USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 777 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 72 LYS NZ :NH3+ -117:sc= 0.0433 (180deg=-1.17) USER MOD Set 1.2: A 75 THR OG1 : rot 80:sc= 0.79 USER MOD Set 2.1: A 21 THR OG1 : rot 134:sc= 0.147 USER MOD Set 2.2: A 24 THR OG1 : rot 180:sc= -0.09 USER MOD Single : A 1 GLY N :NH3+ -147:sc= 0.0136 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 40:sc= 0.444 USER MOD Single : A 6 SER OG : rot 67:sc= 0.00906 USER MOD Single : A 9 SER OG : rot -45:sc= 0.132 USER MOD Single : A 13 GLN : amide:sc= -0.0619 K(o=-0.062,f=-1.6!) USER MOD Single : A 14 ASN : amide:sc= -0.452 X(o=-0.45,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.212 X(o=-0.21,f=-0.065) USER MOD Single : A 18 THR OG1 : rot -28:sc= 0.222 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.804 USER MOD Single : A 38 ASN : amide:sc= -0.0612 K(o=-0.061,f=-1.9!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 30:sc= -0.238 USER MOD Single : A 45 THR OG1 : rot 146:sc= 0.968! USER MOD Single : A 52 ASN : amide:sc= -0.179 X(o=-0.18,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 55 GLN : amide:sc= -1.74 K(o=-1.7,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.66 K(o=-0.66,f=-4!) USER MOD Single : A 59 ASN : amide:sc= -4.11! C(o=-4.1!,f=-4.9!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0137 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.078 USER MOD Single : A 67 THR OG1 : rot 170:sc= -0.843 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 49:sc= 1.89 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot -176:sc= -1 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0245) USER MOD Single : A 89 SER OG : rot -160:sc= 0 USER MOD Single : A 93 SER OG : rot 72:sc= -0.696 USER MOD Single : A 95 SER OG : rot 162:sc= 1.22 USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot -140:sc= -0.212 USER MOD Single : A 100 THR OG1 : rot -142:sc= -0.253 USER MOD Single : A 101 MET CE :methyl 160:sc= -0.699 (180deg=-2.15) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.792 -17.907 -15.703 1.00 0.00 N ATOM 2 CA GLY A 1 9.393 -18.273 -15.827 1.00 0.00 C ATOM 3 C GLY A 1 8.586 -17.904 -14.598 1.00 0.00 C ATOM 4 O GLY A 1 8.845 -16.884 -13.960 1.00 0.00 O ATOM 0 H1 GLY A 1 11.166 -17.644 -16.637 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.883 -17.100 -15.054 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.330 -18.715 -15.329 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.967 -17.778 -16.700 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.315 -19.346 -16.000 1.00 0.00 H new ATOM 8 N SER A 2 7.603 -18.735 -14.266 1.00 0.00 N ATOM 9 CA SER A 2 6.751 -18.488 -13.109 1.00 0.00 C ATOM 10 C SER A 2 6.551 -19.765 -12.299 1.00 0.00 C ATOM 11 O SER A 2 6.549 -20.867 -12.848 1.00 0.00 O ATOM 12 CB SER A 2 5.396 -17.935 -13.555 1.00 0.00 C ATOM 13 OG SER A 2 4.588 -18.957 -14.114 1.00 0.00 O ATOM 0 H SER A 2 7.377 -19.585 -14.782 1.00 0.00 H new ATOM 0 HA SER A 2 7.245 -17.751 -12.476 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.884 -17.487 -12.703 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.546 -17.143 -14.289 1.00 0.00 H new ATOM 0 HG SER A 2 3.727 -18.579 -14.390 1.00 0.00 H new ATOM 19 N SER A 3 6.383 -19.608 -10.990 1.00 0.00 N ATOM 20 CA SER A 3 6.185 -20.748 -10.103 1.00 0.00 C ATOM 21 C SER A 3 4.706 -21.107 -10.000 1.00 0.00 C ATOM 22 O SER A 3 4.210 -21.440 -8.925 1.00 0.00 O ATOM 23 CB SER A 3 6.745 -20.442 -8.712 1.00 0.00 C ATOM 24 OG SER A 3 8.121 -20.110 -8.778 1.00 0.00 O ATOM 0 H SER A 3 6.380 -18.703 -10.520 1.00 0.00 H new ATOM 0 HA SER A 3 6.719 -21.600 -10.523 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.190 -19.617 -8.266 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.607 -21.307 -8.063 1.00 0.00 H new ATOM 0 HG SER A 3 8.455 -19.917 -7.877 1.00 0.00 H new ATOM 30 N GLY A 4 4.007 -21.037 -11.129 1.00 0.00 N ATOM 31 CA GLY A 4 2.591 -21.357 -11.145 1.00 0.00 C ATOM 32 C GLY A 4 1.761 -20.354 -10.369 1.00 0.00 C ATOM 33 O GLY A 4 2.107 -19.990 -9.245 1.00 0.00 O ATOM 0 H GLY A 4 4.395 -20.765 -12.032 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.241 -21.392 -12.177 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.442 -22.351 -10.724 1.00 0.00 H new ATOM 37 N SER A 5 0.664 -19.905 -10.970 1.00 0.00 N ATOM 38 CA SER A 5 -0.215 -18.933 -10.330 1.00 0.00 C ATOM 39 C SER A 5 -0.837 -19.515 -9.064 1.00 0.00 C ATOM 40 O SER A 5 -1.696 -20.394 -9.128 1.00 0.00 O ATOM 41 CB SER A 5 -1.316 -18.494 -11.297 1.00 0.00 C ATOM 42 OG SER A 5 -2.015 -19.613 -11.815 1.00 0.00 O ATOM 0 H SER A 5 0.363 -20.199 -11.899 1.00 0.00 H new ATOM 0 HA SER A 5 0.384 -18.065 -10.055 1.00 0.00 H new ATOM 0 HB2 SER A 5 -2.013 -17.832 -10.783 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.879 -17.923 -12.116 1.00 0.00 H new ATOM 0 HG SER A 5 -2.154 -20.270 -11.102 1.00 0.00 H new ATOM 48 N SER A 6 -0.396 -19.016 -7.913 1.00 0.00 N ATOM 49 CA SER A 6 -0.905 -19.488 -6.630 1.00 0.00 C ATOM 50 C SER A 6 -1.437 -18.327 -5.796 1.00 0.00 C ATOM 51 O SER A 6 -2.514 -18.411 -5.209 1.00 0.00 O ATOM 52 CB SER A 6 0.194 -20.223 -5.860 1.00 0.00 C ATOM 53 OG SER A 6 0.657 -21.350 -6.584 1.00 0.00 O ATOM 0 H SER A 6 0.312 -18.285 -7.843 1.00 0.00 H new ATOM 0 HA SER A 6 -1.726 -20.178 -6.825 1.00 0.00 H new ATOM 0 HB2 SER A 6 1.025 -19.544 -5.668 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.188 -20.542 -4.890 1.00 0.00 H new ATOM 0 HG SER A 6 1.120 -21.051 -7.394 1.00 0.00 H new ATOM 59 N GLY A 7 -0.671 -17.241 -5.750 1.00 0.00 N ATOM 60 CA GLY A 7 -1.080 -16.077 -4.985 1.00 0.00 C ATOM 61 C GLY A 7 -2.500 -15.649 -5.297 1.00 0.00 C ATOM 62 O GLY A 7 -3.162 -16.207 -6.172 1.00 0.00 O ATOM 0 H GLY A 7 0.225 -17.146 -6.228 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.996 -16.297 -3.921 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.400 -15.251 -5.194 1.00 0.00 H new ATOM 66 N PRO A 8 -2.990 -14.635 -4.568 1.00 0.00 N ATOM 67 CA PRO A 8 -4.346 -14.110 -4.752 1.00 0.00 C ATOM 68 C PRO A 8 -4.506 -13.366 -6.073 1.00 0.00 C ATOM 69 O PRO A 8 -3.525 -12.918 -6.666 1.00 0.00 O ATOM 70 CB PRO A 8 -4.518 -13.149 -3.573 1.00 0.00 C ATOM 71 CG PRO A 8 -3.133 -12.734 -3.217 1.00 0.00 C ATOM 72 CD PRO A 8 -2.257 -13.922 -3.508 1.00 0.00 C ATOM 0 HA PRO A 8 -5.090 -14.906 -4.783 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -5.130 -12.290 -3.848 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.013 -13.637 -2.733 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.823 -11.868 -3.801 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.069 -12.450 -2.167 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.265 -13.618 -3.841 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.120 -14.546 -2.625 1.00 0.00 H new ATOM 80 N SER A 9 -5.748 -13.238 -6.529 1.00 0.00 N ATOM 81 CA SER A 9 -6.035 -12.551 -7.783 1.00 0.00 C ATOM 82 C SER A 9 -6.921 -11.332 -7.543 1.00 0.00 C ATOM 83 O SER A 9 -7.414 -10.714 -8.486 1.00 0.00 O ATOM 84 CB SER A 9 -6.716 -13.504 -8.767 1.00 0.00 C ATOM 85 OG SER A 9 -6.609 -13.025 -10.096 1.00 0.00 O ATOM 0 H SER A 9 -6.572 -13.601 -6.049 1.00 0.00 H new ATOM 0 HA SER A 9 -5.090 -12.214 -8.209 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.261 -14.492 -8.695 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.767 -13.617 -8.501 1.00 0.00 H new ATOM 0 HG SER A 9 -6.814 -12.067 -10.116 1.00 0.00 H new ATOM 91 N GLY A 10 -7.118 -10.991 -6.273 1.00 0.00 N ATOM 92 CA GLY A 10 -7.943 -9.848 -5.931 1.00 0.00 C ATOM 93 C GLY A 10 -7.237 -8.879 -5.003 1.00 0.00 C ATOM 94 O GLY A 10 -6.542 -9.292 -4.075 1.00 0.00 O ATOM 0 H GLY A 10 -6.721 -11.486 -5.475 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.232 -9.327 -6.844 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.861 -10.195 -5.458 1.00 0.00 H new ATOM 98 N PHE A 11 -7.412 -7.586 -5.256 1.00 0.00 N ATOM 99 CA PHE A 11 -6.784 -6.556 -4.437 1.00 0.00 C ATOM 100 C PHE A 11 -7.800 -5.913 -3.498 1.00 0.00 C ATOM 101 O PHE A 11 -9.005 -5.916 -3.749 1.00 0.00 O ATOM 102 CB PHE A 11 -6.147 -5.486 -5.327 1.00 0.00 C ATOM 103 CG PHE A 11 -7.006 -5.088 -6.494 1.00 0.00 C ATOM 104 CD1 PHE A 11 -7.140 -5.925 -7.589 1.00 0.00 C ATOM 105 CD2 PHE A 11 -7.678 -3.877 -6.494 1.00 0.00 C ATOM 106 CE1 PHE A 11 -7.929 -5.561 -8.664 1.00 0.00 C ATOM 107 CE2 PHE A 11 -8.469 -3.507 -7.566 1.00 0.00 C ATOM 108 CZ PHE A 11 -8.595 -4.351 -8.652 1.00 0.00 C ATOM 0 H PHE A 11 -7.983 -7.227 -6.021 1.00 0.00 H new ATOM 0 HA PHE A 11 -6.008 -7.028 -3.835 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -5.935 -4.603 -4.724 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.191 -5.856 -5.699 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.622 -6.873 -7.603 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -7.583 -3.214 -5.647 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.025 -6.222 -9.513 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -8.987 -2.560 -7.554 1.00 0.00 H new ATOM 0 HZ PHE A 11 -9.213 -4.065 -9.490 1.00 0.00 H new ATOM 118 N PRO A 12 -7.303 -5.348 -2.387 1.00 0.00 N ATOM 119 CA PRO A 12 -8.149 -4.690 -1.387 1.00 0.00 C ATOM 120 C PRO A 12 -8.747 -3.386 -1.901 1.00 0.00 C ATOM 121 O PRO A 12 -8.447 -2.951 -3.012 1.00 0.00 O ATOM 122 CB PRO A 12 -7.184 -4.417 -0.231 1.00 0.00 C ATOM 123 CG PRO A 12 -5.839 -4.344 -0.868 1.00 0.00 C ATOM 124 CD PRO A 12 -5.876 -5.306 -2.023 1.00 0.00 C ATOM 0 HA PRO A 12 -9.005 -5.305 -1.110 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.431 -3.486 0.279 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.226 -5.210 0.515 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.623 -3.332 -1.210 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.056 -4.615 -0.159 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.260 -4.961 -2.853 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.505 -6.290 -1.738 1.00 0.00 H new ATOM 132 N GLN A 13 -9.595 -2.767 -1.085 1.00 0.00 N ATOM 133 CA GLN A 13 -10.235 -1.511 -1.459 1.00 0.00 C ATOM 134 C GLN A 13 -10.195 -0.515 -0.305 1.00 0.00 C ATOM 135 O GLN A 13 -9.620 -0.791 0.747 1.00 0.00 O ATOM 136 CB GLN A 13 -11.683 -1.760 -1.884 1.00 0.00 C ATOM 137 CG GLN A 13 -11.874 -3.046 -2.673 1.00 0.00 C ATOM 138 CD GLN A 13 -11.666 -2.853 -4.162 1.00 0.00 C ATOM 139 OE1 GLN A 13 -11.324 -1.761 -4.616 1.00 0.00 O ATOM 140 NE2 GLN A 13 -11.872 -3.915 -4.931 1.00 0.00 N ATOM 0 H GLN A 13 -9.854 -3.114 -0.162 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.685 -1.087 -2.299 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -12.313 -1.792 -0.995 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -12.025 -0.919 -2.487 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.176 -3.799 -2.307 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -12.879 -3.430 -2.497 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -12.155 -4.801 -4.512 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.748 -3.845 -5.941 1.00 0.00 H new ATOM 149 N ASN A 14 -10.811 0.645 -0.509 1.00 0.00 N ATOM 150 CA ASN A 14 -10.845 1.683 0.514 1.00 0.00 C ATOM 151 C ASN A 14 -9.437 2.169 0.844 1.00 0.00 C ATOM 152 O ASN A 14 -9.165 2.606 1.962 1.00 0.00 O ATOM 153 CB ASN A 14 -11.525 1.158 1.780 1.00 0.00 C ATOM 154 CG ASN A 14 -13.020 1.409 1.780 1.00 0.00 C ATOM 155 OD1 ASN A 14 -13.598 1.787 2.799 1.00 0.00 O ATOM 156 ND2 ASN A 14 -13.655 1.198 0.632 1.00 0.00 N ATOM 0 H ASN A 14 -11.293 0.889 -1.374 1.00 0.00 H new ATOM 0 HA ASN A 14 -11.418 2.524 0.123 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -11.339 0.088 1.872 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -11.079 1.635 2.653 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -14.662 1.349 0.571 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -13.136 0.885 -0.188 1.00 0.00 H new ATOM 163 N LEU A 15 -8.545 2.089 -0.138 1.00 0.00 N ATOM 164 CA LEU A 15 -7.164 2.520 0.047 1.00 0.00 C ATOM 165 C LEU A 15 -7.056 4.041 -0.013 1.00 0.00 C ATOM 166 O LEU A 15 -7.344 4.654 -1.041 1.00 0.00 O ATOM 167 CB LEU A 15 -6.265 1.891 -1.019 1.00 0.00 C ATOM 168 CG LEU A 15 -4.759 2.012 -0.784 1.00 0.00 C ATOM 169 CD1 LEU A 15 -4.352 1.252 0.468 1.00 0.00 C ATOM 170 CD2 LEU A 15 -3.988 1.503 -1.994 1.00 0.00 C ATOM 0 H LEU A 15 -8.754 1.730 -1.070 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.835 2.189 1.032 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.516 0.833 -1.099 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.500 2.348 -1.980 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.516 3.065 -0.640 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.277 1.349 0.619 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.878 1.662 1.330 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.608 0.199 0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.918 1.597 -1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.236 0.456 -2.169 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.258 2.091 -2.871 1.00 0.00 H new ATOM 182 N HIS A 16 -6.636 4.643 1.095 1.00 0.00 N ATOM 183 CA HIS A 16 -6.487 6.093 1.167 1.00 0.00 C ATOM 184 C HIS A 16 -5.732 6.499 2.430 1.00 0.00 C ATOM 185 O HIS A 16 -5.257 5.648 3.182 1.00 0.00 O ATOM 186 CB HIS A 16 -7.857 6.770 1.139 1.00 0.00 C ATOM 187 CG HIS A 16 -8.814 6.229 2.157 1.00 0.00 C ATOM 188 ND1 HIS A 16 -9.950 5.524 1.822 1.00 0.00 N ATOM 189 CD2 HIS A 16 -8.797 6.293 3.509 1.00 0.00 C ATOM 190 CE1 HIS A 16 -10.592 5.179 2.924 1.00 0.00 C ATOM 191 NE2 HIS A 16 -9.912 5.632 3.961 1.00 0.00 N ATOM 0 H HIS A 16 -6.393 4.150 1.954 1.00 0.00 H new ATOM 0 HA HIS A 16 -5.912 6.418 0.300 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.728 7.839 1.306 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -8.291 6.652 0.146 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -8.046 6.774 4.118 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -11.516 4.621 2.969 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -10.173 5.511 4.940 1.00 0.00 H new ATOM 200 N VAL A 17 -5.624 7.804 2.655 1.00 0.00 N ATOM 201 CA VAL A 17 -4.927 8.323 3.826 1.00 0.00 C ATOM 202 C VAL A 17 -5.909 8.907 4.835 1.00 0.00 C ATOM 203 O VAL A 17 -6.779 9.705 4.483 1.00 0.00 O ATOM 204 CB VAL A 17 -3.904 9.406 3.436 1.00 0.00 C ATOM 205 CG1 VAL A 17 -4.583 10.531 2.670 1.00 0.00 C ATOM 206 CG2 VAL A 17 -3.198 9.942 4.673 1.00 0.00 C ATOM 0 H VAL A 17 -6.010 8.522 2.042 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.401 7.483 4.279 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.155 8.956 2.785 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.844 11.287 2.403 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.037 10.131 1.763 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.354 10.982 3.294 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.479 10.706 4.379 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.932 10.377 5.351 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.677 9.128 5.176 1.00 0.00 H new ATOM 216 N THR A 18 -5.764 8.505 6.094 1.00 0.00 N ATOM 217 CA THR A 18 -6.638 8.988 7.156 1.00 0.00 C ATOM 218 C THR A 18 -6.010 10.165 7.893 1.00 0.00 C ATOM 219 O THR A 18 -6.681 10.865 8.651 1.00 0.00 O ATOM 220 CB THR A 18 -6.958 7.874 8.170 1.00 0.00 C ATOM 221 OG1 THR A 18 -7.987 8.308 9.067 1.00 0.00 O ATOM 222 CG2 THR A 18 -5.717 7.490 8.962 1.00 0.00 C ATOM 0 H THR A 18 -5.049 7.846 6.403 1.00 0.00 H new ATOM 0 HA THR A 18 -7.563 9.313 6.680 1.00 0.00 H new ATOM 0 HB THR A 18 -7.303 6.999 7.618 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.948 9.283 9.162 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.968 6.702 9.672 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.946 7.132 8.280 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.347 8.361 9.503 1.00 0.00 H new ATOM 230 N GLY A 19 -4.718 10.379 7.665 1.00 0.00 N ATOM 231 CA GLY A 19 -4.021 11.474 8.314 1.00 0.00 C ATOM 232 C GLY A 19 -2.570 11.573 7.886 1.00 0.00 C ATOM 233 O GLY A 19 -1.669 11.164 8.620 1.00 0.00 O ATOM 0 H GLY A 19 -4.141 9.813 7.042 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.529 12.411 8.084 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.069 11.342 9.395 1.00 0.00 H new ATOM 237 N LEU A 20 -2.342 12.115 6.695 1.00 0.00 N ATOM 238 CA LEU A 20 -0.990 12.265 6.169 1.00 0.00 C ATOM 239 C LEU A 20 -0.201 13.289 6.978 1.00 0.00 C ATOM 240 O LEU A 20 -0.755 13.982 7.832 1.00 0.00 O ATOM 241 CB LEU A 20 -1.037 12.685 4.699 1.00 0.00 C ATOM 242 CG LEU A 20 -1.044 14.191 4.432 1.00 0.00 C ATOM 243 CD1 LEU A 20 -1.298 14.470 2.959 1.00 0.00 C ATOM 244 CD2 LEU A 20 -2.090 14.881 5.295 1.00 0.00 C ATOM 0 H LEU A 20 -3.076 12.458 6.075 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.487 11.301 6.249 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.177 12.250 4.190 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.929 12.252 4.246 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.065 14.592 4.694 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.300 15.546 2.788 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.513 14.008 2.361 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.264 14.055 2.671 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.081 15.952 5.092 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.076 14.477 5.065 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.864 14.710 6.347 1.00 0.00 H new ATOM 256 N THR A 21 1.096 13.383 6.702 1.00 0.00 N ATOM 257 CA THR A 21 1.961 14.323 7.403 1.00 0.00 C ATOM 258 C THR A 21 3.031 14.884 6.473 1.00 0.00 C ATOM 259 O THR A 21 3.312 14.315 5.418 1.00 0.00 O ATOM 260 CB THR A 21 2.644 13.662 8.615 1.00 0.00 C ATOM 261 OG1 THR A 21 1.673 12.974 9.410 1.00 0.00 O ATOM 262 CG2 THR A 21 3.360 14.701 9.465 1.00 0.00 C ATOM 0 H THR A 21 1.571 12.819 5.997 1.00 0.00 H new ATOM 0 HA THR A 21 1.326 15.136 7.753 1.00 0.00 H new ATOM 0 HB THR A 21 3.380 12.948 8.245 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.012 12.084 9.642 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.835 14.211 10.315 1.00 0.00 H new ATOM 0 HG22 THR A 21 4.119 15.202 8.864 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.640 15.435 9.825 1.00 0.00 H new ATOM 270 N THR A 22 3.627 16.003 6.872 1.00 0.00 N ATOM 271 CA THR A 22 4.667 16.641 6.074 1.00 0.00 C ATOM 272 C THR A 22 5.843 15.698 5.848 1.00 0.00 C ATOM 273 O THR A 22 6.496 15.744 4.806 1.00 0.00 O ATOM 274 CB THR A 22 5.178 17.930 6.745 1.00 0.00 C ATOM 275 OG1 THR A 22 5.734 17.627 8.029 1.00 0.00 O ATOM 276 CG2 THR A 22 4.053 18.942 6.900 1.00 0.00 C ATOM 0 H THR A 22 3.407 16.486 7.743 1.00 0.00 H new ATOM 0 HA THR A 22 4.218 16.894 5.113 1.00 0.00 H new ATOM 0 HB THR A 22 5.950 18.363 6.109 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.058 18.452 8.448 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.438 19.844 7.376 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.652 19.193 5.918 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.262 18.515 7.517 1.00 0.00 H new ATOM 284 N SER A 23 6.107 14.843 6.831 1.00 0.00 N ATOM 285 CA SER A 23 7.207 13.891 6.740 1.00 0.00 C ATOM 286 C SER A 23 6.682 12.469 6.566 1.00 0.00 C ATOM 287 O SER A 23 7.221 11.686 5.782 1.00 0.00 O ATOM 288 CB SER A 23 8.085 13.972 7.991 1.00 0.00 C ATOM 289 OG SER A 23 9.056 14.997 7.867 1.00 0.00 O ATOM 0 H SER A 23 5.574 14.790 7.699 1.00 0.00 H new ATOM 0 HA SER A 23 7.806 14.149 5.867 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.462 14.161 8.865 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.581 13.015 8.154 1.00 0.00 H new ATOM 0 HG SER A 23 9.603 15.030 8.680 1.00 0.00 H new ATOM 295 N THR A 24 5.625 12.141 7.302 1.00 0.00 N ATOM 296 CA THR A 24 5.026 10.814 7.231 1.00 0.00 C ATOM 297 C THR A 24 3.665 10.861 6.546 1.00 0.00 C ATOM 298 O THR A 24 3.122 11.937 6.294 1.00 0.00 O ATOM 299 CB THR A 24 4.863 10.196 8.632 1.00 0.00 C ATOM 300 OG1 THR A 24 3.786 10.834 9.327 1.00 0.00 O ATOM 301 CG2 THR A 24 6.145 10.334 9.438 1.00 0.00 C ATOM 0 H THR A 24 5.166 12.776 7.954 1.00 0.00 H new ATOM 0 HA THR A 24 5.703 10.192 6.645 1.00 0.00 H new ATOM 0 HB THR A 24 4.641 9.136 8.513 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.688 10.434 10.216 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.005 9.890 10.424 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.957 9.822 8.921 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.394 11.389 9.548 1.00 0.00 H new ATOM 309 N THR A 25 3.117 9.687 6.248 1.00 0.00 N ATOM 310 CA THR A 25 1.819 9.594 5.593 1.00 0.00 C ATOM 311 C THR A 25 1.040 8.379 6.083 1.00 0.00 C ATOM 312 O THR A 25 1.430 7.239 5.832 1.00 0.00 O ATOM 313 CB THR A 25 1.967 9.511 4.062 1.00 0.00 C ATOM 314 OG1 THR A 25 2.171 10.819 3.517 1.00 0.00 O ATOM 315 CG2 THR A 25 0.735 8.880 3.432 1.00 0.00 C ATOM 0 H THR A 25 3.553 8.787 6.450 1.00 0.00 H new ATOM 0 HA THR A 25 1.271 10.501 5.850 1.00 0.00 H new ATOM 0 HB THR A 25 2.831 8.886 3.837 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.266 10.757 2.544 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.863 8.832 2.351 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.600 7.873 3.826 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.143 9.482 3.667 1.00 0.00 H new ATOM 323 N GLU A 26 -0.062 8.630 6.783 1.00 0.00 N ATOM 324 CA GLU A 26 -0.894 7.555 7.309 1.00 0.00 C ATOM 325 C GLU A 26 -1.710 6.904 6.195 1.00 0.00 C ATOM 326 O GLU A 26 -1.920 7.498 5.136 1.00 0.00 O ATOM 327 CB GLU A 26 -1.830 8.089 8.395 1.00 0.00 C ATOM 328 CG GLU A 26 -1.142 8.319 9.731 1.00 0.00 C ATOM 329 CD GLU A 26 -2.114 8.319 10.895 1.00 0.00 C ATOM 330 OE1 GLU A 26 -2.765 7.279 11.125 1.00 0.00 O ATOM 331 OE2 GLU A 26 -2.223 9.360 11.576 1.00 0.00 O ATOM 0 H GLU A 26 -0.399 9.568 6.999 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.237 6.802 7.744 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.269 9.027 8.056 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.650 7.385 8.534 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.393 7.543 9.888 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.613 9.272 9.704 1.00 0.00 H new ATOM 338 N LEU A 27 -2.165 5.681 6.441 1.00 0.00 N ATOM 339 CA LEU A 27 -2.958 4.948 5.459 1.00 0.00 C ATOM 340 C LEU A 27 -4.068 4.154 6.140 1.00 0.00 C ATOM 341 O LEU A 27 -4.015 3.898 7.342 1.00 0.00 O ATOM 342 CB LEU A 27 -2.062 4.006 4.653 1.00 0.00 C ATOM 343 CG LEU A 27 -0.898 4.660 3.909 1.00 0.00 C ATOM 344 CD1 LEU A 27 -0.115 3.620 3.123 1.00 0.00 C ATOM 345 CD2 LEU A 27 -1.405 5.759 2.986 1.00 0.00 C ATOM 0 H LEU A 27 -1.999 5.176 7.311 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.415 5.671 4.784 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.657 3.254 5.330 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.682 3.480 3.927 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.229 5.110 4.643 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.710 4.104 2.600 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.280 2.869 3.807 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.773 3.141 2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.563 6.214 2.465 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.095 5.333 2.258 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.921 6.519 3.574 1.00 0.00 H new ATOM 357 N ALA A 28 -5.073 3.766 5.361 1.00 0.00 N ATOM 358 CA ALA A 28 -6.194 2.997 5.887 1.00 0.00 C ATOM 359 C ALA A 28 -6.995 2.353 4.761 1.00 0.00 C ATOM 360 O ALA A 28 -7.689 3.039 4.010 1.00 0.00 O ATOM 361 CB ALA A 28 -7.092 3.886 6.735 1.00 0.00 C ATOM 0 H ALA A 28 -5.133 3.972 4.364 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.794 2.200 6.514 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.925 3.299 7.121 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.519 4.294 7.567 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.476 4.703 6.124 1.00 0.00 H new ATOM 367 N TRP A 29 -6.895 1.034 4.649 1.00 0.00 N ATOM 368 CA TRP A 29 -7.611 0.298 3.613 1.00 0.00 C ATOM 369 C TRP A 29 -8.356 -0.892 4.206 1.00 0.00 C ATOM 370 O TRP A 29 -8.326 -1.114 5.417 1.00 0.00 O ATOM 371 CB TRP A 29 -6.637 -0.180 2.534 1.00 0.00 C ATOM 372 CG TRP A 29 -5.602 -1.134 3.049 1.00 0.00 C ATOM 373 CD1 TRP A 29 -5.690 -2.497 3.086 1.00 0.00 C ATOM 374 CD2 TRP A 29 -4.325 -0.797 3.601 1.00 0.00 C ATOM 375 NE1 TRP A 29 -4.544 -3.026 3.629 1.00 0.00 N ATOM 376 CE2 TRP A 29 -3.691 -2.005 3.951 1.00 0.00 C ATOM 377 CE3 TRP A 29 -3.655 0.408 3.831 1.00 0.00 C ATOM 378 CZ2 TRP A 29 -2.420 -2.040 4.520 1.00 0.00 C ATOM 379 CZ3 TRP A 29 -2.394 0.371 4.396 1.00 0.00 C ATOM 380 CH2 TRP A 29 -1.787 -0.846 4.735 1.00 0.00 C ATOM 0 H TRP A 29 -6.325 0.452 5.263 1.00 0.00 H new ATOM 0 HA TRP A 29 -8.341 0.971 3.162 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -7.200 -0.662 1.735 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -6.138 0.685 2.096 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.535 -3.073 2.740 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.359 -4.019 3.769 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.114 1.351 3.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.951 -2.977 4.782 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.867 1.296 4.579 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.800 -0.841 5.174 1.00 0.00 H new ATOM 391 N ASP A 30 -9.024 -1.655 3.347 1.00 0.00 N ATOM 392 CA ASP A 30 -9.776 -2.824 3.788 1.00 0.00 C ATOM 393 C ASP A 30 -9.383 -4.058 2.982 1.00 0.00 C ATOM 394 O ASP A 30 -8.790 -3.965 1.907 1.00 0.00 O ATOM 395 CB ASP A 30 -11.278 -2.570 3.654 1.00 0.00 C ATOM 396 CG ASP A 30 -11.885 -2.005 4.924 1.00 0.00 C ATOM 397 OD1 ASP A 30 -12.121 -2.788 5.867 1.00 0.00 O ATOM 398 OD2 ASP A 30 -12.125 -0.780 4.973 1.00 0.00 O ATOM 0 H ASP A 30 -9.060 -1.485 2.342 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.538 -3.005 4.836 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.454 -1.877 2.831 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.780 -3.503 3.399 1.00 0.00 H new ATOM 403 N PRO A 31 -9.719 -5.243 3.513 1.00 0.00 N ATOM 404 CA PRO A 31 -9.410 -6.519 2.860 1.00 0.00 C ATOM 405 C PRO A 31 -10.237 -6.739 1.598 1.00 0.00 C ATOM 406 O PRO A 31 -11.226 -6.051 1.347 1.00 0.00 O ATOM 407 CB PRO A 31 -9.771 -7.558 3.924 1.00 0.00 C ATOM 408 CG PRO A 31 -10.791 -6.888 4.778 1.00 0.00 C ATOM 409 CD PRO A 31 -10.426 -5.429 4.791 1.00 0.00 C ATOM 0 HA PRO A 31 -8.372 -6.568 2.531 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.169 -8.466 3.471 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.897 -7.849 4.506 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.794 -7.036 4.377 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -10.787 -7.300 5.787 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -11.310 -4.794 4.857 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.791 -5.181 5.641 1.00 0.00 H new ATOM 417 N PRO A 32 -9.824 -7.722 0.784 1.00 0.00 N ATOM 418 CA PRO A 32 -10.514 -8.056 -0.466 1.00 0.00 C ATOM 419 C PRO A 32 -11.876 -8.696 -0.223 1.00 0.00 C ATOM 420 O PRO A 32 -12.080 -9.385 0.777 1.00 0.00 O ATOM 421 CB PRO A 32 -9.567 -9.053 -1.138 1.00 0.00 C ATOM 422 CG PRO A 32 -8.800 -9.663 -0.016 1.00 0.00 C ATOM 423 CD PRO A 32 -8.653 -8.583 1.020 1.00 0.00 C ATOM 0 HA PRO A 32 -10.720 -7.170 -1.067 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -10.119 -9.809 -1.697 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.904 -8.554 -1.845 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -9.326 -10.526 0.392 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.825 -10.014 -0.355 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -8.652 -8.993 2.030 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.719 -8.034 0.898 1.00 0.00 H new ATOM 431 N VAL A 33 -12.807 -8.465 -1.144 1.00 0.00 N ATOM 432 CA VAL A 33 -14.150 -9.021 -1.030 1.00 0.00 C ATOM 433 C VAL A 33 -14.115 -10.545 -1.026 1.00 0.00 C ATOM 434 O VAL A 33 -13.526 -11.166 -1.911 1.00 0.00 O ATOM 435 CB VAL A 33 -15.055 -8.542 -2.181 1.00 0.00 C ATOM 436 CG1 VAL A 33 -15.343 -7.054 -2.050 1.00 0.00 C ATOM 437 CG2 VAL A 33 -14.415 -8.853 -3.526 1.00 0.00 C ATOM 0 H VAL A 33 -12.655 -7.897 -1.977 1.00 0.00 H new ATOM 0 HA VAL A 33 -14.560 -8.667 -0.084 1.00 0.00 H new ATOM 0 HB VAL A 33 -16.003 -9.078 -2.122 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -15.984 -6.734 -2.872 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -15.846 -6.863 -1.102 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -14.406 -6.498 -2.082 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -15.068 -8.508 -4.328 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -13.453 -8.345 -3.597 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -14.265 -9.929 -3.618 1.00 0.00 H new ATOM 447 N LEU A 34 -14.751 -11.143 -0.025 1.00 0.00 N ATOM 448 CA LEU A 34 -14.795 -12.596 0.095 1.00 0.00 C ATOM 449 C LEU A 34 -14.926 -13.252 -1.275 1.00 0.00 C ATOM 450 O LEU A 34 -14.391 -14.335 -1.510 1.00 0.00 O ATOM 451 CB LEU A 34 -15.961 -13.019 0.990 1.00 0.00 C ATOM 452 CG LEU A 34 -17.352 -12.947 0.358 1.00 0.00 C ATOM 453 CD1 LEU A 34 -18.352 -13.747 1.178 1.00 0.00 C ATOM 454 CD2 LEU A 34 -17.804 -11.500 0.226 1.00 0.00 C ATOM 0 H LEU A 34 -15.244 -10.644 0.716 1.00 0.00 H new ATOM 0 HA LEU A 34 -13.860 -12.927 0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -15.786 -14.043 1.321 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -15.956 -12.391 1.881 1.00 0.00 H new ATOM 0 HG LEU A 34 -17.300 -13.382 -0.640 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -19.336 -13.684 0.714 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -18.036 -14.789 1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -18.401 -13.341 2.188 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -18.796 -11.468 -0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -17.840 -11.039 1.213 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -17.101 -10.955 -0.404 1.00 0.00 H new ATOM 466 N ALA A 35 -15.641 -12.587 -2.178 1.00 0.00 N ATOM 467 CA ALA A 35 -15.839 -13.103 -3.526 1.00 0.00 C ATOM 468 C ALA A 35 -14.504 -13.379 -4.210 1.00 0.00 C ATOM 469 O ALA A 35 -14.271 -14.476 -4.715 1.00 0.00 O ATOM 470 CB ALA A 35 -16.664 -12.125 -4.350 1.00 0.00 C ATOM 0 H ALA A 35 -16.092 -11.690 -1.999 1.00 0.00 H new ATOM 0 HA ALA A 35 -16.381 -14.046 -3.451 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -16.804 -12.524 -5.355 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -17.636 -11.981 -3.878 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -16.144 -11.169 -4.408 1.00 0.00 H new ATOM 476 N GLU A 36 -13.633 -12.375 -4.223 1.00 0.00 N ATOM 477 CA GLU A 36 -12.322 -12.511 -4.848 1.00 0.00 C ATOM 478 C GLU A 36 -11.262 -12.881 -3.813 1.00 0.00 C ATOM 479 O GLU A 36 -10.546 -12.017 -3.307 1.00 0.00 O ATOM 480 CB GLU A 36 -11.930 -11.210 -5.551 1.00 0.00 C ATOM 481 CG GLU A 36 -12.677 -10.974 -6.854 1.00 0.00 C ATOM 482 CD GLU A 36 -12.083 -11.747 -8.015 1.00 0.00 C ATOM 483 OE1 GLU A 36 -11.412 -12.770 -7.764 1.00 0.00 O ATOM 484 OE2 GLU A 36 -12.289 -11.330 -9.174 1.00 0.00 O ATOM 0 H GLU A 36 -13.811 -11.460 -3.809 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.381 -13.311 -5.586 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -12.116 -10.373 -4.878 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.859 -11.224 -5.753 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -13.721 -11.261 -6.727 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.665 -9.909 -7.087 1.00 0.00 H new ATOM 491 N ARG A 37 -11.170 -14.170 -3.505 1.00 0.00 N ATOM 492 CA ARG A 37 -10.200 -14.655 -2.531 1.00 0.00 C ATOM 493 C ARG A 37 -9.754 -16.075 -2.868 1.00 0.00 C ATOM 494 O ARG A 37 -10.525 -17.025 -2.738 1.00 0.00 O ATOM 495 CB ARG A 37 -10.797 -14.617 -1.123 1.00 0.00 C ATOM 496 CG ARG A 37 -10.643 -13.273 -0.432 1.00 0.00 C ATOM 497 CD ARG A 37 -11.316 -13.267 0.932 1.00 0.00 C ATOM 498 NE ARG A 37 -10.406 -13.690 1.993 1.00 0.00 N ATOM 499 CZ ARG A 37 -10.617 -13.450 3.282 1.00 0.00 C ATOM 500 NH1 ARG A 37 -11.703 -12.794 3.668 1.00 0.00 N ATOM 501 NH2 ARG A 37 -9.743 -13.867 4.189 1.00 0.00 N ATOM 0 H ARG A 37 -11.755 -14.897 -3.916 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.329 -14.001 -2.567 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -11.856 -14.867 -1.180 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -10.320 -15.385 -0.515 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -9.584 -13.041 -0.317 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.075 -12.490 -1.056 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.686 -12.265 1.149 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.182 -13.929 0.912 1.00 0.00 H new ATOM 0 HE ARG A 37 -9.562 -14.198 1.729 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -12.378 -12.473 2.974 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.863 -12.611 4.659 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.907 -14.373 3.897 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.907 -13.682 5.178 1.00 0.00 H new ATOM 515 N ASN A 38 -8.505 -16.210 -3.301 1.00 0.00 N ATOM 516 CA ASN A 38 -7.957 -17.514 -3.658 1.00 0.00 C ATOM 517 C ASN A 38 -7.329 -18.191 -2.443 1.00 0.00 C ATOM 518 O ASN A 38 -6.318 -18.882 -2.558 1.00 0.00 O ATOM 519 CB ASN A 38 -6.915 -17.365 -4.768 1.00 0.00 C ATOM 520 CG ASN A 38 -7.545 -17.268 -6.144 1.00 0.00 C ATOM 521 OD1 ASN A 38 -8.728 -17.561 -6.319 1.00 0.00 O ATOM 522 ND2 ASN A 38 -6.756 -16.855 -7.129 1.00 0.00 N ATOM 0 H ASN A 38 -7.853 -15.433 -3.413 1.00 0.00 H new ATOM 0 HA ASN A 38 -8.775 -18.139 -4.018 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.315 -16.474 -4.582 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.236 -18.217 -4.742 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.125 -16.770 -8.076 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.781 -16.623 -6.938 1.00 0.00 H new ATOM 529 N GLY A 39 -7.938 -17.988 -1.279 1.00 0.00 N ATOM 530 CA GLY A 39 -7.425 -18.585 -0.060 1.00 0.00 C ATOM 531 C GLY A 39 -7.615 -17.690 1.149 1.00 0.00 C ATOM 532 O GLY A 39 -8.742 -17.335 1.496 1.00 0.00 O ATOM 0 H GLY A 39 -8.777 -17.421 -1.158 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.927 -19.537 0.114 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.364 -18.802 -0.184 1.00 0.00 H new ATOM 536 N ARG A 40 -6.511 -17.326 1.793 1.00 0.00 N ATOM 537 CA ARG A 40 -6.562 -16.469 2.972 1.00 0.00 C ATOM 538 C ARG A 40 -5.438 -15.437 2.942 1.00 0.00 C ATOM 539 O ARG A 40 -4.429 -15.624 2.262 1.00 0.00 O ATOM 540 CB ARG A 40 -6.462 -17.311 4.245 1.00 0.00 C ATOM 541 CG ARG A 40 -5.207 -18.167 4.312 1.00 0.00 C ATOM 542 CD ARG A 40 -5.435 -19.538 3.693 1.00 0.00 C ATOM 543 NE ARG A 40 -6.419 -20.318 4.438 1.00 0.00 N ATOM 544 CZ ARG A 40 -6.952 -21.449 3.990 1.00 0.00 C ATOM 545 NH1 ARG A 40 -6.596 -21.930 2.806 1.00 0.00 N ATOM 546 NH2 ARG A 40 -7.842 -22.103 4.726 1.00 0.00 N ATOM 0 H ARG A 40 -5.571 -17.611 1.519 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.516 -15.942 2.967 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.487 -16.650 5.111 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.337 -17.958 4.312 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.393 -17.662 3.792 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.899 -18.282 5.351 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.771 -19.419 2.663 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.491 -20.082 3.660 1.00 0.00 H new ATOM 0 HE ARG A 40 -6.713 -19.976 5.353 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.912 -21.431 2.238 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -7.007 -22.799 2.464 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.118 -21.737 5.637 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.250 -22.971 4.380 1.00 0.00 H new ATOM 560 N ILE A 41 -5.622 -14.349 3.683 1.00 0.00 N ATOM 561 CA ILE A 41 -4.624 -13.288 3.742 1.00 0.00 C ATOM 562 C ILE A 41 -3.774 -13.402 5.003 1.00 0.00 C ATOM 563 O ILE A 41 -4.280 -13.732 6.076 1.00 0.00 O ATOM 564 CB ILE A 41 -5.280 -11.896 3.702 1.00 0.00 C ATOM 565 CG1 ILE A 41 -6.527 -11.920 2.816 1.00 0.00 C ATOM 566 CG2 ILE A 41 -4.287 -10.857 3.202 1.00 0.00 C ATOM 567 CD1 ILE A 41 -6.286 -12.528 1.452 1.00 0.00 C ATOM 0 H ILE A 41 -6.452 -14.179 4.250 1.00 0.00 H new ATOM 0 HA ILE A 41 -3.986 -13.405 2.866 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.582 -11.624 4.713 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.312 -12.482 3.322 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.894 -10.901 2.691 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.765 -9.878 3.179 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.426 -10.825 3.870 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -3.957 -11.123 2.198 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.212 -12.512 0.878 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.524 -11.953 0.927 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.948 -13.558 1.567 1.00 0.00 H new ATOM 579 N ILE A 42 -2.482 -13.126 4.865 1.00 0.00 N ATOM 580 CA ILE A 42 -1.562 -13.195 5.994 1.00 0.00 C ATOM 581 C ILE A 42 -0.982 -11.822 6.315 1.00 0.00 C ATOM 582 O ILE A 42 -0.705 -11.509 7.473 1.00 0.00 O ATOM 583 CB ILE A 42 -0.407 -14.176 5.721 1.00 0.00 C ATOM 584 CG1 ILE A 42 0.216 -13.896 4.352 1.00 0.00 C ATOM 585 CG2 ILE A 42 -0.903 -15.613 5.799 1.00 0.00 C ATOM 586 CD1 ILE A 42 1.386 -14.796 4.025 1.00 0.00 C ATOM 0 H ILE A 42 -2.048 -12.853 3.983 1.00 0.00 H new ATOM 0 HA ILE A 42 -2.137 -13.553 6.848 1.00 0.00 H new ATOM 0 HB ILE A 42 0.359 -14.034 6.484 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.548 -14.013 3.583 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.546 -12.858 4.318 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.075 -16.295 5.604 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.305 -15.806 6.794 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.685 -15.769 5.055 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.777 -14.541 3.040 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.168 -14.662 4.772 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.057 -15.835 4.027 1.00 0.00 H new ATOM 598 N SER A 43 -0.804 -11.005 5.282 1.00 0.00 N ATOM 599 CA SER A 43 -0.255 -9.664 5.454 1.00 0.00 C ATOM 600 C SER A 43 -0.379 -8.858 4.165 1.00 0.00 C ATOM 601 O SER A 43 -0.847 -9.364 3.145 1.00 0.00 O ATOM 602 CB SER A 43 1.212 -9.742 5.881 1.00 0.00 C ATOM 603 OG SER A 43 1.932 -10.653 5.070 1.00 0.00 O ATOM 0 H SER A 43 -1.032 -11.247 4.318 1.00 0.00 H new ATOM 0 HA SER A 43 -0.827 -9.161 6.234 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.666 -8.753 5.814 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.274 -10.052 6.924 1.00 0.00 H new ATOM 0 HG SER A 43 2.867 -10.683 5.362 1.00 0.00 H new ATOM 609 N TYR A 44 0.043 -7.599 4.219 1.00 0.00 N ATOM 610 CA TYR A 44 -0.022 -6.721 3.058 1.00 0.00 C ATOM 611 C TYR A 44 1.294 -5.974 2.865 1.00 0.00 C ATOM 612 O TYR A 44 2.069 -5.802 3.807 1.00 0.00 O ATOM 613 CB TYR A 44 -1.170 -5.722 3.211 1.00 0.00 C ATOM 614 CG TYR A 44 -2.535 -6.371 3.267 1.00 0.00 C ATOM 615 CD1 TYR A 44 -2.918 -7.137 4.361 1.00 0.00 C ATOM 616 CD2 TYR A 44 -3.441 -6.219 2.224 1.00 0.00 C ATOM 617 CE1 TYR A 44 -4.163 -7.733 4.415 1.00 0.00 C ATOM 618 CE2 TYR A 44 -4.689 -6.810 2.271 1.00 0.00 C ATOM 619 CZ TYR A 44 -5.045 -7.566 3.368 1.00 0.00 C ATOM 620 OH TYR A 44 -6.287 -8.157 3.418 1.00 0.00 O ATOM 0 H TYR A 44 0.434 -7.164 5.055 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.201 -7.338 2.178 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.016 -5.141 4.120 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.144 -5.021 2.377 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.230 -7.269 5.183 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.165 -5.629 1.362 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.444 -8.326 5.272 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -5.382 -6.681 1.453 1.00 0.00 H new ATOM 0 HH TYR A 44 -6.577 -8.230 4.351 1.00 0.00 H new ATOM 630 N THR A 45 1.541 -5.530 1.636 1.00 0.00 N ATOM 631 CA THR A 45 2.762 -4.802 1.317 1.00 0.00 C ATOM 632 C THR A 45 2.449 -3.408 0.785 1.00 0.00 C ATOM 633 O THR A 45 1.967 -3.255 -0.337 1.00 0.00 O ATOM 634 CB THR A 45 3.611 -5.557 0.277 1.00 0.00 C ATOM 635 OG1 THR A 45 3.981 -6.843 0.787 1.00 0.00 O ATOM 636 CG2 THR A 45 4.863 -4.767 -0.076 1.00 0.00 C ATOM 0 H THR A 45 0.911 -5.662 0.845 1.00 0.00 H new ATOM 0 HA THR A 45 3.329 -4.715 2.244 1.00 0.00 H new ATOM 0 HB THR A 45 3.013 -5.683 -0.626 1.00 0.00 H new ATOM 0 HG1 THR A 45 4.013 -7.490 0.051 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.447 -5.320 -0.812 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.578 -3.800 -0.491 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.462 -4.614 0.822 1.00 0.00 H new ATOM 644 N VAL A 46 2.725 -2.393 1.598 1.00 0.00 N ATOM 645 CA VAL A 46 2.474 -1.011 1.208 1.00 0.00 C ATOM 646 C VAL A 46 3.655 -0.435 0.435 1.00 0.00 C ATOM 647 O VAL A 46 4.665 -0.047 1.022 1.00 0.00 O ATOM 648 CB VAL A 46 2.196 -0.123 2.436 1.00 0.00 C ATOM 649 CG1 VAL A 46 2.068 1.335 2.022 1.00 0.00 C ATOM 650 CG2 VAL A 46 0.943 -0.593 3.160 1.00 0.00 C ATOM 0 H VAL A 46 3.123 -2.502 2.531 1.00 0.00 H new ATOM 0 HA VAL A 46 1.593 -1.018 0.567 1.00 0.00 H new ATOM 0 HB VAL A 46 3.038 -0.208 3.123 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.872 1.947 2.902 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.995 1.662 1.552 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.245 1.442 1.315 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.761 0.045 4.025 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.090 -0.539 2.484 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.079 -1.623 3.491 1.00 0.00 H new ATOM 660 N VAL A 47 3.521 -0.381 -0.886 1.00 0.00 N ATOM 661 CA VAL A 47 4.576 0.149 -1.741 1.00 0.00 C ATOM 662 C VAL A 47 4.367 1.635 -2.015 1.00 0.00 C ATOM 663 O VAL A 47 3.385 2.029 -2.644 1.00 0.00 O ATOM 664 CB VAL A 47 4.644 -0.604 -3.083 1.00 0.00 C ATOM 665 CG1 VAL A 47 5.704 0.007 -3.986 1.00 0.00 C ATOM 666 CG2 VAL A 47 4.918 -2.082 -2.850 1.00 0.00 C ATOM 0 H VAL A 47 2.691 -0.698 -1.388 1.00 0.00 H new ATOM 0 HA VAL A 47 5.516 0.009 -1.207 1.00 0.00 H new ATOM 0 HB VAL A 47 3.679 -0.510 -3.582 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.737 -0.539 -4.929 1.00 0.00 H new ATOM 0 HG12 VAL A 47 5.459 1.051 -4.179 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.677 -0.053 -3.498 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.963 -2.599 -3.808 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.869 -2.198 -2.330 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.119 -2.509 -2.244 1.00 0.00 H new ATOM 676 N PHE A 48 5.297 2.455 -1.538 1.00 0.00 N ATOM 677 CA PHE A 48 5.215 3.898 -1.731 1.00 0.00 C ATOM 678 C PHE A 48 6.413 4.410 -2.526 1.00 0.00 C ATOM 679 O PHE A 48 7.539 3.949 -2.337 1.00 0.00 O ATOM 680 CB PHE A 48 5.144 4.611 -0.379 1.00 0.00 C ATOM 681 CG PHE A 48 6.298 4.295 0.528 1.00 0.00 C ATOM 682 CD1 PHE A 48 6.374 3.071 1.174 1.00 0.00 C ATOM 683 CD2 PHE A 48 7.309 5.220 0.734 1.00 0.00 C ATOM 684 CE1 PHE A 48 7.435 2.778 2.009 1.00 0.00 C ATOM 685 CE2 PHE A 48 8.373 4.932 1.568 1.00 0.00 C ATOM 686 CZ PHE A 48 8.436 3.709 2.206 1.00 0.00 C ATOM 0 H PHE A 48 6.116 2.145 -1.015 1.00 0.00 H new ATOM 0 HA PHE A 48 4.308 4.113 -2.296 1.00 0.00 H new ATOM 0 HB2 PHE A 48 5.109 5.687 -0.547 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.215 4.335 0.119 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.595 2.338 1.023 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.265 6.178 0.237 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.482 1.821 2.508 1.00 0.00 H new ATOM 0 HE2 PHE A 48 9.154 5.662 1.720 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.266 3.481 2.858 1.00 0.00 H new ATOM 696 N ARG A 49 6.161 5.365 -3.415 1.00 0.00 N ATOM 697 CA ARG A 49 7.218 5.938 -4.240 1.00 0.00 C ATOM 698 C ARG A 49 6.820 7.321 -4.749 1.00 0.00 C ATOM 699 O ARG A 49 5.650 7.576 -5.032 1.00 0.00 O ATOM 700 CB ARG A 49 7.527 5.018 -5.422 1.00 0.00 C ATOM 701 CG ARG A 49 8.441 5.647 -6.461 1.00 0.00 C ATOM 702 CD ARG A 49 8.199 5.061 -7.843 1.00 0.00 C ATOM 703 NE ARG A 49 6.843 5.321 -8.319 1.00 0.00 N ATOM 704 CZ ARG A 49 6.500 5.312 -9.602 1.00 0.00 C ATOM 705 NH1 ARG A 49 7.409 5.056 -10.533 1.00 0.00 N ATOM 706 NH2 ARG A 49 5.245 5.558 -9.956 1.00 0.00 N ATOM 0 H ARG A 49 5.235 5.758 -3.582 1.00 0.00 H new ATOM 0 HA ARG A 49 8.111 6.039 -3.624 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.990 4.104 -5.049 1.00 0.00 H new ATOM 0 HB3 ARG A 49 6.591 4.729 -5.901 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.277 6.724 -6.487 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.481 5.490 -6.175 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.917 5.483 -8.546 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.374 3.985 -7.816 1.00 0.00 H new ATOM 0 HE ARG A 49 6.120 5.520 -7.628 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.374 4.865 -10.264 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.143 5.050 -11.518 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.543 5.754 -9.243 1.00 0.00 H new ATOM 0 HH22 ARG A 49 4.982 5.551 -10.942 1.00 0.00 H new ATOM 720 N ASP A 50 7.802 8.208 -4.861 1.00 0.00 N ATOM 721 CA ASP A 50 7.556 9.565 -5.336 1.00 0.00 C ATOM 722 C ASP A 50 7.422 9.593 -6.856 1.00 0.00 C ATOM 723 O ASP A 50 8.403 9.412 -7.578 1.00 0.00 O ATOM 724 CB ASP A 50 8.685 10.497 -4.894 1.00 0.00 C ATOM 725 CG ASP A 50 8.495 11.005 -3.478 1.00 0.00 C ATOM 726 OD1 ASP A 50 7.372 11.443 -3.151 1.00 0.00 O ATOM 727 OD2 ASP A 50 9.469 10.965 -2.697 1.00 0.00 O ATOM 0 H ASP A 50 8.776 8.012 -4.629 1.00 0.00 H new ATOM 0 HA ASP A 50 6.619 9.911 -4.900 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.636 9.969 -4.963 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.741 11.345 -5.577 1.00 0.00 H new ATOM 732 N ILE A 51 6.204 9.820 -7.334 1.00 0.00 N ATOM 733 CA ILE A 51 5.943 9.871 -8.767 1.00 0.00 C ATOM 734 C ILE A 51 6.856 10.880 -9.456 1.00 0.00 C ATOM 735 O ILE A 51 6.984 10.882 -10.679 1.00 0.00 O ATOM 736 CB ILE A 51 4.477 10.240 -9.060 1.00 0.00 C ATOM 737 CG1 ILE A 51 4.144 11.611 -8.467 1.00 0.00 C ATOM 738 CG2 ILE A 51 3.542 9.176 -8.503 1.00 0.00 C ATOM 739 CD1 ILE A 51 2.889 12.229 -9.041 1.00 0.00 C ATOM 0 H ILE A 51 5.382 9.972 -6.750 1.00 0.00 H new ATOM 0 HA ILE A 51 6.144 8.874 -9.160 1.00 0.00 H new ATOM 0 HB ILE A 51 4.339 10.289 -10.140 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.030 11.513 -7.387 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.983 12.286 -8.639 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.509 9.451 -8.718 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.766 8.216 -8.967 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.680 9.099 -7.425 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.715 13.199 -8.575 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.007 12.359 -10.117 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.039 11.575 -8.846 1.00 0.00 H new ATOM 751 N ASN A 52 7.491 11.735 -8.660 1.00 0.00 N ATOM 752 CA ASN A 52 8.394 12.749 -9.194 1.00 0.00 C ATOM 753 C ASN A 52 9.837 12.255 -9.176 1.00 0.00 C ATOM 754 O ASN A 52 10.679 12.737 -9.933 1.00 0.00 O ATOM 755 CB ASN A 52 8.276 14.043 -8.386 1.00 0.00 C ATOM 756 CG ASN A 52 6.838 14.501 -8.235 1.00 0.00 C ATOM 757 OD1 ASN A 52 6.322 15.247 -9.067 1.00 0.00 O ATOM 758 ND2 ASN A 52 6.184 14.055 -7.169 1.00 0.00 N ATOM 0 H ASN A 52 7.397 11.746 -7.644 1.00 0.00 H new ATOM 0 HA ASN A 52 8.109 12.947 -10.227 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.712 13.893 -7.398 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.855 14.827 -8.874 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.214 14.329 -7.014 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.652 13.438 -6.505 1.00 0.00 H new ATOM 765 N SER A 53 10.116 11.289 -8.306 1.00 0.00 N ATOM 766 CA SER A 53 11.458 10.731 -8.186 1.00 0.00 C ATOM 767 C SER A 53 11.491 9.287 -8.676 1.00 0.00 C ATOM 768 O SER A 53 10.461 8.719 -9.038 1.00 0.00 O ATOM 769 CB SER A 53 11.934 10.800 -6.734 1.00 0.00 C ATOM 770 OG SER A 53 12.617 12.016 -6.479 1.00 0.00 O ATOM 0 H SER A 53 9.430 10.877 -7.674 1.00 0.00 H new ATOM 0 HA SER A 53 12.128 11.323 -8.809 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.079 10.711 -6.063 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.593 9.958 -6.523 1.00 0.00 H new ATOM 0 HG SER A 53 12.910 12.037 -5.544 1.00 0.00 H new ATOM 776 N GLN A 54 12.683 8.699 -8.684 1.00 0.00 N ATOM 777 CA GLN A 54 12.852 7.321 -9.130 1.00 0.00 C ATOM 778 C GLN A 54 13.235 6.415 -7.965 1.00 0.00 C ATOM 779 O GLN A 54 13.903 5.398 -8.152 1.00 0.00 O ATOM 780 CB GLN A 54 13.918 7.243 -10.224 1.00 0.00 C ATOM 781 CG GLN A 54 13.470 7.830 -11.553 1.00 0.00 C ATOM 782 CD GLN A 54 12.739 6.823 -12.419 1.00 0.00 C ATOM 783 OE1 GLN A 54 11.545 6.582 -12.239 1.00 0.00 O ATOM 784 NE2 GLN A 54 13.454 6.227 -13.367 1.00 0.00 N ATOM 0 H GLN A 54 13.546 9.155 -8.387 1.00 0.00 H new ATOM 0 HA GLN A 54 11.900 6.978 -9.536 1.00 0.00 H new ATOM 0 HB2 GLN A 54 14.812 7.768 -9.887 1.00 0.00 H new ATOM 0 HB3 GLN A 54 14.198 6.200 -10.373 1.00 0.00 H new ATOM 0 HG2 GLN A 54 12.819 8.684 -11.367 1.00 0.00 H new ATOM 0 HG3 GLN A 54 14.340 8.204 -12.093 1.00 0.00 H new ATOM 0 HE21 GLN A 54 14.441 6.457 -13.481 1.00 0.00 H new ATOM 0 HE22 GLN A 54 13.016 5.540 -13.980 1.00 0.00 H new ATOM 793 N GLN A 55 12.808 6.791 -6.764 1.00 0.00 N ATOM 794 CA GLN A 55 13.109 6.012 -5.569 1.00 0.00 C ATOM 795 C GLN A 55 11.899 5.189 -5.136 1.00 0.00 C ATOM 796 O GLN A 55 10.951 5.720 -4.560 1.00 0.00 O ATOM 797 CB GLN A 55 13.546 6.934 -4.429 1.00 0.00 C ATOM 798 CG GLN A 55 13.709 6.221 -3.097 1.00 0.00 C ATOM 799 CD GLN A 55 14.825 5.195 -3.117 1.00 0.00 C ATOM 800 OE1 GLN A 55 15.939 5.463 -2.666 1.00 0.00 O ATOM 801 NE2 GLN A 55 14.532 4.011 -3.642 1.00 0.00 N ATOM 0 H GLN A 55 12.253 7.630 -6.593 1.00 0.00 H new ATOM 0 HA GLN A 55 13.924 5.329 -5.808 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.491 7.406 -4.697 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.812 7.732 -4.317 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.910 6.956 -2.318 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.772 5.728 -2.836 1.00 0.00 H new ATOM 0 HE21 GLN A 55 13.596 3.831 -4.004 1.00 0.00 H new ATOM 0 HE22 GLN A 55 15.243 3.281 -3.683 1.00 0.00 H new ATOM 810 N GLU A 56 11.940 3.891 -5.420 1.00 0.00 N ATOM 811 CA GLU A 56 10.846 2.996 -5.062 1.00 0.00 C ATOM 812 C GLU A 56 11.068 2.393 -3.678 1.00 0.00 C ATOM 813 O GLU A 56 12.192 2.047 -3.312 1.00 0.00 O ATOM 814 CB GLU A 56 10.708 1.882 -6.100 1.00 0.00 C ATOM 815 CG GLU A 56 9.343 1.214 -6.099 1.00 0.00 C ATOM 816 CD GLU A 56 9.057 0.470 -7.389 1.00 0.00 C ATOM 817 OE1 GLU A 56 10.018 -0.020 -8.018 1.00 0.00 O ATOM 818 OE2 GLU A 56 7.870 0.376 -7.769 1.00 0.00 O ATOM 0 H GLU A 56 12.719 3.436 -5.897 1.00 0.00 H new ATOM 0 HA GLU A 56 9.925 3.579 -5.042 1.00 0.00 H new ATOM 0 HB2 GLU A 56 10.901 2.294 -7.091 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.472 1.127 -5.915 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.284 0.518 -5.262 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.573 1.969 -5.941 1.00 0.00 H new ATOM 825 N LEU A 57 9.989 2.270 -2.912 1.00 0.00 N ATOM 826 CA LEU A 57 10.065 1.709 -1.568 1.00 0.00 C ATOM 827 C LEU A 57 8.751 1.035 -1.185 1.00 0.00 C ATOM 828 O LEU A 57 7.739 1.197 -1.865 1.00 0.00 O ATOM 829 CB LEU A 57 10.404 2.804 -0.555 1.00 0.00 C ATOM 830 CG LEU A 57 11.583 3.709 -0.915 1.00 0.00 C ATOM 831 CD1 LEU A 57 11.529 5.000 -0.113 1.00 0.00 C ATOM 832 CD2 LEU A 57 12.901 2.987 -0.678 1.00 0.00 C ATOM 0 H LEU A 57 9.052 2.551 -3.199 1.00 0.00 H new ATOM 0 HA LEU A 57 10.854 0.957 -1.558 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.522 3.429 -0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.614 2.331 0.404 1.00 0.00 H new ATOM 0 HG LEU A 57 11.514 3.960 -1.974 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.376 5.631 -0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.600 5.526 -0.332 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.573 4.769 0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 57 13.729 3.646 -0.939 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.978 2.706 0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 57 12.941 2.091 -1.297 1.00 0.00 H new ATOM 844 N GLN A 58 8.776 0.281 -0.091 1.00 0.00 N ATOM 845 CA GLN A 58 7.587 -0.416 0.384 1.00 0.00 C ATOM 846 C GLN A 58 7.752 -0.849 1.837 1.00 0.00 C ATOM 847 O GLN A 58 8.854 -0.814 2.383 1.00 0.00 O ATOM 848 CB GLN A 58 7.300 -1.635 -0.495 1.00 0.00 C ATOM 849 CG GLN A 58 8.315 -2.755 -0.331 1.00 0.00 C ATOM 850 CD GLN A 58 8.307 -3.725 -1.497 1.00 0.00 C ATOM 851 OE1 GLN A 58 7.838 -3.399 -2.587 1.00 0.00 O ATOM 852 NE2 GLN A 58 8.829 -4.925 -1.272 1.00 0.00 N ATOM 0 H GLN A 58 9.607 0.137 0.483 1.00 0.00 H new ATOM 0 HA GLN A 58 6.745 0.273 0.324 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.307 -2.018 -0.258 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.281 -1.323 -1.539 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.311 -2.325 -0.228 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.105 -3.298 0.590 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.207 -5.152 -0.352 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.852 -5.619 -2.019 1.00 0.00 H new ATOM 861 N ASN A 59 6.650 -1.257 2.457 1.00 0.00 N ATOM 862 CA ASN A 59 6.673 -1.696 3.847 1.00 0.00 C ATOM 863 C ASN A 59 5.784 -2.920 4.046 1.00 0.00 C ATOM 864 O ASN A 59 5.024 -3.299 3.155 1.00 0.00 O ATOM 865 CB ASN A 59 6.215 -0.564 4.769 1.00 0.00 C ATOM 866 CG ASN A 59 7.311 0.453 5.025 1.00 0.00 C ATOM 867 OD1 ASN A 59 7.096 1.658 4.899 1.00 0.00 O ATOM 868 ND2 ASN A 59 8.494 -0.031 5.386 1.00 0.00 N ATOM 0 H ASN A 59 5.730 -1.293 2.019 1.00 0.00 H new ATOM 0 HA ASN A 59 7.698 -1.969 4.099 1.00 0.00 H new ATOM 0 HB2 ASN A 59 5.355 -0.063 4.325 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.884 -0.984 5.719 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.270 0.604 5.571 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.626 -1.038 5.478 1.00 0.00 H new ATOM 875 N ILE A 60 5.885 -3.533 5.221 1.00 0.00 N ATOM 876 CA ILE A 60 5.089 -4.713 5.537 1.00 0.00 C ATOM 877 C ILE A 60 4.447 -4.589 6.915 1.00 0.00 C ATOM 878 O ILE A 60 5.105 -4.219 7.888 1.00 0.00 O ATOM 879 CB ILE A 60 5.941 -5.995 5.493 1.00 0.00 C ATOM 880 CG1 ILE A 60 6.687 -6.092 4.161 1.00 0.00 C ATOM 881 CG2 ILE A 60 5.065 -7.220 5.706 1.00 0.00 C ATOM 882 CD1 ILE A 60 7.624 -7.277 4.077 1.00 0.00 C ATOM 0 H ILE A 60 6.510 -3.232 5.969 1.00 0.00 H new ATOM 0 HA ILE A 60 4.308 -4.780 4.779 1.00 0.00 H new ATOM 0 HB ILE A 60 6.676 -5.953 6.297 1.00 0.00 H new ATOM 0 HG12 ILE A 60 5.960 -6.156 3.351 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.258 -5.176 4.006 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.681 -8.118 5.672 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.575 -7.152 6.677 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.310 -7.268 4.921 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.118 -7.282 3.106 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.373 -7.205 4.865 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.056 -8.199 4.200 1.00 0.00 H new ATOM 894 N THR A 61 3.158 -4.904 6.991 1.00 0.00 N ATOM 895 CA THR A 61 2.426 -4.829 8.249 1.00 0.00 C ATOM 896 C THR A 61 1.305 -5.861 8.296 1.00 0.00 C ATOM 897 O THR A 61 0.653 -6.131 7.287 1.00 0.00 O ATOM 898 CB THR A 61 1.827 -3.427 8.468 1.00 0.00 C ATOM 899 OG1 THR A 61 1.125 -3.384 9.715 1.00 0.00 O ATOM 900 CG2 THR A 61 0.880 -3.060 7.335 1.00 0.00 C ATOM 0 H THR A 61 2.599 -5.214 6.196 1.00 0.00 H new ATOM 0 HA THR A 61 3.142 -5.038 9.044 1.00 0.00 H new ATOM 0 HB THR A 61 2.644 -2.706 8.486 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.749 -2.489 9.848 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.469 -2.066 7.512 1.00 0.00 H new ATOM 0 HG22 THR A 61 1.424 -3.066 6.390 1.00 0.00 H new ATOM 0 HG23 THR A 61 0.068 -3.785 7.290 1.00 0.00 H new ATOM 908 N THR A 62 1.086 -6.437 9.474 1.00 0.00 N ATOM 909 CA THR A 62 0.044 -7.441 9.652 1.00 0.00 C ATOM 910 C THR A 62 -1.321 -6.788 9.844 1.00 0.00 C ATOM 911 O THR A 62 -2.265 -7.428 10.306 1.00 0.00 O ATOM 912 CB THR A 62 0.340 -8.350 10.859 1.00 0.00 C ATOM 913 OG1 THR A 62 0.741 -7.558 11.982 1.00 0.00 O ATOM 914 CG2 THR A 62 1.433 -9.355 10.524 1.00 0.00 C ATOM 0 H THR A 62 1.616 -6.225 10.319 1.00 0.00 H new ATOM 0 HA THR A 62 0.030 -8.047 8.746 1.00 0.00 H new ATOM 0 HB THR A 62 -0.570 -8.896 11.107 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.926 -8.143 12.746 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.625 -9.986 11.392 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.112 -9.976 9.687 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.345 -8.824 10.253 1.00 0.00 H new ATOM 922 N ASP A 63 -1.417 -5.513 9.487 1.00 0.00 N ATOM 923 CA ASP A 63 -2.667 -4.774 9.619 1.00 0.00 C ATOM 924 C ASP A 63 -3.105 -4.202 8.274 1.00 0.00 C ATOM 925 O ASP A 63 -2.303 -4.081 7.347 1.00 0.00 O ATOM 926 CB ASP A 63 -2.513 -3.647 10.641 1.00 0.00 C ATOM 927 CG ASP A 63 -2.791 -4.108 12.058 1.00 0.00 C ATOM 928 OD1 ASP A 63 -3.972 -4.097 12.465 1.00 0.00 O ATOM 929 OD2 ASP A 63 -1.828 -4.481 12.759 1.00 0.00 O ATOM 0 H ASP A 63 -0.644 -4.969 9.104 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.434 -5.466 9.966 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.501 -3.245 10.585 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.193 -2.834 10.386 1.00 0.00 H new ATOM 934 N THR A 64 -4.383 -3.851 8.173 1.00 0.00 N ATOM 935 CA THR A 64 -4.928 -3.294 6.942 1.00 0.00 C ATOM 936 C THR A 64 -4.614 -1.808 6.824 1.00 0.00 C ATOM 937 O THR A 64 -5.223 -1.096 6.025 1.00 0.00 O ATOM 938 CB THR A 64 -6.454 -3.492 6.862 1.00 0.00 C ATOM 939 OG1 THR A 64 -7.016 -3.502 8.179 1.00 0.00 O ATOM 940 CG2 THR A 64 -6.795 -4.793 6.151 1.00 0.00 C ATOM 0 H THR A 64 -5.060 -3.943 8.930 1.00 0.00 H new ATOM 0 HA THR A 64 -4.456 -3.829 6.118 1.00 0.00 H new ATOM 0 HB THR A 64 -6.876 -2.664 6.293 1.00 0.00 H new ATOM 0 HG1 THR A 64 -7.986 -3.627 8.120 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.878 -4.911 6.107 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.391 -4.771 5.139 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.361 -5.631 6.697 1.00 0.00 H new ATOM 948 N ARG A 65 -3.659 -1.345 7.624 1.00 0.00 N ATOM 949 CA ARG A 65 -3.264 0.059 7.610 1.00 0.00 C ATOM 950 C ARG A 65 -1.751 0.199 7.746 1.00 0.00 C ATOM 951 O ARG A 65 -1.055 -0.762 8.075 1.00 0.00 O ATOM 952 CB ARG A 65 -3.961 0.818 8.740 1.00 0.00 C ATOM 953 CG ARG A 65 -3.592 0.318 10.128 1.00 0.00 C ATOM 954 CD ARG A 65 -2.382 1.054 10.681 1.00 0.00 C ATOM 955 NE ARG A 65 -2.318 0.983 12.139 1.00 0.00 N ATOM 956 CZ ARG A 65 -1.886 -0.082 12.805 1.00 0.00 C ATOM 957 NH1 ARG A 65 -1.482 -1.160 12.148 1.00 0.00 N ATOM 958 NH2 ARG A 65 -1.858 -0.069 14.132 1.00 0.00 N ATOM 0 H ARG A 65 -3.144 -1.921 8.290 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.567 0.486 6.654 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.709 1.876 8.665 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.040 0.737 8.609 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.439 0.451 10.801 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.382 -0.751 10.087 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.473 0.627 10.257 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.419 2.098 10.370 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.622 1.796 12.675 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -1.502 -1.173 11.128 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -1.151 -1.976 12.662 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -2.168 0.759 14.641 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -1.526 -0.887 14.643 1.00 0.00 H new ATOM 972 N PHE A 66 -1.248 1.402 7.490 1.00 0.00 N ATOM 973 CA PHE A 66 0.183 1.668 7.582 1.00 0.00 C ATOM 974 C PHE A 66 0.463 3.166 7.514 1.00 0.00 C ATOM 975 O PHE A 66 -0.348 3.940 7.004 1.00 0.00 O ATOM 976 CB PHE A 66 0.931 0.947 6.458 1.00 0.00 C ATOM 977 CG PHE A 66 2.421 0.927 6.646 1.00 0.00 C ATOM 978 CD1 PHE A 66 3.023 -0.054 7.417 1.00 0.00 C ATOM 979 CD2 PHE A 66 3.220 1.891 6.051 1.00 0.00 C ATOM 980 CE1 PHE A 66 4.394 -0.075 7.592 1.00 0.00 C ATOM 981 CE2 PHE A 66 4.591 1.875 6.222 1.00 0.00 C ATOM 982 CZ PHE A 66 5.179 0.892 6.994 1.00 0.00 C ATOM 0 H PHE A 66 -1.810 2.208 7.217 1.00 0.00 H new ATOM 0 HA PHE A 66 0.536 1.293 8.543 1.00 0.00 H new ATOM 0 HB2 PHE A 66 0.568 -0.078 6.390 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.699 1.431 5.509 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.414 -0.812 7.887 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.766 2.663 5.447 1.00 0.00 H new ATOM 0 HE1 PHE A 66 4.851 -0.846 8.195 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.203 2.631 5.752 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.250 0.879 7.130 1.00 0.00 H new ATOM 992 N THR A 67 1.619 3.570 8.033 1.00 0.00 N ATOM 993 CA THR A 67 2.007 4.975 8.034 1.00 0.00 C ATOM 994 C THR A 67 3.425 5.154 7.506 1.00 0.00 C ATOM 995 O THR A 67 4.399 4.869 8.204 1.00 0.00 O ATOM 996 CB THR A 67 1.917 5.582 9.447 1.00 0.00 C ATOM 997 OG1 THR A 67 0.572 5.498 9.931 1.00 0.00 O ATOM 998 CG2 THR A 67 2.370 7.034 9.442 1.00 0.00 C ATOM 0 H THR A 67 2.303 2.944 8.458 1.00 0.00 H new ATOM 0 HA THR A 67 1.309 5.496 7.378 1.00 0.00 H new ATOM 0 HB THR A 67 2.576 5.015 10.105 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.551 5.734 10.882 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.298 7.441 10.450 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.404 7.091 9.101 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.734 7.611 8.771 1.00 0.00 H new ATOM 1006 N LEU A 68 3.536 5.629 6.270 1.00 0.00 N ATOM 1007 CA LEU A 68 4.837 5.847 5.648 1.00 0.00 C ATOM 1008 C LEU A 68 5.705 6.762 6.506 1.00 0.00 C ATOM 1009 O LEU A 68 5.262 7.267 7.539 1.00 0.00 O ATOM 1010 CB LEU A 68 4.663 6.451 4.254 1.00 0.00 C ATOM 1011 CG LEU A 68 4.091 5.519 3.185 1.00 0.00 C ATOM 1012 CD1 LEU A 68 4.471 4.076 3.476 1.00 0.00 C ATOM 1013 CD2 LEU A 68 2.579 5.668 3.102 1.00 0.00 C ATOM 0 H LEU A 68 2.740 5.870 5.679 1.00 0.00 H new ATOM 0 HA LEU A 68 5.336 4.882 5.560 1.00 0.00 H new ATOM 0 HB2 LEU A 68 4.011 7.321 4.336 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.633 6.811 3.912 1.00 0.00 H new ATOM 0 HG LEU A 68 4.517 5.798 2.221 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.055 3.428 2.705 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.557 3.980 3.484 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.074 3.784 4.448 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.189 4.998 2.336 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.135 5.416 4.065 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.328 6.697 2.845 1.00 0.00 H new ATOM 1025 N THR A 69 6.943 6.975 6.072 1.00 0.00 N ATOM 1026 CA THR A 69 7.872 7.830 6.799 1.00 0.00 C ATOM 1027 C THR A 69 9.017 8.287 5.902 1.00 0.00 C ATOM 1028 O THR A 69 9.207 7.761 4.806 1.00 0.00 O ATOM 1029 CB THR A 69 8.456 7.107 8.028 1.00 0.00 C ATOM 1030 OG1 THR A 69 9.242 5.986 7.610 1.00 0.00 O ATOM 1031 CG2 THR A 69 7.347 6.638 8.957 1.00 0.00 C ATOM 0 H THR A 69 7.326 6.566 5.219 1.00 0.00 H new ATOM 0 HA THR A 69 7.306 8.700 7.132 1.00 0.00 H new ATOM 0 HB THR A 69 9.088 7.811 8.569 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.611 5.533 8.397 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.783 6.130 9.817 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.770 7.498 9.297 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.692 5.949 8.423 1.00 0.00 H new ATOM 1039 N GLY A 70 9.777 9.270 6.374 1.00 0.00 N ATOM 1040 CA GLY A 70 10.894 9.781 5.601 1.00 0.00 C ATOM 1041 C GLY A 70 10.475 10.267 4.228 1.00 0.00 C ATOM 1042 O GLY A 70 11.152 10.003 3.234 1.00 0.00 O ATOM 0 H GLY A 70 9.639 9.722 7.278 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.364 10.600 6.145 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.645 8.998 5.492 1.00 0.00 H new ATOM 1046 N LEU A 71 9.354 10.978 4.171 1.00 0.00 N ATOM 1047 CA LEU A 71 8.844 11.502 2.909 1.00 0.00 C ATOM 1048 C LEU A 71 9.020 13.015 2.835 1.00 0.00 C ATOM 1049 O LEU A 71 9.188 13.682 3.857 1.00 0.00 O ATOM 1050 CB LEU A 71 7.366 11.140 2.744 1.00 0.00 C ATOM 1051 CG LEU A 71 6.965 9.735 3.194 1.00 0.00 C ATOM 1052 CD1 LEU A 71 5.456 9.636 3.353 1.00 0.00 C ATOM 1053 CD2 LEU A 71 7.469 8.694 2.205 1.00 0.00 C ATOM 0 H LEU A 71 8.781 11.205 4.984 1.00 0.00 H new ATOM 0 HA LEU A 71 9.416 11.049 2.099 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.771 11.862 3.303 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.100 11.253 1.693 1.00 0.00 H new ATOM 0 HG LEU A 71 7.425 9.539 4.163 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.189 8.629 3.674 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.121 10.356 4.100 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.975 9.852 2.399 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.174 7.700 2.541 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.038 8.887 1.222 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.556 8.748 2.142 1.00 0.00 H new ATOM 1065 N LYS A 72 8.978 13.552 1.621 1.00 0.00 N ATOM 1066 CA LYS A 72 9.130 14.987 1.413 1.00 0.00 C ATOM 1067 C LYS A 72 7.771 15.681 1.396 1.00 0.00 C ATOM 1068 O LYS A 72 6.806 15.194 0.807 1.00 0.00 O ATOM 1069 CB LYS A 72 9.869 15.258 0.101 1.00 0.00 C ATOM 1070 CG LYS A 72 10.497 16.639 0.030 1.00 0.00 C ATOM 1071 CD LYS A 72 11.351 16.801 -1.216 1.00 0.00 C ATOM 1072 CE LYS A 72 10.507 17.175 -2.425 1.00 0.00 C ATOM 1073 NZ LYS A 72 10.002 15.972 -3.143 1.00 0.00 N ATOM 0 H LYS A 72 8.840 13.015 0.765 1.00 0.00 H new ATOM 0 HA LYS A 72 9.714 15.389 2.241 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.648 14.507 -0.029 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.172 15.142 -0.729 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.713 17.397 0.036 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.109 16.807 0.916 1.00 0.00 H new ATOM 0 HD2 LYS A 72 12.104 17.570 -1.045 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.884 15.872 -1.416 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.664 17.787 -2.104 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.100 17.783 -3.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 10.395 15.952 -4.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.294 15.115 -2.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.964 16.008 -3.193 1.00 0.00 H new ATOM 1087 N PRO A 73 7.692 16.846 2.057 1.00 0.00 N ATOM 1088 CA PRO A 73 6.457 17.632 2.131 1.00 0.00 C ATOM 1089 C PRO A 73 6.086 18.255 0.790 1.00 0.00 C ATOM 1090 O PRO A 73 6.955 18.696 0.038 1.00 0.00 O ATOM 1091 CB PRO A 73 6.790 18.721 3.153 1.00 0.00 C ATOM 1092 CG PRO A 73 8.273 18.858 3.091 1.00 0.00 C ATOM 1093 CD PRO A 73 8.803 17.485 2.783 1.00 0.00 C ATOM 0 HA PRO A 73 5.599 17.019 2.406 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.295 19.660 2.906 1.00 0.00 H new ATOM 0 HB3 PRO A 73 6.460 18.440 4.153 1.00 0.00 H new ATOM 0 HG2 PRO A 73 8.567 19.572 2.321 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.671 19.227 4.036 1.00 0.00 H new ATOM 0 HD2 PRO A 73 9.707 17.530 2.176 1.00 0.00 H new ATOM 0 HD3 PRO A 73 9.056 16.939 3.692 1.00 0.00 H new ATOM 1101 N ASP A 74 4.790 18.289 0.497 1.00 0.00 N ATOM 1102 CA ASP A 74 4.304 18.860 -0.754 1.00 0.00 C ATOM 1103 C ASP A 74 4.851 18.090 -1.952 1.00 0.00 C ATOM 1104 O ASP A 74 5.353 18.683 -2.908 1.00 0.00 O ATOM 1105 CB ASP A 74 4.700 20.334 -0.854 1.00 0.00 C ATOM 1106 CG ASP A 74 4.281 20.957 -2.171 1.00 0.00 C ATOM 1107 OD1 ASP A 74 3.084 20.867 -2.517 1.00 0.00 O ATOM 1108 OD2 ASP A 74 5.150 21.536 -2.856 1.00 0.00 O ATOM 0 H ASP A 74 4.058 17.928 1.109 1.00 0.00 H new ATOM 0 HA ASP A 74 3.217 18.783 -0.762 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.244 20.886 -0.032 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.780 20.426 -0.739 1.00 0.00 H new ATOM 1113 N THR A 75 4.753 16.766 -1.894 1.00 0.00 N ATOM 1114 CA THR A 75 5.240 15.915 -2.972 1.00 0.00 C ATOM 1115 C THR A 75 4.381 14.664 -3.116 1.00 0.00 C ATOM 1116 O THR A 75 4.215 13.899 -2.165 1.00 0.00 O ATOM 1117 CB THR A 75 6.704 15.495 -2.739 1.00 0.00 C ATOM 1118 OG1 THR A 75 7.563 16.636 -2.842 1.00 0.00 O ATOM 1119 CG2 THR A 75 7.131 14.439 -3.747 1.00 0.00 C ATOM 0 H THR A 75 4.340 16.259 -1.111 1.00 0.00 H new ATOM 0 HA THR A 75 5.180 16.501 -3.889 1.00 0.00 H new ATOM 0 HB THR A 75 6.783 15.071 -1.738 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.533 17.145 -2.005 1.00 0.00 H new ATOM 0 HG21 THR A 75 8.168 14.158 -3.563 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.494 13.561 -3.646 1.00 0.00 H new ATOM 0 HG23 THR A 75 7.038 14.840 -4.756 1.00 0.00 H new ATOM 1127 N THR A 76 3.836 14.460 -4.311 1.00 0.00 N ATOM 1128 CA THR A 76 2.994 13.301 -4.580 1.00 0.00 C ATOM 1129 C THR A 76 3.746 12.002 -4.317 1.00 0.00 C ATOM 1130 O THR A 76 4.868 11.816 -4.790 1.00 0.00 O ATOM 1131 CB THR A 76 2.485 13.301 -6.034 1.00 0.00 C ATOM 1132 OG1 THR A 76 1.747 14.500 -6.294 1.00 0.00 O ATOM 1133 CG2 THR A 76 1.604 12.090 -6.299 1.00 0.00 C ATOM 0 H THR A 76 3.963 15.083 -5.109 1.00 0.00 H new ATOM 0 HA THR A 76 2.141 13.367 -3.904 1.00 0.00 H new ATOM 0 HB THR A 76 3.348 13.255 -6.698 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.428 14.493 -7.221 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.257 12.112 -7.332 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.177 11.179 -6.128 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.746 12.110 -5.627 1.00 0.00 H new ATOM 1141 N TYR A 77 3.122 11.105 -3.561 1.00 0.00 N ATOM 1142 CA TYR A 77 3.734 9.823 -3.233 1.00 0.00 C ATOM 1143 C TYR A 77 2.836 8.666 -3.659 1.00 0.00 C ATOM 1144 O TYR A 77 1.839 8.364 -3.002 1.00 0.00 O ATOM 1145 CB TYR A 77 4.017 9.738 -1.733 1.00 0.00 C ATOM 1146 CG TYR A 77 5.391 10.239 -1.346 1.00 0.00 C ATOM 1147 CD1 TYR A 77 6.501 9.407 -1.420 1.00 0.00 C ATOM 1148 CD2 TYR A 77 5.578 11.543 -0.906 1.00 0.00 C ATOM 1149 CE1 TYR A 77 7.758 9.860 -1.067 1.00 0.00 C ATOM 1150 CE2 TYR A 77 6.830 12.005 -0.553 1.00 0.00 C ATOM 1151 CZ TYR A 77 7.917 11.160 -0.635 1.00 0.00 C ATOM 1152 OH TYR A 77 9.167 11.616 -0.282 1.00 0.00 O ATOM 0 H TYR A 77 2.193 11.242 -3.164 1.00 0.00 H new ATOM 0 HA TYR A 77 4.675 9.749 -3.778 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.264 10.316 -1.197 1.00 0.00 H new ATOM 0 HB3 TYR A 77 3.913 8.702 -1.410 1.00 0.00 H new ATOM 0 HD1 TYR A 77 6.380 8.389 -1.759 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.729 12.207 -0.839 1.00 0.00 H new ATOM 0 HE1 TYR A 77 8.611 9.200 -1.129 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.958 13.023 -0.214 1.00 0.00 H new ATOM 0 HH TYR A 77 9.809 11.389 -0.987 1.00 0.00 H new ATOM 1162 N ASP A 78 3.196 8.022 -4.764 1.00 0.00 N ATOM 1163 CA ASP A 78 2.424 6.896 -5.278 1.00 0.00 C ATOM 1164 C ASP A 78 2.455 5.725 -4.302 1.00 0.00 C ATOM 1165 O ASP A 78 3.363 4.895 -4.341 1.00 0.00 O ATOM 1166 CB ASP A 78 2.969 6.457 -6.639 1.00 0.00 C ATOM 1167 CG ASP A 78 2.351 5.158 -7.117 1.00 0.00 C ATOM 1168 OD1 ASP A 78 2.585 4.115 -6.470 1.00 0.00 O ATOM 1169 OD2 ASP A 78 1.633 5.183 -8.138 1.00 0.00 O ATOM 0 H ASP A 78 4.017 8.260 -5.321 1.00 0.00 H new ATOM 0 HA ASP A 78 1.390 7.219 -5.396 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.778 7.239 -7.374 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.051 6.339 -6.573 1.00 0.00 H new ATOM 1174 N ILE A 79 1.457 5.665 -3.426 1.00 0.00 N ATOM 1175 CA ILE A 79 1.370 4.595 -2.440 1.00 0.00 C ATOM 1176 C ILE A 79 0.287 3.589 -2.814 1.00 0.00 C ATOM 1177 O ILE A 79 -0.831 3.966 -3.166 1.00 0.00 O ATOM 1178 CB ILE A 79 1.077 5.149 -1.033 1.00 0.00 C ATOM 1179 CG1 ILE A 79 2.052 6.278 -0.692 1.00 0.00 C ATOM 1180 CG2 ILE A 79 1.161 4.038 0.002 1.00 0.00 C ATOM 1181 CD1 ILE A 79 1.456 7.341 0.204 1.00 0.00 C ATOM 0 H ILE A 79 0.698 6.345 -3.379 1.00 0.00 H new ATOM 0 HA ILE A 79 2.339 4.095 -2.430 1.00 0.00 H new ATOM 0 HB ILE A 79 0.065 5.553 -1.021 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.930 5.854 -0.205 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.394 6.743 -1.616 1.00 0.00 H new ATOM 0 HG21 ILE A 79 0.952 4.445 0.991 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.430 3.265 -0.234 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.162 3.606 -0.008 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.203 8.109 0.404 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.595 7.792 -0.290 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.140 6.889 1.144 1.00 0.00 H new ATOM 1193 N LYS A 80 0.625 2.307 -2.734 1.00 0.00 N ATOM 1194 CA LYS A 80 -0.318 1.244 -3.061 1.00 0.00 C ATOM 1195 C LYS A 80 -0.283 0.142 -2.007 1.00 0.00 C ATOM 1196 O LYS A 80 0.400 0.264 -0.989 1.00 0.00 O ATOM 1197 CB LYS A 80 0.000 0.657 -4.438 1.00 0.00 C ATOM 1198 CG LYS A 80 1.485 0.616 -4.753 1.00 0.00 C ATOM 1199 CD LYS A 80 1.743 0.765 -6.244 1.00 0.00 C ATOM 1200 CE LYS A 80 1.445 -0.526 -6.992 1.00 0.00 C ATOM 1201 NZ LYS A 80 1.852 -0.444 -8.422 1.00 0.00 N ATOM 0 H LYS A 80 1.546 1.978 -2.445 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.319 1.674 -3.079 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.403 -0.354 -4.495 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.509 1.246 -5.201 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.995 1.414 -4.213 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.907 -0.326 -4.402 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.125 1.569 -6.643 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.782 1.050 -6.408 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.968 -1.353 -6.512 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.379 -0.744 -6.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 1.633 -1.343 -8.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.334 0.329 -8.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.874 -0.261 -8.482 1.00 0.00 H new ATOM 1215 N VAL A 81 -1.022 -0.934 -2.257 1.00 0.00 N ATOM 1216 CA VAL A 81 -1.074 -2.058 -1.331 1.00 0.00 C ATOM 1217 C VAL A 81 -1.400 -3.357 -2.060 1.00 0.00 C ATOM 1218 O VAL A 81 -1.926 -3.340 -3.173 1.00 0.00 O ATOM 1219 CB VAL A 81 -2.119 -1.827 -0.224 1.00 0.00 C ATOM 1220 CG1 VAL A 81 -3.469 -2.392 -0.638 1.00 0.00 C ATOM 1221 CG2 VAL A 81 -1.653 -2.443 1.087 1.00 0.00 C ATOM 0 H VAL A 81 -1.593 -1.051 -3.094 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.087 -2.138 -0.876 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.232 -0.753 -0.074 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.195 -2.219 0.157 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.806 -1.899 -1.550 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.376 -3.463 -0.818 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.404 -2.270 1.858 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.510 -3.515 0.954 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.711 -1.986 1.389 1.00 0.00 H new ATOM 1231 N ARG A 82 -1.086 -4.481 -1.425 1.00 0.00 N ATOM 1232 CA ARG A 82 -1.346 -5.789 -2.014 1.00 0.00 C ATOM 1233 C ARG A 82 -1.514 -6.850 -0.929 1.00 0.00 C ATOM 1234 O ARG A 82 -0.814 -6.833 0.083 1.00 0.00 O ATOM 1235 CB ARG A 82 -0.206 -6.184 -2.955 1.00 0.00 C ATOM 1236 CG ARG A 82 1.096 -6.499 -2.237 1.00 0.00 C ATOM 1237 CD ARG A 82 1.976 -7.427 -3.060 1.00 0.00 C ATOM 1238 NE ARG A 82 2.858 -6.688 -3.960 1.00 0.00 N ATOM 1239 CZ ARG A 82 3.996 -7.178 -4.439 1.00 0.00 C ATOM 1240 NH1 ARG A 82 4.387 -8.401 -4.107 1.00 0.00 N ATOM 1241 NH2 ARG A 82 4.744 -6.446 -5.254 1.00 0.00 N ATOM 0 H ARG A 82 -0.651 -4.512 -0.503 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.273 -5.725 -2.584 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.511 -7.055 -3.535 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -0.034 -5.373 -3.663 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.633 -5.573 -2.033 1.00 0.00 H new ATOM 0 HG3 ARG A 82 0.879 -6.961 -1.274 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.575 -8.046 -2.392 1.00 0.00 H new ATOM 0 HD3 ARG A 82 1.348 -8.102 -3.641 1.00 0.00 H new ATOM 0 HE ARG A 82 2.585 -5.745 -4.236 1.00 0.00 H new ATOM 0 HH11 ARG A 82 3.813 -8.968 -3.482 1.00 0.00 H new ATOM 0 HH12 ARG A 82 5.261 -8.775 -4.476 1.00 0.00 H new ATOM 0 HH21 ARG A 82 4.446 -5.506 -5.514 1.00 0.00 H new ATOM 0 HH22 ARG A 82 5.618 -6.823 -5.621 1.00 0.00 H new ATOM 1255 N ALA A 83 -2.447 -7.770 -1.149 1.00 0.00 N ATOM 1256 CA ALA A 83 -2.707 -8.838 -0.192 1.00 0.00 C ATOM 1257 C ALA A 83 -1.770 -10.020 -0.421 1.00 0.00 C ATOM 1258 O ALA A 83 -1.434 -10.346 -1.560 1.00 0.00 O ATOM 1259 CB ALA A 83 -4.158 -9.287 -0.282 1.00 0.00 C ATOM 0 H ALA A 83 -3.035 -7.797 -1.982 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.521 -8.448 0.809 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.337 -10.085 0.439 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.814 -8.445 -0.061 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.364 -9.653 -1.288 1.00 0.00 H new ATOM 1265 N TRP A 84 -1.352 -10.656 0.667 1.00 0.00 N ATOM 1266 CA TRP A 84 -0.453 -11.802 0.583 1.00 0.00 C ATOM 1267 C TRP A 84 -1.110 -13.052 1.158 1.00 0.00 C ATOM 1268 O TRP A 84 -1.908 -12.974 2.092 1.00 0.00 O ATOM 1269 CB TRP A 84 0.851 -11.508 1.327 1.00 0.00 C ATOM 1270 CG TRP A 84 1.713 -10.495 0.638 1.00 0.00 C ATOM 1271 CD1 TRP A 84 1.436 -9.170 0.458 1.00 0.00 C ATOM 1272 CD2 TRP A 84 2.991 -10.724 0.035 1.00 0.00 C ATOM 1273 NE1 TRP A 84 2.464 -8.562 -0.221 1.00 0.00 N ATOM 1274 CE2 TRP A 84 3.431 -9.494 -0.491 1.00 0.00 C ATOM 1275 CE3 TRP A 84 3.808 -11.849 -0.109 1.00 0.00 C ATOM 1276 CZ2 TRP A 84 4.650 -9.360 -1.150 1.00 0.00 C ATOM 1277 CZ3 TRP A 84 5.017 -11.715 -0.765 1.00 0.00 C ATOM 1278 CH2 TRP A 84 5.429 -10.478 -1.278 1.00 0.00 C ATOM 0 H TRP A 84 -1.620 -10.398 1.617 1.00 0.00 H new ATOM 0 HA TRP A 84 -0.231 -11.982 -0.469 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.616 -11.152 2.330 1.00 0.00 H new ATOM 0 HB3 TRP A 84 1.413 -12.435 1.441 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.540 -8.673 0.799 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.501 -7.577 -0.482 1.00 0.00 H new ATOM 0 HE3 TRP A 84 3.500 -12.806 0.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 4.970 -8.407 -1.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.655 -12.578 -0.884 1.00 0.00 H new ATOM 0 HH2 TRP A 84 6.380 -10.405 -1.784 1.00 0.00 H new ATOM 1289 N THR A 85 -0.769 -14.207 0.593 1.00 0.00 N ATOM 1290 CA THR A 85 -1.326 -15.474 1.049 1.00 0.00 C ATOM 1291 C THR A 85 -0.224 -16.454 1.432 1.00 0.00 C ATOM 1292 O THR A 85 0.927 -16.300 1.023 1.00 0.00 O ATOM 1293 CB THR A 85 -2.216 -16.117 -0.032 1.00 0.00 C ATOM 1294 OG1 THR A 85 -1.500 -16.202 -1.269 1.00 0.00 O ATOM 1295 CG2 THR A 85 -3.492 -15.313 -0.232 1.00 0.00 C ATOM 0 H THR A 85 -0.110 -14.290 -0.181 1.00 0.00 H new ATOM 0 HA THR A 85 -1.933 -15.254 1.927 1.00 0.00 H new ATOM 0 HB THR A 85 -2.486 -17.119 0.300 1.00 0.00 H new ATOM 0 HG1 THR A 85 -2.092 -16.554 -1.966 1.00 0.00 H new ATOM 0 HG21 THR A 85 -4.104 -15.787 -1.000 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.049 -15.276 0.704 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.239 -14.300 -0.544 1.00 0.00 H new ATOM 1303 N SER A 86 -0.582 -17.462 2.221 1.00 0.00 N ATOM 1304 CA SER A 86 0.379 -18.466 2.662 1.00 0.00 C ATOM 1305 C SER A 86 1.256 -18.926 1.502 1.00 0.00 C ATOM 1306 O SER A 86 2.365 -19.421 1.704 1.00 0.00 O ATOM 1307 CB SER A 86 -0.349 -19.666 3.273 1.00 0.00 C ATOM 1308 OG SER A 86 0.507 -20.792 3.358 1.00 0.00 O ATOM 0 H SER A 86 -1.530 -17.605 2.568 1.00 0.00 H new ATOM 0 HA SER A 86 1.018 -18.013 3.420 1.00 0.00 H new ATOM 0 HB2 SER A 86 -0.714 -19.407 4.267 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.221 -19.913 2.668 1.00 0.00 H new ATOM 0 HG SER A 86 0.019 -21.545 3.753 1.00 0.00 H new ATOM 1314 N LYS A 87 0.751 -18.759 0.284 1.00 0.00 N ATOM 1315 CA LYS A 87 1.487 -19.155 -0.911 1.00 0.00 C ATOM 1316 C LYS A 87 2.507 -18.089 -1.299 1.00 0.00 C ATOM 1317 O LYS A 87 3.708 -18.351 -1.338 1.00 0.00 O ATOM 1318 CB LYS A 87 0.520 -19.398 -2.072 1.00 0.00 C ATOM 1319 CG LYS A 87 -0.283 -20.680 -1.936 1.00 0.00 C ATOM 1320 CD LYS A 87 -1.594 -20.443 -1.205 1.00 0.00 C ATOM 1321 CE LYS A 87 -2.335 -21.746 -0.952 1.00 0.00 C ATOM 1322 NZ LYS A 87 -1.701 -22.543 0.135 1.00 0.00 N ATOM 0 H LYS A 87 -0.166 -18.352 0.099 1.00 0.00 H new ATOM 0 HA LYS A 87 2.020 -20.080 -0.691 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.167 -18.555 -2.144 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.085 -19.430 -3.004 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.486 -21.090 -2.925 1.00 0.00 H new ATOM 0 HG3 LYS A 87 0.305 -21.423 -1.398 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.397 -19.945 -0.256 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.223 -19.774 -1.792 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.370 -21.530 -0.687 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.357 -22.335 -1.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -2.283 -23.382 0.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -0.751 -22.843 -0.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -1.626 -21.961 0.994 1.00 0.00 H new ATOM 1336 N GLY A 88 2.019 -16.886 -1.585 1.00 0.00 N ATOM 1337 CA GLY A 88 2.902 -15.799 -1.966 1.00 0.00 C ATOM 1338 C GLY A 88 2.188 -14.463 -2.020 1.00 0.00 C ATOM 1339 O GLY A 88 1.536 -14.061 -1.057 1.00 0.00 O ATOM 0 H GLY A 88 1.028 -16.645 -1.560 1.00 0.00 H new ATOM 0 HA2 GLY A 88 3.726 -15.738 -1.255 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.338 -16.014 -2.942 1.00 0.00 H new ATOM 1343 N SER A 89 2.312 -13.773 -3.149 1.00 0.00 N ATOM 1344 CA SER A 89 1.677 -12.472 -3.324 1.00 0.00 C ATOM 1345 C SER A 89 0.811 -12.454 -4.580 1.00 0.00 C ATOM 1346 O SER A 89 0.845 -13.384 -5.384 1.00 0.00 O ATOM 1347 CB SER A 89 2.736 -11.371 -3.405 1.00 0.00 C ATOM 1348 OG SER A 89 3.474 -11.461 -4.612 1.00 0.00 O ATOM 0 H SER A 89 2.847 -14.093 -3.957 1.00 0.00 H new ATOM 0 HA SER A 89 1.037 -12.289 -2.461 1.00 0.00 H new ATOM 0 HB2 SER A 89 2.256 -10.395 -3.341 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.413 -11.450 -2.554 1.00 0.00 H new ATOM 0 HG SER A 89 4.322 -10.980 -4.514 1.00 0.00 H new ATOM 1354 N GLY A 90 0.034 -11.387 -4.740 1.00 0.00 N ATOM 1355 CA GLY A 90 -0.830 -11.266 -5.899 1.00 0.00 C ATOM 1356 C GLY A 90 -0.638 -9.953 -6.632 1.00 0.00 C ATOM 1357 O GLY A 90 0.481 -9.464 -6.791 1.00 0.00 O ATOM 0 H GLY A 90 -0.012 -10.604 -4.087 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -0.633 -12.092 -6.582 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -1.870 -11.354 -5.584 1.00 0.00 H new ATOM 1361 N PRO A 91 -1.749 -9.361 -7.095 1.00 0.00 N ATOM 1362 CA PRO A 91 -1.723 -8.089 -7.824 1.00 0.00 C ATOM 1363 C PRO A 91 -1.353 -6.914 -6.926 1.00 0.00 C ATOM 1364 O PRO A 91 -1.109 -7.085 -5.731 1.00 0.00 O ATOM 1365 CB PRO A 91 -3.159 -7.942 -8.332 1.00 0.00 C ATOM 1366 CG PRO A 91 -3.982 -8.737 -7.378 1.00 0.00 C ATOM 1367 CD PRO A 91 -3.115 -9.887 -6.942 1.00 0.00 C ATOM 0 HA PRO A 91 -0.974 -8.088 -8.616 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.469 -6.897 -8.346 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.259 -8.318 -9.350 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.285 -8.131 -6.524 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -4.895 -9.095 -7.854 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -3.321 -10.177 -5.912 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -3.277 -10.770 -7.560 1.00 0.00 H new ATOM 1375 N LEU A 92 -1.312 -5.720 -7.508 1.00 0.00 N ATOM 1376 CA LEU A 92 -0.972 -4.515 -6.760 1.00 0.00 C ATOM 1377 C LEU A 92 -2.084 -3.476 -6.867 1.00 0.00 C ATOM 1378 O LEU A 92 -2.405 -3.006 -7.958 1.00 0.00 O ATOM 1379 CB LEU A 92 0.343 -3.927 -7.273 1.00 0.00 C ATOM 1380 CG LEU A 92 1.613 -4.409 -6.572 1.00 0.00 C ATOM 1381 CD1 LEU A 92 2.824 -4.226 -7.474 1.00 0.00 C ATOM 1382 CD2 LEU A 92 1.810 -3.669 -5.257 1.00 0.00 C ATOM 0 H LEU A 92 -1.510 -5.561 -8.496 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.856 -4.788 -5.711 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.430 -4.155 -8.335 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.292 -2.842 -7.183 1.00 0.00 H new ATOM 0 HG LEU A 92 1.504 -5.472 -6.356 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.718 -4.575 -6.958 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.686 -4.801 -8.389 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.937 -3.171 -7.722 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.719 -4.025 -4.772 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.897 -2.600 -5.451 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.955 -3.851 -4.605 1.00 0.00 H new ATOM 1394 N SER A 93 -2.665 -3.120 -5.726 1.00 0.00 N ATOM 1395 CA SER A 93 -3.742 -2.137 -5.692 1.00 0.00 C ATOM 1396 C SER A 93 -3.335 -0.860 -6.420 1.00 0.00 C ATOM 1397 O SER A 93 -2.154 -0.536 -6.547 1.00 0.00 O ATOM 1398 CB SER A 93 -4.120 -1.814 -4.245 1.00 0.00 C ATOM 1399 OG SER A 93 -3.282 -0.803 -3.712 1.00 0.00 O ATOM 0 H SER A 93 -2.409 -3.497 -4.814 1.00 0.00 H new ATOM 0 HA SER A 93 -4.607 -2.564 -6.200 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.160 -1.489 -4.201 1.00 0.00 H new ATOM 0 HB3 SER A 93 -4.041 -2.714 -3.636 1.00 0.00 H new ATOM 0 HG SER A 93 -3.507 0.058 -4.121 1.00 0.00 H new ATOM 1405 N PRO A 94 -4.337 -0.115 -6.911 1.00 0.00 N ATOM 1406 CA PRO A 94 -4.110 1.139 -7.635 1.00 0.00 C ATOM 1407 C PRO A 94 -3.600 2.250 -6.724 1.00 0.00 C ATOM 1408 O PRO A 94 -4.298 2.685 -5.809 1.00 0.00 O ATOM 1409 CB PRO A 94 -5.496 1.490 -8.182 1.00 0.00 C ATOM 1410 CG PRO A 94 -6.449 0.821 -7.252 1.00 0.00 C ATOM 1411 CD PRO A 94 -5.769 -0.440 -6.797 1.00 0.00 C ATOM 0 HA PRO A 94 -3.347 1.031 -8.406 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -5.653 2.568 -8.202 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -5.621 1.131 -9.204 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -6.684 1.465 -6.405 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -7.391 0.597 -7.753 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -6.043 -0.697 -5.774 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -6.039 -1.291 -7.423 1.00 0.00 H new ATOM 1419 N SER A 95 -2.378 2.706 -6.981 1.00 0.00 N ATOM 1420 CA SER A 95 -1.773 3.765 -6.182 1.00 0.00 C ATOM 1421 C SER A 95 -2.749 4.921 -5.983 1.00 0.00 C ATOM 1422 O SER A 95 -3.668 5.116 -6.780 1.00 0.00 O ATOM 1423 CB SER A 95 -0.494 4.272 -6.851 1.00 0.00 C ATOM 1424 OG SER A 95 -0.553 4.103 -8.257 1.00 0.00 O ATOM 0 H SER A 95 -1.788 2.358 -7.737 1.00 0.00 H new ATOM 0 HA SER A 95 -1.523 3.351 -5.205 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.349 5.326 -6.614 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.366 3.734 -6.453 1.00 0.00 H new ATOM 0 HG SER A 95 0.119 4.675 -8.684 1.00 0.00 H new ATOM 1430 N ILE A 96 -2.543 5.684 -4.915 1.00 0.00 N ATOM 1431 CA ILE A 96 -3.403 6.821 -4.612 1.00 0.00 C ATOM 1432 C ILE A 96 -2.672 8.140 -4.838 1.00 0.00 C ATOM 1433 O ILE A 96 -3.295 9.171 -5.090 1.00 0.00 O ATOM 1434 CB ILE A 96 -3.911 6.771 -3.159 1.00 0.00 C ATOM 1435 CG1 ILE A 96 -2.785 6.343 -2.217 1.00 0.00 C ATOM 1436 CG2 ILE A 96 -5.095 5.822 -3.044 1.00 0.00 C ATOM 1437 CD1 ILE A 96 -3.196 6.303 -0.761 1.00 0.00 C ATOM 0 H ILE A 96 -1.788 5.535 -4.245 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.255 6.761 -5.289 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.241 7.769 -2.870 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.430 5.356 -2.513 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.947 7.030 -2.331 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.443 5.797 -2.011 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.902 6.167 -3.690 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.790 4.821 -3.348 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.347 5.991 -0.152 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.523 7.295 -0.448 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -4.014 5.594 -0.633 1.00 0.00 H new ATOM 1449 N GLN A 97 -1.346 8.098 -4.747 1.00 0.00 N ATOM 1450 CA GLN A 97 -0.529 9.290 -4.943 1.00 0.00 C ATOM 1451 C GLN A 97 -0.863 10.355 -3.903 1.00 0.00 C ATOM 1452 O GLN A 97 -1.105 11.513 -4.243 1.00 0.00 O ATOM 1453 CB GLN A 97 -0.738 9.851 -6.350 1.00 0.00 C ATOM 1454 CG GLN A 97 0.210 9.266 -7.385 1.00 0.00 C ATOM 1455 CD GLN A 97 -0.415 9.174 -8.763 1.00 0.00 C ATOM 1456 OE1 GLN A 97 -0.893 10.169 -9.308 1.00 0.00 O ATOM 1457 NE2 GLN A 97 -0.416 7.975 -9.334 1.00 0.00 N ATOM 0 H GLN A 97 -0.815 7.252 -4.539 1.00 0.00 H new ATOM 0 HA GLN A 97 0.517 9.007 -4.824 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -1.765 9.658 -6.660 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -0.611 10.933 -6.323 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.108 9.881 -7.438 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.523 8.272 -7.065 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -0.009 7.177 -8.846 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.824 7.852 -10.261 1.00 0.00 H new ATOM 1466 N SER A 98 -0.875 9.955 -2.636 1.00 0.00 N ATOM 1467 CA SER A 98 -1.184 10.874 -1.547 1.00 0.00 C ATOM 1468 C SER A 98 -0.026 11.837 -1.304 1.00 0.00 C ATOM 1469 O SER A 98 0.960 11.488 -0.654 1.00 0.00 O ATOM 1470 CB SER A 98 -1.492 10.096 -0.266 1.00 0.00 C ATOM 1471 OG SER A 98 -2.232 10.889 0.646 1.00 0.00 O ATOM 0 H SER A 98 -0.674 9.000 -2.338 1.00 0.00 H new ATOM 0 HA SER A 98 -2.062 11.453 -1.832 1.00 0.00 H new ATOM 0 HB2 SER A 98 -2.055 9.195 -0.510 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.561 9.773 0.200 1.00 0.00 H new ATOM 0 HG SER A 98 -1.908 10.728 1.557 1.00 0.00 H new ATOM 1477 N ARG A 99 -0.152 13.050 -1.832 1.00 0.00 N ATOM 1478 CA ARG A 99 0.884 14.064 -1.674 1.00 0.00 C ATOM 1479 C ARG A 99 0.917 14.590 -0.242 1.00 0.00 C ATOM 1480 O ARG A 99 -0.024 15.240 0.215 1.00 0.00 O ATOM 1481 CB ARG A 99 0.648 15.220 -2.648 1.00 0.00 C ATOM 1482 CG ARG A 99 1.575 16.403 -2.425 1.00 0.00 C ATOM 1483 CD ARG A 99 1.400 17.460 -3.504 1.00 0.00 C ATOM 1484 NE ARG A 99 0.315 18.386 -3.192 1.00 0.00 N ATOM 1485 CZ ARG A 99 -0.960 18.147 -3.479 1.00 0.00 C ATOM 1486 NH1 ARG A 99 -1.308 17.017 -4.080 1.00 0.00 N ATOM 1487 NH2 ARG A 99 -1.891 19.039 -3.163 1.00 0.00 N ATOM 0 H ARG A 99 -0.961 13.355 -2.373 1.00 0.00 H new ATOM 0 HA ARG A 99 1.846 13.602 -1.895 1.00 0.00 H new ATOM 0 HB2 ARG A 99 0.775 14.857 -3.668 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -0.385 15.556 -2.556 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.376 16.843 -1.448 1.00 0.00 H new ATOM 0 HG3 ARG A 99 2.609 16.059 -2.415 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.330 18.017 -3.620 1.00 0.00 H new ATOM 0 HD3 ARG A 99 1.198 16.974 -4.458 1.00 0.00 H new ATOM 0 HE ARG A 99 0.549 19.264 -2.729 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -0.596 16.328 -4.323 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -2.288 16.837 -4.299 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -1.628 19.909 -2.700 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -2.870 18.855 -3.384 1.00 0.00 H new ATOM 1501 N THR A 100 2.007 14.303 0.463 1.00 0.00 N ATOM 1502 CA THR A 100 2.162 14.744 1.843 1.00 0.00 C ATOM 1503 C THR A 100 1.692 16.184 2.016 1.00 0.00 C ATOM 1504 O THR A 100 1.704 16.969 1.068 1.00 0.00 O ATOM 1505 CB THR A 100 3.627 14.636 2.306 1.00 0.00 C ATOM 1506 OG1 THR A 100 4.470 15.420 1.454 1.00 0.00 O ATOM 1507 CG2 THR A 100 4.093 13.188 2.294 1.00 0.00 C ATOM 0 H THR A 100 2.795 13.767 0.100 1.00 0.00 H new ATOM 0 HA THR A 100 1.545 14.087 2.456 1.00 0.00 H new ATOM 0 HB THR A 100 3.691 15.014 3.326 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.319 14.951 1.312 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.130 13.137 2.625 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.469 12.599 2.966 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.014 12.789 1.283 1.00 0.00 H new ATOM 1515 N MET A 101 1.279 16.525 3.232 1.00 0.00 N ATOM 1516 CA MET A 101 0.807 17.872 3.529 1.00 0.00 C ATOM 1517 C MET A 101 1.935 18.889 3.383 1.00 0.00 C ATOM 1518 O MET A 101 3.075 18.648 3.781 1.00 0.00 O ATOM 1519 CB MET A 101 0.230 17.933 4.945 1.00 0.00 C ATOM 1520 CG MET A 101 1.260 18.288 6.006 1.00 0.00 C ATOM 1521 SD MET A 101 0.523 18.545 7.631 1.00 0.00 S ATOM 1522 CE MET A 101 -0.751 17.286 7.628 1.00 0.00 C ATOM 0 H MET A 101 1.262 15.887 4.028 1.00 0.00 H new ATOM 0 HA MET A 101 0.023 18.121 2.814 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.574 18.669 4.970 1.00 0.00 H new ATOM 0 HB3 MET A 101 -0.214 16.968 5.190 1.00 0.00 H new ATOM 0 HG2 MET A 101 2.000 17.491 6.069 1.00 0.00 H new ATOM 0 HG3 MET A 101 1.790 19.192 5.705 1.00 0.00 H new ATOM 0 HE1 MET A 101 -1.053 17.071 8.653 1.00 0.00 H new ATOM 0 HE2 MET A 101 -1.613 17.642 7.063 1.00 0.00 H new ATOM 0 HE3 MET A 101 -0.364 16.378 7.166 1.00 0.00 H new ATOM 1532 N PRO A 102 1.612 20.051 2.797 1.00 0.00 N ATOM 1533 CA PRO A 102 2.585 21.127 2.585 1.00 0.00 C ATOM 1534 C PRO A 102 3.011 21.790 3.890 1.00 0.00 C ATOM 1535 O PRO A 102 2.343 22.699 4.383 1.00 0.00 O ATOM 1536 CB PRO A 102 1.827 22.122 1.702 1.00 0.00 C ATOM 1537 CG PRO A 102 0.389 21.876 2.003 1.00 0.00 C ATOM 1538 CD PRO A 102 0.273 20.406 2.297 1.00 0.00 C ATOM 0 HA PRO A 102 3.509 20.758 2.140 1.00 0.00 H new ATOM 0 HB2 PRO A 102 2.109 23.150 1.931 1.00 0.00 H new ATOM 0 HB3 PRO A 102 2.044 21.960 0.646 1.00 0.00 H new ATOM 0 HG2 PRO A 102 0.061 22.471 2.855 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -0.240 22.156 1.158 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -0.499 20.204 3.039 1.00 0.00 H new ATOM 0 HD3 PRO A 102 0.014 19.837 1.404 1.00 0.00 H new ATOM 1546 N VAL A 103 4.127 21.329 4.447 1.00 0.00 N ATOM 1547 CA VAL A 103 4.642 21.879 5.695 1.00 0.00 C ATOM 1548 C VAL A 103 4.597 23.403 5.684 1.00 0.00 C ATOM 1549 O VAL A 103 4.328 24.033 6.707 1.00 0.00 O ATOM 1550 CB VAL A 103 6.090 21.421 5.954 1.00 0.00 C ATOM 1551 CG1 VAL A 103 6.960 21.684 4.734 1.00 0.00 C ATOM 1552 CG2 VAL A 103 6.656 22.116 7.183 1.00 0.00 C ATOM 0 H VAL A 103 4.691 20.576 4.053 1.00 0.00 H new ATOM 0 HA VAL A 103 4.002 21.505 6.494 1.00 0.00 H new ATOM 0 HB VAL A 103 6.085 20.347 6.142 1.00 0.00 H new ATOM 0 HG11 VAL A 103 7.979 21.354 4.936 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.564 21.136 3.879 1.00 0.00 H new ATOM 0 HG13 VAL A 103 6.962 22.751 4.511 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.679 21.781 7.351 1.00 0.00 H new ATOM 0 HG22 VAL A 103 6.648 23.195 7.027 1.00 0.00 H new ATOM 0 HG23 VAL A 103 6.046 21.871 8.053 1.00 0.00 H new TER 1562 VAL A 103