USER MOD reduce.3.24.130724 H: found=0, std=0, add=693, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 692 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 66 THR OG1 : rot 180:sc= -1.7 USER MOD Set 1.2: A 69 GLN : amide:sc= -0.149 K(o=-1.8,f=-11!) 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 4 ASN : amide:sc= -1.28 K(o=-1.3,f=-1.9!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot -29:sc= 0.567 USER MOD Single : A 31 LYS NZ :NH3+ -165:sc= -0.256 (180deg=-0.939) USER MOD Single : A 34 GLN : amide:sc= -0.146 X(o=-0.15,f=-0.15) USER MOD Single : A 37 LYS NZ :NH3+ -157:sc= -0.102 (180deg=-0.595) USER MOD Single : A 38 GLN : amide:sc= -0.156 K(o=-0.16,f=-0.71) USER MOD Single : A 41 HIS : no HD1:sc= -1.32! C(o=-1.3!,f=-4.3!) USER MOD Single : A 43 SER OG : rot -81:sc= 1.48 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 43:sc= 0.205 USER MOD Single : A 62 THR OG1 : rot 180:sc=-0.00296 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 GLN :FLIP amide:sc= -2.6! C(o=-5.5!,f=-2.6!) USER MOD Single : A 71 GLN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 72 ASN : amide:sc= -0.423 K(o=-0.42,f=-4.1!) USER MOD Single : A 74 GLN : amide:sc= -0.47 K(o=-0.47,f=-2!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc=-0.00312 X(o=-0.0031,f=0) USER MOD Single : A 79 ASN :FLIP amide:sc= -0.987 F(o=-1.9!,f=-0.99) USER MOD Single : A 80 SER OG : rot -42:sc= 0.619 USER MOD Single : A 82 LYS NZ :NH3+ -159:sc= -0.0269 (180deg=-0.578) USER MOD Single : A 83 GLN : amide:sc= -3! C(o=-3!,f=-12!) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 53:sc= -0.661! USER MOD Single : A 87 LYS NZ :NH3+ -153:sc= -1.17 (180deg=-1.83) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 34.826 8.700 0.804 1.00 0.00 N ATOM 2 CA GLY A 1 34.741 7.260 0.427 1.00 0.00 C ATOM 3 C GLY A 1 34.107 7.132 -0.959 1.00 0.00 C ATOM 4 O GLY A 1 32.987 6.682 -1.101 1.00 0.00 O ATOM 0 H1 GLY A 1 35.257 8.787 1.746 1.00 0.00 H new ATOM 0 H2 GLY A 1 35.409 9.207 0.108 1.00 0.00 H new ATOM 0 H3 GLY A 1 33.871 9.111 0.821 1.00 0.00 H new ATOM 0 HA2 GLY A 1 35.736 6.814 0.426 1.00 0.00 H new ATOM 0 HA3 GLY A 1 34.148 6.715 1.162 1.00 0.00 H new ATOM 10 N SER A 2 34.814 7.521 -1.984 1.00 0.00 N ATOM 11 CA SER A 2 34.252 7.421 -3.360 1.00 0.00 C ATOM 12 C SER A 2 32.880 8.104 -3.405 1.00 0.00 C ATOM 13 O SER A 2 31.862 7.447 -3.502 1.00 0.00 O ATOM 14 CB SER A 2 34.100 5.949 -3.740 1.00 0.00 C ATOM 15 OG SER A 2 35.318 5.267 -3.475 1.00 0.00 O ATOM 0 H SER A 2 35.758 7.904 -1.928 1.00 0.00 H new ATOM 0 HA SER A 2 34.924 7.912 -4.063 1.00 0.00 H new ATOM 0 HB2 SER A 2 33.286 5.497 -3.173 1.00 0.00 H new ATOM 0 HB3 SER A 2 33.842 5.859 -4.795 1.00 0.00 H new ATOM 0 HG SER A 2 35.223 4.322 -3.716 1.00 0.00 H new ATOM 21 N PRO A 3 32.845 9.415 -3.333 1.00 0.00 N ATOM 22 CA PRO A 3 31.553 10.155 -3.369 1.00 0.00 C ATOM 23 C PRO A 3 30.842 10.006 -4.725 1.00 0.00 C ATOM 24 O PRO A 3 31.208 10.634 -5.699 1.00 0.00 O ATOM 25 CB PRO A 3 31.990 11.615 -3.112 1.00 0.00 C ATOM 26 CG PRO A 3 33.525 11.647 -2.932 1.00 0.00 C ATOM 27 CD PRO A 3 34.080 10.240 -3.212 1.00 0.00 C ATOM 0 HA PRO A 3 30.829 9.786 -2.642 1.00 0.00 H new ATOM 0 HB2 PRO A 3 31.694 12.251 -3.946 1.00 0.00 H new ATOM 0 HB3 PRO A 3 31.497 12.006 -2.222 1.00 0.00 H new ATOM 0 HG2 PRO A 3 33.971 12.372 -3.613 1.00 0.00 H new ATOM 0 HG3 PRO A 3 33.781 11.960 -1.920 1.00 0.00 H new ATOM 0 HD2 PRO A 3 34.675 10.214 -4.125 1.00 0.00 H new ATOM 0 HD3 PRO A 3 34.722 9.890 -2.404 1.00 0.00 H new ATOM 35 N ASN A 4 29.833 9.180 -4.792 1.00 0.00 N ATOM 36 CA ASN A 4 29.108 8.996 -6.081 1.00 0.00 C ATOM 37 C ASN A 4 27.782 8.278 -5.822 1.00 0.00 C ATOM 38 O ASN A 4 27.660 7.087 -6.024 1.00 0.00 O ATOM 39 CB ASN A 4 29.962 8.158 -7.034 1.00 0.00 C ATOM 40 CG ASN A 4 29.266 8.058 -8.393 1.00 0.00 C ATOM 41 OD1 ASN A 4 28.126 7.645 -8.474 1.00 0.00 O ATOM 42 ND2 ASN A 4 29.907 8.423 -9.469 1.00 0.00 N ATOM 0 H ASN A 4 29.480 8.626 -4.012 1.00 0.00 H new ATOM 0 HA ASN A 4 28.914 9.970 -6.529 1.00 0.00 H new ATOM 0 HB2 ASN A 4 30.946 8.611 -7.151 1.00 0.00 H new ATOM 0 HB3 ASN A 4 30.117 7.162 -6.619 1.00 0.00 H new ATOM 0 HD21 ASN A 4 29.451 8.362 -10.380 1.00 0.00 H new ATOM 0 HD22 ASN A 4 30.864 8.770 -9.400 1.00 0.00 H new ATOM 49 N SER A 5 26.786 8.996 -5.376 1.00 0.00 N ATOM 50 CA SER A 5 25.469 8.354 -5.105 1.00 0.00 C ATOM 51 C SER A 5 25.674 7.129 -4.212 1.00 0.00 C ATOM 52 O SER A 5 25.486 6.005 -4.632 1.00 0.00 O ATOM 53 CB SER A 5 24.833 7.921 -6.426 1.00 0.00 C ATOM 54 OG SER A 5 24.859 9.011 -7.338 1.00 0.00 O ATOM 0 H SER A 5 26.828 9.998 -5.188 1.00 0.00 H new ATOM 0 HA SER A 5 24.814 9.065 -4.602 1.00 0.00 H new ATOM 0 HB2 SER A 5 25.373 7.071 -6.842 1.00 0.00 H new ATOM 0 HB3 SER A 5 23.806 7.595 -6.259 1.00 0.00 H new ATOM 0 HG SER A 5 24.454 8.737 -8.187 1.00 0.00 H new ATOM 60 N TYR A 6 26.060 7.337 -2.983 1.00 0.00 N ATOM 61 CA TYR A 6 26.277 6.184 -2.065 1.00 0.00 C ATOM 62 C TYR A 6 24.948 5.465 -1.828 1.00 0.00 C ATOM 63 O TYR A 6 23.934 5.810 -2.401 1.00 0.00 O ATOM 64 CB TYR A 6 26.835 6.691 -0.733 1.00 0.00 C ATOM 65 CG TYR A 6 27.219 5.516 0.134 1.00 0.00 C ATOM 66 CD1 TYR A 6 28.401 4.811 -0.127 1.00 0.00 C ATOM 67 CD2 TYR A 6 26.394 5.127 1.198 1.00 0.00 C ATOM 68 CE1 TYR A 6 28.758 3.720 0.674 1.00 0.00 C ATOM 69 CE2 TYR A 6 26.752 4.037 2.000 1.00 0.00 C ATOM 70 CZ TYR A 6 27.933 3.333 1.738 1.00 0.00 C ATOM 71 OH TYR A 6 28.286 2.259 2.529 1.00 0.00 O ATOM 0 H TYR A 6 26.234 8.256 -2.575 1.00 0.00 H new ATOM 0 HA TYR A 6 26.988 5.489 -2.512 1.00 0.00 H new ATOM 0 HB2 TYR A 6 27.704 7.326 -0.909 1.00 0.00 H new ATOM 0 HB3 TYR A 6 26.090 7.303 -0.224 1.00 0.00 H new ATOM 0 HD1 TYR A 6 29.037 5.109 -0.947 1.00 0.00 H new ATOM 0 HD2 TYR A 6 25.482 5.669 1.399 1.00 0.00 H new ATOM 0 HE1 TYR A 6 29.669 3.177 0.472 1.00 0.00 H new ATOM 0 HE2 TYR A 6 26.117 3.739 2.821 1.00 0.00 H new ATOM 0 HH TYR A 6 27.606 2.125 3.222 1.00 0.00 H new ATOM 81 N GLY A 7 24.944 4.461 -0.993 1.00 0.00 N ATOM 82 CA GLY A 7 23.679 3.719 -0.734 1.00 0.00 C ATOM 83 C GLY A 7 23.308 2.924 -1.984 1.00 0.00 C ATOM 84 O GLY A 7 22.303 2.240 -2.026 1.00 0.00 O ATOM 0 H GLY A 7 25.759 4.124 -0.481 1.00 0.00 H new ATOM 0 HA2 GLY A 7 23.802 3.049 0.116 1.00 0.00 H new ATOM 0 HA3 GLY A 7 22.880 4.414 -0.478 1.00 0.00 H new ATOM 88 N ASP A 8 24.116 3.011 -3.005 1.00 0.00 N ATOM 89 CA ASP A 8 23.823 2.267 -4.261 1.00 0.00 C ATOM 90 C ASP A 8 22.403 2.592 -4.727 1.00 0.00 C ATOM 91 O ASP A 8 21.474 1.851 -4.480 1.00 0.00 O ATOM 92 CB ASP A 8 23.946 0.764 -4.005 1.00 0.00 C ATOM 93 CG ASP A 8 25.283 0.470 -3.323 1.00 0.00 C ATOM 94 OD1 ASP A 8 25.340 0.566 -2.109 1.00 0.00 O ATOM 95 OD2 ASP A 8 26.228 0.155 -4.028 1.00 0.00 O ATOM 0 H ASP A 8 24.970 3.568 -3.022 1.00 0.00 H new ATOM 0 HA ASP A 8 24.534 2.562 -5.032 1.00 0.00 H new ATOM 0 HB2 ASP A 8 23.123 0.423 -3.377 1.00 0.00 H new ATOM 0 HB3 ASP A 8 23.878 0.217 -4.946 1.00 0.00 H new ATOM 100 N LEU A 9 22.232 3.696 -5.407 1.00 0.00 N ATOM 101 CA LEU A 9 20.877 4.074 -5.898 1.00 0.00 C ATOM 102 C LEU A 9 19.850 3.880 -4.777 1.00 0.00 C ATOM 103 O LEU A 9 18.897 3.141 -4.919 1.00 0.00 O ATOM 104 CB LEU A 9 20.513 3.182 -7.088 1.00 0.00 C ATOM 105 CG LEU A 9 21.286 3.630 -8.346 1.00 0.00 C ATOM 106 CD1 LEU A 9 21.404 2.455 -9.322 1.00 0.00 C ATOM 107 CD2 LEU A 9 20.549 4.783 -9.045 1.00 0.00 C ATOM 0 H LEU A 9 22.976 4.353 -5.643 1.00 0.00 H new ATOM 0 HA LEU A 9 20.875 5.120 -6.206 1.00 0.00 H new ATOM 0 HB2 LEU A 9 20.749 2.143 -6.858 1.00 0.00 H new ATOM 0 HB3 LEU A 9 19.440 3.232 -7.274 1.00 0.00 H new ATOM 0 HG LEU A 9 22.277 3.967 -8.043 1.00 0.00 H new ATOM 0 HD11 LEU A 9 21.950 2.773 -10.210 1.00 0.00 H new ATOM 0 HD12 LEU A 9 21.938 1.635 -8.842 1.00 0.00 H new ATOM 0 HD13 LEU A 9 20.408 2.120 -9.610 1.00 0.00 H new ATOM 0 HD21 LEU A 9 21.107 5.088 -9.930 1.00 0.00 H new ATOM 0 HD22 LEU A 9 19.553 4.453 -9.340 1.00 0.00 H new ATOM 0 HD23 LEU A 9 20.464 5.628 -8.361 1.00 0.00 H new ATOM 119 N GLY A 10 20.040 4.535 -3.666 1.00 0.00 N ATOM 120 CA GLY A 10 19.076 4.382 -2.540 1.00 0.00 C ATOM 121 C GLY A 10 18.877 2.895 -2.249 1.00 0.00 C ATOM 122 O GLY A 10 17.844 2.480 -1.761 1.00 0.00 O ATOM 0 H GLY A 10 20.819 5.169 -3.489 1.00 0.00 H new ATOM 0 HA2 GLY A 10 19.451 4.892 -1.652 1.00 0.00 H new ATOM 0 HA3 GLY A 10 18.123 4.846 -2.795 1.00 0.00 H new ATOM 126 N GLY A 11 19.858 2.089 -2.547 1.00 0.00 N ATOM 127 CA GLY A 11 19.727 0.628 -2.290 1.00 0.00 C ATOM 128 C GLY A 11 18.905 -0.013 -3.417 1.00 0.00 C ATOM 129 O GLY A 11 18.229 0.676 -4.155 1.00 0.00 O ATOM 0 H GLY A 11 20.745 2.379 -2.958 1.00 0.00 H new ATOM 0 HA2 GLY A 11 20.713 0.167 -2.236 1.00 0.00 H new ATOM 0 HA3 GLY A 11 19.242 0.458 -1.329 1.00 0.00 H new ATOM 133 N PRO A 12 18.956 -1.320 -3.560 1.00 0.00 N ATOM 134 CA PRO A 12 18.184 -2.005 -4.638 1.00 0.00 C ATOM 135 C PRO A 12 16.667 -1.860 -4.448 1.00 0.00 C ATOM 136 O PRO A 12 16.195 -1.469 -3.398 1.00 0.00 O ATOM 137 CB PRO A 12 18.636 -3.472 -4.482 1.00 0.00 C ATOM 138 CG PRO A 12 19.347 -3.607 -3.126 1.00 0.00 C ATOM 139 CD PRO A 12 19.772 -2.202 -2.674 1.00 0.00 C ATOM 0 HA PRO A 12 18.370 -1.589 -5.628 1.00 0.00 H new ATOM 0 HB2 PRO A 12 17.778 -4.143 -4.531 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.307 -3.753 -5.294 1.00 0.00 H new ATOM 0 HG2 PRO A 12 18.682 -4.060 -2.390 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.216 -4.259 -3.214 1.00 0.00 H new ATOM 0 HD2 PRO A 12 19.555 -2.031 -1.620 1.00 0.00 H new ATOM 0 HD3 PRO A 12 20.841 -2.037 -2.810 1.00 0.00 H new ATOM 147 N ILE A 13 15.906 -2.178 -5.458 1.00 0.00 N ATOM 148 CA ILE A 13 14.423 -2.067 -5.348 1.00 0.00 C ATOM 149 C ILE A 13 13.878 -3.314 -4.646 1.00 0.00 C ATOM 150 O ILE A 13 14.376 -4.407 -4.840 1.00 0.00 O ATOM 151 CB ILE A 13 13.822 -1.962 -6.757 1.00 0.00 C ATOM 152 CG1 ILE A 13 14.568 -0.886 -7.559 1.00 0.00 C ATOM 153 CG2 ILE A 13 12.337 -1.597 -6.674 1.00 0.00 C ATOM 154 CD1 ILE A 13 14.618 0.427 -6.766 1.00 0.00 C ATOM 0 H ILE A 13 16.248 -2.512 -6.359 1.00 0.00 H new ATOM 0 HA ILE A 13 14.156 -1.181 -4.772 1.00 0.00 H new ATOM 0 HB ILE A 13 13.924 -2.926 -7.255 1.00 0.00 H new ATOM 0 HG12 ILE A 13 15.580 -1.224 -7.781 1.00 0.00 H new ATOM 0 HG13 ILE A 13 14.070 -0.723 -8.515 1.00 0.00 H new ATOM 0 HG21 ILE A 13 11.923 -1.526 -7.680 1.00 0.00 H new ATOM 0 HG22 ILE A 13 11.804 -2.367 -6.116 1.00 0.00 H new ATOM 0 HG23 ILE A 13 12.226 -0.638 -6.167 1.00 0.00 H new ATOM 0 HD11 ILE A 13 15.150 1.182 -7.345 1.00 0.00 H new ATOM 0 HD12 ILE A 13 13.603 0.771 -6.567 1.00 0.00 H new ATOM 0 HD13 ILE A 13 15.137 0.262 -5.822 1.00 0.00 H new ATOM 166 N ILE A 14 12.884 -3.158 -3.806 1.00 0.00 N ATOM 167 CA ILE A 14 12.317 -4.322 -3.051 1.00 0.00 C ATOM 168 C ILE A 14 10.808 -4.415 -3.294 1.00 0.00 C ATOM 169 O ILE A 14 10.144 -3.416 -3.489 1.00 0.00 O ATOM 170 CB ILE A 14 12.572 -4.085 -1.560 1.00 0.00 C ATOM 171 CG1 ILE A 14 14.081 -3.968 -1.323 1.00 0.00 C ATOM 172 CG2 ILE A 14 12.021 -5.252 -0.737 1.00 0.00 C ATOM 173 CD1 ILE A 14 14.340 -3.519 0.115 1.00 0.00 C ATOM 0 H ILE A 14 12.435 -2.264 -3.608 1.00 0.00 H new ATOM 0 HA ILE A 14 12.786 -5.249 -3.382 1.00 0.00 H new ATOM 0 HB ILE A 14 12.071 -3.167 -1.253 1.00 0.00 H new ATOM 0 HG12 ILE A 14 14.564 -4.928 -1.508 1.00 0.00 H new ATOM 0 HG13 ILE A 14 14.515 -3.253 -2.022 1.00 0.00 H new ATOM 0 HG21 ILE A 14 12.209 -5.071 0.321 1.00 0.00 H new ATOM 0 HG22 ILE A 14 10.948 -5.341 -0.905 1.00 0.00 H new ATOM 0 HG23 ILE A 14 12.514 -6.176 -1.040 1.00 0.00 H new ATOM 0 HD11 ILE A 14 15.414 -3.436 0.282 1.00 0.00 H new ATOM 0 HD12 ILE A 14 13.871 -2.550 0.284 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.920 -4.250 0.806 1.00 0.00 H new ATOM 185 N THR A 15 10.256 -5.603 -3.256 1.00 0.00 N ATOM 186 CA THR A 15 8.783 -5.779 -3.452 1.00 0.00 C ATOM 187 C THR A 15 8.233 -6.623 -2.315 1.00 0.00 C ATOM 188 O THR A 15 8.853 -7.559 -1.849 1.00 0.00 O ATOM 189 CB THR A 15 8.488 -6.476 -4.778 1.00 0.00 C ATOM 190 OG1 THR A 15 7.082 -6.536 -4.969 1.00 0.00 O ATOM 191 CG2 THR A 15 9.057 -7.892 -4.772 1.00 0.00 C ATOM 0 H THR A 15 10.770 -6.469 -3.095 1.00 0.00 H new ATOM 0 HA THR A 15 8.312 -4.796 -3.464 1.00 0.00 H new ATOM 0 HB THR A 15 8.953 -5.913 -5.587 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.886 -6.981 -5.820 1.00 0.00 H new ATOM 0 HG21 THR A 15 8.839 -8.376 -5.724 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.136 -7.850 -4.626 1.00 0.00 H new ATOM 0 HG23 THR A 15 8.603 -8.463 -3.962 1.00 0.00 H new ATOM 199 N THR A 16 7.066 -6.288 -1.870 1.00 0.00 N ATOM 200 CA THR A 16 6.423 -7.043 -0.751 1.00 0.00 C ATOM 201 C THR A 16 4.917 -7.128 -1.011 1.00 0.00 C ATOM 202 O THR A 16 4.333 -6.204 -1.541 1.00 0.00 O ATOM 203 CB THR A 16 6.678 -6.304 0.567 1.00 0.00 C ATOM 204 OG1 THR A 16 5.980 -6.959 1.618 1.00 0.00 O ATOM 205 CG2 THR A 16 6.191 -4.859 0.450 1.00 0.00 C ATOM 0 H THR A 16 6.513 -5.512 -2.234 1.00 0.00 H new ATOM 0 HA THR A 16 6.841 -8.048 -0.688 1.00 0.00 H new ATOM 0 HB THR A 16 7.746 -6.306 0.783 1.00 0.00 H new ATOM 0 HG1 THR A 16 6.143 -6.489 2.462 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.374 -4.336 1.389 1.00 0.00 H new ATOM 0 HG22 THR A 16 6.729 -4.358 -0.355 1.00 0.00 H new ATOM 0 HG23 THR A 16 5.123 -4.851 0.233 1.00 0.00 H new ATOM 213 N GLN A 17 4.278 -8.224 -0.651 1.00 0.00 N ATOM 214 CA GLN A 17 2.797 -8.345 -0.899 1.00 0.00 C ATOM 215 C GLN A 17 2.036 -8.305 0.427 1.00 0.00 C ATOM 216 O GLN A 17 2.507 -8.779 1.442 1.00 0.00 O ATOM 217 CB GLN A 17 2.492 -9.658 -1.625 1.00 0.00 C ATOM 218 CG GLN A 17 3.060 -9.606 -3.044 1.00 0.00 C ATOM 219 CD GLN A 17 3.012 -11.002 -3.665 1.00 0.00 C ATOM 220 OE1 GLN A 17 3.712 -11.896 -3.232 1.00 0.00 O ATOM 221 NE2 GLN A 17 2.209 -11.231 -4.668 1.00 0.00 N ATOM 0 H GLN A 17 4.711 -9.031 -0.202 1.00 0.00 H new ATOM 0 HA GLN A 17 2.478 -7.508 -1.520 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.926 -10.496 -1.080 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.415 -9.824 -1.660 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.486 -8.906 -3.651 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.087 -9.241 -3.023 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.621 -10.481 -5.032 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.169 -12.160 -5.088 1.00 0.00 H new ATOM 230 N VAL A 18 0.856 -7.730 0.416 1.00 0.00 N ATOM 231 CA VAL A 18 0.026 -7.626 1.657 1.00 0.00 C ATOM 232 C VAL A 18 -1.350 -8.240 1.384 1.00 0.00 C ATOM 233 O VAL A 18 -1.857 -8.183 0.282 1.00 0.00 O ATOM 234 CB VAL A 18 -0.156 -6.139 2.004 1.00 0.00 C ATOM 235 CG1 VAL A 18 -0.573 -5.984 3.469 1.00 0.00 C ATOM 236 CG2 VAL A 18 1.163 -5.401 1.772 1.00 0.00 C ATOM 0 H VAL A 18 0.427 -7.322 -0.415 1.00 0.00 H new ATOM 0 HA VAL A 18 0.513 -8.149 2.480 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.934 -5.718 1.367 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.698 -4.927 3.702 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.515 -6.507 3.636 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.197 -6.408 4.113 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.038 -4.346 2.017 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.937 -5.832 2.407 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.455 -5.498 0.726 1.00 0.00 H new ATOM 246 N THR A 19 -1.958 -8.811 2.391 1.00 0.00 N ATOM 247 CA THR A 19 -3.315 -9.424 2.231 1.00 0.00 C ATOM 248 C THR A 19 -4.260 -8.735 3.219 1.00 0.00 C ATOM 249 O THR A 19 -3.954 -8.602 4.389 1.00 0.00 O ATOM 250 CB THR A 19 -3.237 -10.927 2.532 1.00 0.00 C ATOM 251 OG1 THR A 19 -2.059 -11.464 1.945 1.00 0.00 O ATOM 252 CG2 THR A 19 -4.463 -11.634 1.953 1.00 0.00 C ATOM 0 H THR A 19 -1.568 -8.881 3.331 1.00 0.00 H new ATOM 0 HA THR A 19 -3.680 -9.295 1.212 1.00 0.00 H new ATOM 0 HB THR A 19 -3.211 -11.079 3.611 1.00 0.00 H new ATOM 0 HG1 THR A 19 -2.006 -12.423 2.137 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.404 -12.701 2.169 1.00 0.00 H new ATOM 0 HG22 THR A 19 -5.367 -11.222 2.403 1.00 0.00 H new ATOM 0 HG23 THR A 19 -4.494 -11.483 0.874 1.00 0.00 H new ATOM 260 N ILE A 20 -5.396 -8.277 2.751 1.00 0.00 N ATOM 261 CA ILE A 20 -6.373 -7.565 3.642 1.00 0.00 C ATOM 262 C ILE A 20 -7.763 -8.233 3.505 1.00 0.00 C ATOM 263 O ILE A 20 -8.197 -8.489 2.399 1.00 0.00 O ATOM 264 CB ILE A 20 -6.478 -6.079 3.181 1.00 0.00 C ATOM 265 CG1 ILE A 20 -5.999 -5.937 1.725 1.00 0.00 C ATOM 266 CG2 ILE A 20 -5.609 -5.181 4.078 1.00 0.00 C ATOM 267 CD1 ILE A 20 -6.139 -4.484 1.253 1.00 0.00 C ATOM 0 H ILE A 20 -5.693 -8.366 1.779 1.00 0.00 H new ATOM 0 HA ILE A 20 -6.039 -7.615 4.678 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.521 -5.773 3.255 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.959 -6.253 1.646 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.582 -6.593 1.079 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.691 -4.146 3.746 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.950 -5.259 5.110 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -4.569 -5.501 4.015 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.796 -4.402 0.222 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -7.184 -4.181 1.313 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -5.536 -3.835 1.889 1.00 0.00 H new ATOM 279 N PRO A 21 -8.484 -8.495 4.579 1.00 0.00 N ATOM 280 CA PRO A 21 -9.835 -9.106 4.433 1.00 0.00 C ATOM 281 C PRO A 21 -10.747 -8.243 3.540 1.00 0.00 C ATOM 282 O PRO A 21 -10.760 -7.032 3.640 1.00 0.00 O ATOM 283 CB PRO A 21 -10.347 -9.171 5.887 1.00 0.00 C ATOM 284 CG PRO A 21 -9.241 -8.643 6.823 1.00 0.00 C ATOM 285 CD PRO A 21 -8.027 -8.222 5.970 1.00 0.00 C ATOM 0 HA PRO A 21 -9.817 -10.082 3.948 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -11.252 -8.573 5.996 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -10.608 -10.196 6.151 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.609 -7.795 7.401 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.951 -9.414 7.537 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -7.778 -7.171 6.114 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -7.137 -8.798 6.223 1.00 0.00 H new ATOM 293 N LYS A 22 -11.480 -8.856 2.652 1.00 0.00 N ATOM 294 CA LYS A 22 -12.359 -8.087 1.733 1.00 0.00 C ATOM 295 C LYS A 22 -13.109 -6.967 2.473 1.00 0.00 C ATOM 296 O LYS A 22 -13.265 -5.878 1.957 1.00 0.00 O ATOM 297 CB LYS A 22 -13.366 -9.048 1.098 1.00 0.00 C ATOM 298 CG LYS A 22 -14.271 -8.276 0.144 1.00 0.00 C ATOM 299 CD LYS A 22 -15.109 -9.260 -0.680 1.00 0.00 C ATOM 300 CE LYS A 22 -16.154 -9.938 0.214 1.00 0.00 C ATOM 301 NZ LYS A 22 -17.202 -10.565 -0.640 1.00 0.00 N ATOM 0 H LYS A 22 -11.506 -9.868 2.524 1.00 0.00 H new ATOM 0 HA LYS A 22 -11.739 -7.620 0.967 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -12.842 -9.838 0.560 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -13.963 -9.531 1.872 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -14.924 -7.609 0.706 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -13.671 -7.651 -0.517 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -15.604 -8.734 -1.496 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -14.462 -10.012 -1.131 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -15.679 -10.694 0.840 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -16.605 -9.207 0.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -17.912 -11.026 -0.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -17.662 -9.833 -1.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -16.764 -11.274 -1.262 1.00 0.00 H new ATOM 315 N ASP A 23 -13.601 -7.222 3.656 1.00 0.00 N ATOM 316 CA ASP A 23 -14.364 -6.160 4.381 1.00 0.00 C ATOM 317 C ASP A 23 -13.475 -4.944 4.672 1.00 0.00 C ATOM 318 O ASP A 23 -13.851 -3.809 4.423 1.00 0.00 O ATOM 319 CB ASP A 23 -14.925 -6.722 5.688 1.00 0.00 C ATOM 320 CG ASP A 23 -15.743 -5.643 6.399 1.00 0.00 C ATOM 321 OD1 ASP A 23 -15.212 -4.564 6.605 1.00 0.00 O ATOM 322 OD2 ASP A 23 -16.886 -5.913 6.725 1.00 0.00 O ATOM 0 H ASP A 23 -13.510 -8.110 4.149 1.00 0.00 H new ATOM 0 HA ASP A 23 -15.187 -5.835 3.744 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -15.550 -7.591 5.484 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -14.111 -7.058 6.330 1.00 0.00 H new ATOM 327 N LEU A 24 -12.286 -5.158 5.158 1.00 0.00 N ATOM 328 CA LEU A 24 -11.369 -4.025 5.431 1.00 0.00 C ATOM 329 C LEU A 24 -10.800 -3.547 4.099 1.00 0.00 C ATOM 330 O LEU A 24 -10.399 -2.411 3.948 1.00 0.00 O ATOM 331 CB LEU A 24 -10.219 -4.508 6.337 1.00 0.00 C ATOM 332 CG LEU A 24 -10.613 -4.390 7.817 1.00 0.00 C ATOM 333 CD1 LEU A 24 -11.838 -5.264 8.101 1.00 0.00 C ATOM 334 CD2 LEU A 24 -9.442 -4.843 8.700 1.00 0.00 C ATOM 0 H LEU A 24 -11.909 -6.080 5.379 1.00 0.00 H new ATOM 0 HA LEU A 24 -11.900 -3.214 5.929 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.973 -5.544 6.102 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -9.324 -3.916 6.145 1.00 0.00 H new ATOM 0 HG LEU A 24 -10.855 -3.351 8.041 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -12.112 -5.176 9.152 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -12.671 -4.935 7.480 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.604 -6.304 7.873 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.724 -4.758 9.750 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -9.195 -5.880 8.473 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.574 -4.213 8.505 1.00 0.00 H new ATOM 346 N ALA A 25 -10.755 -4.421 3.131 1.00 0.00 N ATOM 347 CA ALA A 25 -10.204 -4.039 1.811 1.00 0.00 C ATOM 348 C ALA A 25 -11.022 -2.888 1.237 1.00 0.00 C ATOM 349 O ALA A 25 -10.504 -1.982 0.619 1.00 0.00 O ATOM 350 CB ALA A 25 -10.291 -5.231 0.860 1.00 0.00 C ATOM 0 H ALA A 25 -11.079 -5.386 3.203 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.164 -3.734 1.927 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.886 -4.951 -0.112 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.717 -6.063 1.267 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -11.333 -5.530 0.746 1.00 0.00 H new ATOM 356 N ARG A 26 -12.315 -2.933 1.436 1.00 0.00 N ATOM 357 CA ARG A 26 -13.183 -1.854 0.899 1.00 0.00 C ATOM 358 C ARG A 26 -13.006 -0.614 1.763 1.00 0.00 C ATOM 359 O ARG A 26 -13.133 0.499 1.296 1.00 0.00 O ATOM 360 CB ARG A 26 -14.646 -2.302 0.896 1.00 0.00 C ATOM 361 CG ARG A 26 -14.820 -3.463 -0.085 1.00 0.00 C ATOM 362 CD ARG A 26 -16.270 -3.949 -0.054 1.00 0.00 C ATOM 363 NE ARG A 26 -16.458 -5.010 -1.084 1.00 0.00 N ATOM 364 CZ ARG A 26 -17.514 -5.776 -1.046 1.00 0.00 C ATOM 365 NH1 ARG A 26 -18.405 -5.613 -0.106 1.00 0.00 N ATOM 366 NH2 ARG A 26 -17.678 -6.706 -1.946 1.00 0.00 N ATOM 0 H ARG A 26 -12.802 -3.670 1.946 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.900 -1.627 -0.129 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -14.946 -2.610 1.898 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -15.292 -1.471 0.611 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -14.555 -3.144 -1.093 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -14.147 -4.279 0.178 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -16.514 -4.339 0.934 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -16.948 -3.117 -0.245 1.00 0.00 H new ATOM 0 HE ARG A 26 -15.762 -5.137 -1.818 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -18.276 -4.887 0.599 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -19.230 -6.212 -0.076 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -16.981 -6.835 -2.679 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -18.503 -7.305 -1.916 1.00 0.00 H new ATOM 380 N SER A 27 -12.697 -0.786 3.020 1.00 0.00 N ATOM 381 CA SER A 27 -12.497 0.395 3.899 1.00 0.00 C ATOM 382 C SER A 27 -11.179 1.079 3.525 1.00 0.00 C ATOM 383 O SER A 27 -11.019 2.270 3.705 1.00 0.00 O ATOM 384 CB SER A 27 -12.430 -0.065 5.355 1.00 0.00 C ATOM 385 OG SER A 27 -11.278 -0.878 5.538 1.00 0.00 O ATOM 0 H SER A 27 -12.575 -1.692 3.473 1.00 0.00 H new ATOM 0 HA SER A 27 -13.325 1.093 3.773 1.00 0.00 H new ATOM 0 HB2 SER A 27 -12.390 0.798 6.020 1.00 0.00 H new ATOM 0 HB3 SER A 27 -13.329 -0.625 5.613 1.00 0.00 H new ATOM 0 HG SER A 27 -11.064 -1.336 4.698 1.00 0.00 H new ATOM 391 N ILE A 28 -10.211 0.331 3.049 1.00 0.00 N ATOM 392 CA ILE A 28 -8.889 0.940 2.719 1.00 0.00 C ATOM 393 C ILE A 28 -8.882 1.492 1.290 1.00 0.00 C ATOM 394 O ILE A 28 -8.381 2.565 1.032 1.00 0.00 O ATOM 395 CB ILE A 28 -7.814 -0.138 2.847 1.00 0.00 C ATOM 396 CG1 ILE A 28 -7.721 -0.602 4.307 1.00 0.00 C ATOM 397 CG2 ILE A 28 -6.468 0.426 2.397 1.00 0.00 C ATOM 398 CD1 ILE A 28 -7.006 -1.952 4.370 1.00 0.00 C ATOM 0 H ILE A 28 -10.282 -0.672 2.876 1.00 0.00 H new ATOM 0 HA ILE A 28 -8.695 1.764 3.406 1.00 0.00 H new ATOM 0 HB ILE A 28 -8.076 -0.988 2.217 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -7.180 0.136 4.900 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.719 -0.687 4.737 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.702 -0.344 2.489 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -6.537 0.747 1.358 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -6.203 1.278 3.023 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.940 -2.281 5.407 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.565 -2.687 3.791 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.002 -1.852 3.957 1.00 0.00 H new ATOM 410 N ILE A 29 -9.413 0.752 0.358 1.00 0.00 N ATOM 411 CA ILE A 29 -9.405 1.235 -1.052 1.00 0.00 C ATOM 412 C ILE A 29 -10.299 2.469 -1.180 1.00 0.00 C ATOM 413 O ILE A 29 -10.012 3.369 -1.938 1.00 0.00 O ATOM 414 CB ILE A 29 -9.903 0.122 -1.987 1.00 0.00 C ATOM 415 CG1 ILE A 29 -9.015 -1.127 -1.831 1.00 0.00 C ATOM 416 CG2 ILE A 29 -9.843 0.606 -3.441 1.00 0.00 C ATOM 417 CD1 ILE A 29 -9.755 -2.350 -2.377 1.00 0.00 C ATOM 0 H ILE A 29 -9.849 -0.158 0.508 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.387 1.504 -1.335 1.00 0.00 H new ATOM 0 HB ILE A 29 -10.931 -0.129 -1.726 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -8.076 -0.988 -2.366 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.764 -1.279 -0.781 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.197 -0.185 -4.103 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.475 1.486 -3.558 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.815 0.861 -3.697 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -9.127 -3.234 -2.267 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.682 -2.492 -1.822 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -9.983 -2.196 -3.432 1.00 0.00 H new ATOM 429 N GLY A 30 -11.386 2.531 -0.462 1.00 0.00 N ATOM 430 CA GLY A 30 -12.285 3.719 -0.580 1.00 0.00 C ATOM 431 C GLY A 30 -13.300 3.456 -1.692 1.00 0.00 C ATOM 432 O GLY A 30 -13.342 2.381 -2.260 1.00 0.00 O ATOM 0 H GLY A 30 -11.692 1.816 0.198 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -12.798 3.900 0.365 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.703 4.613 -0.803 1.00 0.00 H new ATOM 436 N LYS A 31 -14.121 4.422 -2.013 1.00 0.00 N ATOM 437 CA LYS A 31 -15.134 4.215 -3.094 1.00 0.00 C ATOM 438 C LYS A 31 -14.553 4.659 -4.440 1.00 0.00 C ATOM 439 O LYS A 31 -15.183 4.532 -5.471 1.00 0.00 O ATOM 440 CB LYS A 31 -16.378 5.045 -2.785 1.00 0.00 C ATOM 441 CG LYS A 31 -17.017 4.544 -1.486 1.00 0.00 C ATOM 442 CD LYS A 31 -18.283 5.356 -1.176 1.00 0.00 C ATOM 443 CE LYS A 31 -18.825 4.959 0.203 1.00 0.00 C ATOM 444 NZ LYS A 31 -18.576 3.508 0.435 1.00 0.00 N ATOM 0 H LYS A 31 -14.135 5.343 -1.576 1.00 0.00 H new ATOM 0 HA LYS A 31 -15.397 3.158 -3.144 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -16.111 6.098 -2.689 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -17.091 4.970 -3.606 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -17.266 3.487 -1.578 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -16.307 4.634 -0.664 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -18.057 6.422 -1.196 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -19.039 5.176 -1.940 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -18.341 5.551 0.980 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -19.893 5.170 0.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -19.153 3.180 1.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -18.831 2.971 -0.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -17.570 3.359 0.650 1.00 0.00 H new ATOM 458 N GLY A 32 -13.360 5.187 -4.439 1.00 0.00 N ATOM 459 CA GLY A 32 -12.738 5.647 -5.717 1.00 0.00 C ATOM 460 C GLY A 32 -11.219 5.512 -5.622 1.00 0.00 C ATOM 461 O GLY A 32 -10.490 6.130 -6.373 1.00 0.00 O ATOM 0 H GLY A 32 -12.786 5.321 -3.607 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -13.115 5.055 -6.551 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -13.010 6.684 -5.914 1.00 0.00 H new ATOM 465 N GLY A 33 -10.725 4.726 -4.707 1.00 0.00 N ATOM 466 CA GLY A 33 -9.246 4.591 -4.588 1.00 0.00 C ATOM 467 C GLY A 33 -8.685 5.870 -3.969 1.00 0.00 C ATOM 468 O GLY A 33 -7.519 5.942 -3.635 1.00 0.00 O ATOM 0 H GLY A 33 -11.273 4.177 -4.044 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.994 3.730 -3.969 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.802 4.420 -5.569 1.00 0.00 H new ATOM 472 N GLN A 34 -9.502 6.894 -3.857 1.00 0.00 N ATOM 473 CA GLN A 34 -9.032 8.210 -3.301 1.00 0.00 C ATOM 474 C GLN A 34 -8.012 7.987 -2.173 1.00 0.00 C ATOM 475 O GLN A 34 -7.171 8.826 -1.915 1.00 0.00 O ATOM 476 CB GLN A 34 -10.247 8.957 -2.721 1.00 0.00 C ATOM 477 CG GLN A 34 -11.071 9.585 -3.852 1.00 0.00 C ATOM 478 CD GLN A 34 -10.308 10.772 -4.439 1.00 0.00 C ATOM 479 OE1 GLN A 34 -9.834 10.714 -5.557 1.00 0.00 O ATOM 480 NE2 GLN A 34 -10.164 11.855 -3.726 1.00 0.00 N ATOM 0 H GLN A 34 -10.485 6.875 -4.130 1.00 0.00 H new ATOM 0 HA GLN A 34 -8.561 8.785 -4.098 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -10.868 8.268 -2.148 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -9.912 9.732 -2.032 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -11.267 8.845 -4.628 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.039 9.913 -3.473 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -10.561 11.905 -2.788 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -9.654 12.652 -4.107 1.00 0.00 H new ATOM 489 N ARG A 35 -8.090 6.879 -1.483 1.00 0.00 N ATOM 490 CA ARG A 35 -7.134 6.636 -0.358 1.00 0.00 C ATOM 491 C ARG A 35 -5.845 6.010 -0.897 1.00 0.00 C ATOM 492 O ARG A 35 -4.766 6.292 -0.416 1.00 0.00 O ATOM 493 CB ARG A 35 -7.773 5.677 0.662 1.00 0.00 C ATOM 494 CG ARG A 35 -6.890 5.590 1.923 1.00 0.00 C ATOM 495 CD ARG A 35 -6.970 6.896 2.758 1.00 0.00 C ATOM 496 NE ARG A 35 -7.288 6.584 4.194 1.00 0.00 N ATOM 497 CZ ARG A 35 -8.330 5.869 4.529 1.00 0.00 C ATOM 498 NH1 ARG A 35 -9.180 5.474 3.621 1.00 0.00 N ATOM 499 NH2 ARG A 35 -8.535 5.572 5.782 1.00 0.00 N ATOM 0 H ARG A 35 -8.769 6.136 -1.647 1.00 0.00 H new ATOM 0 HA ARG A 35 -6.902 7.586 0.124 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -8.770 6.027 0.929 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.890 4.687 0.220 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -7.207 4.745 2.534 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -5.856 5.404 1.633 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.023 7.432 2.697 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -7.735 7.553 2.344 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.674 6.940 4.927 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -9.034 5.723 2.643 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -9.991 4.916 3.890 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.884 5.897 6.496 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -9.347 5.014 6.048 1.00 0.00 H new ATOM 513 N ILE A 36 -5.938 5.169 -1.891 1.00 0.00 N ATOM 514 CA ILE A 36 -4.703 4.542 -2.444 1.00 0.00 C ATOM 515 C ILE A 36 -3.958 5.570 -3.317 1.00 0.00 C ATOM 516 O ILE A 36 -2.752 5.518 -3.452 1.00 0.00 O ATOM 517 CB ILE A 36 -5.085 3.266 -3.236 1.00 0.00 C ATOM 518 CG1 ILE A 36 -5.011 2.032 -2.309 1.00 0.00 C ATOM 519 CG2 ILE A 36 -4.161 3.060 -4.447 1.00 0.00 C ATOM 520 CD1 ILE A 36 -3.561 1.544 -2.149 1.00 0.00 C ATOM 0 H ILE A 36 -6.809 4.890 -2.342 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.031 4.242 -1.640 1.00 0.00 H new ATOM 0 HB ILE A 36 -6.104 3.390 -3.604 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.423 2.283 -1.332 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.625 1.229 -2.718 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.456 2.157 -4.980 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.240 3.918 -5.115 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.131 2.959 -4.106 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -3.540 0.675 -1.492 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.159 1.271 -3.125 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.955 2.340 -1.717 1.00 0.00 H new ATOM 532 N LYS A 37 -4.660 6.504 -3.901 1.00 0.00 N ATOM 533 CA LYS A 37 -3.978 7.524 -4.748 1.00 0.00 C ATOM 534 C LYS A 37 -3.205 8.494 -3.849 1.00 0.00 C ATOM 535 O LYS A 37 -2.047 8.782 -4.085 1.00 0.00 O ATOM 536 CB LYS A 37 -5.024 8.299 -5.553 1.00 0.00 C ATOM 537 CG LYS A 37 -5.809 7.330 -6.441 1.00 0.00 C ATOM 538 CD LYS A 37 -6.871 8.102 -7.226 1.00 0.00 C ATOM 539 CE LYS A 37 -7.592 7.151 -8.185 1.00 0.00 C ATOM 540 NZ LYS A 37 -6.628 6.647 -9.204 1.00 0.00 N ATOM 0 H LYS A 37 -5.672 6.604 -3.828 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.287 7.030 -5.431 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.703 8.822 -4.879 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.537 9.057 -6.166 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.133 6.821 -7.128 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.281 6.561 -5.829 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.587 8.555 -6.540 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.406 8.915 -7.784 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.022 6.316 -7.631 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.418 7.668 -8.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.147 6.339 -10.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.966 7.407 -9.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.097 5.843 -8.812 1.00 0.00 H new ATOM 554 N GLN A 38 -3.832 9.007 -2.828 1.00 0.00 N ATOM 555 CA GLN A 38 -3.127 9.966 -1.928 1.00 0.00 C ATOM 556 C GLN A 38 -1.866 9.315 -1.351 1.00 0.00 C ATOM 557 O GLN A 38 -0.823 9.932 -1.266 1.00 0.00 O ATOM 558 CB GLN A 38 -4.060 10.368 -0.784 1.00 0.00 C ATOM 559 CG GLN A 38 -5.229 11.183 -1.339 1.00 0.00 C ATOM 560 CD GLN A 38 -4.721 12.541 -1.828 1.00 0.00 C ATOM 561 OE1 GLN A 38 -3.943 13.188 -1.156 1.00 0.00 O ATOM 562 NE2 GLN A 38 -5.131 13.003 -2.977 1.00 0.00 N ATOM 0 H GLN A 38 -4.800 8.805 -2.577 1.00 0.00 H new ATOM 0 HA GLN A 38 -2.843 10.849 -2.500 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.432 9.479 -0.275 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.514 10.953 -0.044 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -5.704 10.644 -2.159 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.987 11.323 -0.568 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.784 12.460 -3.541 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.798 13.907 -3.311 1.00 0.00 H new ATOM 571 N ILE A 39 -1.954 8.080 -0.943 1.00 0.00 N ATOM 572 CA ILE A 39 -0.763 7.398 -0.359 1.00 0.00 C ATOM 573 C ILE A 39 0.358 7.309 -1.402 1.00 0.00 C ATOM 574 O ILE A 39 1.527 7.354 -1.070 1.00 0.00 O ATOM 575 CB ILE A 39 -1.157 5.987 0.089 1.00 0.00 C ATOM 576 CG1 ILE A 39 -2.161 6.084 1.242 1.00 0.00 C ATOM 577 CG2 ILE A 39 0.084 5.227 0.560 1.00 0.00 C ATOM 578 CD1 ILE A 39 -2.789 4.711 1.491 1.00 0.00 C ATOM 0 H ILE A 39 -2.800 7.512 -0.988 1.00 0.00 H new ATOM 0 HA ILE A 39 -0.406 7.971 0.497 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.608 5.455 -0.749 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.661 6.436 2.144 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -2.936 6.812 1.003 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -0.202 4.224 0.877 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.801 5.158 -0.258 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.539 5.757 1.397 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -3.503 4.781 2.311 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.303 4.377 0.590 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -2.008 3.995 1.749 1.00 0.00 H new ATOM 590 N ARG A 40 0.018 7.175 -2.654 1.00 0.00 N ATOM 591 CA ARG A 40 1.074 7.075 -3.705 1.00 0.00 C ATOM 592 C ARG A 40 1.850 8.394 -3.794 1.00 0.00 C ATOM 593 O ARG A 40 3.065 8.408 -3.800 1.00 0.00 O ATOM 594 CB ARG A 40 0.422 6.780 -5.062 1.00 0.00 C ATOM 595 CG ARG A 40 0.039 5.301 -5.145 1.00 0.00 C ATOM 596 CD ARG A 40 -0.671 5.031 -6.473 1.00 0.00 C ATOM 597 NE ARG A 40 0.256 5.329 -7.601 1.00 0.00 N ATOM 598 CZ ARG A 40 -0.019 4.899 -8.802 1.00 0.00 C ATOM 599 NH1 ARG A 40 -1.107 4.211 -9.016 1.00 0.00 N ATOM 600 NH2 ARG A 40 0.794 5.158 -9.789 1.00 0.00 N ATOM 0 H ARG A 40 -0.942 7.130 -2.996 1.00 0.00 H new ATOM 0 HA ARG A 40 1.760 6.269 -3.443 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.464 7.402 -5.193 1.00 0.00 H new ATOM 0 HB3 ARG A 40 1.110 7.032 -5.869 1.00 0.00 H new ATOM 0 HG2 ARG A 40 0.930 4.679 -5.064 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.612 5.036 -4.312 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.995 3.991 -6.520 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.566 5.648 -6.551 1.00 0.00 H new ATOM 0 HE ARG A 40 1.105 5.869 -7.434 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -1.743 4.009 -8.244 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -1.322 3.875 -9.955 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.644 5.696 -9.622 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.580 4.822 -10.728 1.00 0.00 H new ATOM 614 N HIS A 41 1.160 9.498 -3.883 1.00 0.00 N ATOM 615 CA HIS A 41 1.866 10.806 -3.994 1.00 0.00 C ATOM 616 C HIS A 41 2.524 11.164 -2.659 1.00 0.00 C ATOM 617 O HIS A 41 3.556 11.807 -2.617 1.00 0.00 O ATOM 618 CB HIS A 41 0.857 11.895 -4.367 1.00 0.00 C ATOM 619 CG HIS A 41 0.203 11.545 -5.676 1.00 0.00 C ATOM 620 ND1 HIS A 41 -0.212 10.256 -5.972 1.00 0.00 N ATOM 621 CD2 HIS A 41 -0.114 12.303 -6.775 1.00 0.00 C ATOM 622 CE1 HIS A 41 -0.750 10.277 -7.205 1.00 0.00 C ATOM 623 NE2 HIS A 41 -0.716 11.500 -7.740 1.00 0.00 N ATOM 0 H HIS A 41 0.141 9.551 -3.884 1.00 0.00 H new ATOM 0 HA HIS A 41 2.635 10.732 -4.763 1.00 0.00 H new ATOM 0 HB2 HIS A 41 0.103 11.990 -3.586 1.00 0.00 H new ATOM 0 HB3 HIS A 41 1.359 12.859 -4.445 1.00 0.00 H new ATOM 0 HD2 HIS A 41 0.075 13.362 -6.876 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -1.160 9.410 -7.702 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -1.058 11.785 -8.658 1.00 0.00 H new ATOM 631 N GLU A 42 1.930 10.768 -1.567 1.00 0.00 N ATOM 632 CA GLU A 42 2.511 11.101 -0.234 1.00 0.00 C ATOM 633 C GLU A 42 3.712 10.198 0.065 1.00 0.00 C ATOM 634 O GLU A 42 4.721 10.645 0.574 1.00 0.00 O ATOM 635 CB GLU A 42 1.447 10.911 0.848 1.00 0.00 C ATOM 636 CG GLU A 42 1.934 11.533 2.159 1.00 0.00 C ATOM 637 CD GLU A 42 1.914 13.057 2.040 1.00 0.00 C ATOM 638 OE1 GLU A 42 0.830 13.613 1.981 1.00 0.00 O ATOM 639 OE2 GLU A 42 2.984 13.644 2.011 1.00 0.00 O ATOM 0 H GLU A 42 1.066 10.227 -1.540 1.00 0.00 H new ATOM 0 HA GLU A 42 2.845 12.139 -0.244 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.511 11.376 0.538 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.244 9.850 0.990 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.297 11.214 2.984 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.943 11.189 2.384 1.00 0.00 H new ATOM 646 N SER A 43 3.607 8.929 -0.226 1.00 0.00 N ATOM 647 CA SER A 43 4.739 7.999 0.066 1.00 0.00 C ATOM 648 C SER A 43 5.733 7.984 -1.097 1.00 0.00 C ATOM 649 O SER A 43 6.887 7.643 -0.930 1.00 0.00 O ATOM 650 CB SER A 43 4.193 6.588 0.286 1.00 0.00 C ATOM 651 OG SER A 43 3.896 5.999 -0.973 1.00 0.00 O ATOM 0 H SER A 43 2.788 8.496 -0.653 1.00 0.00 H new ATOM 0 HA SER A 43 5.253 8.342 0.964 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.924 5.982 0.821 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.296 6.625 0.904 1.00 0.00 H new ATOM 0 HG SER A 43 3.027 6.323 -1.289 1.00 0.00 H new ATOM 657 N GLY A 44 5.296 8.327 -2.276 1.00 0.00 N ATOM 658 CA GLY A 44 6.224 8.301 -3.443 1.00 0.00 C ATOM 659 C GLY A 44 6.386 6.848 -3.887 1.00 0.00 C ATOM 660 O GLY A 44 7.110 6.540 -4.813 1.00 0.00 O ATOM 0 H GLY A 44 4.342 8.623 -2.483 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.828 8.906 -4.258 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.190 8.726 -3.171 1.00 0.00 H new ATOM 664 N ALA A 45 5.712 5.956 -3.217 1.00 0.00 N ATOM 665 CA ALA A 45 5.804 4.512 -3.563 1.00 0.00 C ATOM 666 C ALA A 45 4.825 4.179 -4.688 1.00 0.00 C ATOM 667 O ALA A 45 3.861 4.880 -4.925 1.00 0.00 O ATOM 668 CB ALA A 45 5.450 3.680 -2.329 1.00 0.00 C ATOM 0 H ALA A 45 5.094 6.170 -2.434 1.00 0.00 H new ATOM 0 HA ALA A 45 6.818 4.285 -3.892 1.00 0.00 H new ATOM 0 HB1 ALA A 45 5.515 2.620 -2.574 1.00 0.00 H new ATOM 0 HB2 ALA A 45 6.147 3.910 -1.523 1.00 0.00 H new ATOM 0 HB3 ALA A 45 4.435 3.917 -2.009 1.00 0.00 H new ATOM 674 N SER A 46 5.052 3.070 -5.344 1.00 0.00 N ATOM 675 CA SER A 46 4.130 2.609 -6.426 1.00 0.00 C ATOM 676 C SER A 46 3.392 1.389 -5.877 1.00 0.00 C ATOM 677 O SER A 46 3.974 0.583 -5.181 1.00 0.00 O ATOM 678 CB SER A 46 4.940 2.209 -7.660 1.00 0.00 C ATOM 679 OG SER A 46 4.055 1.747 -8.673 1.00 0.00 O ATOM 0 H SER A 46 5.848 2.456 -5.173 1.00 0.00 H new ATOM 0 HA SER A 46 3.435 3.397 -6.716 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.515 3.061 -8.024 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.656 1.428 -7.402 1.00 0.00 H new ATOM 0 HG SER A 46 4.571 1.491 -9.466 1.00 0.00 H new ATOM 685 N ILE A 47 2.118 1.241 -6.150 1.00 0.00 N ATOM 686 CA ILE A 47 1.358 0.070 -5.605 1.00 0.00 C ATOM 687 C ILE A 47 0.437 -0.503 -6.682 1.00 0.00 C ATOM 688 O ILE A 47 -0.211 0.223 -7.409 1.00 0.00 O ATOM 689 CB ILE A 47 0.517 0.528 -4.401 1.00 0.00 C ATOM 690 CG1 ILE A 47 1.454 0.944 -3.258 1.00 0.00 C ATOM 691 CG2 ILE A 47 -0.389 -0.619 -3.928 1.00 0.00 C ATOM 692 CD1 ILE A 47 0.642 1.551 -2.111 1.00 0.00 C ATOM 0 H ILE A 47 1.571 1.880 -6.727 1.00 0.00 H new ATOM 0 HA ILE A 47 2.061 -0.702 -5.292 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.104 1.374 -4.696 1.00 0.00 H new ATOM 0 HG12 ILE A 47 2.012 0.079 -2.901 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.184 1.667 -3.620 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.981 -0.287 -3.075 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.055 -0.915 -4.739 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.225 -1.470 -3.634 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.314 1.843 -1.304 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.104 2.428 -2.471 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.071 0.814 -1.740 1.00 0.00 H new ATOM 704 N LYS A 48 0.373 -1.806 -6.782 1.00 0.00 N ATOM 705 CA LYS A 48 -0.499 -2.472 -7.794 1.00 0.00 C ATOM 706 C LYS A 48 -1.458 -3.405 -7.057 1.00 0.00 C ATOM 707 O LYS A 48 -1.041 -4.201 -6.239 1.00 0.00 O ATOM 708 CB LYS A 48 0.380 -3.297 -8.737 1.00 0.00 C ATOM 709 CG LYS A 48 -0.468 -3.848 -9.889 1.00 0.00 C ATOM 710 CD LYS A 48 0.403 -4.716 -10.816 1.00 0.00 C ATOM 711 CE LYS A 48 0.499 -6.146 -10.268 1.00 0.00 C ATOM 712 NZ LYS A 48 1.244 -6.998 -11.238 1.00 0.00 N ATOM 0 H LYS A 48 0.900 -2.449 -6.191 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.057 -1.732 -8.367 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.187 -2.679 -9.131 1.00 0.00 H new ATOM 0 HB3 LYS A 48 0.845 -4.118 -8.191 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.294 -4.439 -9.493 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -0.907 -3.026 -10.454 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.024 -4.731 -11.819 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.400 -4.283 -10.900 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.007 -6.144 -9.303 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.499 -6.552 -10.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.310 -7.968 -10.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.742 -7.008 -12.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.201 -6.613 -11.375 1.00 0.00 H new ATOM 726 N ILE A 49 -2.737 -3.321 -7.322 1.00 0.00 N ATOM 727 CA ILE A 49 -3.721 -4.203 -6.623 1.00 0.00 C ATOM 728 C ILE A 49 -4.090 -5.360 -7.553 1.00 0.00 C ATOM 729 O ILE A 49 -4.336 -5.168 -8.728 1.00 0.00 O ATOM 730 CB ILE A 49 -4.964 -3.371 -6.281 1.00 0.00 C ATOM 731 CG1 ILE A 49 -4.538 -2.162 -5.438 1.00 0.00 C ATOM 732 CG2 ILE A 49 -5.960 -4.217 -5.483 1.00 0.00 C ATOM 733 CD1 ILE A 49 -5.699 -1.176 -5.324 1.00 0.00 C ATOM 0 H ILE A 49 -3.145 -2.675 -7.997 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.297 -4.608 -5.704 1.00 0.00 H new ATOM 0 HB ILE A 49 -5.440 -3.037 -7.203 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.229 -2.490 -4.446 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.677 -1.673 -5.895 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.839 -3.617 -5.245 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.260 -5.081 -6.076 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.491 -4.556 -4.559 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.391 -0.319 -4.724 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.988 -0.838 -6.319 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.548 -1.667 -4.847 1.00 0.00 H new ATOM 745 N ASP A 50 -4.132 -6.565 -7.043 1.00 0.00 N ATOM 746 CA ASP A 50 -4.486 -7.739 -7.899 1.00 0.00 C ATOM 747 C ASP A 50 -5.982 -8.023 -7.763 1.00 0.00 C ATOM 748 O ASP A 50 -6.577 -7.759 -6.736 1.00 0.00 O ATOM 749 CB ASP A 50 -3.695 -8.962 -7.427 1.00 0.00 C ATOM 750 CG ASP A 50 -2.199 -8.702 -7.605 1.00 0.00 C ATOM 751 OD1 ASP A 50 -1.728 -7.694 -7.103 1.00 0.00 O ATOM 752 OD2 ASP A 50 -1.547 -9.515 -8.239 1.00 0.00 O ATOM 0 H ASP A 50 -3.936 -6.787 -6.067 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.244 -7.525 -8.940 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.917 -9.170 -6.380 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -3.992 -9.842 -7.997 1.00 0.00 H new ATOM 757 N GLU A 51 -6.595 -8.578 -8.773 1.00 0.00 N ATOM 758 CA GLU A 51 -8.045 -8.896 -8.678 1.00 0.00 C ATOM 759 C GLU A 51 -8.231 -10.005 -7.629 1.00 0.00 C ATOM 760 O GLU A 51 -7.322 -10.775 -7.388 1.00 0.00 O ATOM 761 CB GLU A 51 -8.523 -9.397 -10.051 1.00 0.00 C ATOM 762 CG GLU A 51 -8.821 -8.204 -10.965 1.00 0.00 C ATOM 763 CD GLU A 51 -9.182 -8.710 -12.362 1.00 0.00 C ATOM 764 OE1 GLU A 51 -8.316 -9.276 -13.009 1.00 0.00 O ATOM 765 OE2 GLU A 51 -10.319 -8.523 -12.763 1.00 0.00 O ATOM 0 H GLU A 51 -6.153 -8.824 -9.659 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.619 -8.016 -8.388 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -7.760 -10.031 -10.503 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.417 -10.009 -9.934 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.642 -7.615 -10.556 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.953 -7.547 -11.018 1.00 0.00 H new ATOM 772 N PRO A 52 -9.384 -10.108 -7.004 1.00 0.00 N ATOM 773 CA PRO A 52 -9.599 -11.175 -5.984 1.00 0.00 C ATOM 774 C PRO A 52 -9.541 -12.578 -6.607 1.00 0.00 C ATOM 775 O PRO A 52 -10.005 -12.800 -7.707 1.00 0.00 O ATOM 776 CB PRO A 52 -11.011 -10.849 -5.459 1.00 0.00 C ATOM 777 CG PRO A 52 -11.663 -9.865 -6.445 1.00 0.00 C ATOM 778 CD PRO A 52 -10.540 -9.194 -7.250 1.00 0.00 C ATOM 0 HA PRO A 52 -8.836 -11.189 -5.206 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.607 -11.758 -5.376 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.956 -10.411 -4.462 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.349 -10.389 -7.110 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.248 -9.118 -5.909 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.785 -9.124 -8.310 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.339 -8.181 -6.902 1.00 0.00 H new ATOM 786 N LEU A 53 -8.971 -13.525 -5.910 1.00 0.00 N ATOM 787 CA LEU A 53 -8.881 -14.906 -6.462 1.00 0.00 C ATOM 788 C LEU A 53 -10.221 -15.616 -6.267 1.00 0.00 C ATOM 789 O LEU A 53 -10.682 -15.805 -5.159 1.00 0.00 O ATOM 790 CB LEU A 53 -7.782 -15.685 -5.732 1.00 0.00 C ATOM 791 CG LEU A 53 -6.484 -14.871 -5.721 1.00 0.00 C ATOM 792 CD1 LEU A 53 -5.445 -15.585 -4.854 1.00 0.00 C ATOM 793 CD2 LEU A 53 -5.944 -14.728 -7.151 1.00 0.00 C ATOM 0 H LEU A 53 -8.564 -13.401 -4.983 1.00 0.00 H new ATOM 0 HA LEU A 53 -8.642 -14.856 -7.524 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -8.095 -15.901 -4.710 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -7.616 -16.644 -6.224 1.00 0.00 H new ATOM 0 HG LEU A 53 -6.685 -13.880 -5.314 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.520 -15.008 -4.845 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.824 -15.680 -3.836 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.250 -16.576 -5.263 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.021 -14.148 -7.135 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.744 -15.716 -7.565 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -6.682 -14.218 -7.769 1.00 0.00 H new ATOM 805 N GLU A 54 -10.848 -16.012 -7.338 1.00 0.00 N ATOM 806 CA GLU A 54 -12.159 -16.709 -7.220 1.00 0.00 C ATOM 807 C GLU A 54 -12.005 -17.932 -6.313 1.00 0.00 C ATOM 808 O GLU A 54 -11.309 -18.873 -6.643 1.00 0.00 O ATOM 809 CB GLU A 54 -12.624 -17.158 -8.608 1.00 0.00 C ATOM 810 CG GLU A 54 -12.999 -15.933 -9.443 1.00 0.00 C ATOM 811 CD GLU A 54 -13.534 -16.388 -10.802 1.00 0.00 C ATOM 812 OE1 GLU A 54 -14.261 -17.367 -10.833 1.00 0.00 O ATOM 813 OE2 GLU A 54 -13.208 -15.748 -11.789 1.00 0.00 O ATOM 0 H GLU A 54 -10.509 -15.883 -8.291 1.00 0.00 H new ATOM 0 HA GLU A 54 -12.896 -16.029 -6.792 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -11.833 -17.720 -9.104 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -13.481 -17.826 -8.518 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.752 -15.342 -8.923 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -12.128 -15.292 -9.579 1.00 0.00 H new ATOM 820 N GLY A 55 -12.654 -17.925 -5.174 1.00 0.00 N ATOM 821 CA GLY A 55 -12.559 -19.085 -4.229 1.00 0.00 C ATOM 822 C GLY A 55 -12.253 -18.577 -2.817 1.00 0.00 C ATOM 823 O GLY A 55 -12.426 -19.287 -1.846 1.00 0.00 O ATOM 0 H GLY A 55 -13.250 -17.161 -4.855 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -13.494 -19.645 -4.230 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.777 -19.770 -4.557 1.00 0.00 H new ATOM 827 N SER A 56 -11.793 -17.352 -2.697 1.00 0.00 N ATOM 828 CA SER A 56 -11.461 -16.782 -1.350 1.00 0.00 C ATOM 829 C SER A 56 -12.271 -15.503 -1.117 1.00 0.00 C ATOM 830 O SER A 56 -13.165 -15.173 -1.871 1.00 0.00 O ATOM 831 CB SER A 56 -9.971 -16.446 -1.303 1.00 0.00 C ATOM 832 OG SER A 56 -9.635 -15.977 -0.003 1.00 0.00 O ATOM 0 H SER A 56 -11.632 -16.719 -3.480 1.00 0.00 H new ATOM 0 HA SER A 56 -11.704 -17.511 -0.577 1.00 0.00 H new ATOM 0 HB2 SER A 56 -9.380 -17.328 -1.548 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.734 -15.687 -2.048 1.00 0.00 H new ATOM 0 HG SER A 56 -10.074 -16.538 0.671 1.00 0.00 H new ATOM 838 N GLU A 57 -11.954 -14.779 -0.075 1.00 0.00 N ATOM 839 CA GLU A 57 -12.687 -13.509 0.228 1.00 0.00 C ATOM 840 C GLU A 57 -11.681 -12.476 0.741 1.00 0.00 C ATOM 841 O GLU A 57 -11.960 -11.708 1.642 1.00 0.00 O ATOM 842 CB GLU A 57 -13.746 -13.777 1.299 1.00 0.00 C ATOM 843 CG GLU A 57 -14.552 -15.020 0.919 1.00 0.00 C ATOM 844 CD GLU A 57 -15.693 -15.217 1.920 1.00 0.00 C ATOM 845 OE1 GLU A 57 -15.501 -14.891 3.079 1.00 0.00 O ATOM 846 OE2 GLU A 57 -16.740 -15.691 1.508 1.00 0.00 O ATOM 0 H GLU A 57 -11.213 -15.014 0.585 1.00 0.00 H new ATOM 0 HA GLU A 57 -13.177 -13.133 -0.670 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -13.270 -13.922 2.269 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -14.408 -12.916 1.395 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -14.953 -14.912 -0.089 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -13.905 -15.897 0.912 1.00 0.00 H new ATOM 853 N ASP A 58 -10.506 -12.474 0.172 1.00 0.00 N ATOM 854 CA ASP A 58 -9.435 -11.519 0.600 1.00 0.00 C ATOM 855 C ASP A 58 -8.925 -10.733 -0.610 1.00 0.00 C ATOM 856 O ASP A 58 -9.038 -11.161 -1.742 1.00 0.00 O ATOM 857 CB ASP A 58 -8.278 -12.315 1.206 1.00 0.00 C ATOM 858 CG ASP A 58 -8.783 -13.115 2.409 1.00 0.00 C ATOM 859 OD1 ASP A 58 -9.347 -14.174 2.196 1.00 0.00 O ATOM 860 OD2 ASP A 58 -8.597 -12.652 3.523 1.00 0.00 O ATOM 0 H ASP A 58 -10.236 -13.103 -0.584 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.839 -10.823 1.335 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.856 -12.988 0.460 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.480 -11.639 1.514 1.00 0.00 H new ATOM 865 N ARG A 59 -8.341 -9.584 -0.363 1.00 0.00 N ATOM 866 CA ARG A 59 -7.781 -8.734 -1.460 1.00 0.00 C ATOM 867 C ARG A 59 -6.273 -8.613 -1.228 1.00 0.00 C ATOM 868 O ARG A 59 -5.832 -8.452 -0.107 1.00 0.00 O ATOM 869 CB ARG A 59 -8.430 -7.345 -1.396 1.00 0.00 C ATOM 870 CG ARG A 59 -9.879 -7.417 -1.925 1.00 0.00 C ATOM 871 CD ARG A 59 -9.907 -7.204 -3.443 1.00 0.00 C ATOM 872 NE ARG A 59 -9.593 -5.779 -3.748 1.00 0.00 N ATOM 873 CZ ARG A 59 -9.262 -5.429 -4.960 1.00 0.00 C ATOM 874 NH1 ARG A 59 -9.161 -6.333 -5.895 1.00 0.00 N ATOM 875 NH2 ARG A 59 -9.023 -4.175 -5.234 1.00 0.00 N ATOM 0 H ARG A 59 -8.227 -9.193 0.572 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.980 -9.173 -2.438 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -8.426 -6.979 -0.369 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -7.852 -6.636 -1.989 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -10.314 -8.386 -1.680 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -10.490 -6.659 -1.434 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -9.183 -7.859 -3.927 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -10.888 -7.465 -3.840 1.00 0.00 H new ATOM 0 HE ARG A 59 -9.637 -5.078 -3.009 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -9.341 -7.313 -5.678 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -8.902 -6.060 -6.843 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.095 -3.470 -4.500 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.764 -3.900 -6.182 1.00 0.00 H new ATOM 889 N ILE A 60 -5.477 -8.715 -2.267 1.00 0.00 N ATOM 890 CA ILE A 60 -3.988 -8.636 -2.092 1.00 0.00 C ATOM 891 C ILE A 60 -3.430 -7.340 -2.693 1.00 0.00 C ATOM 892 O ILE A 60 -4.015 -6.735 -3.570 1.00 0.00 O ATOM 893 CB ILE A 60 -3.358 -9.852 -2.771 1.00 0.00 C ATOM 894 CG1 ILE A 60 -3.734 -11.101 -1.966 1.00 0.00 C ATOM 895 CG2 ILE A 60 -1.833 -9.705 -2.798 1.00 0.00 C ATOM 896 CD1 ILE A 60 -3.428 -12.348 -2.784 1.00 0.00 C ATOM 0 H ILE A 60 -5.792 -8.849 -3.228 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.747 -8.633 -1.029 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.722 -9.934 -3.795 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.178 -11.123 -1.029 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.793 -11.074 -1.708 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.392 -10.576 -3.283 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.564 -8.806 -3.352 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.457 -9.629 -1.778 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.696 -13.235 -2.210 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.004 -12.327 -3.709 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.364 -12.376 -3.020 1.00 0.00 H new ATOM 908 N ILE A 61 -2.291 -6.919 -2.205 1.00 0.00 N ATOM 909 CA ILE A 61 -1.667 -5.659 -2.719 1.00 0.00 C ATOM 910 C ILE A 61 -0.150 -5.828 -2.826 1.00 0.00 C ATOM 911 O ILE A 61 0.469 -6.451 -1.989 1.00 0.00 O ATOM 912 CB ILE A 61 -1.968 -4.509 -1.748 1.00 0.00 C ATOM 913 CG1 ILE A 61 -3.480 -4.255 -1.732 1.00 0.00 C ATOM 914 CG2 ILE A 61 -1.231 -3.240 -2.210 1.00 0.00 C ATOM 915 CD1 ILE A 61 -3.803 -3.089 -0.796 1.00 0.00 C ATOM 0 H ILE A 61 -1.764 -7.393 -1.472 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.078 -5.438 -3.704 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.630 -4.771 -0.745 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.831 -4.032 -2.740 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.005 -5.152 -1.404 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.445 -2.424 -1.520 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -0.158 -3.429 -2.227 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.568 -2.968 -3.210 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.879 -2.915 -0.790 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.469 -3.329 0.213 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.292 -2.191 -1.143 1.00 0.00 H new ATOM 927 N THR A 62 0.450 -5.267 -3.851 1.00 0.00 N ATOM 928 CA THR A 62 1.936 -5.376 -4.030 1.00 0.00 C ATOM 929 C THR A 62 2.560 -3.982 -3.936 1.00 0.00 C ATOM 930 O THR A 62 2.192 -3.077 -4.659 1.00 0.00 O ATOM 931 CB THR A 62 2.240 -5.980 -5.406 1.00 0.00 C ATOM 932 OG1 THR A 62 1.698 -7.291 -5.475 1.00 0.00 O ATOM 933 CG2 THR A 62 3.754 -6.041 -5.616 1.00 0.00 C ATOM 0 H THR A 62 -0.029 -4.734 -4.577 1.00 0.00 H new ATOM 0 HA THR A 62 2.353 -6.016 -3.252 1.00 0.00 H new ATOM 0 HB THR A 62 1.793 -5.359 -6.182 1.00 0.00 H new ATOM 0 HG1 THR A 62 1.890 -7.678 -6.355 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.969 -6.471 -6.595 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.170 -5.035 -5.562 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.204 -6.661 -4.841 1.00 0.00 H new ATOM 941 N ILE A 63 3.503 -3.797 -3.043 1.00 0.00 N ATOM 942 CA ILE A 63 4.161 -2.464 -2.878 1.00 0.00 C ATOM 943 C ILE A 63 5.554 -2.498 -3.511 1.00 0.00 C ATOM 944 O ILE A 63 6.313 -3.415 -3.267 1.00 0.00 O ATOM 945 CB ILE A 63 4.319 -2.179 -1.383 1.00 0.00 C ATOM 946 CG1 ILE A 63 2.977 -2.420 -0.683 1.00 0.00 C ATOM 947 CG2 ILE A 63 4.762 -0.723 -1.185 1.00 0.00 C ATOM 948 CD1 ILE A 63 3.063 -1.958 0.772 1.00 0.00 C ATOM 0 H ILE A 63 3.848 -4.523 -2.414 1.00 0.00 H new ATOM 0 HA ILE A 63 3.555 -1.695 -3.357 1.00 0.00 H new ATOM 0 HB ILE A 63 5.073 -2.840 -0.956 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.184 -1.879 -1.200 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.720 -3.478 -0.724 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.875 -0.519 -0.120 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.715 -0.561 -1.689 1.00 0.00 H new ATOM 0 HG23 ILE A 63 4.011 -0.054 -1.605 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.107 -2.131 1.266 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.844 -2.519 1.286 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.300 -0.894 0.803 1.00 0.00 H new ATOM 960 N THR A 64 5.912 -1.514 -4.302 1.00 0.00 N ATOM 961 CA THR A 64 7.283 -1.509 -4.921 1.00 0.00 C ATOM 962 C THR A 64 7.931 -0.144 -4.688 1.00 0.00 C ATOM 963 O THR A 64 7.334 0.885 -4.935 1.00 0.00 O ATOM 964 CB THR A 64 7.173 -1.774 -6.425 1.00 0.00 C ATOM 965 OG1 THR A 64 6.281 -2.856 -6.649 1.00 0.00 O ATOM 966 CG2 THR A 64 8.553 -2.125 -6.985 1.00 0.00 C ATOM 0 H THR A 64 5.322 -0.719 -4.546 1.00 0.00 H new ATOM 0 HA THR A 64 7.892 -2.289 -4.465 1.00 0.00 H new ATOM 0 HB THR A 64 6.796 -0.882 -6.925 1.00 0.00 H new ATOM 0 HG1 THR A 64 6.208 -3.026 -7.611 1.00 0.00 H new ATOM 0 HG21 THR A 64 8.474 -2.314 -8.056 1.00 0.00 H new ATOM 0 HG22 THR A 64 9.238 -1.295 -6.812 1.00 0.00 H new ATOM 0 HG23 THR A 64 8.932 -3.017 -6.486 1.00 0.00 H new ATOM 974 N GLY A 65 9.144 -0.119 -4.201 1.00 0.00 N ATOM 975 CA GLY A 65 9.832 1.174 -3.935 1.00 0.00 C ATOM 976 C GLY A 65 11.011 0.921 -2.988 1.00 0.00 C ATOM 977 O GLY A 65 11.330 -0.208 -2.673 1.00 0.00 O ATOM 0 H GLY A 65 9.691 -0.950 -3.975 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.185 1.613 -4.868 1.00 0.00 H new ATOM 0 HA3 GLY A 65 9.137 1.887 -3.491 1.00 0.00 H new ATOM 981 N THR A 66 11.660 1.955 -2.528 1.00 0.00 N ATOM 982 CA THR A 66 12.813 1.754 -1.599 1.00 0.00 C ATOM 983 C THR A 66 12.296 1.312 -0.225 1.00 0.00 C ATOM 984 O THR A 66 11.146 1.499 0.116 1.00 0.00 O ATOM 985 CB THR A 66 13.607 3.054 -1.465 1.00 0.00 C ATOM 986 OG1 THR A 66 12.709 4.142 -1.296 1.00 0.00 O ATOM 987 CG2 THR A 66 14.445 3.272 -2.726 1.00 0.00 C ATOM 0 H THR A 66 11.445 2.927 -2.752 1.00 0.00 H new ATOM 0 HA THR A 66 13.468 0.981 -2.001 1.00 0.00 H new ATOM 0 HB THR A 66 14.266 2.991 -0.599 1.00 0.00 H new ATOM 0 HG1 THR A 66 13.217 4.975 -1.209 1.00 0.00 H new ATOM 0 HG21 THR A 66 15.011 4.199 -2.631 1.00 0.00 H new ATOM 0 HG22 THR A 66 15.134 2.437 -2.854 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.788 3.336 -3.593 1.00 0.00 H new ATOM 995 N GLN A 67 13.157 0.708 0.557 1.00 0.00 N ATOM 996 CA GLN A 67 12.758 0.219 1.910 1.00 0.00 C ATOM 997 C GLN A 67 11.981 1.309 2.658 1.00 0.00 C ATOM 998 O GLN A 67 10.951 1.054 3.249 1.00 0.00 O ATOM 999 CB GLN A 67 14.034 -0.154 2.702 1.00 0.00 C ATOM 1000 CG GLN A 67 13.790 -1.403 3.559 1.00 0.00 C ATOM 1001 CD GLN A 67 12.569 -1.182 4.455 1.00 0.00 C ATOM 1002 OE1 GLN A 67 12.355 -0.001 4.962 1.00 0.00 O flip ATOM 1003 NE2 GLN A 67 11.804 -2.094 4.695 1.00 0.00 N flip ATOM 0 H GLN A 67 14.131 0.532 0.311 1.00 0.00 H new ATOM 0 HA GLN A 67 12.116 -0.656 1.808 1.00 0.00 H new ATOM 0 HB2 GLN A 67 14.858 -0.335 2.011 1.00 0.00 H new ATOM 0 HB3 GLN A 67 14.330 0.679 3.339 1.00 0.00 H new ATOM 0 HG2 GLN A 67 13.631 -2.270 2.918 1.00 0.00 H new ATOM 0 HG3 GLN A 67 14.668 -1.614 4.169 1.00 0.00 H new ATOM 0 HE21 GLN A 67 11.972 -3.018 4.298 1.00 0.00 H new ATOM 0 HE22 GLN A 67 10.994 -1.936 5.294 1.00 0.00 H new ATOM 1012 N ASP A 68 12.478 2.512 2.651 1.00 0.00 N ATOM 1013 CA ASP A 68 11.777 3.606 3.376 1.00 0.00 C ATOM 1014 C ASP A 68 10.455 3.925 2.682 1.00 0.00 C ATOM 1015 O ASP A 68 9.429 4.047 3.322 1.00 0.00 O ATOM 1016 CB ASP A 68 12.660 4.856 3.400 1.00 0.00 C ATOM 1017 CG ASP A 68 13.993 4.526 4.076 1.00 0.00 C ATOM 1018 OD1 ASP A 68 14.673 3.634 3.594 1.00 0.00 O ATOM 1019 OD2 ASP A 68 14.311 5.170 5.061 1.00 0.00 O ATOM 0 H ASP A 68 13.338 2.785 2.176 1.00 0.00 H new ATOM 0 HA ASP A 68 11.576 3.286 4.398 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.833 5.211 2.384 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.157 5.660 3.937 1.00 0.00 H new ATOM 1024 N GLN A 69 10.455 4.072 1.388 1.00 0.00 N ATOM 1025 CA GLN A 69 9.182 4.393 0.690 1.00 0.00 C ATOM 1026 C GLN A 69 8.151 3.306 1.003 1.00 0.00 C ATOM 1027 O GLN A 69 6.974 3.571 1.153 1.00 0.00 O ATOM 1028 CB GLN A 69 9.420 4.453 -0.821 1.00 0.00 C ATOM 1029 CG GLN A 69 10.250 5.692 -1.158 1.00 0.00 C ATOM 1030 CD GLN A 69 10.702 5.621 -2.618 1.00 0.00 C ATOM 1031 OE1 GLN A 69 10.960 4.552 -3.134 1.00 0.00 O ATOM 1032 NE2 GLN A 69 10.809 6.721 -3.309 1.00 0.00 N ATOM 0 H GLN A 69 11.275 3.985 0.788 1.00 0.00 H new ATOM 0 HA GLN A 69 8.813 5.360 1.031 1.00 0.00 H new ATOM 0 HB2 GLN A 69 9.938 3.554 -1.154 1.00 0.00 H new ATOM 0 HB3 GLN A 69 8.467 4.486 -1.349 1.00 0.00 H new ATOM 0 HG2 GLN A 69 9.661 6.594 -0.992 1.00 0.00 H new ATOM 0 HG3 GLN A 69 11.117 5.752 -0.500 1.00 0.00 H new ATOM 0 HE21 GLN A 69 10.592 7.619 -2.876 1.00 0.00 H new ATOM 0 HE22 GLN A 69 11.109 6.684 -4.283 1.00 0.00 H new ATOM 1041 N ILE A 70 8.594 2.080 1.103 1.00 0.00 N ATOM 1042 CA ILE A 70 7.664 0.955 1.407 1.00 0.00 C ATOM 1043 C ILE A 70 7.191 1.037 2.863 1.00 0.00 C ATOM 1044 O ILE A 70 6.017 0.895 3.143 1.00 0.00 O ATOM 1045 CB ILE A 70 8.395 -0.380 1.189 1.00 0.00 C ATOM 1046 CG1 ILE A 70 8.622 -0.596 -0.311 1.00 0.00 C ATOM 1047 CG2 ILE A 70 7.553 -1.538 1.746 1.00 0.00 C ATOM 1048 CD1 ILE A 70 9.554 -1.791 -0.524 1.00 0.00 C ATOM 0 H ILE A 70 9.570 1.809 0.986 1.00 0.00 H new ATOM 0 HA ILE A 70 6.799 1.021 0.746 1.00 0.00 H new ATOM 0 HB ILE A 70 9.353 -0.351 1.708 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.670 -0.771 -0.811 1.00 0.00 H new ATOM 0 HG13 ILE A 70 9.056 0.300 -0.756 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.079 -2.479 1.587 1.00 0.00 H new ATOM 0 HG22 ILE A 70 7.390 -1.389 2.813 1.00 0.00 H new ATOM 0 HG23 ILE A 70 6.592 -1.568 1.233 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.714 -1.942 -1.592 1.00 0.00 H new ATOM 0 HD12 ILE A 70 10.510 -1.598 -0.038 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.103 -2.685 -0.094 1.00 0.00 H new ATOM 1060 N GLN A 71 8.079 1.265 3.795 1.00 0.00 N ATOM 1061 CA GLN A 71 7.665 1.354 5.223 1.00 0.00 C ATOM 1062 C GLN A 71 6.668 2.500 5.394 1.00 0.00 C ATOM 1063 O GLN A 71 5.675 2.373 6.083 1.00 0.00 O ATOM 1064 CB GLN A 71 8.900 1.627 6.084 1.00 0.00 C ATOM 1065 CG GLN A 71 8.505 1.629 7.561 1.00 0.00 C ATOM 1066 CD GLN A 71 9.761 1.754 8.426 1.00 0.00 C ATOM 1067 OE1 GLN A 71 10.763 2.475 8.002 1.00 0.00 O flip ATOM 1068 NE2 GLN A 71 9.832 1.189 9.499 1.00 0.00 N flip ATOM 0 H GLN A 71 9.077 1.394 3.626 1.00 0.00 H new ATOM 0 HA GLN A 71 7.198 0.418 5.529 1.00 0.00 H new ATOM 0 HB2 GLN A 71 9.659 0.866 5.901 1.00 0.00 H new ATOM 0 HB3 GLN A 71 9.340 2.587 5.813 1.00 0.00 H new ATOM 0 HG2 GLN A 71 7.826 2.457 7.766 1.00 0.00 H new ATOM 0 HG3 GLN A 71 7.971 0.711 7.807 1.00 0.00 H new ATOM 0 HE21 GLN A 71 9.050 0.625 9.831 1.00 0.00 H new ATOM 0 HE22 GLN A 71 10.674 1.278 10.068 1.00 0.00 H new ATOM 1077 N ASN A 72 6.923 3.618 4.772 1.00 0.00 N ATOM 1078 CA ASN A 72 5.989 4.769 4.900 1.00 0.00 C ATOM 1079 C ASN A 72 4.630 4.368 4.331 1.00 0.00 C ATOM 1080 O ASN A 72 3.593 4.737 4.846 1.00 0.00 O ATOM 1081 CB ASN A 72 6.541 5.967 4.124 1.00 0.00 C ATOM 1082 CG ASN A 72 7.809 6.479 4.811 1.00 0.00 C ATOM 1083 OD1 ASN A 72 8.596 5.703 5.316 1.00 0.00 O ATOM 1084 ND2 ASN A 72 8.042 7.762 4.850 1.00 0.00 N ATOM 0 H ASN A 72 7.738 3.783 4.181 1.00 0.00 H new ATOM 0 HA ASN A 72 5.882 5.044 5.949 1.00 0.00 H new ATOM 0 HB2 ASN A 72 6.763 5.678 3.097 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.794 6.760 4.078 1.00 0.00 H new ATOM 0 HD21 ASN A 72 8.885 8.114 5.304 1.00 0.00 H new ATOM 0 HD22 ASN A 72 7.381 8.413 4.426 1.00 0.00 H new ATOM 1091 N ALA A 73 4.630 3.612 3.268 1.00 0.00 N ATOM 1092 CA ALA A 73 3.344 3.185 2.657 1.00 0.00 C ATOM 1093 C ALA A 73 2.669 2.146 3.555 1.00 0.00 C ATOM 1094 O ALA A 73 1.480 2.198 3.794 1.00 0.00 O ATOM 1095 CB ALA A 73 3.617 2.574 1.281 1.00 0.00 C ATOM 0 H ALA A 73 5.468 3.272 2.797 1.00 0.00 H new ATOM 0 HA ALA A 73 2.687 4.048 2.549 1.00 0.00 H new ATOM 0 HB1 ALA A 73 2.676 2.259 0.829 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.096 3.316 0.642 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.274 1.711 1.390 1.00 0.00 H new ATOM 1101 N GLN A 74 3.420 1.199 4.052 1.00 0.00 N ATOM 1102 CA GLN A 74 2.828 0.151 4.931 1.00 0.00 C ATOM 1103 C GLN A 74 2.162 0.801 6.146 1.00 0.00 C ATOM 1104 O GLN A 74 1.040 0.489 6.488 1.00 0.00 O ATOM 1105 CB GLN A 74 3.933 -0.796 5.408 1.00 0.00 C ATOM 1106 CG GLN A 74 4.361 -1.705 4.254 1.00 0.00 C ATOM 1107 CD GLN A 74 5.421 -2.692 4.749 1.00 0.00 C ATOM 1108 OE1 GLN A 74 6.594 -2.380 4.774 1.00 0.00 O ATOM 1109 NE2 GLN A 74 5.053 -3.879 5.150 1.00 0.00 N ATOM 0 H GLN A 74 4.422 1.107 3.886 1.00 0.00 H new ATOM 0 HA GLN A 74 2.080 -0.406 4.367 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.787 -0.223 5.769 1.00 0.00 H new ATOM 0 HB3 GLN A 74 3.576 -1.397 6.244 1.00 0.00 H new ATOM 0 HG2 GLN A 74 3.499 -2.246 3.864 1.00 0.00 H new ATOM 0 HG3 GLN A 74 4.760 -1.107 3.434 1.00 0.00 H new ATOM 0 HE21 GLN A 74 4.068 -4.142 5.129 1.00 0.00 H new ATOM 0 HE22 GLN A 74 5.751 -4.544 5.484 1.00 0.00 H new ATOM 1118 N TYR A 75 2.847 1.690 6.812 1.00 0.00 N ATOM 1119 CA TYR A 75 2.248 2.338 8.012 1.00 0.00 C ATOM 1120 C TYR A 75 0.964 3.073 7.620 1.00 0.00 C ATOM 1121 O TYR A 75 -0.009 3.061 8.347 1.00 0.00 O ATOM 1122 CB TYR A 75 3.244 3.323 8.626 1.00 0.00 C ATOM 1123 CG TYR A 75 2.649 3.929 9.875 1.00 0.00 C ATOM 1124 CD1 TYR A 75 2.811 3.289 11.111 1.00 0.00 C ATOM 1125 CD2 TYR A 75 1.937 5.132 9.800 1.00 0.00 C ATOM 1126 CE1 TYR A 75 2.260 3.850 12.269 1.00 0.00 C ATOM 1127 CE2 TYR A 75 1.386 5.694 10.958 1.00 0.00 C ATOM 1128 CZ TYR A 75 1.548 5.054 12.192 1.00 0.00 C ATOM 1129 OH TYR A 75 1.005 5.607 13.334 1.00 0.00 O ATOM 0 H TYR A 75 3.792 1.994 6.578 1.00 0.00 H new ATOM 0 HA TYR A 75 2.009 1.570 8.748 1.00 0.00 H new ATOM 0 HB2 TYR A 75 4.176 2.812 8.866 1.00 0.00 H new ATOM 0 HB3 TYR A 75 3.486 4.107 7.908 1.00 0.00 H new ATOM 0 HD1 TYR A 75 3.362 2.362 11.170 1.00 0.00 H new ATOM 0 HD2 TYR A 75 1.813 5.627 8.848 1.00 0.00 H new ATOM 0 HE1 TYR A 75 2.384 3.355 13.221 1.00 0.00 H new ATOM 0 HE2 TYR A 75 0.836 6.622 10.899 1.00 0.00 H new ATOM 0 HH TYR A 75 0.545 6.442 13.106 1.00 0.00 H new ATOM 1139 N LEU A 76 0.942 3.713 6.482 1.00 0.00 N ATOM 1140 CA LEU A 76 -0.297 4.436 6.080 1.00 0.00 C ATOM 1141 C LEU A 76 -1.388 3.417 5.746 1.00 0.00 C ATOM 1142 O LEU A 76 -2.560 3.735 5.733 1.00 0.00 O ATOM 1143 CB LEU A 76 -0.025 5.330 4.864 1.00 0.00 C ATOM 1144 CG LEU A 76 0.988 6.431 5.230 1.00 0.00 C ATOM 1145 CD1 LEU A 76 1.645 6.970 3.955 1.00 0.00 C ATOM 1146 CD2 LEU A 76 0.279 7.587 5.951 1.00 0.00 C ATOM 0 H LEU A 76 1.717 3.766 5.822 1.00 0.00 H new ATOM 0 HA LEU A 76 -0.626 5.068 6.905 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.361 4.729 4.041 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.955 5.781 4.520 1.00 0.00 H new ATOM 0 HG LEU A 76 1.745 6.004 5.888 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.361 7.749 4.216 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.162 6.159 3.441 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.880 7.386 3.299 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.006 8.358 6.204 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.485 8.009 5.298 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.188 7.215 6.863 1.00 0.00 H new ATOM 1158 N LEU A 77 -1.020 2.188 5.497 1.00 0.00 N ATOM 1159 CA LEU A 77 -2.052 1.155 5.191 1.00 0.00 C ATOM 1160 C LEU A 77 -2.593 0.605 6.515 1.00 0.00 C ATOM 1161 O LEU A 77 -3.785 0.467 6.709 1.00 0.00 O ATOM 1162 CB LEU A 77 -1.422 0.012 4.372 1.00 0.00 C ATOM 1163 CG LEU A 77 -1.355 0.397 2.878 1.00 0.00 C ATOM 1164 CD1 LEU A 77 -0.324 -0.485 2.167 1.00 0.00 C ATOM 1165 CD2 LEU A 77 -2.722 0.195 2.201 1.00 0.00 C ATOM 0 H LEU A 77 -0.055 1.856 5.492 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.861 1.597 4.609 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.420 -0.202 4.745 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.009 -0.898 4.494 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.071 1.447 2.808 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.277 -0.213 1.113 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.655 -0.340 2.623 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.615 -1.531 2.259 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.652 0.472 1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.017 -0.851 2.281 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.467 0.821 2.692 1.00 0.00 H new ATOM 1177 N GLN A 78 -1.709 0.298 7.428 1.00 0.00 N ATOM 1178 CA GLN A 78 -2.137 -0.242 8.749 1.00 0.00 C ATOM 1179 C GLN A 78 -2.998 0.790 9.484 1.00 0.00 C ATOM 1180 O GLN A 78 -3.957 0.449 10.148 1.00 0.00 O ATOM 1181 CB GLN A 78 -0.890 -0.549 9.589 1.00 0.00 C ATOM 1182 CG GLN A 78 -1.307 -1.229 10.894 1.00 0.00 C ATOM 1183 CD GLN A 78 -0.059 -1.689 11.652 1.00 0.00 C ATOM 1184 OE1 GLN A 78 0.198 -1.238 12.750 1.00 0.00 O ATOM 1185 NE2 GLN A 78 0.732 -2.574 11.108 1.00 0.00 N ATOM 0 H GLN A 78 -0.701 0.400 7.312 1.00 0.00 H new ATOM 0 HA GLN A 78 -2.721 -1.150 8.596 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.213 -1.195 9.031 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -0.348 0.372 9.804 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -1.884 -0.538 11.508 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -1.952 -2.082 10.682 1.00 0.00 H new ATOM 0 HE21 GLN A 78 0.516 -2.953 10.186 1.00 0.00 H new ATOM 0 HE22 GLN A 78 1.566 -2.887 11.605 1.00 0.00 H new ATOM 1194 N ASN A 79 -2.659 2.053 9.389 1.00 0.00 N ATOM 1195 CA ASN A 79 -3.468 3.086 10.102 1.00 0.00 C ATOM 1196 C ASN A 79 -4.743 3.386 9.311 1.00 0.00 C ATOM 1197 O ASN A 79 -5.726 3.829 9.870 1.00 0.00 O ATOM 1198 CB ASN A 79 -2.651 4.360 10.320 1.00 0.00 C ATOM 1199 CG ASN A 79 -3.396 5.291 11.280 1.00 0.00 C ATOM 1200 OD1 ASN A 79 -4.548 5.787 10.924 1.00 0.00 O flip ATOM 1201 ND2 ASN A 79 -2.923 5.567 12.363 1.00 0.00 N flip ATOM 0 H ASN A 79 -1.866 2.409 8.855 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.747 2.698 11.082 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.671 4.110 10.727 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.482 4.863 9.368 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.022 5.178 12.640 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.427 6.188 12.996 1.00 0.00 H new ATOM 1208 N SER A 80 -4.761 3.144 8.033 1.00 0.00 N ATOM 1209 CA SER A 80 -6.016 3.424 7.281 1.00 0.00 C ATOM 1210 C SER A 80 -7.101 2.521 7.869 1.00 0.00 C ATOM 1211 O SER A 80 -8.252 2.892 7.984 1.00 0.00 O ATOM 1212 CB SER A 80 -5.819 3.119 5.795 1.00 0.00 C ATOM 1213 OG SER A 80 -5.486 1.746 5.637 1.00 0.00 O ATOM 0 H SER A 80 -3.984 2.774 7.486 1.00 0.00 H new ATOM 0 HA SER A 80 -6.297 4.473 7.369 1.00 0.00 H new ATOM 0 HB2 SER A 80 -6.729 3.350 5.241 1.00 0.00 H new ATOM 0 HB3 SER A 80 -5.028 3.746 5.385 1.00 0.00 H new ATOM 0 HG SER A 80 -4.846 1.483 6.331 1.00 0.00 H new ATOM 1219 N VAL A 81 -6.722 1.329 8.235 1.00 0.00 N ATOM 1220 CA VAL A 81 -7.691 0.355 8.816 1.00 0.00 C ATOM 1221 C VAL A 81 -8.493 1.008 9.944 1.00 0.00 C ATOM 1222 O VAL A 81 -9.705 0.937 9.972 1.00 0.00 O ATOM 1223 CB VAL A 81 -6.928 -0.846 9.384 1.00 0.00 C ATOM 1224 CG1 VAL A 81 -7.912 -1.982 9.678 1.00 0.00 C ATOM 1225 CG2 VAL A 81 -5.883 -1.320 8.371 1.00 0.00 C ATOM 0 H VAL A 81 -5.766 0.982 8.155 1.00 0.00 H new ATOM 0 HA VAL A 81 -8.373 0.031 8.030 1.00 0.00 H new ATOM 0 HB VAL A 81 -6.426 -0.553 10.306 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -7.370 -2.837 10.082 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.651 -1.644 10.405 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.416 -2.274 8.757 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.342 -2.174 8.779 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.380 -1.613 7.446 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.182 -0.511 8.166 1.00 0.00 H new ATOM 1235 N LYS A 82 -7.835 1.625 10.886 1.00 0.00 N ATOM 1236 CA LYS A 82 -8.572 2.255 12.016 1.00 0.00 C ATOM 1237 C LYS A 82 -9.736 3.097 11.473 1.00 0.00 C ATOM 1238 O LYS A 82 -10.730 3.284 12.148 1.00 0.00 O ATOM 1239 CB LYS A 82 -7.608 3.109 12.842 1.00 0.00 C ATOM 1240 CG LYS A 82 -6.641 2.199 13.624 1.00 0.00 C ATOM 1241 CD LYS A 82 -5.398 2.993 14.066 1.00 0.00 C ATOM 1242 CE LYS A 82 -4.298 2.020 14.497 1.00 0.00 C ATOM 1243 NZ LYS A 82 -4.879 0.974 15.385 1.00 0.00 N ATOM 0 H LYS A 82 -6.820 1.720 10.922 1.00 0.00 H new ATOM 0 HA LYS A 82 -8.987 1.483 12.663 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -7.046 3.775 12.187 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -8.167 3.739 13.533 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -7.146 1.786 14.497 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -6.340 1.357 13.001 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -5.044 3.620 13.248 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -5.653 3.659 14.890 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -3.844 1.557 13.621 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.507 2.557 15.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.123 0.541 15.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -5.582 1.407 16.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -5.338 0.243 14.806 1.00 0.00 H new ATOM 1257 N GLN A 83 -9.659 3.576 10.261 1.00 0.00 N ATOM 1258 CA GLN A 83 -10.812 4.358 9.718 1.00 0.00 C ATOM 1259 C GLN A 83 -12.024 3.433 9.683 1.00 0.00 C ATOM 1260 O GLN A 83 -13.145 3.850 9.473 1.00 0.00 O ATOM 1261 CB GLN A 83 -10.489 4.855 8.308 1.00 0.00 C ATOM 1262 CG GLN A 83 -11.564 5.847 7.857 1.00 0.00 C ATOM 1263 CD GLN A 83 -11.169 6.450 6.507 1.00 0.00 C ATOM 1264 OE1 GLN A 83 -10.939 5.733 5.553 1.00 0.00 O ATOM 1265 NE2 GLN A 83 -11.080 7.746 6.385 1.00 0.00 N ATOM 0 H GLN A 83 -8.864 3.464 9.631 1.00 0.00 H new ATOM 0 HA GLN A 83 -11.014 5.226 10.345 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -9.510 5.333 8.295 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -10.442 4.014 7.616 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -12.527 5.343 7.774 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -11.680 6.636 8.600 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -11.273 8.348 7.185 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -10.817 8.157 5.489 1.00 0.00 H new ATOM 1274 N TYR A 84 -11.776 2.175 9.898 1.00 0.00 N ATOM 1275 CA TYR A 84 -12.871 1.159 9.904 1.00 0.00 C ATOM 1276 C TYR A 84 -14.052 1.705 10.710 1.00 0.00 C ATOM 1277 O TYR A 84 -14.135 1.522 11.908 1.00 0.00 O ATOM 1278 CB TYR A 84 -12.368 -0.135 10.547 1.00 0.00 C ATOM 1279 CG TYR A 84 -13.502 -1.130 10.625 1.00 0.00 C ATOM 1280 CD1 TYR A 84 -13.841 -1.894 9.502 1.00 0.00 C ATOM 1281 CD2 TYR A 84 -14.214 -1.289 11.821 1.00 0.00 C ATOM 1282 CE1 TYR A 84 -14.893 -2.815 9.573 1.00 0.00 C ATOM 1283 CE2 TYR A 84 -15.266 -2.210 11.892 1.00 0.00 C ATOM 1284 CZ TYR A 84 -15.605 -2.974 10.768 1.00 0.00 C ATOM 1285 OH TYR A 84 -16.641 -3.882 10.839 1.00 0.00 O ATOM 0 H TYR A 84 -10.845 1.797 10.073 1.00 0.00 H new ATOM 0 HA TYR A 84 -13.186 0.952 8.881 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -11.546 -0.549 9.963 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -11.979 0.069 11.545 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -13.291 -1.773 8.581 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -13.951 -0.701 12.688 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -15.155 -3.403 8.706 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -15.816 -2.331 12.813 1.00 0.00 H new ATOM 0 HH TYR A 84 -17.027 -3.868 11.739 1.00 0.00 H new ATOM 1295 N SER A 85 -14.940 2.406 10.062 1.00 0.00 N ATOM 1296 CA SER A 85 -16.102 3.004 10.783 1.00 0.00 C ATOM 1297 C SER A 85 -15.561 3.804 11.965 1.00 0.00 C ATOM 1298 O SER A 85 -16.179 3.896 13.008 1.00 0.00 O ATOM 1299 CB SER A 85 -17.058 1.901 11.276 1.00 0.00 C ATOM 1300 OG SER A 85 -16.312 0.743 11.624 1.00 0.00 O ATOM 0 H SER A 85 -14.912 2.592 9.060 1.00 0.00 H new ATOM 0 HA SER A 85 -16.664 3.654 10.112 1.00 0.00 H new ATOM 0 HB2 SER A 85 -17.623 2.254 12.138 1.00 0.00 H new ATOM 0 HB3 SER A 85 -17.782 1.659 10.498 1.00 0.00 H new ATOM 0 HG SER A 85 -15.600 0.989 12.251 1.00 0.00 H new ATOM 1306 N GLY A 86 -14.398 4.373 11.806 1.00 0.00 N ATOM 1307 CA GLY A 86 -13.796 5.156 12.915 1.00 0.00 C ATOM 1308 C GLY A 86 -13.577 4.226 14.104 1.00 0.00 C ATOM 1309 O GLY A 86 -14.300 3.268 14.290 1.00 0.00 O ATOM 0 H GLY A 86 -13.840 4.328 10.954 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -12.850 5.595 12.598 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -14.451 5.981 13.195 1.00 0.00 H new ATOM 1313 N LYS A 87 -12.588 4.492 14.907 1.00 0.00 N ATOM 1314 CA LYS A 87 -12.336 3.613 16.083 1.00 0.00 C ATOM 1315 C LYS A 87 -13.485 3.771 17.079 1.00 0.00 C ATOM 1316 O LYS A 87 -13.291 4.114 18.228 1.00 0.00 O ATOM 1317 CB LYS A 87 -11.013 4.003 16.744 1.00 0.00 C ATOM 1318 CG LYS A 87 -9.856 3.713 15.781 1.00 0.00 C ATOM 1319 CD LYS A 87 -8.534 3.709 16.545 1.00 0.00 C ATOM 1320 CE LYS A 87 -8.389 5.008 17.346 1.00 0.00 C ATOM 1321 NZ LYS A 87 -8.791 6.165 16.496 1.00 0.00 N ATOM 0 H LYS A 87 -11.945 5.276 14.802 1.00 0.00 H new ATOM 0 HA LYS A 87 -12.275 2.574 15.761 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -11.024 5.060 17.008 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -10.878 3.444 17.670 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -10.008 2.749 15.295 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -9.829 4.466 14.994 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -8.495 2.851 17.217 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.702 3.607 15.848 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.011 4.967 18.241 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.358 5.129 17.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -8.294 7.020 16.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.542 5.971 15.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -9.818 6.312 16.573 1.00 0.00 H new ATOM 1335 N PHE A 88 -14.683 3.522 16.631 1.00 0.00 N ATOM 1336 CA PHE A 88 -15.873 3.648 17.512 1.00 0.00 C ATOM 1337 C PHE A 88 -17.089 3.108 16.761 1.00 0.00 C ATOM 1338 O PHE A 88 -17.224 1.919 16.553 1.00 0.00 O ATOM 1339 CB PHE A 88 -16.086 5.122 17.872 1.00 0.00 C ATOM 1340 CG PHE A 88 -17.240 5.243 18.843 1.00 0.00 C ATOM 1341 CD1 PHE A 88 -17.130 4.693 20.127 1.00 0.00 C ATOM 1342 CD2 PHE A 88 -18.414 5.905 18.465 1.00 0.00 C ATOM 1343 CE1 PHE A 88 -18.193 4.804 21.031 1.00 0.00 C ATOM 1344 CE2 PHE A 88 -19.477 6.017 19.370 1.00 0.00 C ATOM 1345 CZ PHE A 88 -19.366 5.466 20.653 1.00 0.00 C ATOM 0 H PHE A 88 -14.889 3.232 15.675 1.00 0.00 H new ATOM 0 HA PHE A 88 -15.728 3.081 18.432 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -15.179 5.534 18.315 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -16.292 5.701 16.972 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -16.224 4.183 20.420 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -18.500 6.329 17.476 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -18.108 4.379 22.020 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -20.383 6.528 19.079 1.00 0.00 H new ATOM 0 HZ PHE A 88 -20.186 5.552 21.350 1.00 0.00 H new ATOM 1355 N PHE A 89 -17.968 3.970 16.347 1.00 0.00 N ATOM 1356 CA PHE A 89 -19.172 3.508 15.600 1.00 0.00 C ATOM 1357 C PHE A 89 -19.925 4.720 15.044 1.00 0.00 C ATOM 1358 O PHE A 89 -19.625 5.825 15.467 1.00 0.00 O ATOM 1359 CB PHE A 89 -20.088 2.726 16.544 1.00 0.00 C ATOM 1360 CG PHE A 89 -21.299 2.237 15.787 1.00 0.00 C ATOM 1361 CD1 PHE A 89 -22.423 3.063 15.652 1.00 0.00 C ATOM 1362 CD2 PHE A 89 -21.300 0.956 15.221 1.00 0.00 C ATOM 1363 CE1 PHE A 89 -23.546 2.607 14.952 1.00 0.00 C ATOM 1364 CE2 PHE A 89 -22.423 0.501 14.520 1.00 0.00 C ATOM 1365 CZ PHE A 89 -23.546 1.326 14.385 1.00 0.00 C ATOM 1366 OXT PHE A 89 -20.789 4.522 14.205 1.00 0.00 O ATOM 0 H PHE A 89 -17.908 4.978 16.492 1.00 0.00 H new ATOM 0 HA PHE A 89 -18.864 2.864 14.776 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -19.549 1.881 16.972 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -20.398 3.360 17.374 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -22.423 4.051 16.088 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -20.434 0.319 15.325 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -24.413 3.243 14.849 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -22.423 -0.487 14.083 1.00 0.00 H new ATOM 0 HZ PHE A 89 -24.412 0.975 13.844 1.00 0.00 H new TER 1376 PHE A 89