 0.00 O ATOM 742 ND2 ASN A 48 14.534 -2.664 19.073 1.00 0.00 N ATOM 0 H ASN A 48 14.228 -4.788 16.368 1.00 0.00 H new ATOM 0 HA ASN A 48 14.590 -2.187 15.107 1.00 0.00 H new ATOM 0 HB2 ASN A 48 16.042 -3.649 17.352 1.00 0.00 H new ATOM 0 HB3 ASN A 48 16.428 -2.023 16.825 1.00 0.00 H new ATOM 0 HD21 ASN A 48 13.836 -2.329 19.737 1.00 0.00 H new ATOM 0 HD22 ASN A 48 15.222 -3.359 19.363 1.00 0.00 H new ATOM 749 N GLN A 49 15.895 -4.094 13.474 1.00 0.00 N ATOM 750 CA GLN A 49 16.900 -4.518 12.506 1.00 0.00 C ATOM 751 C GLN A 49 16.458 -4.192 11.084 1.00 0.00 C ATOM 752 O GLN A 49 15.272 -3.996 10.820 1.00 0.00 O ATOM 753 CB GLN A 49 17.164 -6.019 12.639 1.00 0.00 C ATOM 754 CG GLN A 49 18.537 -6.441 12.141 1.00 0.00 C ATOM 755 CD GLN A 49 18.778 -7.931 12.285 1.00 0.00 C ATOM 756 OE1 GLN A 49 18.092 -8.745 11.667 1.00 0.00 O ATOM 757 NE2 GLN A 49 19.756 -8.296 13.105 1.00 0.00 N ATOM 0 H GLN A 49 14.936 -4.327 13.216 1.00 0.00 H new ATOM 0 HA GLN A 49 17.821 -3.974 12.714 1.00 0.00 H new ATOM 0 HB2 GLN A 49 17.062 -6.306 13.686 1.00 0.00 H new ATOM 0 HB3 GLN A 49 16.401 -6.564 12.083 1.00 0.00 H new ATOM 0 HG2 GLN A 49 18.641 -6.160 11.093 1.00 0.00 H new ATOM 0 HG3 GLN A 49 19.303 -5.898 12.695 1.00 0.00 H new ATOM 0 HE21 GLN A 49 20.300 -7.587 13.597 1.00 0.00 H new ATOM 0 HE22 GLN A 49 19.964 -9.285 13.243 1.00 0.00 H new ATOM 766 N LYS A 50 17.420 -4.134 10.169 1.00 0.00 N ATOM 767 CA LYS A 50 17.132 -3.833 8.772 1.00 0.00 C ATOM 768 C LYS A 50 16.222 -4.894 8.163 1.00 0.00 C ATOM 769 O LYS A 50 16.414 -6.095 8.355 1.00 0.00 O ATOM 770 CB LYS A 50 18.432 -3.739 7.970 1.00 0.00 C ATOM 771 CG LYS A 50 18.256 -3.118 6.596 1.00 0.00 C ATOM 772 CD LYS A 50 18.072 -1.612 6.683 1.00 0.00 C ATOM 773 CE LYS A 50 19.371 -0.913 7.051 1.00 0.00 C ATOM 774 NZ LYS A 50 19.428 0.473 6.509 1.00 0.00 N ATOM 0 H LYS A 50 18.407 -4.292 10.371 1.00 0.00 H new ATOM 0 HA LYS A 50 16.618 -2.873 8.732 1.00 0.00 H new ATOM 0 HB2 LYS A 50 19.156 -3.151 8.535 1.00 0.00 H new ATOM 0 HB3 LYS A 50 18.852 -4.738 7.857 1.00 0.00 H new ATOM 0 HG2 LYS A 50 19.126 -3.344 5.980 1.00 0.00 H new ATOM 0 HG3 LYS A 50 17.392 -3.563 6.103 1.00 0.00 H new ATOM 0 HD2 LYS A 50 17.711 -1.232 5.727 1.00 0.00 H new ATOM 0 HD3 LYS A 50 17.309 -1.380 7.426 1.00 0.00 H new ATOM 0 HE2 LYS A 50 19.473 -0.883 8.136 1.00 0.00 H new ATOM 0 HE3 LYS A 50 20.214 -1.488 6.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 20.329 0.916 6.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.357 0.443 5.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 18.638 1.029 6.895 1.00 0.00 H new ATOM 788 N PRO A 51 15.208 -4.444 7.409 1.00 0.00 N ATOM 789 CA PRO A 51 14.249 -5.339 6.755 1.00 0.00 C ATOM 790 C PRO A 51 14.879 -6.126 5.611 1.00 0.00 C ATOM 791 O PRO A 51 15.603 -5.568 4.786 1.00 0.00 O ATOM 792 CB PRO A 51 13.179 -4.384 6.222 1.00 0.00 C ATOM 793 CG PRO A 51 13.884 -3.083 6.049 1.00 0.00 C ATOM 794 CD PRO A 51 14.919 -3.026 7.138 1.00 0.00 C ATOM 0 HA PRO A 51 13.862 -6.094 7.440 1.00 0.00 H new ATOM 0 HB2 PRO A 51 12.766 -4.739 5.278 1.00 0.00 H new ATOM 0 HB3 PRO A 51 12.346 -4.293 6.920 1.00 0.00 H new ATOM 0 HG2 PRO A 51 14.349 -3.019 5.065 1.00 0.00 H new ATOM 0 HG3 PRO A 51 13.188 -2.248 6.128 1.00 0.00 H new ATOM 0 HD2 PRO A 51 15.811 -2.488 6.817 1.00 0.00 H new ATOM 0 HD3 PRO A 51 14.542 -2.516 8.025 1.00 0.00 H new ATOM 802 N ARG A 52 14.599 -7.425 5.567 1.00 0.00 N ATOM 803 CA ARG A 52 15.139 -8.288 4.523 1.00 0.00 C ATOM 804 C ARG A 52 14.755 -7.773 3.139 1.00 0.00 C ATOM 805 O ARG A 52 15.575 -7.758 2.222 1.00 0.00 O ATOM 806 CB ARG A 52 14.634 -9.720 4.705 1.00 0.00 C ATOM 807 CG ARG A 52 15.117 -10.379 5.987 1.00 0.00 C ATOM 808 CD ARG A 52 16.448 -11.084 5.783 1.00 0.00 C ATOM 809 NE ARG A 52 17.101 -11.398 7.051 1.00 0.00 N ATOM 810 CZ ARG A 52 18.250 -12.059 7.143 1.00 0.00 C ATOM 811 NH1 ARG A 52 18.869 -12.473 6.046 1.00 0.00 N ATOM 812 NH2 ARG A 52 18.781 -12.307 8.333 1.00 0.00 N ATOM 0 H ARG A 52 14.002 -7.902 6.242 1.00 0.00 H new ATOM 0 HA ARG A 52 16.226 -8.280 4.605 1.00 0.00 H new ATOM 0 HB2 ARG A 52 13.544 -9.715 4.697 1.00 0.00 H new ATOM 0 HB3 ARG A 52 14.956 -10.321 3.854 1.00 0.00 H new ATOM 0 HG2 ARG A 52 15.219 -9.626 6.769 1.00 0.00 H new ATOM 0 HG3 ARG A 52 14.373 -11.097 6.331 1.00 0.00 H new ATOM 0 HD2 ARG A 52 16.289 -12.004 5.220 1.00 0.00 H new ATOM 0 HD3 ARG A 52 17.104 -10.453 5.184 1.00 0.00 H new ATOM 0 HE ARG A 52 16.650 -11.093 7.914 1.00 0.00 H new ATOM 0 HH11 ARG A 52 18.463 -12.284 5.129 1.00 0.00 H new ATOM 0 HH12 ARG A 52 19.751 -12.980 6.119 1.00 0.00 H new ATOM 0 HH21 ARG A 52 18.307 -11.990 9.179 1.00 0.00 H new ATOM 0 HH22 ARG A 52 19.663 -12.815 8.402 1.00 0.00 H new ATOM 826 N GLY A 53 13.502 -7.352 2.996 1.00 0.00 N ATOM 827 CA GLY A 53 13.031 -6.843 1.721 1.00 0.00 C ATOM 828 C GLY A 53 11.868 -5.884 1.874 1.00 0.00 C ATOM 829 O GLY A 53 10.994 -6.084 2.719 1.00 0.00 O ATOM 0 H GLY A 53 12.805 -7.354 3.740 1.00 0.00 H new ATOM 0 HA2 GLY A 53 13.850 -6.337 1.210 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.729 -7.678 1.089 1.00 0.00 H new ATOM 833 N THR A 54 11.854 -4.837 1.054 1.00 0.00 N ATOM 834 CA THR A 54 10.791 -3.842 1.104 1.00 0.00 C ATOM 835 C THR A 54 10.169 -3.633 -0.272 1.00 0.00 C ATOM 836 O THR A 54 10.826 -3.819 -1.297 1.00 0.00 O ATOM 837 CB THR A 54 11.311 -2.490 1.630 1.00 0.00 C ATOM 838 OG1 THR A 54 12.252 -1.934 0.705 1.00 0.00 O ATOM 839 CG2 THR A 54 11.968 -2.656 2.991 1.00 0.00 C ATOM 0 H THR A 54 12.567 -4.657 0.348 1.00 0.00 H new ATOM 0 HA THR A 54 10.033 -4.223 1.789 1.00 0.00 H new ATOM 0 HB THR A 54 10.462 -1.814 1.734 1.00 0.00 H new ATOM 0 HG1 THR A 54 12.576 -1.074 1.046 1.00 0.00 H new ATOM 0 HG21 THR A 54 12.327 -1.689 3.342 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.241 -3.052 3.700 1.00 0.00 H new ATOM 0 HG23 THR A 54 12.807 -3.346 2.908 1.00 0.00 H new ATOM 847 N LEU A 55 8.898 -3.245 -0.289 1.00 0.00 N ATOM 848 CA LEU A 55 8.186 -3.011 -1.540 1.00 0.00 C ATOM 849 C LEU A 55 7.256 -1.808 -1.420 1.00 0.00 C ATOM 850 O LEU A 55 6.408 -1.754 -0.530 1.00 0.00 O ATOM 851 CB LEU A 55 7.385 -4.252 -1.934 1.00 0.00 C ATOM 852 CG LEU A 55 6.591 -4.153 -3.238 1.00 0.00 C ATOM 853 CD1 LEU A 55 7.490 -4.431 -4.432 1.00 0.00 C ATOM 854 CD2 LEU A 55 5.412 -5.115 -3.219 1.00 0.00 C ATOM 0 H LEU A 55 8.340 -3.086 0.550 1.00 0.00 H new ATOM 0 HA LEU A 55 8.923 -2.801 -2.315 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.073 -5.094 -2.014 1.00 0.00 H new ATOM 0 HB3 LEU A 55 6.691 -4.483 -1.126 1.00 0.00 H new ATOM 0 HG LEU A 55 6.204 -3.138 -3.330 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.908 -4.356 -5.351 1.00 0.00 H new ATOM 0 HD12 LEU A 55 8.300 -3.702 -4.455 1.00 0.00 H new ATOM 0 HD13 LEU A 55 7.907 -5.434 -4.347 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.859 -5.031 -4.154 1.00 0.00 H new ATOM 0 HD22 LEU A 55 5.777 -6.136 -3.104 1.00 0.00 H new ATOM 0 HD23 LEU A 55 4.755 -4.868 -2.385 1.00 0.00 H new ATOM 866 N GLN A 56 7.421 -0.846 -2.323 1.00 0.00 N ATOM 867 CA GLN A 56 6.594 0.355 -2.319 1.00 0.00 C ATOM 868 C GLN A 56 5.167 0.036 -2.751 1.00 0.00 C ATOM 869 O GLN A 56 4.949 -0.732 -3.690 1.00 0.00 O ATOM 870 CB GLN A 56 7.195 1.416 -3.243 1.00 0.00 C ATOM 871 CG GLN A 56 8.184 2.338 -2.549 1.00 0.00 C ATOM 872 CD GLN A 56 9.165 2.975 -3.514 1.00 0.00 C ATOM 873 OE1 GLN A 56 8.816 3.293 -4.651 1.00 0.00 O ATOM 874 NE2 GLN A 56 10.400 3.164 -3.064 1.00 0.00 N ATOM 0 H GLN A 56 8.119 -0.875 -3.066 1.00 0.00 H new ATOM 0 HA GLN A 56 6.566 0.743 -1.301 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.696 0.920 -4.075 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.389 2.015 -3.667 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.637 3.121 -2.023 1.00 0.00 H new ATOM 0 HG3 GLN A 56 8.735 1.773 -1.797 1.00 0.00 H new ATOM 0 HE21 GLN A 56 10.645 2.885 -2.114 1.00 0.00 H new ATOM 0 HE22 GLN A 56 11.104 3.588 -3.668 1.00 0.00 H new ATOM 883 N LEU A 57 4.199 0.628 -2.062 1.00 0.00 N ATOM 884 CA LEU A 57 2.791 0.407 -2.374 1.00 0.00 C ATOM 885 C LEU A 57 2.237 1.544 -3.226 1.00 0.00 C ATOM 886 O LEU A 57 1.407 1.325 -4.107 1.00 0.00 O ATOM 887 CB LEU A 57 1.977 0.275 -1.086 1.00 0.00 C ATOM 888 CG LEU A 57 2.149 -1.033 -0.313 1.00 0.00 C ATOM 889 CD1 LEU A 57 1.485 -0.938 1.051 1.00 0.00 C ATOM 890 CD2 LEU A 57 1.580 -2.200 -1.106 1.00 0.00 C ATOM 0 H LEU A 57 4.363 1.265 -1.283 1.00 0.00 H new ATOM 0 HA LEU A 57 2.712 -0.520 -2.942 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.242 1.101 -0.426 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.922 0.391 -1.333 1.00 0.00 H new ATOM 0 HG LEU A 57 3.215 -1.207 -0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 57 1.618 -1.878 1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.940 -0.128 1.621 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.421 -0.740 0.925 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.711 -3.123 -0.541 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.518 -2.033 -1.287 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.102 -2.281 -2.059 1.00 0.00 H new ATOM 902 N ALA A 58 2.704 2.759 -2.957 1.00 0.00 N ATOM 903 CA ALA A 58 2.258 3.930 -3.702 1.00 0.00 C ATOM 904 C ALA A 58 2.162 3.629 -5.193 1.00 0.00 C ATOM 905 O ALA A 58 3.171 3.599 -5.896 1.00 0.00 O ATOM 906 CB ALA A 58 3.199 5.101 -3.457 1.00 0.00 C ATOM 0 H ALA A 58 3.390 2.958 -2.229 1.00 0.00 H new ATOM 0 HA ALA A 58 1.262 4.198 -3.348 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.854 5.969 -4.019 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.213 5.340 -2.394 1.00 0.00 H new ATOM 0 HB3 ALA A 58 4.204 4.834 -3.782 1.00 0.00 H new ATOM 912 N GLY A 59 0.941 3.406 -5.670 1.00 0.00 N ATOM 913 CA GLY A 59 0.737 3.109 -7.076 1.00 0.00 C ATOM 914 C GLY A 59 0.865 1.630 -7.381 1.00 0.00 C ATOM 915 O GLY A 59 1.425 1.246 -8.407 1.00 0.00 O ATOM 0 H GLY A 59 0.090 3.426 -5.108 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.252 3.455 -7.377 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.463 3.663 -7.670 1.00 0.00 H new ATOM 919 N ALA A 60 0.345 0.796 -6.486 1.00 0.00 N ATOM 920 CA ALA A 60 0.403 -0.650 -6.664 1.00 0.00 C ATOM 921 C ALA A 60 -0.985 -1.227 -6.919 1.00 0.00 C ATOM 922 O ALA A 60 -1.995 -0.545 -6.743 1.00 0.00 O ATOM 923 CB ALA A 60 1.034 -1.307 -5.446 1.00 0.00 C ATOM 0 H ALA A 60 -0.121 1.097 -5.630 1.00 0.00 H new ATOM 0 HA ALA A 60 1.021 -0.859 -7.537 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.071 -2.386 -5.593 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.046 -0.925 -5.310 1.00 0.00 H new ATOM 0 HB3 ALA A 60 0.438 -1.081 -4.561 1.00 0.00 H new ATOM 929 N VAL A 61 -1.029 -2.489 -7.337 1.00 0.00 N ATOM 930 CA VAL A 61 -2.293 -3.158 -7.616 1.00 0.00 C ATOM 931 C VAL A 61 -2.427 -4.441 -6.803 1.00 0.00 C ATOM 932 O VAL A 61 -1.451 -5.163 -6.599 1.00 0.00 O ATOM 933 CB VAL A 61 -2.431 -3.496 -9.113 1.00 0.00 C ATOM 934 CG1 VAL A 61 -3.581 -4.466 -9.338 1.00 0.00 C ATOM 935 CG2 VAL A 61 -2.625 -2.227 -9.929 1.00 0.00 C ATOM 0 H VAL A 61 -0.203 -3.068 -7.490 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.086 -2.466 -7.332 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.512 -3.978 -9.446 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.663 -4.693 -10.401 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -3.395 -5.386 -8.784 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.511 -4.015 -8.991 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.721 -2.484 -10.984 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.528 -1.715 -9.597 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.765 -1.571 -9.792 1.00 0.00 H new ATOM 945 N ILE A 62 -3.642 -4.717 -6.341 1.00 0.00 N ATOM 946 CA ILE A 62 -3.904 -5.914 -5.550 1.00 0.00 C ATOM 947 C ILE A 62 -4.946 -6.800 -6.224 1.00 0.00 C ATOM 948 O ILE A 62 -6.125 -6.452 -6.286 1.00 0.00 O ATOM 949 CB ILE A 62 -4.389 -5.557 -4.133 1.00 0.00 C ATOM 950 CG1 ILE A 62 -3.297 -4.802 -3.372 1.00 0.00 C ATOM 951 CG2 ILE A 62 -4.794 -6.815 -3.380 1.00 0.00 C ATOM 952 CD1 ILE A 62 -3.206 -3.338 -3.740 1.00 0.00 C ATOM 0 H ILE A 62 -4.460 -4.129 -6.500 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.962 -6.457 -5.476 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.262 -4.909 -4.215 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.485 -4.888 -2.302 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -2.335 -5.277 -3.566 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -5.135 -6.547 -2.380 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -5.600 -7.316 -3.916 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -3.938 -7.485 -3.304 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -2.411 -2.866 -3.162 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.987 -3.243 -4.803 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -4.154 -2.848 -3.520 1.00 0.00 H new ATOM 964 N SER A 63 -4.503 -7.948 -6.726 1.00 0.00 N ATOM 965 CA SER A 63 -5.397 -8.885 -7.398 1.00 0.00 C ATOM 966 C SER A 63 -5.387 -10.241 -6.699 1.00 0.00 C ATOM 967 O SER A 63 -4.576 -11.117 -7.000 1.00 0.00 O ATOM 968 CB SER A 63 -4.989 -9.050 -8.863 1.00 0.00 C ATOM 969 OG SER A 63 -5.770 -10.046 -9.500 1.00 0.00 O ATOM 0 H SER A 63 -3.530 -8.252 -6.680 1.00 0.00 H new ATOM 0 HA SER A 63 -6.408 -8.480 -7.354 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.107 -8.101 -9.386 1.00 0.00 H new ATOM 0 HB3 SER A 63 -3.934 -9.317 -8.922 1.00 0.00 H new ATOM 0 HG SER A 63 -5.491 -10.132 -10.436 1.00 0.00 H new ATOM 975 N PRO A 64 -6.310 -10.419 -5.742 1.00 0.00 N ATOM 976 CA PRO A 64 -6.430 -11.666 -4.981 1.00 0.00 C ATOM 977 C PRO A 64 -6.948 -12.819 -5.833 1.00 0.00 C ATOM 978 O PRO A 64 -8.041 -12.746 -6.394 1.00 0.00 O ATOM 979 CB PRO A 64 -7.439 -11.316 -3.884 1.00 0.00 C ATOM 980 CG PRO A 64 -8.246 -10.201 -4.454 1.00 0.00 C ATOM 981 CD PRO A 64 -7.309 -9.418 -5.332 1.00 0.00 C ATOM 0 HA PRO A 64 -5.466 -12.005 -4.601 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -8.066 -12.172 -3.635 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -6.936 -11.012 -2.966 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -9.090 -10.584 -5.028 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -8.657 -9.573 -3.664 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -7.826 -8.991 -6.191 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -6.850 -8.590 -4.792 1.00 0.00 H new ATOM 989 N SER A 65 -6.157 -13.883 -5.926 1.00 0.00 N ATOM 990 CA SER A 65 -6.535 -15.051 -6.713 1.00 0.00 C ATOM 991 C SER A 65 -7.913 -15.560 -6.303 1.00 0.00 C ATOM 992 O SER A 65 -8.559 -14.994 -5.420 1.00 0.00 O ATOM 993 CB SER A 65 -5.498 -16.163 -6.545 1.00 0.00 C ATOM 994 OG SER A 65 -4.240 -15.770 -7.068 1.00 0.00 O ATOM 0 H SER A 65 -5.250 -13.960 -5.466 1.00 0.00 H new ATOM 0 HA SER A 65 -6.573 -14.755 -7.761 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.395 -16.412 -5.489 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.841 -17.064 -7.053 1.00 0.00 H new ATOM 0 HG SER A 65 -3.594 -16.497 -6.947 1.00 0.00 H new ATOM 1000 N ASP A 66 -8.358 -16.631 -6.950 1.00 0.00 N ATOM 1001 CA ASP A 66 -9.660 -17.218 -6.653 1.00 0.00 C ATOM 1002 C ASP A 66 -9.543 -18.726 -6.456 1.00 0.00 C ATOM 1003 O ASP A 66 -10.074 -19.279 -5.493 1.00 0.00 O ATOM 1004 CB ASP A 66 -10.650 -16.913 -7.778 1.00 0.00 C ATOM 1005 CG ASP A 66 -12.059 -17.363 -7.447 1.00 0.00 C ATOM 1006 OD1 ASP A 66 -12.441 -17.292 -6.261 1.00 0.00 O ATOM 1007 OD2 ASP A 66 -12.780 -17.788 -8.375 1.00 0.00 O ATOM 0 H ASP A 66 -7.837 -17.111 -7.684 1.00 0.00 H new ATOM 0 HA ASP A 66 -10.028 -16.776 -5.727 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.651 -15.841 -7.976 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.320 -17.406 -8.692 1.00 0.00 H new ATOM 1012 N GLU A 67 -8.846 -19.386 -7.375 1.00 0.00 N ATOM 1013 CA GLU A 67 -8.662 -20.831 -7.303 1.00 0.00 C ATOM 1014 C GLU A 67 -8.427 -21.278 -5.863 1.00 0.00 C ATOM 1015 O GLU A 67 -9.310 -21.858 -5.230 1.00 0.00 O ATOM 1016 CB GLU A 67 -7.485 -21.262 -8.180 1.00 0.00 C ATOM 1017 CG GLU A 67 -7.812 -21.294 -9.664 1.00 0.00 C ATOM 1018 CD GLU A 67 -6.672 -21.843 -10.501 1.00 0.00 C ATOM 1019 OE1 GLU A 67 -6.556 -23.082 -10.606 1.00 0.00 O ATOM 1020 OE2 GLU A 67 -5.897 -21.033 -11.050 1.00 0.00 O ATOM 0 H GLU A 67 -8.399 -18.943 -8.178 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.572 -21.306 -7.669 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.651 -20.580 -8.015 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.154 -22.252 -7.868 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.701 -21.904 -9.823 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.053 -20.286 -10.001 1.00 0.00 H new ATOM 1027 N ASP A 68 -7.232 -21.004 -5.352 1.00 0.00 N ATOM 1028 CA ASP A 68 -6.880 -21.377 -3.987 1.00 0.00 C ATOM 1029 C ASP A 68 -7.772 -20.658 -2.980 1.00 0.00 C ATOM 1030 O ASP A 68 -8.701 -19.943 -3.358 1.00 0.00 O ATOM 1031 CB ASP A 68 -5.411 -21.052 -3.709 1.00 0.00 C ATOM 1032 CG ASP A 68 -5.012 -19.686 -4.232 1.00 0.00 C ATOM 1033 OD1 ASP A 68 -5.712 -18.702 -3.915 1.00 0.00 O ATOM 1034 OD2 ASP A 68 -3.999 -19.601 -4.958 1.00 0.00 O ATOM 0 H ASP A 68 -6.490 -20.525 -5.863 1.00 0.00 H new ATOM 0 HA ASP A 68 -7.033 -22.451 -3.879 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -5.229 -21.094 -2.635 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -4.780 -21.813 -4.169 1.00 0.00 H new ATOM 1039 N SER A 69 -7.484 -20.852 -1.697 1.00 0.00 N ATOM 1040 CA SER A 69 -8.264 -20.226 -0.635 1.00 0.00 C ATOM 1041 C SER A 69 -7.600 -18.937 -0.162 1.00 0.00 C ATOM 1042 O SER A 69 -8.183 -17.856 -0.250 1.00 0.00 O ATOM 1043 CB SER A 69 -8.428 -21.190 0.542 1.00 0.00 C ATOM 1044 OG SER A 69 -8.733 -22.498 0.091 1.00 0.00 O ATOM 0 H SER A 69 -6.717 -21.437 -1.367 1.00 0.00 H new ATOM 0 HA SER A 69 -9.248 -19.982 -1.036 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.511 -21.210 1.131 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.221 -20.834 1.200 1.00 0.00 H new ATOM 0 HG SER A 69 -8.831 -23.095 0.862 1.00 0.00 H new ATOM 1050 N HIS A 70 -6.375 -19.059 0.339 1.00 0.00 N ATOM 1051 CA HIS A 70 -5.629 -17.903 0.826 1.00 0.00 C ATOM 1052 C HIS A 70 -4.470 -17.572 -0.108 1.00 0.00 C ATOM 1053 O HIS A 70 -3.450 -18.263 -0.120 1.00 0.00 O ATOM 1054 CB HIS A 70 -5.103 -18.167 2.237 1.00 0.00 C ATOM 1055 CG HIS A 70 -5.983 -19.071 3.045 1.00 0.00 C ATOM 1056 ND1 HIS A 70 -7.324 -19.248 3.028 1.00 0.00 N flip ATOM 1057 CD2 HIS A 70 -5.497 -19.928 4.010 1.00 0.00 C flip ATOM 1058 CE1 HIS A 70 -7.622 -20.200 3.972 1.00 0.00 C flip ATOM 1059 NE2 HIS A 70 -6.502 -20.594 4.551 1.00 0.00 N flip ATOM 0 H HIS A 70 -5.878 -19.946 0.419 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.306 -17.049 0.853 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -4.108 -18.608 2.169 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -4.995 -17.216 2.759 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -4.457 -20.038 4.281 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -8.611 -20.567 4.203 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -6.426 -21.293 5.290 1.00 0.00 H new ATOM 1068 N THR A 71 -4.632 -16.510 -0.892 1.00 0.00 N ATOM 1069 CA THR A 71 -3.600 -16.088 -1.830 1.00 0.00 C ATOM 1070 C THR A 71 -3.869 -14.679 -2.346 1.00 0.00 C ATOM 1071 O THR A 71 -5.006 -14.208 -2.332 1.00 0.00 O ATOM 1072 CB THR A 71 -3.503 -17.051 -3.029 1.00 0.00 C ATOM 1073 OG1 THR A 71 -3.406 -18.402 -2.565 1.00 0.00 O ATOM 1074 CG2 THR A 71 -2.297 -16.718 -3.894 1.00 0.00 C ATOM 0 H THR A 71 -5.469 -15.927 -0.895 1.00 0.00 H new ATOM 0 HA THR A 71 -2.655 -16.099 -1.286 1.00 0.00 H new ATOM 0 HB THR A 71 -4.404 -16.938 -3.632 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.910 -18.423 -1.720 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.249 -17.411 -4.734 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.389 -15.699 -4.269 1.00 0.00 H new ATOM 0 HG23 THR A 71 -1.388 -16.805 -3.299 1.00 0.00 H new ATOM 1082 N PHE A 72 -2.815 -14.010 -2.802 1.00 0.00 N ATOM 1083 CA PHE A 72 -2.937 -12.653 -3.322 1.00 0.00 C ATOM 1084 C PHE A 72 -1.608 -12.167 -3.891 1.00 0.00 C ATOM 1085 O PHE A 72 -0.538 -12.554 -3.420 1.00 0.00 O ATOM 1086 CB PHE A 72 -3.412 -11.703 -2.221 1.00 0.00 C ATOM 1087 CG PHE A 72 -2.540 -11.720 -0.997 1.00 0.00 C ATOM 1088 CD1 PHE A 72 -2.571 -12.795 -0.124 1.00 0.00 C ATOM 1089 CD2 PHE A 72 -1.690 -10.661 -0.721 1.00 0.00 C ATOM 1090 CE1 PHE A 72 -1.771 -12.813 1.003 1.00 0.00 C ATOM 1091 CE2 PHE A 72 -0.887 -10.674 0.404 1.00 0.00 C ATOM 1092 CZ PHE A 72 -0.927 -11.751 1.266 1.00 0.00 C ATOM 0 H PHE A 72 -1.867 -14.386 -2.822 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.673 -12.663 -4.126 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.448 -10.688 -2.618 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -4.430 -11.970 -1.936 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -3.228 -13.628 -0.326 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.655 -9.816 -1.393 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -1.806 -13.656 1.677 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.229 -9.842 0.608 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.300 -11.764 2.145 1.00 0.00 H new ATOM 1102 N THR A 73 -1.683 -11.314 -4.908 1.00 0.00 N ATOM 1103 CA THR A 73 -0.487 -10.776 -5.544 1.00 0.00 C ATOM 1104 C THR A 73 -0.442 -9.256 -5.433 1.00 0.00 C ATOM 1105 O THR A 73 -1.376 -8.566 -5.842 1.00 0.00 O ATOM 1106 CB THR A 73 -0.413 -11.173 -7.030 1.00 0.00 C ATOM 1107 OG1 THR A 73 -1.623 -10.799 -7.698 1.00 0.00 O ATOM 1108 CG2 THR A 73 -0.186 -12.670 -7.180 1.00 0.00 C ATOM 0 H THR A 73 -2.560 -10.981 -5.309 1.00 0.00 H new ATOM 0 HA THR A 73 0.368 -11.202 -5.019 1.00 0.00 H new ATOM 0 HB THR A 73 0.428 -10.647 -7.482 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.005 -10.008 -7.264 1.00 0.00 H new ATOM 0 HG21 THR A 73 -0.137 -12.926 -8.238 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.751 -12.946 -6.696 1.00 0.00 H new ATOM 0 HG23 THR A 73 -1.009 -13.211 -6.713 1.00 0.00 H new ATOM 1116 N VAL A 74 0.650 -8.739 -4.878 1.00 0.00 N ATOM 1117 CA VAL A 74 0.816 -7.300 -4.715 1.00 0.00 C ATOM 1118 C VAL A 74 1.754 -6.732 -5.775 1.00 0.00 C ATOM 1119 O VAL A 74 2.974 -6.770 -5.624 1.00 0.00 O ATOM 1120 CB VAL A 74 1.367 -6.953 -3.319 1.00 0.00 C ATOM 1121 CG1 VAL A 74 1.599 -5.455 -3.193 1.00 0.00 C ATOM 1122 CG2 VAL A 74 0.421 -7.447 -2.235 1.00 0.00 C ATOM 0 H VAL A 74 1.432 -9.296 -4.534 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.171 -6.852 -4.829 1.00 0.00 H new ATOM 0 HB VAL A 74 2.325 -7.457 -3.191 1.00 0.00 H new ATOM 0 HG11 VAL A 74 1.988 -5.229 -2.200 1.00 0.00 H new ATOM 0 HG12 VAL A 74 2.318 -5.134 -3.946 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.657 -4.927 -3.342 1.00 0.00 H new ATOM 0 HG21 VAL A 74 0.826 -7.193 -1.255 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -0.553 -6.974 -2.359 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.311 -8.529 -2.313 1.00 0.00 H new ATOM 1132 N ASN A 75 1.174 -6.204 -6.848 1.00 0.00 N ATOM 1133 CA ASN A 75 1.958 -5.628 -7.935 1.00 0.00 C ATOM 1134 C ASN A 75 2.578 -4.299 -7.512 1.00 0.00 C ATOM 1135 O ASN A 75 2.328 -3.808 -6.412 1.00 0.00 O ATOM 1136 CB ASN A 75 1.080 -5.424 -9.171 1.00 0.00 C ATOM 1137 CG ASN A 75 1.078 -6.635 -10.084 1.00 0.00 C ATOM 1138 OD1 ASN A 75 2.059 -6.906 -10.776 1.00 0.00 O ATOM 1139 ND2 ASN A 75 -0.029 -7.369 -10.090 1.00 0.00 N ATOM 0 H ASN A 75 0.165 -6.163 -6.988 1.00 0.00 H new ATOM 0 HA ASN A 75 2.762 -6.322 -8.179 1.00 0.00 H new ATOM 0 HB2 ASN A 75 0.059 -5.208 -8.857 1.00 0.00 H new ATOM 0 HB3 ASN A 75 1.434 -4.555 -9.725 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -0.090 -8.195 -10.685 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -0.818 -7.106 -9.500 1.00 0.00 H new ATOM 1146 N ALA A 76 3.387 -3.723 -8.395 1.00 0.00 N ATOM 1147 CA ALA A 76 4.040 -2.451 -8.116 1.00 0.00 C ATOM 1148 C ALA A 76 4.087 -1.572 -9.361 1.00 0.00 C ATOM 1149 O ALA A 76 4.215 -2.070 -10.479 1.00 0.00 O ATOM 1150 CB ALA A 76 5.445 -2.685 -7.580 1.00 0.00 C ATOM 0 H ALA A 76 3.606 -4.118 -9.310 1.00 0.00 H new ATOM 0 HA ALA A 76 3.455 -1.930 -7.358 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.921 -1.726 -7.376 1.00 0.00 H new ATOM 0 HB2 ALA A 76 5.391 -3.266 -6.660 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.031 -3.230 -8.320 1.00 0.00 H new ATOM 1156 N ALA A 77 3.980 -0.262 -9.160 1.00 0.00 N ATOM 1157 CA ALA A 77 4.012 0.685 -10.267 1.00 0.00 C ATOM 1158 C ALA A 77 5.206 0.425 -11.179 1.00 0.00 C ATOM 1159 O ALA A 77 5.062 0.348 -12.399 1.00 0.00 O ATOM 1160 CB ALA A 77 4.049 2.112 -9.739 1.00 0.00 C ATOM 0 H ALA A 77 3.870 0.167 -8.241 1.00 0.00 H new ATOM 0 HA ALA A 77 3.104 0.550 -10.855 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.073 2.809 -10.576 1.00 0.00 H new ATOM 0 HB2 ALA A 77 3.161 2.300 -9.135 1.00 0.00 H new ATOM 0 HB3 ALA A 77 4.940 2.250 -9.126 1.00 0.00 H new ATOM 1166 N SER A 78 6.384 0.291 -10.579 1.00 0.00 N ATOM 1167 CA SER A 78 7.605 0.044 -11.338 1.00 0.00 C ATOM 1168 C SER A 78 7.518 -1.281 -12.089 1.00 0.00 C ATOM 1169 O SER A 78 7.832 -1.356 -13.276 1.00 0.00 O ATOM 1170 CB SER A 78 8.818 0.038 -10.406 1.00 0.00 C ATOM 1171 OG SER A 78 9.100 1.341 -9.926 1.00 0.00 O ATOM 0 H SER A 78 6.519 0.349 -9.570 1.00 0.00 H new ATOM 0 HA SER A 78 7.720 0.847 -12.066 1.00 0.00 H new ATOM 0 HB2 SER A 78 8.631 -0.630 -9.565 1.00 0.00 H new ATOM 0 HB3 SER A 78 9.686 -0.353 -10.937 1.00 0.00 H new ATOM 0 HG SER A 78 9.878 1.309 -9.331 1.00 0.00 H new ATOM 1177 N GLY A 79 7.090 -2.325 -11.387 1.00 0.00 N ATOM 1178 CA GLY A 79 6.970 -3.634 -12.002 1.00 0.00 C ATOM 1179 C GLY A 79 7.504 -4.742 -11.116 1.00 0.00 C ATOM 1180 O GLY A 79 8.577 -5.286 -11.371 1.00 0.00 O ATOM 0 H GLY A 79 6.824 -2.288 -10.403 1.00 0.00 H new ATOM 0 HA2 GLY A 79 5.923 -3.830 -12.232 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.510 -3.638 -12.949 1.00 0.00 H new ATOM 1184 N GLU A 80 6.753 -5.076 -10.071 1.00 0.00 N ATOM 1185 CA GLU A 80 7.159 -6.125 -9.143 1.00 0.00 C ATOM 1186 C GLU A 80 5.948 -6.721 -8.432 1.00 0.00 C ATOM 1187 O GLU A 80 5.209 -6.015 -7.746 1.00 0.00 O ATOM 1188 CB GLU A 80 8.147 -5.572 -8.114 1.00 0.00 C ATOM 1189 CG GLU A 80 8.982 -6.645 -7.434 1.00 0.00 C ATOM 1190 CD GLU A 80 10.195 -6.077 -6.724 1.00 0.00 C ATOM 1191 OE1 GLU A 80 10.771 -5.091 -7.230 1.00 0.00 O ATOM 1192 OE2 GLU A 80 10.569 -6.618 -5.662 1.00 0.00 O ATOM 0 H GLU A 80 5.861 -4.636 -9.846 1.00 0.00 H new ATOM 0 HA GLU A 80 7.646 -6.913 -9.717 1.00 0.00 H new ATOM 0 HB2 GLU A 80 8.813 -4.863 -8.606 1.00 0.00 H new ATOM 0 HB3 GLU A 80 7.596 -5.017 -7.355 1.00 0.00 H new ATOM 0 HG2 GLU A 80 8.363 -7.181 -6.715 1.00 0.00 H new ATOM 0 HG3 GLU A 80 9.308 -7.372 -8.178 1.00 0.00 H new ATOM 1199 N GLN A 81 5.752 -8.025 -8.602 1.00 0.00 N ATOM 1200 CA GLN A 81 4.630 -8.716 -7.977 1.00 0.00 C ATOM 1201 C GLN A 81 5.096 -9.543 -6.783 1.00 0.00 C ATOM 1202 O GLN A 81 6.161 -10.159 -6.820 1.00 0.00 O ATOM 1203 CB GLN A 81 3.928 -9.617 -8.994 1.00 0.00 C ATOM 1204 CG GLN A 81 2.584 -10.142 -8.517 1.00 0.00 C ATOM 1205 CD GLN A 81 1.885 -10.992 -9.560 1.00 0.00 C ATOM 1206 OE1 GLN A 81 1.056 -10.499 -10.325 1.00 0.00 O ATOM 1207 NE2 GLN A 81 2.218 -12.277 -9.597 1.00 0.00 N ATOM 0 H GLN A 81 6.355 -8.623 -9.167 1.00 0.00 H new ATOM 0 HA GLN A 81 3.926 -7.964 -7.622 1.00 0.00 H new ATOM 0 HB2 GLN A 81 3.783 -9.061 -9.920 1.00 0.00 H new ATOM 0 HB3 GLN A 81 4.576 -10.462 -9.227 1.00 0.00 H new ATOM 0 HG2 GLN A 81 2.729 -10.731 -7.612 1.00 0.00 H new ATOM 0 HG3 GLN A 81 1.944 -9.301 -8.251 1.00 0.00 H new ATOM 0 HE21 GLN A 81 2.910 -12.643 -8.944 1.00 0.00 H new ATOM 0 HE22 GLN A 81 1.781 -12.898 -10.279 1.00 0.00 H new ATOM 1216 N TYR A 82 4.292 -9.551 -5.726 1.00 0.00 N ATOM 1217 CA TYR A 82 4.624 -10.300 -4.520 1.00 0.00 C ATOM 1218 C TYR A 82 3.608 -11.412 -4.272 1.00 0.00 C ATOM 1219 O TYR A 82 2.406 -11.163 -4.186 1.00 0.00 O ATOM 1220 CB TYR A 82 4.676 -9.364 -3.311 1.00 0.00 C ATOM 1221 CG TYR A 82 6.042 -8.761 -3.071 1.00 0.00 C ATOM 1222 CD1 TYR A 82 6.832 -8.336 -4.133 1.00 0.00 C ATOM 1223 CD2 TYR A 82 6.543 -8.618 -1.784 1.00 0.00 C ATOM 1224 CE1 TYR A 82 8.080 -7.786 -3.919 1.00 0.00 C ATOM 1225 CE2 TYR A 82 7.790 -8.067 -1.560 1.00 0.00 C ATOM 1226 CZ TYR A 82 8.555 -7.653 -2.630 1.00 0.00 C ATOM 1227 OH TYR A 82 9.798 -7.105 -2.412 1.00 0.00 O ATOM 0 H TYR A 82 3.406 -9.048 -5.680 1.00 0.00 H new ATOM 0 HA TYR A 82 5.605 -10.753 -4.663 1.00 0.00 H new ATOM 0 HB2 TYR A 82 3.953 -8.561 -3.453 1.00 0.00 H new ATOM 0 HB3 TYR A 82 4.370 -9.915 -2.422 1.00 0.00 H new ATOM 0 HD1 TYR A 82 6.463 -8.438 -5.143 1.00 0.00 H new ATOM 0 HD2 TYR A 82 5.948 -8.943 -0.944 1.00 0.00 H new ATOM 0 HE1 TYR A 82 8.681 -7.462 -4.755 1.00 0.00 H new ATOM 0 HE2 TYR A 82 8.164 -7.961 -0.552 1.00 0.00 H new ATOM 0 HH TYR A 82 9.981 -7.082 -1.450 1.00 0.00 H new ATOM 1237 N LYS A 83 4.102 -12.640 -4.158 1.00 0.00 N ATOM 1238 CA LYS A 83 3.241 -13.792 -3.918 1.00 0.00 C ATOM 1239 C LYS A 83 3.228 -14.163 -2.439 1.00 0.00 C ATOM 1240 O LYS A 83 4.041 -14.968 -1.983 1.00 0.00 O ATOM 1241 CB LYS A 83 3.710 -14.987 -4.750 1.00 0.00 C ATOM 1242 CG LYS A 83 2.686 -16.105 -4.840 1.00 0.00 C ATOM 1243 CD LYS A 83 2.961 -17.019 -6.023 1.00 0.00 C ATOM 1244 CE LYS A 83 2.248 -16.538 -7.277 1.00 0.00 C ATOM 1245 NZ LYS A 83 2.913 -17.027 -8.516 1.00 0.00 N ATOM 0 H LYS A 83 5.095 -12.863 -4.228 1.00 0.00 H new ATOM 0 HA LYS A 83 2.227 -13.525 -4.216 1.00 0.00 H new ATOM 0 HB2 LYS A 83 3.952 -14.646 -5.756 1.00 0.00 H new ATOM 0 HB3 LYS A 83 4.629 -15.382 -4.317 1.00 0.00 H new ATOM 0 HG2 LYS A 83 2.699 -16.687 -3.918 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.687 -15.678 -4.933 1.00 0.00 H new ATOM 0 HD2 LYS A 83 4.034 -17.063 -6.208 1.00 0.00 H new ATOM 0 HD3 LYS A 83 2.636 -18.032 -5.785 1.00 0.00 H new ATOM 0 HE2 LYS A 83 1.214 -16.881 -7.261 1.00 0.00 H new ATOM 0 HE3 LYS A 83 2.222 -15.448 -7.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 2.397 -16.677 -9.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 3.893 -16.679 -8.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 2.915 -18.067 -8.522 1.00 0.00 H new ATOM 1259 N LEU A 84 2.300 -13.572 -1.694 1.00 0.00 N ATOM 1260 CA LEU A 84 2.179 -13.842 -0.265 1.00 0.00 C ATOM 1261 C LEU A 84 0.914 -14.640 0.034 1.00 0.00 C ATOM 1262 O LEU A 84 0.082 -14.856 -0.847 1.00 0.00 O ATOM 1263 CB LEU A 84 2.167 -12.531 0.522 1.00 0.00 C ATOM 1264 CG LEU A 84 3.267 -11.528 0.173 1.00 0.00 C ATOM 1265 CD1 LEU A 84 3.055 -10.221 0.922 1.00 0.00 C ATOM 1266 CD2 LEU A 84 4.638 -12.109 0.487 1.00 0.00 C ATOM 0 H LEU A 84 1.620 -12.903 -2.056 1.00 0.00 H new ATOM 0 HA LEU A 84 3.041 -14.435 0.042 1.00 0.00 H new ATOM 0 HB2 LEU A 84 1.202 -12.048 0.370 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.242 -12.767 1.583 1.00 0.00 H new ATOM 0 HG LEU A 84 3.218 -11.322 -0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 84 3.847 -9.519 0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 84 2.089 -9.797 0.647 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.076 -10.409 1.995 1.00 0.00 H new ATOM 0 HD21 LEU A 84 5.409 -11.381 0.232 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.699 -12.345 1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 84 4.790 -13.018 -0.096 1.00 0.00 H new ATOM 1278 N ARG A 85 0.775 -15.073 1.282 1.00 0.00 N ATOM 1279 CA ARG A 85 -0.389 -15.846 1.698 1.00 0.00 C ATOM 1280 C ARG A 85 -0.798 -15.489 3.124 1.00 0.00 C ATOM 1281 O ARG A 85 0.048 -15.200 3.969 1.00 0.00 O ATOM 1282 CB ARG A 85 -0.095 -17.344 1.601 1.00 0.00 C ATOM 1283 CG ARG A 85 -1.180 -18.219 2.207 1.00 0.00 C ATOM 1284 CD ARG A 85 -0.610 -19.523 2.742 1.00 0.00 C ATOM 1285 NE ARG A 85 -1.607 -20.590 2.757 1.00 0.00 N ATOM 1286 CZ ARG A 85 -2.076 -21.174 1.660 1.00 0.00 C ATOM 1287 NH1 ARG A 85 -1.640 -20.795 0.466 1.00 0.00 N ATOM 1288 NH2 ARG A 85 -2.982 -22.138 1.755 1.00 0.00 N ATOM 0 H ARG A 85 1.454 -14.902 2.023 1.00 0.00 H new ATOM 0 HA ARG A 85 -1.214 -15.600 1.029 1.00 0.00 H new ATOM 0 HB2 ARG A 85 0.033 -17.613 0.553 1.00 0.00 H new ATOM 0 HB3 ARG A 85 0.850 -17.553 2.102 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -1.676 -17.679 3.014 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -1.938 -18.434 1.454 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.238 -19.827 2.128 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -0.232 -19.366 3.752 1.00 0.00 H new ATOM 0 HE ARG A 85 -1.963 -20.904 3.660 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -0.943 -20.054 0.389 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -2.001 -21.245 -0.375 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -3.320 -22.432 2.671 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -3.341 -22.585 0.912 1.00 0.00 H new ATOM 1302 N ALA A 86 -2.102 -15.510 3.383 1.00 0.00 N ATOM 1303 CA ALA A 86 -2.623 -15.190 4.706 1.00 0.00 C ATOM 1304 C ALA A 86 -2.802 -16.450 5.545 1.00 0.00 C ATOM 1305 O ALA A 86 -2.736 -17.567 5.030 1.00 0.00 O ATOM 1306 CB ALA A 86 -3.942 -14.441 4.587 1.00 0.00 C ATOM 0 H ALA A 86 -2.816 -15.745 2.694 1.00 0.00 H new ATOM 0 HA ALA A 86 -1.898 -14.550 5.209 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.320 -14.209 5.583 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.786 -13.515 4.033 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -4.667 -15.062 4.060 1.00 0.00 H new ATOM 1312 N THR A 87 -3.028 -16.265 6.842 1.00 0.00 N ATOM 1313 CA THR A 87 -3.215 -17.387 7.753 1.00 0.00 C ATOM 1314 C THR A 87 -4.513 -18.128 7.454 1.00 0.00 C ATOM 1315 O THR A 87 -4.600 -19.344 7.629 1.00 0.00 O ATOM 1316 CB THR A 87 -3.228 -16.923 9.222 1.00 0.00 C ATOM 1317 OG1 THR A 87 -3.212 -18.057 10.095 1.00 0.00 O ATOM 1318 CG2 THR A 87 -4.457 -16.073 9.509 1.00 0.00 C ATOM 0 H THR A 87 -3.086 -15.348 7.285 1.00 0.00 H new ATOM 0 HA THR A 87 -2.372 -18.061 7.601 1.00 0.00 H new ATOM 0 HB THR A 87 -2.338 -16.319 9.397 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.219 -17.753 11.027 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.445 -15.757 10.552 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.451 -15.195 8.863 1.00 0.00 H new ATOM 0 HG23 THR A 87 -5.357 -16.658 9.317 1.00 0.00 H new ATOM 1326 N ASP A 88 -5.520 -17.388 7.003 1.00 0.00 N ATOM 1327 CA ASP A 88 -6.815 -17.976 6.678 1.00 0.00 C ATOM 1328 C ASP A 88 -7.573 -17.103 5.683 1.00 0.00 C ATOM 1329 O ASP A 88 -7.190 -15.962 5.425 1.00 0.00 O ATOM 1330 CB ASP A 88 -7.646 -18.164 7.947 1.00 0.00 C ATOM 1331 CG ASP A 88 -7.417 -19.516 8.595 1.00 0.00 C ATOM 1332 OD1 ASP A 88 -7.540 -20.540 7.890 1.00 0.00 O ATOM 1333 OD2 ASP A 88 -7.114 -19.550 9.805 1.00 0.00 O ATOM 0 H ASP A 88 -5.465 -16.380 6.854 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.640 -18.950 6.220 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.399 -17.377 8.659 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -8.703 -18.055 7.705 1.00 0.00 H new ATOM 1338 N ALA A 89 -8.650 -17.647 5.127 1.00 0.00 N ATOM 1339 CA ALA A 89 -9.463 -16.918 4.161 1.00 0.00 C ATOM 1340 C ALA A 89 -10.127 -15.707 4.806 1.00 0.00 C ATOM 1341 O ALA A 89 -10.490 -14.748 4.124 1.00 0.00 O ATOM 1342 CB ALA A 89 -10.513 -17.837 3.554 1.00 0.00 C ATOM 0 H ALA A 89 -8.980 -18.591 5.329 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.807 -16.560 3.368 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.113 -17.279 2.835 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.021 -18.668 3.049 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.159 -18.223 4.343 1.00 0.00 H new ATOM 1348 N LYS A 90 -10.284 -15.756 6.124 1.00 0.00 N ATOM 1349 CA LYS A 90 -10.904 -14.662 6.863 1.00 0.00 C ATOM 1350 C LYS A 90 -9.904 -13.538 7.112 1.00 0.00 C ATOM 1351 O LYS A 90 -10.289 -12.407 7.408 1.00 0.00 O ATOM 1352 CB LYS A 90 -11.458 -15.170 8.196 1.00 0.00 C ATOM 1353 CG LYS A 90 -11.923 -14.060 9.124 1.00 0.00 C ATOM 1354 CD LYS A 90 -12.836 -14.591 10.215 1.00 0.00 C ATOM 1355 CE LYS A 90 -13.555 -13.463 10.939 1.00 0.00 C ATOM 1356 NZ LYS A 90 -12.708 -12.859 12.004 1.00 0.00 N ATOM 0 H LYS A 90 -9.990 -16.542 6.703 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.723 -14.269 6.261 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -12.293 -15.842 8.000 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -10.689 -15.755 8.700 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.057 -13.576 9.576 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -12.448 -13.299 8.547 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -13.569 -15.270 9.779 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -12.251 -15.169 10.930 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -13.839 -12.694 10.221 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -14.476 -13.844 11.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.234 -12.094 12.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -12.458 -13.587 12.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -11.840 -12.473 11.580 1.00 0.00 H new ATOM 1370 N GLU A 91 -8.619 -13.856 6.987 1.00 0.00 N ATOM 1371 CA GLU A 91 -7.565 -12.871 7.198 1.00 0.00 C ATOM 1372 C GLU A 91 -7.141 -12.236 5.876 1.00 0.00 C ATOM 1373 O GLU A 91 -6.754 -11.069 5.832 1.00 0.00 O ATOM 1374 CB GLU A 91 -6.356 -13.521 7.875 1.00 0.00 C ATOM 1375 CG GLU A 91 -5.192 -12.568 8.087 1.00 0.00 C ATOM 1376 CD GLU A 91 -4.331 -12.954 9.274 1.00 0.00 C ATOM 1377 OE1 GLU A 91 -4.854 -12.963 10.408 1.00 0.00 O ATOM 1378 OE2 GLU A 91 -3.135 -13.247 9.069 1.00 0.00 O ATOM 0 H GLU A 91 -8.283 -14.787 6.741 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.959 -12.089 7.847 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.664 -13.925 8.839 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.020 -14.363 7.269 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -4.576 -12.547 7.188 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.576 -11.559 8.234 1.00 0.00 H new ATOM 1385 N ARG A 92 -7.216 -13.015 4.802 1.00 0.00 N ATOM 1386 CA ARG A 92 -6.838 -12.531 3.479 1.00 0.00 C ATOM 1387 C ARG A 92 -7.550 -11.221 3.156 1.00 0.00 C ATOM 1388 O ARG A 92 -6.915 -10.235 2.782 1.00 0.00 O ATOM 1389 CB ARG A 92 -7.170 -13.579 2.415 1.00 0.00 C ATOM 1390 CG ARG A 92 -6.872 -13.122 0.997 1.00 0.00 C ATOM 1391 CD ARG A 92 -5.410 -13.337 0.638 1.00 0.00 C ATOM 1392 NE ARG A 92 -4.513 -12.858 1.686 1.00 0.00 N ATOM 1393 CZ ARG A 92 -4.126 -11.592 1.800 1.00 0.00 C ATOM 1394 NH1 ARG A 92 -4.555 -10.684 0.935 1.00 0.00 N ATOM 1395 NH2 ARG A 92 -3.307 -11.233 2.781 1.00 0.00 N ATOM 0 H ARG A 92 -7.535 -13.984 4.822 1.00 0.00 H new ATOM 0 HA ARG A 92 -5.763 -12.351 3.479 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -6.603 -14.487 2.622 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -8.226 -13.839 2.490 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -7.504 -13.669 0.297 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -7.122 -12.066 0.894 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -5.231 -14.398 0.465 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -5.186 -12.820 -0.295 1.00 0.00 H new ATOM 0 HE ARG A 92 -4.165 -13.532 2.368 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -5.184 -10.956 0.179 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -4.256 -9.713 1.025 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -2.974 -11.929 3.448 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -3.010 -10.261 2.868 1.00 0.00 H new ATOM 1409 N GLN A 93 -8.871 -11.218 3.304 1.00 0.00 N ATOM 1410 CA GLN A 93 -9.668 -10.029 3.026 1.00 0.00 C ATOM 1411 C GLN A 93 -9.167 -8.838 3.836 1.00 0.00 C ATOM 1412 O GLN A 93 -8.997 -7.740 3.304 1.00 0.00 O ATOM 1413 CB GLN A 93 -11.142 -10.293 3.342 1.00 0.00 C ATOM 1414 CG GLN A 93 -11.385 -10.755 4.770 1.00 0.00 C ATOM 1415 CD GLN A 93 -12.834 -11.119 5.026 1.00 0.00 C ATOM 1416 OE1 GLN A 93 -13.540 -11.576 4.127 1.00 0.00 O ATOM 1417 NE2 GLN A 93 -13.286 -10.917 6.259 1.00 0.00 N ATOM 0 H GLN A 93 -9.412 -12.025 3.615 1.00 0.00 H new ATOM 0 HA GLN A 93 -9.568 -9.793 1.967 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -11.712 -9.382 3.162 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -11.523 -11.049 2.655 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -10.755 -11.619 4.981 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -11.085 -9.966 5.459 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -12.666 -10.536 6.974 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -14.253 -11.143 6.491 1.00 0.00 H new ATOM 1426 N HIS A 94 -8.933 -9.060 5.125 1.00 0.00 N ATOM 1427 CA HIS A 94 -8.452 -8.004 6.008 1.00 0.00 C ATOM 1428 C HIS A 94 -7.258 -7.281 5.390 1.00 0.00 C ATOM 1429 O HIS A 94 -7.183 -6.053 5.416 1.00 0.00 O ATOM 1430 CB HIS A 94 -8.063 -8.585 7.368 1.00 0.00 C ATOM 1431 CG HIS A 94 -7.578 -7.556 8.342 1.00 0.00 C ATOM 1432 ND1 HIS A 94 -6.377 -7.407 8.948 1.00 0.00 N flip ATOM 1433 CD2 HIS A 94 -8.367 -6.522 8.800 1.00 0.00 C flip ATOM 1434 CE1 HIS A 94 -6.461 -6.297 9.751 1.00 0.00 C flip ATOM 1435 NE2 HIS A 94 -7.672 -5.780 9.643 1.00 0.00 N flip ATOM 0 H HIS A 94 -9.069 -9.962 5.581 1.00 0.00 H new ATOM 0 HA HIS A 94 -9.259 -7.284 6.146 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -8.924 -9.099 7.794 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -7.284 -9.334 7.225 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -9.393 -6.346 8.514 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -5.666 -5.909 10.371 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -8.012 -4.950 10.128 1.00 0.00 H new ATOM 1444 N TRP A 95 -6.329 -8.052 4.837 1.00 0.00 N ATOM 1445 CA TRP A 95 -5.138 -7.484 4.214 1.00 0.00 C ATOM 1446 C TRP A 95 -5.488 -6.795 2.900 1.00 0.00 C ATOM 1447 O TRP A 95 -5.308 -5.586 2.754 1.00 0.00 O ATOM 1448 CB TRP A 95 -4.096 -8.576 3.970 1.00 0.00 C ATOM 1449 CG TRP A 95 -3.236 -8.855 5.165 1.00 0.00 C ATOM 1450 CD1 TRP A 95 -3.350 -9.907 6.029 1.00 0.00 C ATOM 1451 CD2 TRP A 95 -2.133 -8.069 5.630 1.00 0.00 C ATOM 1452 NE1 TRP A 95 -2.384 -9.823 7.002 1.00 0.00 N ATOM 1453 CE2 TRP A 95 -1.624 -8.705 6.780 1.00 0.00 C ATOM 1454 CE3 TRP A 95 -1.525 -6.892 5.186 1.00 0.00 C ATOM 1455 CZ2 TRP A 95 -0.538 -8.200 7.489 1.00 0.00 C ATOM 1456 CZ3 TRP A 95 -0.447 -6.392 5.891 1.00 0.00 C ATOM 1457 CH2 TRP A 95 0.038 -7.046 7.032 1.00 0.00 C ATOM 0 H TRP A 95 -6.377 -9.070 4.807 1.00 0.00 H new ATOM 0 HA TRP A 95 -4.722 -6.740 4.893 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -4.605 -9.494 3.675 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -3.460 -8.281 3.135 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -4.091 -10.690 5.958 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -2.254 -10.486 7.766 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -1.891 -6.382 4.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -0.163 -8.701 8.369 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.030 -5.482 5.557 1.00 0.00 H new ATOM 0 HH2 TRP A 95 0.883 -6.631 7.561 1.00 0.00 H new ATOM 1468 N VAL A 96 -5.989 -7.571 1.944 1.00 0.00 N ATOM 1469 CA VAL A 96 -6.366 -7.035 0.642 1.00 0.00 C ATOM 1470 C VAL A 96 -7.015 -5.662 0.780 1.00 0.00 C ATOM 1471 O VAL A 96 -6.809 -4.780 -0.054 1.00 0.00 O ATOM 1472 CB VAL A 96 -7.336 -7.977 -0.095 1.00 0.00 C ATOM 1473 CG1 VAL A 96 -7.859 -7.321 -1.363 1.00 0.00 C ATOM 1474 CG2 VAL A 96 -6.655 -9.300 -0.412 1.00 0.00 C ATOM 0 H VAL A 96 -6.143 -8.574 2.047 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.449 -6.944 0.060 1.00 0.00 H new ATOM 0 HB VAL A 96 -8.185 -8.178 0.558 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -8.543 -8.002 -1.870 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -8.386 -6.402 -1.106 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -7.024 -7.088 -2.023 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -7.355 -9.954 -0.933 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.787 -9.120 -1.046 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -6.335 -9.776 0.515 1.00 0.00 H new ATOM 1484 N SER A 97 -7.799 -5.488 1.839 1.00 0.00 N ATOM 1485 CA SER A 97 -8.482 -4.223 2.085 1.00 0.00 C ATOM 1486 C SER A 97 -7.499 -3.161 2.570 1.00 0.00 C ATOM 1487 O SER A 97 -7.372 -2.096 1.966 1.00 0.00 O ATOM 1488 CB SER A 97 -9.595 -4.413 3.117 1.00 0.00 C ATOM 1489 OG SER A 97 -10.821 -4.748 2.489 1.00 0.00 O ATOM 0 H SER A 97 -7.977 -6.207 2.540 1.00 0.00 H new ATOM 0 HA SER A 97 -8.921 -3.886 1.146 1.00 0.00 H new ATOM 0 HB2 SER A 97 -9.315 -5.199 3.818 1.00 0.00 H new ATOM 0 HB3 SER A 97 -9.718 -3.498 3.697 1.00 0.00 H new ATOM 0 HG SER A 97 -11.516 -4.866 3.170 1.00 0.00 H new ATOM 1495 N ARG A 98 -6.807 -3.460 3.664 1.00 0.00 N ATOM 1496 CA ARG A 98 -5.837 -2.532 4.232 1.00 0.00 C ATOM 1497 C ARG A 98 -4.835 -2.078 3.174 1.00 0.00 C ATOM 1498 O ARG A 98 -4.601 -0.882 2.997 1.00 0.00 O ATOM 1499 CB ARG A 98 -5.099 -3.184 5.402 1.00 0.00 C ATOM 1500 CG ARG A 98 -5.997 -3.502 6.587 1.00 0.00 C ATOM 1501 CD ARG A 98 -6.186 -2.289 7.484 1.00 0.00 C ATOM 1502 NE ARG A 98 -6.584 -2.665 8.838 1.00 0.00 N ATOM 1503 CZ ARG A 98 -6.897 -1.786 9.783 1.00 0.00 C ATOM 1504 NH1 ARG A 98 -6.861 -0.487 9.523 1.00 0.00 N ATOM 1505 NH2 ARG A 98 -7.249 -2.207 10.991 1.00 0.00 N ATOM 0 H ARG A 98 -6.900 -4.338 4.175 1.00 0.00 H new ATOM 0 HA ARG A 98 -6.378 -1.658 4.595 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -4.628 -4.104 5.056 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -4.299 -2.521 5.731 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -6.967 -3.845 6.228 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -5.564 -4.319 7.164 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -5.257 -1.720 7.524 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -6.943 -1.634 7.053 1.00 0.00 H new ATOM 0 HE ARG A 98 -6.624 -3.657 9.071 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -6.592 -0.160 8.595 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -7.102 0.186 10.251 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -7.279 -3.206 11.194 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -7.489 -1.532 11.717 1.00 0.00 H new ATOM 1519 N LEU A 99 -4.246 -3.041 2.473 1.00 0.00 N ATOM 1520 CA LEU A 99 -3.269 -2.742 1.433 1.00 0.00 C ATOM 1521 C LEU A 99 -3.885 -1.875 0.339 1.00 0.00 C ATOM 1522 O LEU A 99 -3.286 -0.894 -0.099 1.00 0.00 O ATOM 1523 CB LEU A 99 -2.726 -4.037 0.827 1.00 0.00 C ATOM 1524 CG LEU A 99 -2.212 -5.079 1.822 1.00 0.00 C ATOM 1525 CD1 LEU A 99 -2.297 -6.475 1.224 1.00 0.00 C ATOM 1526 CD2 LEU A 99 -0.783 -4.761 2.236 1.00 0.00 C ATOM 0 H LEU A 99 -4.428 -4.036 2.606 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.448 -2.190 1.890 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -3.514 -4.493 0.228 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -1.914 -3.783 0.145 1.00 0.00 H new ATOM 0 HG LEU A 99 -2.842 -5.047 2.711 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.927 -7.203 1.946 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -3.334 -6.703 0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.691 -6.521 0.319 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.434 -5.512 2.944 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -0.140 -4.765 1.356 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.750 -3.778 2.705 1.00 0.00 H new ATOM 1538 N GLN A 100 -5.087 -2.244 -0.094 1.00 0.00 N ATOM 1539 CA GLN A 100 -5.785 -1.499 -1.135 1.00 0.00 C ATOM 1540 C GLN A 100 -6.036 -0.060 -0.699 1.00 0.00 C ATOM 1541 O GLN A 100 -6.098 0.848 -1.528 1.00 0.00 O ATOM 1542 CB GLN A 100 -7.111 -2.180 -1.476 1.00 0.00 C ATOM 1543 CG GLN A 100 -6.998 -3.212 -2.587 1.00 0.00 C ATOM 1544 CD GLN A 100 -8.309 -3.432 -3.316 1.00 0.00 C ATOM 1545 OE1 GLN A 100 -9.194 -2.577 -3.295 1.00 0.00 O ATOM 1546 NE2 GLN A 100 -8.439 -4.583 -3.965 1.00 0.00 N ATOM 0 H GLN A 100 -5.597 -3.054 0.260 1.00 0.00 H new ATOM 0 HA GLN A 100 -5.153 -1.485 -2.023 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -7.502 -2.664 -0.581 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -7.835 -1.420 -1.770 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -6.240 -2.890 -3.301 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -6.658 -4.158 -2.166 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -7.679 -5.263 -3.955 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -9.299 -4.787 -4.474 1.00 0.00 H new ATOM 1555 N ILE A 101 -6.180 0.141 0.607 1.00 0.00 N ATOM 1556 CA ILE A 101 -6.424 1.471 1.152 1.00 0.00 C ATOM 1557 C ILE A 101 -5.123 2.253 1.297 1.00 0.00 C ATOM 1558 O ILE A 101 -5.029 3.406 0.874 1.00 0.00 O ATOM 1559 CB ILE A 101 -7.120 1.397 2.524 1.00 0.00 C ATOM 1560 CG1 ILE A 101 -8.460 0.668 2.402 1.00 0.00 C ATOM 1561 CG2 ILE A 101 -7.322 2.794 3.091 1.00 0.00 C ATOM 1562 CD1 ILE A 101 -8.877 -0.046 3.669 1.00 0.00 C ATOM 0 H ILE A 101 -6.132 -0.600 1.307 1.00 0.00 H new ATOM 0 HA ILE A 101 -7.078 1.986 0.448 1.00 0.00 H new ATOM 0 HB ILE A 101 -6.483 0.836 3.208 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -9.232 1.387 2.129 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -8.398 -0.056 1.590 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -7.815 2.725 4.061 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -6.355 3.282 3.209 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -7.941 3.377 2.410 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -9.835 -0.540 3.510 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -8.125 -0.789 3.932 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -8.972 0.677 4.479 1.00 0.00 H new ATOM 1574 N CYS A 102 -4.120 1.618 1.894 1.00 0.00 N ATOM 1575 CA CYS A 102 -2.823 2.253 2.093 1.00 0.00 C ATOM 1576 C CYS A 102 -2.169 2.585 0.756 1.00 0.00 C ATOM 1577 O CYS A 102 -1.600 3.663 0.580 1.00 0.00 O ATOM 1578 CB CYS A 102 -1.906 1.343 2.912 1.00 0.00 C ATOM 1579 SG CYS A 102 -2.017 1.598 4.699 1.00 0.00 S ATOM 0 H CYS A 102 -4.181 0.664 2.249 1.00 0.00 H new ATOM 0 HA CYS A 102 -2.982 3.183 2.640 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -2.149 0.304 2.688 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -0.875 1.505 2.596 1.00 0.00 H new ATOM 0 HG CYS A 102 -0.829 1.525 5.222 1.00 0.00 H new ATOM 1585 N THR A 103 -2.251 1.649 -0.185 1.00 0.00 N ATOM 1586 CA THR A 103 -1.665 1.840 -1.506 1.00 0.00 C ATOM 1587 C THR A 103 -2.317 3.010 -2.233 1.00 0.00 C ATOM 1588 O THR A 103 -1.635 3.814 -2.869 1.00 0.00 O ATOM 1589 CB THR A 103 -1.803 0.572 -2.370 1.00 0.00 C ATOM 1590 OG1 THR A 103 -0.925 0.651 -3.499 1.00 0.00 O ATOM 1591 CG2 THR A 103 -3.236 0.395 -2.846 1.00 0.00 C ATOM 0 H THR A 103 -2.718 0.751 -0.056 1.00 0.00 H new ATOM 0 HA THR A 103 -0.607 2.054 -1.355 1.00 0.00 H new ATOM 0 HB THR A 103 -1.532 -0.289 -1.759 1.00 0.00 H new ATOM 0 HG1 THR A 103 -0.139 1.188 -3.265 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.309 -0.507 -3.454 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.897 0.306 -1.984 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.531 1.259 -3.442 1.00 0.00 H new ATOM 1599 N GLN A 104 -3.639 3.100 -2.134 1.00 0.00 N ATOM 1600 CA GLN A 104 -4.382 4.173 -2.783 1.00 0.00 C ATOM 1601 C GLN A 104 -4.271 5.470 -1.989 1.00 0.00 C ATOM 1602 O GLN A 104 -3.702 6.454 -2.463 1.00 0.00 O ATOM 1603 CB GLN A 104 -5.853 3.782 -2.940 1.00 0.00 C ATOM 1604 CG GLN A 104 -6.630 4.698 -3.871 1.00 0.00 C ATOM 1605 CD GLN A 104 -8.106 4.355 -3.928 1.00 0.00 C ATOM 1606 OE1 GLN A 104 -8.701 3.953 -2.928 1.00 0.00 O ATOM 1607 NE2 GLN A 104 -8.706 4.515 -5.102 1.00 0.00 N ATOM 0 H GLN A 104 -4.217 2.443 -1.611 1.00 0.00 H new ATOM 0 HA GLN A 104 -3.949 4.334 -3.770 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -5.911 2.761 -3.317 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -6.328 3.787 -1.959 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -6.513 5.730 -3.540 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -6.207 4.635 -4.874 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -8.174 4.851 -5.905 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -9.699 4.302 -5.201 1.00 0.00 H new ATOM 1616 N HIS A 105 -4.818 5.465 -0.777 1.00 0.00 N ATOM 1617 CA HIS A 105 -4.780 6.642 0.084 1.00 0.00 C ATOM 1618 C HIS A 105 -3.442 7.365 -0.044 1.00 0.00 C ATOM 1619 O HIS A 105 -3.359 8.578 0.154 1.00 0.00 O ATOM 1620 CB HIS A 105 -5.020 6.243 1.540 1.00 0.00 C ATOM 1621 CG HIS A 105 -5.579 7.350 2.380 1.00 0.00 C ATOM 1622 ND1 HIS A 105 -6.816 7.915 2.153 1.00 0.00 N ATOM 1623 CD2 HIS A 105 -5.064 7.994 3.453 1.00 0.00 C ATOM 1624 CE1 HIS A 105 -7.037 8.861 3.048 1.00 0.00 C ATOM 1625 NE2 HIS A 105 -5.989 8.929 3.849 1.00 0.00 N ATOM 0 H HIS A 105 -5.293 4.659 -0.369 1.00 0.00 H new ATOM 0 HA HIS A 105 -5.572 7.320 -0.234 1.00 0.00 H new ATOM 0 HB2 HIS A 105 -5.705 5.396 1.568 1.00 0.00 H new ATOM 0 HB3 HIS A 105 -4.079 5.907 1.976 1.00 0.00 H new ATOM 0 HD2 HIS A 105 -4.105 7.808 3.912 1.00 0.00 H new ATOM 0 HE1 HIS A 105 -7.924 9.474 3.114 1.00 0.00 H new ATOM 0 HE2 HIS A 105 -5.884 9.572 4.634 1.00 0.00 H new ATOM 1634 N HIS A 106 -2.397 6.613 -0.375 1.00 0.00 N ATOM 1635 CA HIS A 106 -1.063 7.183 -0.528 1.00 0.00 C ATOM 1636 C HIS A 106 -0.873 7.749 -1.932 1.00 0.00 C ATOM 1637 O HIS A 106 -0.680 8.952 -2.108 1.00 0.00 O ATOM 1638 CB HIS A 106 0.002 6.124 -0.243 1.00 0.00 C ATOM 1639 CG HIS A 106 0.370 6.019 1.205 1.00 0.00 C ATOM 1640 ND1 HIS A 106 -0.403 5.880 2.307 1.00 0.00 N flip ATOM 1641 CD2 HIS A 106 1.673 6.056 1.655 1.00 0.00 C flip ATOM 1642 CE1 HIS A 106 0.438 5.834 3.391 1.00 0.00 C flip ATOM 1643 NE2 HIS A 106 1.685 5.941 2.971 1.00 0.00 N flip ATOM 0 H HIS A 106 -2.448 5.608 -0.542 1.00 0.00 H new ATOM 0 HA HIS A 106 -0.957 7.996 0.190 1.00 0.00 H new ATOM 0 HB2 HIS A 106 -0.359 5.155 -0.589 1.00 0.00 H new ATOM 0 HB3 HIS A 106 0.897 6.356 -0.821 1.00 0.00 H new ATOM 0 HD1 HIS A 106 -1.421 5.820 2.328 1.00 0.00 H new ATOM 0 HD2 HIS A 106 2.547 6.162 1.029 1.00 0.00 H new ATOM 0 HE1 HIS A 106 0.130 5.728 4.421 1.00 0.00 H new ATOM 1652 N THR A 107 -0.927 6.872 -2.931 1.00 0.00 N ATOM 1653 CA THR A 107 -0.758 7.284 -4.319 1.00 0.00 C ATOM 1654 C THR A 107 -1.571 8.536 -4.624 1.00 0.00 C ATOM 1655 O THR A 107 -1.196 9.338 -5.479 1.00 0.00 O ATOM 1656 CB THR A 107 -1.175 6.164 -5.291 1.00 0.00 C ATOM 1657 OG1 THR A 107 -0.479 6.310 -6.534 1.00 0.00 O ATOM 1658 CG2 THR A 107 -2.676 6.194 -5.538 1.00 0.00 C ATOM 0 H THR A 107 -1.086 5.873 -2.804 1.00 0.00 H new ATOM 0 HA THR A 107 0.301 7.500 -4.458 1.00 0.00 H new ATOM 0 HB THR A 107 -0.916 5.206 -4.840 1.00 0.00 H new ATOM 0 HG1 THR A 107 -0.748 5.593 -7.146 1.00 0.00 H new ATOM 0 HG21 THR A 107 -2.947 5.394 -6.227 1.00 0.00 H new ATOM 0 HG22 THR A 107 -3.203 6.054 -4.594 1.00 0.00 H new ATOM 0 HG23 THR A 107 -2.955 7.155 -5.970 1.00 0.00 H new ATOM 1666 N GLU A 108 -2.687 8.698 -3.919 1.00 0.00 N ATOM 1667 CA GLU A 108 -3.553 9.854 -4.115 1.00 0.00 C ATOM 1668 C GLU A 108 -2.855 11.138 -3.677 1.00 0.00 C ATOM 1669 O GLU A 108 -2.694 12.070 -4.464 1.00 0.00 O ATOM 1670 CB GLU A 108 -4.859 9.680 -3.337 1.00 0.00 C ATOM 1671 CG GLU A 108 -6.042 10.399 -3.964 1.00 0.00 C ATOM 1672 CD GLU A 108 -7.136 10.706 -2.960 1.00 0.00 C ATOM 1673 OE1 GLU A 108 -7.599 9.767 -2.280 1.00 0.00 O ATOM 1674 OE2 GLU A 108 -7.528 11.887 -2.854 1.00 0.00 O ATOM 0 H GLU A 108 -3.012 8.043 -3.208 1.00 0.00 H new ATOM 0 HA GLU A 108 -3.780 9.929 -5.179 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -5.089 8.617 -3.262 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -4.718 10.048 -2.321 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -5.699 11.329 -4.417 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -6.452 9.785 -4.766 1.00 0.00 H new ATOM 1681 N ALA A 109 -2.442 11.179 -2.414 1.00 0.00 N ATOM 1682 CA ALA A 109 -1.759 12.347 -1.871 1.00 0.00 C ATOM 1683 C ALA A 109 -0.832 12.972 -2.907 1.00 0.00 C ATOM 1684 O ALA A 109 -0.729 14.196 -3.003 1.00 0.00 O ATOM 1685 CB ALA A 109 -0.979 11.968 -0.621 1.00 0.00 C ATOM 0 H ALA A 109 -2.569 10.417 -1.748 1.00 0.00 H new ATOM 0 HA ALA A 109 -2.513 13.087 -1.604 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -0.474 12.849 -0.226 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -1.664 11.575 0.130 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -0.239 11.207 -0.870 1.00 0.00 H new ATOM 1691 N ILE A 110 -0.158 12.126 -3.679 1.00 0.00 N ATOM 1692 CA ILE A 110 0.760 12.597 -4.708 1.00 0.00 C ATOM 1693 C ILE A 110 0.041 13.472 -5.728 1.00 0.00 C ATOM 1694 O ILE A 110 0.465 14.592 -6.010 1.00 0.00 O ATOM 1695 CB ILE A 110 1.435 11.422 -5.440 1.00 0.00 C ATOM 1696 CG1 ILE A 110 2.172 10.526 -4.443 1.00 0.00 C ATOM 1697 CG2 ILE A 110 2.393 11.941 -6.503 1.00 0.00 C ATOM 1698 CD1 ILE A 110 2.375 9.111 -4.937 1.00 0.00 C ATOM 0 H ILE A 110 -0.231 11.111 -3.611 1.00 0.00 H new ATOM 0 HA ILE A 110 1.525 13.187 -4.203 1.00 0.00 H new ATOM 0 HB ILE A 110 0.664 10.828 -5.931 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.143 10.967 -4.220 1.00 0.00 H new ATOM 0 HG13 ILE A 110 1.612 10.499 -3.508 1.00 0.00 H new ATOM 0 HG21 ILE A 110 2.863 11.099 -7.012 1.00 0.00 H new ATOM 0 HG22 ILE A 110 1.842 12.541 -7.227 1.00 0.00 H new ATOM 0 HG23 ILE A 110 3.161 12.555 -6.032 1.00 0.00 H new ATOM 0 HD11 ILE A 110 2.904 8.533 -4.179 1.00 0.00 H new ATOM 0 HD12 ILE A 110 1.406 8.652 -5.133 1.00 0.00 H new ATOM 0 HD13 ILE A 110 2.962 9.127 -5.856 1.00 0.00 H new ATOM 1710 N GLY A 111 -1.052 12.953 -6.279 1.00 0.00 N ATOM 1711 CA GLY A 111 -1.815 13.701 -7.261 1.00 0.00 C ATOM 1712 C GLY A 111 -3.037 14.368 -6.661 1.00 0.00 C ATOM 1713 O GLY A 111 -3.285 14.262 -5.460 1.00 0.00 O ATOM 0 H GLY A 111 -1.423 12.028 -6.063 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -1.176 14.460 -7.712 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -2.127 13.030 -8.061 1.00 0.00 H new ATOM 1717 N LYS A 112 -3.803 15.059 -7.499 1.00 0.00 N ATOM 1718 CA LYS A 112 -5.006 15.746 -7.046 1.00 0.00 C ATOM 1719 C LYS A 112 -6.170 15.492 -7.999 1.00 0.00 C ATOM 1720 O LYS A 112 -6.216 16.043 -9.097 1.00 0.00 O ATOM 1721 CB LYS A 112 -4.747 17.250 -6.931 1.00 0.00 C ATOM 1722 CG LYS A 112 -3.841 17.796 -8.021 1.00 0.00 C ATOM 1723 CD LYS A 112 -2.375 17.675 -7.641 1.00 0.00 C ATOM 1724 CE LYS A 112 -1.899 18.890 -6.860 1.00 0.00 C ATOM 1725 NZ LYS A 112 -2.272 20.164 -7.535 1.00 0.00 N ATOM 0 H LYS A 112 -3.611 15.158 -8.496 1.00 0.00 H new ATOM 0 HA LYS A 112 -5.270 15.353 -6.064 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -5.700 17.778 -6.964 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -4.300 17.460 -5.959 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -4.023 17.256 -8.950 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -4.084 18.842 -8.207 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -2.226 16.776 -7.043 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -1.773 17.562 -8.542 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -2.330 18.870 -5.859 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -0.816 18.845 -6.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -1.583 20.902 -7.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -2.274 20.023 -8.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -3.220 20.457 -7.224 1.00 0.00 H new ATOM 1739 N ASN A 113 -7.109 14.655 -7.569 1.00 0.00 N ATOM 1740 CA ASN A 113 -8.273 14.329 -8.384 1.00 0.00 C ATOM 1741 C ASN A 113 -9.562 14.506 -7.587 1.00 0.00 C ATOM 1742 O ASN A 113 -9.606 14.228 -6.390 1.00 0.00 O ATOM 1743 CB ASN A 113 -8.174 12.893 -8.902 1.00 0.00 C ATOM 1744 CG ASN A 113 -8.896 12.703 -10.222 1.00 0.00 C ATOM 1745 OD1 ASN A 113 -9.403 13.659 -10.808 1.00 0.00 O ATOM 1746 ND2 ASN A 113 -8.946 11.463 -10.695 1.00 0.00 N ATOM 0 H ASN A 113 -7.086 14.191 -6.661 1.00 0.00 H new ATOM 0 HA ASN A 113 -8.294 15.013 -9.232 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -7.124 12.625 -9.023 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -8.593 12.213 -8.161 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -9.419 11.273 -11.578 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -8.511 10.701 -10.175 1.00 0.00 H new ATOM 1753 N ASN A 114 -10.610 14.969 -8.262 1.00 0.00 N ATOM 1754 CA ASN A 114 -11.900 15.183 -7.617 1.00 0.00 C ATOM 1755 C ASN A 114 -12.717 13.895 -7.594 1.00 0.00 C ATOM 1756 O ASN A 114 -13.463 13.604 -8.529 1.00 0.00 O ATOM 1757 CB ASN A 114 -12.680 16.282 -8.341 1.00 0.00 C ATOM 1758 CG ASN A 114 -12.834 16.000 -9.823 1.00 0.00 C ATOM 1759 OD1 ASN A 114 -11.994 15.337 -10.431 1.00 0.00 O ATOM 1760 ND2 ASN A 114 -13.913 16.505 -10.412 1.00 0.00 N ATOM 0 H ASN A 114 -10.591 15.203 -9.255 1.00 0.00 H new ATOM 0 HA ASN A 114 -11.716 15.494 -6.589 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -13.667 16.382 -7.888 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -12.169 17.235 -8.206 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -14.071 16.349 -11.408 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -14.583 17.049 -9.869 1.00 0.00 H new ATOM 1767 N SER A 115 -12.571 13.127 -6.519 1.00 0.00 N ATOM 1768 CA SER A 115 -13.293 11.868 -6.375 1.00 0.00 C ATOM 1769 C SER A 115 -13.305 11.412 -4.919 1.00 0.00 C ATOM 1770 O SER A 115 -12.267 11.068 -4.356 1.00 0.00 O ATOM 1771 CB SER A 115 -12.657 10.788 -7.254 1.00 0.00 C ATOM 1772 OG SER A 115 -11.398 10.389 -6.741 1.00 0.00 O ATOM 0 H SER A 115 -11.959 13.354 -5.735 1.00 0.00 H new ATOM 0 HA SER A 115 -14.322 12.029 -6.696 1.00 0.00 H new ATOM 0 HB2 SER A 115 -13.320 9.925 -7.312 1.00 0.00 H new ATOM 0 HB3 SER A 115 -12.536 11.166 -8.269 1.00 0.00 H new ATOM 0 HG SER A 115 -11.308 10.700 -5.816 1.00 0.00 H new ATOM 1778 N GLY A 116 -14.490 11.413 -4.315 1.00 0.00 N ATOM 1779 CA GLY A 116 -14.617 10.998 -2.931 1.00 0.00 C ATOM 1780 C GLY A 116 -16.006 10.486 -2.604 1.00 0.00 C ATOM 1781 O GLY A 116 -17.000 10.902 -3.200 1.00 0.00 O ATOM 0 H GLY A 116 -15.364 11.694 -4.760 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -13.886 10.217 -2.721 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -14.381 11.839 -2.280 1.00 0.00 H new ATOM 1785 N PRO A 117 -16.087 9.561 -1.636 1.00 0.00 N ATOM 1786 CA PRO A 117 -17.360 8.971 -1.210 1.00 0.00 C ATOM 1787 C PRO A 117 -18.241 9.968 -0.466 1.00 0.00 C ATOM 1788 O PRO A 117 -17.840 11.108 -0.228 1.00 0.00 O ATOM 1789 CB PRO A 117 -16.930 7.836 -0.277 1.00 0.00 C ATOM 1790 CG PRO A 117 -15.594 8.251 0.234 1.00 0.00 C ATOM 1791 CD PRO A 117 -14.944 9.019 -0.884 1.00 0.00 C ATOM 0 HA PRO A 117 -17.960 8.640 -2.058 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -17.641 7.702 0.538 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -16.873 6.886 -0.809 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -15.692 8.869 1.127 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -14.995 7.383 0.511 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -14.300 9.812 -0.505 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -14.323 8.374 -1.506 1.00 0.00 H new ATOM 1799 N SER A 118 -19.442 9.532 -0.099 1.00 0.00 N ATOM 1800 CA SER A 118 -20.380 10.388 0.616 1.00 0.00 C ATOM 1801 C SER A 118 -20.621 9.869 2.031 1.00 0.00 C ATOM 1802 O SER A 118 -20.800 8.669 2.241 1.00 0.00 O ATOM 1803 CB SER A 118 -21.707 10.471 -0.141 1.00 0.00 C ATOM 1804 OG SER A 118 -22.367 11.698 0.118 1.00 0.00 O ATOM 0 H SER A 118 -19.788 8.591 -0.285 1.00 0.00 H new ATOM 0 HA SER A 118 -19.944 11.385 0.683 1.00 0.00 H new ATOM 0 HB2 SER A 118 -21.525 10.371 -1.211 1.00 0.00 H new ATOM 0 HB3 SER A 118 -22.349 9.640 0.152 1.00 0.00 H new ATOM 0 HG SER A 118 -23.211 11.727 -0.379 1.00 0.00 H new ATOM 1810 N SER A 119 -20.622 10.781 2.997 1.00 0.00 N ATOM 1811 CA SER A 119 -20.836 10.416 4.393 1.00 0.00 C ATOM 1812 C SER A 119 -22.311 10.129 4.659 1.00 0.00 C ATOM 1813 O SER A 119 -23.192 10.726 4.042 1.00 0.00 O ATOM 1814 CB SER A 119 -20.348 11.534 5.315 1.00 0.00 C ATOM 1815 OG SER A 119 -21.010 12.755 5.032 1.00 0.00 O ATOM 0 H SER A 119 -20.477 11.778 2.839 1.00 0.00 H new ATOM 0 HA SER A 119 -20.265 9.511 4.598 1.00 0.00 H new ATOM 0 HB2 SER A 119 -20.522 11.255 6.354 1.00 0.00 H new ATOM 0 HB3 SER A 119 -19.272 11.664 5.196 1.00 0.00 H new ATOM 0 HG SER A 119 -20.681 13.453 5.636 1.00 0.00 H new ATOM 1821 N GLY A 120 -22.571 9.210 5.584 1.00 0.00 N ATOM 1822 CA GLY A 120 -23.939 8.859 5.917 1.00 0.00 C ATOM 1823 C GLY A 120 -24.289 7.441 5.510 1.00 0.00 C ATOM 1824 O GLY A 120 -25.145 6.805 6.125 1.00 0.00 O ATOM 0 H GLY A 120 -21.859 8.702 6.109 1.00 0.00 H new ATOM 0 HA2 GLY A 120 -24.089 8.973 6.991 1.00 0.00 H new ATOM 0 HA3 GLY A 120 -24.619 9.554 5.424 1.00 0.00 H new TER 1828 GLY A 120