USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=33 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 21 THR OG1 : rot 136:sc= 0.827 USER MOD Set 1.2: A 24 THR OG1 : rot 180:sc= -0.192 USER MOD Single : A 1 GLY N :NH3+ -137:sc= 0.0895 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -8:sc= 1.02 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -30:sc= 0.665 USER MOD Single : A 13 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 14 ASN : amide:sc= -0.238 X(o=-0.24,f=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.23 X(o=-0.23,f=-0.45) USER MOD Single : A 18 THR OG1 : rot -20:sc= 0.131 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 18:sc= -0.0308 USER MOD Single : A 38 ASN : amide:sc= -3.98! C(o=-4!,f=-4.8!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 30:sc= -1.37! USER MOD Single : A 45 THR OG1 : rot 63:sc= 0.699 USER MOD Single : A 52 ASN : amide:sc= -0.309 X(o=-0.31,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.484 X(o=-0.48,f=-0.45) USER MOD Single : A 55 GLN :FLIP amide:sc= -0.142 F(o=-3.3!,f=-0.14) USER MOD Single : A 58 GLN : amide:sc= -0.0801 K(o=-0.08,f=-3.2!) USER MOD Single : A 59 ASN : amide:sc= -2.84! C(o=-2.8!,f=-3.1!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.088 USER MOD Single : A 67 THR OG1 : rot 170:sc= -0.859 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 8:sc= -1.11 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 54:sc= 1.71 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 15:sc= -1.62 USER MOD Single : A 86 SER OG : rot 150:sc=-0.00108 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot -172:sc= -0.791 USER MOD Single : A 93 SER OG : rot 72:sc= -1.03 USER MOD Single : A 95 SER OG : rot 171:sc= 1.23 USER MOD Single : A 97 GLN : amide:sc=-0.000719 X(o=-0.00072,f=0) USER MOD Single : A 98 SER OG : rot -170:sc=-0.00907 USER MOD Single : A 100 THR OG1 : rot -134:sc= -0.345 USER MOD Single : A 101 MET CE :methyl 160:sc= -1.06 (180deg=-2.62!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.834 -21.961 -16.457 1.00 0.00 N ATOM 2 CA GLY A 1 9.959 -22.224 -15.036 1.00 0.00 C ATOM 3 C GLY A 1 8.834 -23.090 -14.505 1.00 0.00 C ATOM 4 O GLY A 1 7.978 -23.543 -15.266 1.00 0.00 O ATOM 0 H1 GLY A 1 10.765 -22.057 -16.911 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.171 -22.642 -16.879 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.476 -20.995 -16.601 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.913 -22.715 -14.843 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.972 -21.278 -14.494 1.00 0.00 H new ATOM 8 N SER A 2 8.835 -23.322 -13.196 1.00 0.00 N ATOM 9 CA SER A 2 7.809 -24.145 -12.565 1.00 0.00 C ATOM 10 C SER A 2 7.079 -23.363 -11.477 1.00 0.00 C ATOM 11 O SER A 2 7.426 -23.446 -10.299 1.00 0.00 O ATOM 12 CB SER A 2 8.433 -25.408 -11.970 1.00 0.00 C ATOM 13 OG SER A 2 8.738 -26.352 -12.982 1.00 0.00 O ATOM 0 H SER A 2 9.534 -22.952 -12.552 1.00 0.00 H new ATOM 0 HA SER A 2 7.087 -24.431 -13.329 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.341 -25.147 -11.426 1.00 0.00 H new ATOM 0 HB3 SER A 2 7.746 -25.852 -11.249 1.00 0.00 H new ATOM 0 HG SER A 2 9.137 -27.149 -12.576 1.00 0.00 H new ATOM 19 N SER A 3 6.066 -22.603 -11.881 1.00 0.00 N ATOM 20 CA SER A 3 5.289 -21.803 -10.942 1.00 0.00 C ATOM 21 C SER A 3 3.949 -21.400 -11.551 1.00 0.00 C ATOM 22 O SER A 3 3.705 -21.613 -12.738 1.00 0.00 O ATOM 23 CB SER A 3 6.072 -20.554 -10.534 1.00 0.00 C ATOM 24 OG SER A 3 7.221 -20.897 -9.778 1.00 0.00 O ATOM 0 H SER A 3 5.764 -22.525 -12.852 1.00 0.00 H new ATOM 0 HA SER A 3 5.099 -22.410 -10.057 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.370 -20.001 -11.425 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.431 -19.894 -9.949 1.00 0.00 H new ATOM 0 HG SER A 3 7.200 -21.854 -9.567 1.00 0.00 H new ATOM 30 N GLY A 4 3.084 -20.815 -10.728 1.00 0.00 N ATOM 31 CA GLY A 4 1.779 -20.391 -11.202 1.00 0.00 C ATOM 32 C GLY A 4 1.274 -19.157 -10.481 1.00 0.00 C ATOM 33 O GLY A 4 0.127 -19.117 -10.034 1.00 0.00 O ATOM 0 H GLY A 4 3.263 -20.627 -9.742 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.833 -20.187 -12.271 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.065 -21.204 -11.068 1.00 0.00 H new ATOM 37 N SER A 5 2.131 -18.148 -10.367 1.00 0.00 N ATOM 38 CA SER A 5 1.766 -16.909 -9.690 1.00 0.00 C ATOM 39 C SER A 5 0.831 -17.185 -8.516 1.00 0.00 C ATOM 40 O SER A 5 -0.158 -16.480 -8.317 1.00 0.00 O ATOM 41 CB SER A 5 1.099 -15.944 -10.672 1.00 0.00 C ATOM 42 OG SER A 5 1.297 -14.597 -10.278 1.00 0.00 O ATOM 0 H SER A 5 3.082 -18.164 -10.734 1.00 0.00 H new ATOM 0 HA SER A 5 2.678 -16.452 -9.305 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.507 -16.098 -11.671 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.031 -16.157 -10.727 1.00 0.00 H new ATOM 0 HG SER A 5 0.862 -14.000 -10.923 1.00 0.00 H new ATOM 48 N SER A 6 1.152 -18.217 -7.743 1.00 0.00 N ATOM 49 CA SER A 6 0.339 -18.591 -6.591 1.00 0.00 C ATOM 50 C SER A 6 0.062 -17.379 -5.706 1.00 0.00 C ATOM 51 O SER A 6 0.983 -16.694 -5.265 1.00 0.00 O ATOM 52 CB SER A 6 1.040 -19.681 -5.778 1.00 0.00 C ATOM 53 OG SER A 6 1.015 -20.922 -6.460 1.00 0.00 O ATOM 0 H SER A 6 1.969 -18.809 -7.893 1.00 0.00 H new ATOM 0 HA SER A 6 -0.612 -18.977 -6.958 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.072 -19.389 -5.586 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.553 -19.786 -4.808 1.00 0.00 H new ATOM 0 HG SER A 6 1.471 -21.601 -5.920 1.00 0.00 H new ATOM 59 N GLY A 7 -1.218 -17.122 -5.451 1.00 0.00 N ATOM 60 CA GLY A 7 -1.595 -15.993 -4.620 1.00 0.00 C ATOM 61 C GLY A 7 -2.978 -15.468 -4.951 1.00 0.00 C ATOM 62 O GLY A 7 -3.705 -16.038 -5.764 1.00 0.00 O ATOM 0 H GLY A 7 -1.999 -17.675 -5.804 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.564 -16.290 -3.572 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.866 -15.193 -4.746 1.00 0.00 H new ATOM 66 N PRO A 8 -3.361 -14.354 -4.308 1.00 0.00 N ATOM 67 CA PRO A 8 -4.670 -13.728 -4.521 1.00 0.00 C ATOM 68 C PRO A 8 -4.790 -13.090 -5.901 1.00 0.00 C ATOM 69 O PRO A 8 -3.810 -12.584 -6.449 1.00 0.00 O ATOM 70 CB PRO A 8 -4.732 -12.656 -3.430 1.00 0.00 C ATOM 71 CG PRO A 8 -3.308 -12.338 -3.130 1.00 0.00 C ATOM 72 CD PRO A 8 -2.547 -13.621 -3.325 1.00 0.00 C ATOM 0 HA PRO A 8 -5.482 -14.454 -4.472 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -5.271 -11.773 -3.773 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -5.251 -13.022 -2.544 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.934 -11.558 -3.793 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -3.197 -11.970 -2.110 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.538 -13.438 -3.695 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.448 -14.175 -2.392 1.00 0.00 H new ATOM 80 N SER A 9 -5.996 -13.119 -6.458 1.00 0.00 N ATOM 81 CA SER A 9 -6.243 -12.546 -7.777 1.00 0.00 C ATOM 82 C SER A 9 -6.955 -11.202 -7.661 1.00 0.00 C ATOM 83 O SER A 9 -7.187 -10.521 -8.659 1.00 0.00 O ATOM 84 CB SER A 9 -7.078 -13.507 -8.625 1.00 0.00 C ATOM 85 OG SER A 9 -7.389 -12.937 -9.885 1.00 0.00 O ATOM 0 H SER A 9 -6.818 -13.533 -6.017 1.00 0.00 H new ATOM 0 HA SER A 9 -5.280 -12.386 -8.263 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.531 -14.439 -8.769 1.00 0.00 H new ATOM 0 HB3 SER A 9 -7.999 -13.756 -8.098 1.00 0.00 H new ATOM 0 HG SER A 9 -7.453 -11.963 -9.797 1.00 0.00 H new ATOM 91 N GLY A 10 -7.299 -10.826 -6.433 1.00 0.00 N ATOM 92 CA GLY A 10 -7.981 -9.565 -6.207 1.00 0.00 C ATOM 93 C GLY A 10 -7.245 -8.675 -5.225 1.00 0.00 C ATOM 94 O GLY A 10 -6.516 -9.162 -4.361 1.00 0.00 O ATOM 0 H GLY A 10 -7.118 -11.372 -5.591 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -8.091 -9.040 -7.156 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.986 -9.761 -5.832 1.00 0.00 H new ATOM 98 N PHE A 11 -7.433 -7.366 -5.359 1.00 0.00 N ATOM 99 CA PHE A 11 -6.779 -6.405 -4.478 1.00 0.00 C ATOM 100 C PHE A 11 -7.785 -5.771 -3.522 1.00 0.00 C ATOM 101 O PHE A 11 -8.990 -5.745 -3.776 1.00 0.00 O ATOM 102 CB PHE A 11 -6.084 -5.318 -5.301 1.00 0.00 C ATOM 103 CG PHE A 11 -6.862 -4.895 -6.514 1.00 0.00 C ATOM 104 CD1 PHE A 11 -6.790 -5.626 -7.689 1.00 0.00 C ATOM 105 CD2 PHE A 11 -7.666 -3.767 -6.479 1.00 0.00 C ATOM 106 CE1 PHE A 11 -7.504 -5.239 -8.807 1.00 0.00 C ATOM 107 CE2 PHE A 11 -8.382 -3.375 -7.594 1.00 0.00 C ATOM 108 CZ PHE A 11 -8.302 -4.113 -8.759 1.00 0.00 C ATOM 0 H PHE A 11 -8.033 -6.946 -6.069 1.00 0.00 H new ATOM 0 HA PHE A 11 -6.032 -6.938 -3.890 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -5.913 -4.448 -4.668 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -5.106 -5.681 -5.615 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.169 -6.508 -7.731 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -7.734 -3.188 -5.570 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -7.438 -5.816 -9.717 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -9.003 -2.493 -7.555 1.00 0.00 H new ATOM 0 HZ PHE A 11 -8.863 -3.810 -9.631 1.00 0.00 H new ATOM 118 N PRO A 12 -7.281 -5.247 -2.395 1.00 0.00 N ATOM 119 CA PRO A 12 -8.117 -4.603 -1.378 1.00 0.00 C ATOM 120 C PRO A 12 -8.690 -3.273 -1.856 1.00 0.00 C ATOM 121 O PRO A 12 -8.268 -2.739 -2.881 1.00 0.00 O ATOM 122 CB PRO A 12 -7.150 -4.381 -0.213 1.00 0.00 C ATOM 123 CG PRO A 12 -5.803 -4.315 -0.845 1.00 0.00 C ATOM 124 CD PRO A 12 -5.855 -5.243 -2.027 1.00 0.00 C ATOM 0 HA PRO A 12 -8.985 -5.210 -1.120 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -7.381 -3.461 0.323 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -7.208 -5.194 0.510 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -5.568 -3.298 -1.158 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.027 -4.620 -0.143 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -5.230 -4.887 -2.846 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -5.504 -6.242 -1.769 1.00 0.00 H new ATOM 132 N GLN A 13 -9.652 -2.745 -1.106 1.00 0.00 N ATOM 133 CA GLN A 13 -10.282 -1.477 -1.455 1.00 0.00 C ATOM 134 C GLN A 13 -10.210 -0.495 -0.290 1.00 0.00 C ATOM 135 O GLN A 13 -9.633 -0.797 0.754 1.00 0.00 O ATOM 136 CB GLN A 13 -11.740 -1.702 -1.859 1.00 0.00 C ATOM 137 CG GLN A 13 -11.968 -3.000 -2.616 1.00 0.00 C ATOM 138 CD GLN A 13 -11.384 -2.970 -4.015 1.00 0.00 C ATOM 139 OE1 GLN A 13 -10.876 -1.943 -4.466 1.00 0.00 O ATOM 140 NE2 GLN A 13 -11.454 -4.099 -4.710 1.00 0.00 N ATOM 0 H GLN A 13 -10.012 -3.175 -0.254 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.740 -1.051 -2.299 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -12.361 -1.700 -0.963 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -12.070 -0.867 -2.478 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -11.523 -3.824 -2.058 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -13.038 -3.197 -2.677 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.884 -4.927 -4.297 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.078 -4.139 -5.657 1.00 0.00 H new ATOM 149 N ASN A 14 -10.801 0.681 -0.477 1.00 0.00 N ATOM 150 CA ASN A 14 -10.803 1.708 0.559 1.00 0.00 C ATOM 151 C ASN A 14 -9.383 2.181 0.859 1.00 0.00 C ATOM 152 O ASN A 14 -9.089 2.633 1.966 1.00 0.00 O ATOM 153 CB ASN A 14 -11.455 1.173 1.835 1.00 0.00 C ATOM 154 CG ASN A 14 -12.949 1.426 1.871 1.00 0.00 C ATOM 155 OD1 ASN A 14 -13.484 1.915 2.866 1.00 0.00 O ATOM 156 ND2 ASN A 14 -13.632 1.092 0.782 1.00 0.00 N ATOM 0 H ASN A 14 -11.284 0.946 -1.335 1.00 0.00 H new ATOM 0 HA ASN A 14 -11.380 2.557 0.193 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -11.269 0.102 1.913 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -10.989 1.642 2.702 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -14.641 1.238 0.748 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -13.148 0.689 -0.020 1.00 0.00 H new ATOM 163 N LEU A 15 -8.508 2.075 -0.135 1.00 0.00 N ATOM 164 CA LEU A 15 -7.119 2.492 0.022 1.00 0.00 C ATOM 165 C LEU A 15 -7.000 4.012 -0.011 1.00 0.00 C ATOM 166 O LEU A 15 -7.248 4.643 -1.039 1.00 0.00 O ATOM 167 CB LEU A 15 -6.254 1.878 -1.081 1.00 0.00 C ATOM 168 CG LEU A 15 -4.742 1.975 -0.880 1.00 0.00 C ATOM 169 CD1 LEU A 15 -4.333 1.310 0.425 1.00 0.00 C ATOM 170 CD2 LEU A 15 -4.006 1.347 -2.054 1.00 0.00 C ATOM 0 H LEU A 15 -8.736 1.704 -1.058 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.767 2.139 0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.520 0.826 -1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.507 2.361 -2.025 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.469 3.029 -0.828 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.253 1.389 0.551 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.833 1.805 1.258 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.620 0.259 0.403 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.931 1.425 -1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.285 0.297 -2.138 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.275 1.868 -2.973 1.00 0.00 H new ATOM 182 N HIS A 16 -6.618 4.595 1.121 1.00 0.00 N ATOM 183 CA HIS A 16 -6.464 6.042 1.222 1.00 0.00 C ATOM 184 C HIS A 16 -5.727 6.422 2.503 1.00 0.00 C ATOM 185 O HIS A 16 -5.287 5.555 3.259 1.00 0.00 O ATOM 186 CB HIS A 16 -7.830 6.726 1.184 1.00 0.00 C ATOM 187 CG HIS A 16 -8.794 6.195 2.200 1.00 0.00 C ATOM 188 ND1 HIS A 16 -9.884 5.418 1.869 1.00 0.00 N ATOM 189 CD2 HIS A 16 -8.827 6.332 3.546 1.00 0.00 C ATOM 190 CE1 HIS A 16 -10.547 5.101 2.967 1.00 0.00 C ATOM 191 NE2 HIS A 16 -9.925 5.643 3.999 1.00 0.00 N ATOM 0 H HIS A 16 -6.409 4.088 1.981 1.00 0.00 H new ATOM 0 HA HIS A 16 -5.874 6.380 0.370 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -7.696 7.796 1.346 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -8.260 6.606 0.190 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -8.121 6.881 4.151 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -11.444 4.501 3.013 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -10.214 5.563 4.974 1.00 0.00 H new ATOM 200 N VAL A 17 -5.596 7.723 2.741 1.00 0.00 N ATOM 201 CA VAL A 17 -4.913 8.218 3.931 1.00 0.00 C ATOM 202 C VAL A 17 -5.903 8.812 4.926 1.00 0.00 C ATOM 203 O VAL A 17 -6.756 9.623 4.562 1.00 0.00 O ATOM 204 CB VAL A 17 -3.861 9.283 3.572 1.00 0.00 C ATOM 205 CG1 VAL A 17 -4.506 10.440 2.824 1.00 0.00 C ATOM 206 CG2 VAL A 17 -3.152 9.776 4.825 1.00 0.00 C ATOM 0 H VAL A 17 -5.954 8.454 2.126 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.413 7.364 4.387 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.118 8.828 2.917 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.747 11.183 2.579 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.962 10.070 1.906 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.272 10.897 3.451 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.412 10.528 4.552 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.881 10.214 5.507 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.655 8.939 5.315 1.00 0.00 H new ATOM 216 N THR A 18 -5.786 8.404 6.186 1.00 0.00 N ATOM 217 CA THR A 18 -6.671 8.896 7.234 1.00 0.00 C ATOM 218 C THR A 18 -6.070 10.108 7.937 1.00 0.00 C ATOM 219 O THR A 18 -6.763 10.828 8.654 1.00 0.00 O ATOM 220 CB THR A 18 -6.964 7.803 8.280 1.00 0.00 C ATOM 221 OG1 THR A 18 -7.823 8.321 9.301 1.00 0.00 O ATOM 222 CG2 THR A 18 -5.675 7.292 8.905 1.00 0.00 C ATOM 0 H THR A 18 -5.086 7.734 6.505 1.00 0.00 H new ATOM 0 HA THR A 18 -7.604 9.186 6.750 1.00 0.00 H new ATOM 0 HB THR A 18 -7.458 6.972 7.777 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.777 9.300 9.302 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.908 6.521 9.640 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.036 6.872 8.129 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.157 8.116 9.395 1.00 0.00 H new ATOM 230 N GLY A 19 -4.776 10.327 7.727 1.00 0.00 N ATOM 231 CA GLY A 19 -4.104 11.454 8.347 1.00 0.00 C ATOM 232 C GLY A 19 -2.649 11.559 7.936 1.00 0.00 C ATOM 233 O GLY A 19 -1.752 11.203 8.703 1.00 0.00 O ATOM 0 H GLY A 19 -4.181 9.744 7.139 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -4.622 12.375 8.078 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -4.166 11.359 9.431 1.00 0.00 H new ATOM 237 N LEU A 20 -2.412 12.047 6.724 1.00 0.00 N ATOM 238 CA LEU A 20 -1.054 12.197 6.211 1.00 0.00 C ATOM 239 C LEU A 20 -0.255 13.177 7.064 1.00 0.00 C ATOM 240 O LEU A 20 -0.793 13.806 7.976 1.00 0.00 O ATOM 241 CB LEU A 20 -1.086 12.675 4.759 1.00 0.00 C ATOM 242 CG LEU A 20 -1.077 14.190 4.551 1.00 0.00 C ATOM 243 CD1 LEU A 20 -1.415 14.533 3.108 1.00 0.00 C ATOM 244 CD2 LEU A 20 -2.053 14.865 5.504 1.00 0.00 C ATOM 0 H LEU A 20 -3.142 12.346 6.078 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.566 11.224 6.255 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.226 12.252 4.239 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.978 12.268 4.283 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.075 14.561 4.766 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.404 15.615 2.979 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.678 14.081 2.444 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.406 14.149 2.865 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.033 15.943 5.342 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.059 14.489 5.321 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.766 14.648 6.533 1.00 0.00 H new ATOM 256 N THR A 21 1.033 13.304 6.760 1.00 0.00 N ATOM 257 CA THR A 21 1.907 14.208 7.498 1.00 0.00 C ATOM 258 C THR A 21 2.981 14.797 6.590 1.00 0.00 C ATOM 259 O THR A 21 3.399 14.169 5.617 1.00 0.00 O ATOM 260 CB THR A 21 2.586 13.493 8.681 1.00 0.00 C ATOM 261 OG1 THR A 21 1.632 12.680 9.375 1.00 0.00 O ATOM 262 CG2 THR A 21 3.198 14.499 9.643 1.00 0.00 C ATOM 0 H THR A 21 1.494 12.792 6.008 1.00 0.00 H new ATOM 0 HA THR A 21 1.279 15.012 7.882 1.00 0.00 H new ATOM 0 HB THR A 21 3.382 12.862 8.287 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.032 11.809 9.579 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.672 13.970 10.470 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.945 15.096 9.119 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.417 15.153 10.031 1.00 0.00 H new ATOM 270 N THR A 22 3.425 16.007 6.915 1.00 0.00 N ATOM 271 CA THR A 22 4.451 16.681 6.129 1.00 0.00 C ATOM 272 C THR A 22 5.595 15.733 5.790 1.00 0.00 C ATOM 273 O THR A 22 6.163 15.795 4.699 1.00 0.00 O ATOM 274 CB THR A 22 5.017 17.904 6.874 1.00 0.00 C ATOM 275 OG1 THR A 22 5.413 17.531 8.199 1.00 0.00 O ATOM 276 CG2 THR A 22 3.985 19.020 6.944 1.00 0.00 C ATOM 0 H THR A 22 3.090 16.540 7.717 1.00 0.00 H new ATOM 0 HA THR A 22 3.974 17.015 5.208 1.00 0.00 H new ATOM 0 HB THR A 22 5.885 18.267 6.324 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.773 18.314 8.665 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.407 19.873 7.475 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.707 19.322 5.934 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.101 18.665 7.473 1.00 0.00 H new ATOM 284 N SER A 23 5.929 14.855 6.730 1.00 0.00 N ATOM 285 CA SER A 23 7.008 13.895 6.531 1.00 0.00 C ATOM 286 C SER A 23 6.457 12.479 6.390 1.00 0.00 C ATOM 287 O SER A 23 6.863 11.727 5.503 1.00 0.00 O ATOM 288 CB SER A 23 7.995 13.956 7.699 1.00 0.00 C ATOM 289 OG SER A 23 8.614 15.228 7.777 1.00 0.00 O ATOM 0 H SER A 23 5.468 14.789 7.637 1.00 0.00 H new ATOM 0 HA SER A 23 7.529 14.157 5.610 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.473 13.744 8.632 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.756 13.185 7.577 1.00 0.00 H new ATOM 0 HG SER A 23 9.239 15.242 8.532 1.00 0.00 H new ATOM 295 N THR A 24 5.529 12.121 7.272 1.00 0.00 N ATOM 296 CA THR A 24 4.922 10.796 7.248 1.00 0.00 C ATOM 297 C THR A 24 3.561 10.827 6.561 1.00 0.00 C ATOM 298 O THR A 24 2.989 11.895 6.341 1.00 0.00 O ATOM 299 CB THR A 24 4.754 10.229 8.670 1.00 0.00 C ATOM 300 OG1 THR A 24 3.636 10.849 9.315 1.00 0.00 O ATOM 301 CG2 THR A 24 6.011 10.456 9.495 1.00 0.00 C ATOM 0 H THR A 24 5.181 12.731 8.012 1.00 0.00 H new ATOM 0 HA THR A 24 5.596 10.150 6.685 1.00 0.00 H new ATOM 0 HB THR A 24 4.579 9.156 8.591 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.535 10.482 10.218 1.00 0.00 H new ATOM 0 HG21 THR A 24 5.868 10.047 10.495 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.855 9.959 9.017 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.212 11.525 9.565 1.00 0.00 H new ATOM 309 N THR A 25 3.046 9.649 6.224 1.00 0.00 N ATOM 310 CA THR A 25 1.752 9.541 5.562 1.00 0.00 C ATOM 311 C THR A 25 0.985 8.318 6.051 1.00 0.00 C ATOM 312 O THR A 25 1.378 7.182 5.791 1.00 0.00 O ATOM 313 CB THR A 25 1.910 9.456 4.032 1.00 0.00 C ATOM 314 OG1 THR A 25 2.089 10.767 3.485 1.00 0.00 O ATOM 315 CG2 THR A 25 0.693 8.799 3.399 1.00 0.00 C ATOM 0 H THR A 25 3.506 8.755 6.399 1.00 0.00 H new ATOM 0 HA THR A 25 1.192 10.442 5.813 1.00 0.00 H new ATOM 0 HB THR A 25 2.787 8.848 3.812 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.355 11.385 4.197 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.827 8.750 2.318 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.576 7.791 3.796 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.197 9.385 3.628 1.00 0.00 H new ATOM 323 N GLU A 26 -0.113 8.559 6.761 1.00 0.00 N ATOM 324 CA GLU A 26 -0.936 7.476 7.286 1.00 0.00 C ATOM 325 C GLU A 26 -1.735 6.809 6.170 1.00 0.00 C ATOM 326 O GLU A 26 -1.889 7.367 5.083 1.00 0.00 O ATOM 327 CB GLU A 26 -1.886 8.004 8.363 1.00 0.00 C ATOM 328 CG GLU A 26 -1.202 8.298 9.688 1.00 0.00 C ATOM 329 CD GLU A 26 -2.181 8.389 10.842 1.00 0.00 C ATOM 330 OE1 GLU A 26 -2.861 9.430 10.961 1.00 0.00 O ATOM 331 OE2 GLU A 26 -2.266 7.422 11.627 1.00 0.00 O ATOM 0 H GLU A 26 -0.453 9.494 6.986 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.273 6.732 7.729 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.363 8.915 8.000 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.678 7.273 8.527 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.472 7.516 9.897 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.652 9.236 9.608 1.00 0.00 H new ATOM 338 N LEU A 27 -2.239 5.612 6.446 1.00 0.00 N ATOM 339 CA LEU A 27 -3.022 4.867 5.466 1.00 0.00 C ATOM 340 C LEU A 27 -4.136 4.077 6.146 1.00 0.00 C ATOM 341 O LEU A 27 -4.104 3.856 7.356 1.00 0.00 O ATOM 342 CB LEU A 27 -2.118 3.919 4.676 1.00 0.00 C ATOM 343 CG LEU A 27 -0.912 4.560 3.989 1.00 0.00 C ATOM 344 CD1 LEU A 27 -0.037 3.496 3.344 1.00 0.00 C ATOM 345 CD2 LEU A 27 -1.366 5.578 2.954 1.00 0.00 C ATOM 0 H LEU A 27 -2.120 5.136 7.340 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.476 5.582 4.780 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.756 3.145 5.353 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.722 3.422 3.917 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.321 5.078 4.744 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.816 3.971 2.860 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.318 2.804 4.108 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.617 2.949 2.601 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -0.494 6.024 2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.980 5.083 2.201 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.950 6.358 3.443 1.00 0.00 H new ATOM 357 N ALA A 28 -5.118 3.652 5.358 1.00 0.00 N ATOM 358 CA ALA A 28 -6.240 2.882 5.883 1.00 0.00 C ATOM 359 C ALA A 28 -7.049 2.252 4.755 1.00 0.00 C ATOM 360 O ALA A 28 -7.770 2.942 4.035 1.00 0.00 O ATOM 361 CB ALA A 28 -7.130 3.767 6.743 1.00 0.00 C ATOM 0 H ALA A 28 -5.160 3.828 4.354 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.840 2.078 6.501 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.963 3.180 7.128 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -6.551 4.165 7.576 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.514 4.591 6.141 1.00 0.00 H new ATOM 367 N TRP A 29 -6.923 0.938 4.606 1.00 0.00 N ATOM 368 CA TRP A 29 -7.643 0.215 3.564 1.00 0.00 C ATOM 369 C TRP A 29 -8.411 -0.964 4.151 1.00 0.00 C ATOM 370 O TRP A 29 -8.428 -1.163 5.365 1.00 0.00 O ATOM 371 CB TRP A 29 -6.670 -0.278 2.491 1.00 0.00 C ATOM 372 CG TRP A 29 -5.631 -1.219 3.019 1.00 0.00 C ATOM 373 CD1 TRP A 29 -5.705 -2.583 3.061 1.00 0.00 C ATOM 374 CD2 TRP A 29 -4.362 -0.868 3.583 1.00 0.00 C ATOM 375 NE1 TRP A 29 -4.560 -3.099 3.617 1.00 0.00 N ATOM 376 CE2 TRP A 29 -3.720 -2.068 3.944 1.00 0.00 C ATOM 377 CE3 TRP A 29 -3.706 0.344 3.815 1.00 0.00 C ATOM 378 CZ2 TRP A 29 -2.455 -2.089 4.525 1.00 0.00 C ATOM 379 CZ3 TRP A 29 -2.451 0.322 4.393 1.00 0.00 C ATOM 380 CH2 TRP A 29 -1.835 -0.888 4.742 1.00 0.00 C ATOM 0 H TRP A 29 -6.329 0.352 5.193 1.00 0.00 H new ATOM 0 HA TRP A 29 -8.358 0.900 3.109 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -7.233 -0.776 1.701 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -6.175 0.581 2.037 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -6.541 -3.169 2.709 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -4.367 -4.090 3.763 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -4.172 1.281 3.547 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.979 -3.020 4.795 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -1.936 1.253 4.579 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -0.853 -0.872 5.191 1.00 0.00 H new ATOM 391 N ASP A 30 -9.047 -1.742 3.281 1.00 0.00 N ATOM 392 CA ASP A 30 -9.816 -2.903 3.714 1.00 0.00 C ATOM 393 C ASP A 30 -9.406 -4.148 2.935 1.00 0.00 C ATOM 394 O ASP A 30 -8.794 -4.070 1.870 1.00 0.00 O ATOM 395 CB ASP A 30 -11.313 -2.644 3.536 1.00 0.00 C ATOM 396 CG ASP A 30 -11.947 -2.039 4.773 1.00 0.00 C ATOM 397 OD1 ASP A 30 -11.418 -1.026 5.277 1.00 0.00 O ATOM 398 OD2 ASP A 30 -12.974 -2.578 5.237 1.00 0.00 O ATOM 0 H ASP A 30 -9.045 -1.590 2.272 1.00 0.00 H new ATOM 0 HA ASP A 30 -9.607 -3.073 4.770 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.465 -1.975 2.689 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.815 -3.581 3.295 1.00 0.00 H new ATOM 403 N PRO A 31 -9.750 -5.326 3.477 1.00 0.00 N ATOM 404 CA PRO A 31 -9.427 -6.611 2.849 1.00 0.00 C ATOM 405 C PRO A 31 -10.230 -6.851 1.575 1.00 0.00 C ATOM 406 O PRO A 31 -11.247 -6.205 1.322 1.00 0.00 O ATOM 407 CB PRO A 31 -9.807 -7.635 3.922 1.00 0.00 C ATOM 408 CG PRO A 31 -10.843 -6.953 4.746 1.00 0.00 C ATOM 409 CD PRO A 31 -10.481 -5.494 4.744 1.00 0.00 C ATOM 0 HA PRO A 31 -8.383 -6.664 2.541 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.196 -8.550 3.476 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.943 -7.916 4.525 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -11.838 -7.109 4.329 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -10.857 -7.350 5.761 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -11.367 -4.860 4.784 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -9.863 -5.232 5.603 1.00 0.00 H new ATOM 417 N PRO A 32 -9.765 -7.804 0.753 1.00 0.00 N ATOM 418 CA PRO A 32 -10.426 -8.152 -0.509 1.00 0.00 C ATOM 419 C PRO A 32 -11.761 -8.856 -0.289 1.00 0.00 C ATOM 420 O PRO A 32 -11.874 -9.745 0.556 1.00 0.00 O ATOM 421 CB PRO A 32 -9.428 -9.097 -1.183 1.00 0.00 C ATOM 422 CG PRO A 32 -8.646 -9.686 -0.060 1.00 0.00 C ATOM 423 CD PRO A 32 -8.559 -8.614 0.991 1.00 0.00 C ATOM 0 HA PRO A 32 -10.665 -7.269 -1.101 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -9.940 -9.870 -1.757 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.781 -8.560 -1.877 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -9.136 -10.577 0.331 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -7.653 -9.988 -0.392 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -8.550 -9.036 1.996 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.650 -8.022 0.886 1.00 0.00 H new ATOM 431 N VAL A 33 -12.770 -8.454 -1.054 1.00 0.00 N ATOM 432 CA VAL A 33 -14.097 -9.048 -0.944 1.00 0.00 C ATOM 433 C VAL A 33 -14.013 -10.567 -0.844 1.00 0.00 C ATOM 434 O VAL A 33 -13.225 -11.203 -1.545 1.00 0.00 O ATOM 435 CB VAL A 33 -14.982 -8.671 -2.147 1.00 0.00 C ATOM 436 CG1 VAL A 33 -15.373 -7.203 -2.084 1.00 0.00 C ATOM 437 CG2 VAL A 33 -14.268 -8.986 -3.453 1.00 0.00 C ATOM 0 H VAL A 33 -12.694 -7.719 -1.757 1.00 0.00 H new ATOM 0 HA VAL A 33 -14.547 -8.652 -0.034 1.00 0.00 H new ATOM 0 HB VAL A 33 -15.894 -9.266 -2.105 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -15.998 -6.956 -2.942 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -15.927 -7.013 -1.165 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -14.474 -6.586 -2.100 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -14.908 -8.713 -4.292 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -13.339 -8.419 -3.506 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -14.045 -10.052 -3.498 1.00 0.00 H new ATOM 447 N LEU A 34 -14.831 -11.143 0.030 1.00 0.00 N ATOM 448 CA LEU A 34 -14.850 -12.589 0.221 1.00 0.00 C ATOM 449 C LEU A 34 -15.020 -13.313 -1.111 1.00 0.00 C ATOM 450 O LEU A 34 -14.672 -14.486 -1.240 1.00 0.00 O ATOM 451 CB LEU A 34 -15.978 -12.982 1.176 1.00 0.00 C ATOM 452 CG LEU A 34 -17.389 -12.977 0.586 1.00 0.00 C ATOM 453 CD1 LEU A 34 -17.683 -14.300 -0.105 1.00 0.00 C ATOM 454 CD2 LEU A 34 -18.420 -12.699 1.670 1.00 0.00 C ATOM 0 H LEU A 34 -15.489 -10.631 0.617 1.00 0.00 H new ATOM 0 HA LEU A 34 -13.895 -12.886 0.655 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -15.770 -13.980 1.561 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -15.959 -12.302 2.028 1.00 0.00 H new ATOM 0 HG LEU A 34 -17.449 -12.181 -0.156 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -18.691 -14.278 -0.519 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -16.964 -14.458 -0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -17.605 -15.113 0.617 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -19.418 -12.699 1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -18.360 -13.472 2.436 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -18.222 -11.726 2.120 1.00 0.00 H new ATOM 466 N ALA A 35 -15.557 -12.604 -2.099 1.00 0.00 N ATOM 467 CA ALA A 35 -15.769 -13.177 -3.422 1.00 0.00 C ATOM 468 C ALA A 35 -14.447 -13.367 -4.157 1.00 0.00 C ATOM 469 O ALA A 35 -14.290 -14.305 -4.938 1.00 0.00 O ATOM 470 CB ALA A 35 -16.705 -12.295 -4.235 1.00 0.00 C ATOM 0 H ALA A 35 -15.853 -11.632 -2.008 1.00 0.00 H new ATOM 0 HA ALA A 35 -16.228 -14.157 -3.296 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -16.855 -12.735 -5.221 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -17.665 -12.215 -3.724 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -16.267 -11.303 -4.343 1.00 0.00 H new ATOM 476 N GLU A 36 -13.499 -12.470 -3.902 1.00 0.00 N ATOM 477 CA GLU A 36 -12.191 -12.540 -4.541 1.00 0.00 C ATOM 478 C GLU A 36 -11.105 -12.882 -3.524 1.00 0.00 C ATOM 479 O GLU A 36 -10.118 -12.159 -3.388 1.00 0.00 O ATOM 480 CB GLU A 36 -11.862 -11.212 -5.227 1.00 0.00 C ATOM 481 CG GLU A 36 -12.637 -10.984 -6.514 1.00 0.00 C ATOM 482 CD GLU A 36 -14.099 -11.363 -6.390 1.00 0.00 C ATOM 483 OE1 GLU A 36 -14.420 -12.557 -6.571 1.00 0.00 O ATOM 484 OE2 GLU A 36 -14.923 -10.467 -6.112 1.00 0.00 O ATOM 0 H GLU A 36 -13.613 -11.687 -3.258 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.224 -13.330 -5.291 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -12.071 -10.395 -4.537 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.794 -11.180 -5.445 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.561 -9.935 -6.798 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -12.182 -11.566 -7.316 1.00 0.00 H new ATOM 491 N ARG A 37 -11.297 -13.987 -2.812 1.00 0.00 N ATOM 492 CA ARG A 37 -10.337 -14.425 -1.807 1.00 0.00 C ATOM 493 C ARG A 37 -9.904 -15.866 -2.059 1.00 0.00 C ATOM 494 O ARG A 37 -10.304 -16.779 -1.338 1.00 0.00 O ATOM 495 CB ARG A 37 -10.939 -14.299 -0.406 1.00 0.00 C ATOM 496 CG ARG A 37 -10.712 -12.941 0.236 1.00 0.00 C ATOM 497 CD ARG A 37 -11.303 -12.879 1.635 1.00 0.00 C ATOM 498 NE ARG A 37 -10.429 -13.501 2.626 1.00 0.00 N ATOM 499 CZ ARG A 37 -10.455 -14.796 2.920 1.00 0.00 C ATOM 500 NH1 ARG A 37 -11.307 -15.602 2.302 1.00 0.00 N ATOM 501 NH2 ARG A 37 -9.628 -15.287 3.834 1.00 0.00 N ATOM 0 H ARG A 37 -12.109 -14.596 -2.913 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.459 -13.783 -1.876 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -12.011 -14.490 -0.462 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -10.511 -15.070 0.235 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -9.643 -12.734 0.282 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.161 -12.165 -0.384 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -11.479 -11.839 1.909 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.272 -13.378 1.642 1.00 0.00 H new ATOM 0 HE ARG A 37 -9.762 -12.908 3.120 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -11.944 -15.228 1.599 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.325 -16.596 2.529 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.971 -14.670 4.312 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.649 -16.282 4.059 1.00 0.00 H new ATOM 515 N ASN A 38 -9.084 -16.061 -3.087 1.00 0.00 N ATOM 516 CA ASN A 38 -8.598 -17.391 -3.435 1.00 0.00 C ATOM 517 C ASN A 38 -8.371 -18.233 -2.182 1.00 0.00 C ATOM 518 O ASN A 38 -8.797 -19.385 -2.110 1.00 0.00 O ATOM 519 CB ASN A 38 -7.298 -17.289 -4.236 1.00 0.00 C ATOM 520 CG ASN A 38 -7.400 -16.297 -5.378 1.00 0.00 C ATOM 521 OD1 ASN A 38 -6.391 -15.781 -5.859 1.00 0.00 O ATOM 522 ND2 ASN A 38 -8.623 -16.026 -5.819 1.00 0.00 N ATOM 0 H ASN A 38 -8.742 -15.315 -3.693 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.357 -17.879 -4.047 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -6.487 -16.992 -3.571 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.041 -18.271 -4.633 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.754 -15.367 -6.586 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.431 -16.477 -5.391 1.00 0.00 H new ATOM 529 N GLY A 39 -7.698 -17.647 -1.196 1.00 0.00 N ATOM 530 CA GLY A 39 -7.427 -18.357 0.040 1.00 0.00 C ATOM 531 C GLY A 39 -7.590 -17.475 1.262 1.00 0.00 C ATOM 532 O GLY A 39 -8.669 -16.934 1.506 1.00 0.00 O ATOM 0 H GLY A 39 -7.336 -16.694 -1.231 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.099 -19.211 0.120 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.411 -18.752 0.014 1.00 0.00 H new ATOM 536 N ARG A 40 -6.517 -17.330 2.033 1.00 0.00 N ATOM 537 CA ARG A 40 -6.548 -16.510 3.238 1.00 0.00 C ATOM 538 C ARG A 40 -5.499 -15.404 3.170 1.00 0.00 C ATOM 539 O ARG A 40 -4.602 -15.437 2.327 1.00 0.00 O ATOM 540 CB ARG A 40 -6.310 -17.376 4.477 1.00 0.00 C ATOM 541 CG ARG A 40 -4.997 -18.142 4.441 1.00 0.00 C ATOM 542 CD ARG A 40 -5.167 -19.509 3.795 1.00 0.00 C ATOM 543 NE ARG A 40 -4.045 -20.396 4.089 1.00 0.00 N ATOM 544 CZ ARG A 40 -4.072 -21.708 3.885 1.00 0.00 C ATOM 545 NH1 ARG A 40 -5.159 -22.282 3.388 1.00 0.00 N ATOM 546 NH2 ARG A 40 -3.011 -22.449 4.177 1.00 0.00 N ATOM 0 H ARG A 40 -5.616 -17.769 1.845 1.00 0.00 H new ATOM 0 HA ARG A 40 -7.534 -16.050 3.308 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.326 -16.741 5.363 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.132 -18.085 4.578 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.254 -17.567 3.888 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.617 -18.262 5.455 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -6.092 -19.965 4.149 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.262 -19.391 2.716 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.194 -19.985 4.472 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.977 -21.716 3.162 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.178 -23.290 3.232 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.173 -22.011 4.559 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -3.034 -23.457 4.020 1.00 0.00 H new ATOM 560 N ILE A 41 -5.619 -14.425 4.061 1.00 0.00 N ATOM 561 CA ILE A 41 -4.682 -13.310 4.101 1.00 0.00 C ATOM 562 C ILE A 41 -3.746 -13.421 5.300 1.00 0.00 C ATOM 563 O ILE A 41 -4.166 -13.796 6.395 1.00 0.00 O ATOM 564 CB ILE A 41 -5.417 -11.958 4.162 1.00 0.00 C ATOM 565 CG1 ILE A 41 -6.608 -11.957 3.201 1.00 0.00 C ATOM 566 CG2 ILE A 41 -4.463 -10.821 3.833 1.00 0.00 C ATOM 567 CD1 ILE A 41 -6.244 -12.359 1.789 1.00 0.00 C ATOM 0 H ILE A 41 -6.356 -14.382 4.765 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.098 -13.356 3.182 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.791 -11.810 5.175 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.370 -12.638 3.579 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.050 -10.961 3.184 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.998 -9.872 3.880 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -3.645 -10.813 4.553 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -4.062 -10.962 2.829 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.136 -12.336 1.163 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.504 -11.664 1.392 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -5.829 -13.367 1.793 1.00 0.00 H new ATOM 579 N ILE A 42 -2.477 -13.092 5.086 1.00 0.00 N ATOM 580 CA ILE A 42 -1.483 -13.152 6.150 1.00 0.00 C ATOM 581 C ILE A 42 -0.917 -11.768 6.453 1.00 0.00 C ATOM 582 O ILE A 42 -0.593 -11.456 7.599 1.00 0.00 O ATOM 583 CB ILE A 42 -0.324 -14.099 5.785 1.00 0.00 C ATOM 584 CG1 ILE A 42 0.276 -13.709 4.433 1.00 0.00 C ATOM 585 CG2 ILE A 42 -0.807 -15.541 5.761 1.00 0.00 C ATOM 586 CD1 ILE A 42 1.542 -14.463 4.094 1.00 0.00 C ATOM 0 H ILE A 42 -2.113 -12.781 4.185 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.991 -13.536 7.035 1.00 0.00 H new ATOM 0 HB ILE A 42 0.453 -14.009 6.544 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.463 -13.886 3.652 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.489 -12.640 4.434 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.023 -16.198 5.502 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.191 -15.812 6.744 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.599 -15.647 5.020 1.00 0.00 H new ATOM 0 HD11 ILE A 42 1.911 -14.135 3.122 1.00 0.00 H new ATOM 0 HD12 ILE A 42 2.298 -14.266 4.855 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.331 -15.532 4.060 1.00 0.00 H new ATOM 598 N SER A 43 -0.803 -10.942 5.418 1.00 0.00 N ATOM 599 CA SER A 43 -0.274 -9.592 5.572 1.00 0.00 C ATOM 600 C SER A 43 -0.420 -8.800 4.276 1.00 0.00 C ATOM 601 O SER A 43 -0.936 -9.308 3.280 1.00 0.00 O ATOM 602 CB SER A 43 1.197 -9.642 5.990 1.00 0.00 C ATOM 603 OG SER A 43 1.929 -10.537 5.172 1.00 0.00 O ATOM 0 H SER A 43 -1.070 -11.184 4.464 1.00 0.00 H new ATOM 0 HA SER A 43 -0.848 -9.090 6.351 1.00 0.00 H new ATOM 0 HB2 SER A 43 1.632 -8.645 5.923 1.00 0.00 H new ATOM 0 HB3 SER A 43 1.272 -9.953 7.032 1.00 0.00 H new ATOM 0 HG SER A 43 2.866 -10.550 5.458 1.00 0.00 H new ATOM 609 N TYR A 44 0.038 -7.553 4.297 1.00 0.00 N ATOM 610 CA TYR A 44 -0.044 -6.689 3.126 1.00 0.00 C ATOM 611 C TYR A 44 1.253 -5.908 2.935 1.00 0.00 C ATOM 612 O TYR A 44 1.991 -5.662 3.889 1.00 0.00 O ATOM 613 CB TYR A 44 -1.221 -5.722 3.260 1.00 0.00 C ATOM 614 CG TYR A 44 -2.563 -6.411 3.357 1.00 0.00 C ATOM 615 CD1 TYR A 44 -2.884 -7.199 4.454 1.00 0.00 C ATOM 616 CD2 TYR A 44 -3.510 -6.272 2.350 1.00 0.00 C ATOM 617 CE1 TYR A 44 -4.109 -7.831 4.546 1.00 0.00 C ATOM 618 CE2 TYR A 44 -4.739 -6.899 2.433 1.00 0.00 C ATOM 619 CZ TYR A 44 -5.033 -7.678 3.533 1.00 0.00 C ATOM 620 OH TYR A 44 -6.255 -8.305 3.621 1.00 0.00 O ATOM 0 H TYR A 44 0.470 -7.118 5.112 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.200 -7.319 2.251 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.074 -5.105 4.146 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.228 -5.050 2.401 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.163 -7.320 5.249 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.282 -5.663 1.487 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -4.342 -8.441 5.406 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -5.464 -6.780 1.642 1.00 0.00 H new ATOM 0 HH TYR A 44 -6.509 -8.396 4.563 1.00 0.00 H new ATOM 630 N THR A 45 1.523 -5.518 1.693 1.00 0.00 N ATOM 631 CA THR A 45 2.729 -4.764 1.374 1.00 0.00 C ATOM 632 C THR A 45 2.387 -3.375 0.850 1.00 0.00 C ATOM 633 O THR A 45 1.760 -3.233 -0.200 1.00 0.00 O ATOM 634 CB THR A 45 3.590 -5.498 0.328 1.00 0.00 C ATOM 635 OG1 THR A 45 3.978 -6.783 0.826 1.00 0.00 O ATOM 636 CG2 THR A 45 4.830 -4.687 -0.018 1.00 0.00 C ATOM 0 H THR A 45 0.923 -5.712 0.892 1.00 0.00 H new ATOM 0 HA THR A 45 3.297 -4.670 2.300 1.00 0.00 H new ATOM 0 HB THR A 45 2.994 -5.624 -0.576 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.179 -7.332 0.972 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.422 -5.225 -0.758 1.00 0.00 H new ATOM 0 HG22 THR A 45 4.531 -3.721 -0.425 1.00 0.00 H new ATOM 0 HG23 THR A 45 5.426 -4.533 0.881 1.00 0.00 H new ATOM 644 N VAL A 46 2.804 -2.350 1.586 1.00 0.00 N ATOM 645 CA VAL A 46 2.543 -0.970 1.194 1.00 0.00 C ATOM 646 C VAL A 46 3.715 -0.390 0.410 1.00 0.00 C ATOM 647 O VAL A 46 4.702 0.061 0.991 1.00 0.00 O ATOM 648 CB VAL A 46 2.270 -0.080 2.421 1.00 0.00 C ATOM 649 CG1 VAL A 46 2.098 1.372 2.001 1.00 0.00 C ATOM 650 CG2 VAL A 46 1.045 -0.574 3.176 1.00 0.00 C ATOM 0 H VAL A 46 3.324 -2.449 2.458 1.00 0.00 H new ATOM 0 HA VAL A 46 1.657 -0.984 0.560 1.00 0.00 H new ATOM 0 HB VAL A 46 3.129 -0.140 3.089 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.906 1.985 2.881 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.007 1.718 1.509 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.258 1.454 1.311 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.867 0.067 4.040 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.176 -0.546 2.518 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.213 -1.597 3.512 1.00 0.00 H new ATOM 660 N VAL A 47 3.599 -0.406 -0.914 1.00 0.00 N ATOM 661 CA VAL A 47 4.648 0.120 -1.779 1.00 0.00 C ATOM 662 C VAL A 47 4.433 1.602 -2.066 1.00 0.00 C ATOM 663 O VAL A 47 3.467 1.983 -2.728 1.00 0.00 O ATOM 664 CB VAL A 47 4.711 -0.646 -3.114 1.00 0.00 C ATOM 665 CG1 VAL A 47 5.741 -0.019 -4.042 1.00 0.00 C ATOM 666 CG2 VAL A 47 5.025 -2.115 -2.871 1.00 0.00 C ATOM 0 H VAL A 47 2.789 -0.777 -1.411 1.00 0.00 H new ATOM 0 HA VAL A 47 5.591 -0.011 -1.248 1.00 0.00 H new ATOM 0 HB VAL A 47 3.736 -0.581 -3.596 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.771 -0.574 -4.980 1.00 0.00 H new ATOM 0 HG12 VAL A 47 5.468 1.017 -4.242 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.723 -0.051 -3.570 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.066 -2.641 -3.825 1.00 0.00 H new ATOM 0 HG22 VAL A 47 5.987 -2.203 -2.367 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.247 -2.555 -2.247 1.00 0.00 H new ATOM 676 N PHE A 48 5.339 2.434 -1.564 1.00 0.00 N ATOM 677 CA PHE A 48 5.249 3.875 -1.766 1.00 0.00 C ATOM 678 C PHE A 48 6.449 4.390 -2.555 1.00 0.00 C ATOM 679 O PHE A 48 7.572 3.919 -2.377 1.00 0.00 O ATOM 680 CB PHE A 48 5.163 4.596 -0.418 1.00 0.00 C ATOM 681 CG PHE A 48 6.342 4.336 0.476 1.00 0.00 C ATOM 682 CD1 PHE A 48 6.538 3.085 1.039 1.00 0.00 C ATOM 683 CD2 PHE A 48 7.253 5.342 0.753 1.00 0.00 C ATOM 684 CE1 PHE A 48 7.621 2.844 1.863 1.00 0.00 C ATOM 685 CE2 PHE A 48 8.338 5.107 1.576 1.00 0.00 C ATOM 686 CZ PHE A 48 8.523 3.855 2.131 1.00 0.00 C ATOM 0 H PHE A 48 6.144 2.135 -1.014 1.00 0.00 H new ATOM 0 HA PHE A 48 4.345 4.080 -2.339 1.00 0.00 H new ATOM 0 HB2 PHE A 48 5.079 5.669 -0.593 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.253 4.285 0.094 1.00 0.00 H new ATOM 0 HD1 PHE A 48 5.837 2.290 0.832 1.00 0.00 H new ATOM 0 HD2 PHE A 48 7.114 6.322 0.321 1.00 0.00 H new ATOM 0 HE1 PHE A 48 7.762 1.865 2.297 1.00 0.00 H new ATOM 0 HE2 PHE A 48 9.040 5.900 1.785 1.00 0.00 H new ATOM 0 HZ PHE A 48 9.371 3.668 2.773 1.00 0.00 H new ATOM 696 N ARG A 49 6.202 5.360 -3.430 1.00 0.00 N ATOM 697 CA ARG A 49 7.260 5.938 -4.248 1.00 0.00 C ATOM 698 C ARG A 49 6.871 7.331 -4.736 1.00 0.00 C ATOM 699 O ARG A 49 5.696 7.610 -4.974 1.00 0.00 O ATOM 700 CB ARG A 49 7.561 5.033 -5.444 1.00 0.00 C ATOM 701 CG ARG A 49 8.439 5.688 -6.498 1.00 0.00 C ATOM 702 CD ARG A 49 8.319 4.982 -7.840 1.00 0.00 C ATOM 703 NE ARG A 49 6.967 5.068 -8.385 1.00 0.00 N ATOM 704 CZ ARG A 49 6.668 4.803 -9.652 1.00 0.00 C ATOM 705 NH1 ARG A 49 7.620 4.438 -10.499 1.00 0.00 N ATOM 706 NH2 ARG A 49 5.413 4.903 -10.073 1.00 0.00 N ATOM 0 H ARG A 49 5.278 5.762 -3.590 1.00 0.00 H new ATOM 0 HA ARG A 49 8.155 6.024 -3.632 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.050 4.126 -5.088 1.00 0.00 H new ATOM 0 HB3 ARG A 49 6.621 4.729 -5.904 1.00 0.00 H new ATOM 0 HG2 ARG A 49 8.156 6.735 -6.610 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.478 5.672 -6.169 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.023 5.423 -8.546 1.00 0.00 H new ATOM 0 HD3 ARG A 49 8.597 3.934 -7.725 1.00 0.00 H new ATOM 0 HE ARG A 49 6.211 5.347 -7.759 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.585 4.360 -10.179 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.387 4.235 -11.471 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.678 5.183 -9.424 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.184 4.700 -11.046 1.00 0.00 H new ATOM 720 N ASP A 50 7.865 8.200 -4.882 1.00 0.00 N ATOM 721 CA ASP A 50 7.627 9.563 -5.342 1.00 0.00 C ATOM 722 C ASP A 50 7.476 9.607 -6.860 1.00 0.00 C ATOM 723 O ASP A 50 8.447 9.425 -7.595 1.00 0.00 O ATOM 724 CB ASP A 50 8.772 10.479 -4.905 1.00 0.00 C ATOM 725 CG ASP A 50 9.400 10.037 -3.598 1.00 0.00 C ATOM 726 OD1 ASP A 50 9.753 8.845 -3.483 1.00 0.00 O ATOM 727 OD2 ASP A 50 9.537 10.882 -2.689 1.00 0.00 O ATOM 0 H ASP A 50 8.843 7.985 -4.688 1.00 0.00 H new ATOM 0 HA ASP A 50 6.698 9.914 -4.892 1.00 0.00 H new ATOM 0 HB2 ASP A 50 9.535 10.499 -5.683 1.00 0.00 H new ATOM 0 HB3 ASP A 50 8.399 11.498 -4.799 1.00 0.00 H new ATOM 732 N ILE A 51 6.254 9.847 -7.321 1.00 0.00 N ATOM 733 CA ILE A 51 5.976 9.913 -8.750 1.00 0.00 C ATOM 734 C ILE A 51 6.882 10.928 -9.439 1.00 0.00 C ATOM 735 O ILE A 51 6.980 10.956 -10.665 1.00 0.00 O ATOM 736 CB ILE A 51 4.507 10.286 -9.022 1.00 0.00 C ATOM 737 CG1 ILE A 51 4.183 11.651 -8.411 1.00 0.00 C ATOM 738 CG2 ILE A 51 3.578 9.218 -8.466 1.00 0.00 C ATOM 739 CD1 ILE A 51 2.924 12.279 -8.967 1.00 0.00 C ATOM 0 H ILE A 51 5.440 9.999 -6.725 1.00 0.00 H new ATOM 0 HA ILE A 51 6.171 8.920 -9.155 1.00 0.00 H new ATOM 0 HB ILE A 51 4.357 10.346 -10.100 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.078 11.541 -7.332 1.00 0.00 H new ATOM 0 HG13 ILE A 51 5.022 12.325 -8.583 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.543 9.496 -8.666 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.796 8.262 -8.943 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.728 9.129 -7.390 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.757 13.244 -8.488 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.033 12.421 -10.042 1.00 0.00 H new ATOM 0 HD13 ILE A 51 2.074 11.625 -8.772 1.00 0.00 H new ATOM 751 N ASN A 52 7.544 11.760 -8.641 1.00 0.00 N ATOM 752 CA ASN A 52 8.444 12.776 -9.174 1.00 0.00 C ATOM 753 C ASN A 52 9.870 12.242 -9.274 1.00 0.00 C ATOM 754 O ASN A 52 10.665 12.715 -10.086 1.00 0.00 O ATOM 755 CB ASN A 52 8.417 14.025 -8.291 1.00 0.00 C ATOM 756 CG ASN A 52 7.005 14.459 -7.947 1.00 0.00 C ATOM 757 OD1 ASN A 52 6.435 15.332 -8.601 1.00 0.00 O ATOM 758 ND2 ASN A 52 6.433 13.849 -6.915 1.00 0.00 N ATOM 0 H ASN A 52 7.474 11.750 -7.623 1.00 0.00 H new ATOM 0 HA ASN A 52 8.102 13.039 -10.175 1.00 0.00 H new ATOM 0 HB2 ASN A 52 8.968 13.829 -7.371 1.00 0.00 H new ATOM 0 HB3 ASN A 52 8.930 14.839 -8.802 1.00 0.00 H new ATOM 0 HD21 ASN A 52 5.484 14.099 -6.637 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.943 13.130 -6.401 1.00 0.00 H new ATOM 765 N SER A 53 10.185 11.253 -8.444 1.00 0.00 N ATOM 766 CA SER A 53 11.515 10.656 -8.437 1.00 0.00 C ATOM 767 C SER A 53 11.451 9.181 -8.822 1.00 0.00 C ATOM 768 O SER A 53 10.374 8.642 -9.075 1.00 0.00 O ATOM 769 CB SER A 53 12.157 10.806 -7.056 1.00 0.00 C ATOM 770 OG SER A 53 12.901 12.009 -6.968 1.00 0.00 O ATOM 0 H SER A 53 9.537 10.848 -7.768 1.00 0.00 H new ATOM 0 HA SER A 53 12.125 11.180 -9.173 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.383 10.796 -6.289 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.810 9.956 -6.861 1.00 0.00 H new ATOM 0 HG SER A 53 13.300 12.082 -6.076 1.00 0.00 H new ATOM 776 N GLN A 54 12.612 8.536 -8.864 1.00 0.00 N ATOM 777 CA GLN A 54 12.689 7.124 -9.219 1.00 0.00 C ATOM 778 C GLN A 54 13.055 6.276 -8.006 1.00 0.00 C ATOM 779 O GLN A 54 13.591 5.177 -8.144 1.00 0.00 O ATOM 780 CB GLN A 54 13.715 6.911 -10.333 1.00 0.00 C ATOM 781 CG GLN A 54 13.565 5.581 -11.053 1.00 0.00 C ATOM 782 CD GLN A 54 12.122 5.259 -11.391 1.00 0.00 C ATOM 783 OE1 GLN A 54 11.583 5.742 -12.387 1.00 0.00 O ATOM 784 NE2 GLN A 54 11.488 4.440 -10.560 1.00 0.00 N ATOM 0 H GLN A 54 13.512 8.969 -8.657 1.00 0.00 H new ATOM 0 HA GLN A 54 11.707 6.812 -9.575 1.00 0.00 H new ATOM 0 HB2 GLN A 54 13.624 7.719 -11.058 1.00 0.00 H new ATOM 0 HB3 GLN A 54 14.717 6.974 -9.909 1.00 0.00 H new ATOM 0 HG2 GLN A 54 14.153 5.601 -11.970 1.00 0.00 H new ATOM 0 HG3 GLN A 54 13.974 4.786 -10.429 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.974 4.063 -9.746 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.515 4.188 -10.735 1.00 0.00 H new ATOM 793 N GLN A 55 12.764 6.796 -6.817 1.00 0.00 N ATOM 794 CA GLN A 55 13.064 6.086 -5.580 1.00 0.00 C ATOM 795 C GLN A 55 11.883 5.225 -5.145 1.00 0.00 C ATOM 796 O GLN A 55 10.933 5.719 -4.538 1.00 0.00 O ATOM 797 CB GLN A 55 13.422 7.079 -4.472 1.00 0.00 C ATOM 798 CG GLN A 55 13.582 6.433 -3.105 1.00 0.00 C ATOM 799 CD GLN A 55 14.651 5.358 -3.089 1.00 0.00 C ATOM 800 OE1 GLN A 55 14.296 4.163 -3.546 1.00 0.00 O flip ATOM 801 NE2 GLN A 55 15.783 5.599 -2.670 1.00 0.00 N flip ATOM 0 H GLN A 55 12.321 7.705 -6.685 1.00 0.00 H new ATOM 0 HA GLN A 55 13.917 5.433 -5.764 1.00 0.00 H new ATOM 0 HB2 GLN A 55 14.350 7.586 -4.736 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.646 7.843 -4.415 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.832 7.200 -2.372 1.00 0.00 H new ATOM 0 HG3 GLN A 55 12.630 5.998 -2.799 1.00 0.00 H new ATOM 0 HE21 GLN A 55 16.012 6.532 -2.328 1.00 0.00 H new ATOM 0 HE22 GLN A 55 16.492 4.866 -2.665 1.00 0.00 H new ATOM 810 N GLU A 56 11.949 3.936 -5.461 1.00 0.00 N ATOM 811 CA GLU A 56 10.883 3.007 -5.104 1.00 0.00 C ATOM 812 C GLU A 56 11.097 2.447 -3.700 1.00 0.00 C ATOM 813 O GLU A 56 12.225 2.153 -3.302 1.00 0.00 O ATOM 814 CB GLU A 56 10.813 1.862 -6.116 1.00 0.00 C ATOM 815 CG GLU A 56 9.480 1.133 -6.120 1.00 0.00 C ATOM 816 CD GLU A 56 9.441 -0.006 -7.120 1.00 0.00 C ATOM 817 OE1 GLU A 56 10.196 0.051 -8.113 1.00 0.00 O ATOM 818 OE2 GLU A 56 8.655 -0.954 -6.911 1.00 0.00 O ATOM 0 H GLU A 56 12.729 3.511 -5.963 1.00 0.00 H new ATOM 0 HA GLU A 56 9.940 3.553 -5.119 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.004 2.258 -7.113 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.607 1.148 -5.899 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.281 0.742 -5.122 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.684 1.841 -6.350 1.00 0.00 H new ATOM 825 N LEU A 57 10.007 2.302 -2.955 1.00 0.00 N ATOM 826 CA LEU A 57 10.074 1.778 -1.595 1.00 0.00 C ATOM 827 C LEU A 57 8.763 1.101 -1.208 1.00 0.00 C ATOM 828 O LEU A 57 7.744 1.274 -1.875 1.00 0.00 O ATOM 829 CB LEU A 57 10.391 2.903 -0.609 1.00 0.00 C ATOM 830 CG LEU A 57 11.552 3.822 -0.991 1.00 0.00 C ATOM 831 CD1 LEU A 57 11.482 5.124 -0.207 1.00 0.00 C ATOM 832 CD2 LEU A 57 12.884 3.126 -0.754 1.00 0.00 C ATOM 0 H LEU A 57 9.066 2.540 -3.269 1.00 0.00 H new ATOM 0 HA LEU A 57 10.871 1.035 -1.557 1.00 0.00 H new ATOM 0 HB2 LEU A 57 9.496 3.513 -0.485 1.00 0.00 H new ATOM 0 HB3 LEU A 57 10.610 2.458 0.361 1.00 0.00 H new ATOM 0 HG LEU A 57 11.471 4.056 -2.053 1.00 0.00 H new ATOM 0 HD11 LEU A 57 12.316 5.765 -0.492 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.543 5.631 -0.427 1.00 0.00 H new ATOM 0 HD13 LEU A 57 11.537 4.909 0.860 1.00 0.00 H new ATOM 0 HD21 LEU A 57 13.699 3.795 -1.031 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.974 2.862 0.300 1.00 0.00 H new ATOM 0 HD23 LEU A 57 12.935 2.222 -1.360 1.00 0.00 H new ATOM 844 N GLN A 58 8.798 0.333 -0.124 1.00 0.00 N ATOM 845 CA GLN A 58 7.611 -0.368 0.353 1.00 0.00 C ATOM 846 C GLN A 58 7.790 -0.820 1.799 1.00 0.00 C ATOM 847 O GLN A 58 8.891 -0.763 2.345 1.00 0.00 O ATOM 848 CB GLN A 58 7.314 -1.576 -0.537 1.00 0.00 C ATOM 849 CG GLN A 58 8.350 -2.682 -0.428 1.00 0.00 C ATOM 850 CD GLN A 58 8.377 -3.580 -1.650 1.00 0.00 C ATOM 851 OE1 GLN A 58 7.553 -4.484 -1.788 1.00 0.00 O ATOM 852 NE2 GLN A 58 9.327 -3.334 -2.545 1.00 0.00 N ATOM 0 H GLN A 58 9.634 0.180 0.440 1.00 0.00 H new ATOM 0 HA GLN A 58 6.770 0.323 0.308 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.336 -1.979 -0.274 1.00 0.00 H new ATOM 0 HB3 GLN A 58 7.254 -1.246 -1.574 1.00 0.00 H new ATOM 0 HG2 GLN A 58 9.336 -2.239 -0.286 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.141 -3.284 0.456 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.989 -2.574 -2.390 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.394 -3.905 -3.387 1.00 0.00 H new ATOM 861 N ASN A 59 6.700 -1.268 2.413 1.00 0.00 N ATOM 862 CA ASN A 59 6.737 -1.729 3.797 1.00 0.00 C ATOM 863 C ASN A 59 5.866 -2.967 3.981 1.00 0.00 C ATOM 864 O ASN A 59 5.150 -3.377 3.066 1.00 0.00 O ATOM 865 CB ASN A 59 6.270 -0.617 4.739 1.00 0.00 C ATOM 866 CG ASN A 59 7.358 0.401 5.017 1.00 0.00 C ATOM 867 OD1 ASN A 59 7.155 1.604 4.853 1.00 0.00 O ATOM 868 ND2 ASN A 59 8.523 -0.078 5.439 1.00 0.00 N ATOM 0 H ASN A 59 5.780 -1.322 1.975 1.00 0.00 H new ATOM 0 HA ASN A 59 7.767 -1.992 4.039 1.00 0.00 H new ATOM 0 HB2 ASN A 59 5.408 -0.113 4.302 1.00 0.00 H new ATOM 0 HB3 ASN A 59 5.939 -1.057 5.680 1.00 0.00 H new ATOM 0 HD21 ASN A 59 9.293 0.559 5.641 1.00 0.00 H new ATOM 0 HD22 ASN A 59 8.647 -1.083 5.561 1.00 0.00 H new ATOM 875 N ILE A 60 5.931 -3.558 5.169 1.00 0.00 N ATOM 876 CA ILE A 60 5.146 -4.748 5.474 1.00 0.00 C ATOM 877 C ILE A 60 4.487 -4.636 6.844 1.00 0.00 C ATOM 878 O ILE A 60 5.115 -4.214 7.816 1.00 0.00 O ATOM 879 CB ILE A 60 6.015 -6.019 5.437 1.00 0.00 C ATOM 880 CG1 ILE A 60 6.747 -6.125 4.097 1.00 0.00 C ATOM 881 CG2 ILE A 60 5.158 -7.253 5.677 1.00 0.00 C ATOM 882 CD1 ILE A 60 7.655 -7.330 3.998 1.00 0.00 C ATOM 0 H ILE A 60 6.519 -3.232 5.936 1.00 0.00 H new ATOM 0 HA ILE A 60 4.374 -4.822 4.708 1.00 0.00 H new ATOM 0 HB ILE A 60 6.759 -5.956 6.231 1.00 0.00 H new ATOM 0 HG12 ILE A 60 6.012 -6.167 3.293 1.00 0.00 H new ATOM 0 HG13 ILE A 60 7.337 -5.222 3.942 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.786 -8.143 5.648 1.00 0.00 H new ATOM 0 HG22 ILE A 60 4.679 -7.179 6.653 1.00 0.00 H new ATOM 0 HG23 ILE A 60 4.395 -7.322 4.902 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.140 -7.341 3.022 1.00 0.00 H new ATOM 0 HD12 ILE A 60 8.413 -7.280 4.780 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.067 -8.240 4.121 1.00 0.00 H new ATOM 894 N THR A 61 3.216 -5.019 6.917 1.00 0.00 N ATOM 895 CA THR A 61 2.471 -4.963 8.168 1.00 0.00 C ATOM 896 C THR A 61 1.336 -5.980 8.178 1.00 0.00 C ATOM 897 O THR A 61 0.676 -6.200 7.162 1.00 0.00 O ATOM 898 CB THR A 61 1.888 -3.558 8.412 1.00 0.00 C ATOM 899 OG1 THR A 61 1.225 -3.516 9.680 1.00 0.00 O ATOM 900 CG2 THR A 61 0.911 -3.178 7.310 1.00 0.00 C ATOM 0 H THR A 61 2.681 -5.372 6.123 1.00 0.00 H new ATOM 0 HA THR A 61 3.175 -5.200 8.966 1.00 0.00 H new ATOM 0 HB THR A 61 2.710 -2.842 8.409 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.859 -2.619 9.828 1.00 0.00 H new ATOM 0 HG21 THR A 61 0.513 -2.182 7.504 1.00 0.00 H new ATOM 0 HG22 THR A 61 1.426 -3.182 6.350 1.00 0.00 H new ATOM 0 HG23 THR A 61 0.093 -3.898 7.285 1.00 0.00 H new ATOM 908 N THR A 62 1.111 -6.598 9.334 1.00 0.00 N ATOM 909 CA THR A 62 0.056 -7.593 9.476 1.00 0.00 C ATOM 910 C THR A 62 -1.294 -6.930 9.727 1.00 0.00 C ATOM 911 O THR A 62 -2.227 -7.566 10.218 1.00 0.00 O ATOM 912 CB THR A 62 0.356 -8.570 10.628 1.00 0.00 C ATOM 913 OG1 THR A 62 0.427 -7.859 11.869 1.00 0.00 O ATOM 914 CG2 THR A 62 1.665 -9.307 10.385 1.00 0.00 C ATOM 0 H THR A 62 1.646 -6.426 10.185 1.00 0.00 H new ATOM 0 HA THR A 62 0.018 -8.148 8.539 1.00 0.00 H new ATOM 0 HB THR A 62 -0.452 -9.300 10.674 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.616 -8.488 12.596 1.00 0.00 H new ATOM 0 HG21 THR A 62 1.856 -9.991 11.212 1.00 0.00 H new ATOM 0 HG22 THR A 62 1.598 -9.871 9.455 1.00 0.00 H new ATOM 0 HG23 THR A 62 2.480 -8.587 10.314 1.00 0.00 H new ATOM 922 N ASP A 63 -1.392 -5.650 9.385 1.00 0.00 N ATOM 923 CA ASP A 63 -2.629 -4.901 9.572 1.00 0.00 C ATOM 924 C ASP A 63 -3.118 -4.322 8.248 1.00 0.00 C ATOM 925 O ASP A 63 -2.355 -4.206 7.288 1.00 0.00 O ATOM 926 CB ASP A 63 -2.422 -3.777 10.588 1.00 0.00 C ATOM 927 CG ASP A 63 -2.663 -4.234 12.014 1.00 0.00 C ATOM 928 OD1 ASP A 63 -3.817 -4.586 12.338 1.00 0.00 O ATOM 929 OD2 ASP A 63 -1.697 -4.242 12.805 1.00 0.00 O ATOM 0 H ASP A 63 -0.629 -5.109 8.977 1.00 0.00 H new ATOM 0 HA ASP A 63 -3.386 -5.587 9.951 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.406 -3.394 10.499 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.095 -2.952 10.355 1.00 0.00 H new ATOM 934 N THR A 64 -4.397 -3.961 8.202 1.00 0.00 N ATOM 935 CA THR A 64 -4.989 -3.397 6.996 1.00 0.00 C ATOM 936 C THR A 64 -4.688 -1.907 6.881 1.00 0.00 C ATOM 937 O THR A 64 -5.354 -1.184 6.139 1.00 0.00 O ATOM 938 CB THR A 64 -6.516 -3.603 6.970 1.00 0.00 C ATOM 939 OG1 THR A 64 -7.028 -3.636 8.307 1.00 0.00 O ATOM 940 CG2 THR A 64 -6.875 -4.895 6.252 1.00 0.00 C ATOM 0 H THR A 64 -5.042 -4.050 8.987 1.00 0.00 H new ATOM 0 HA THR A 64 -4.544 -3.922 6.151 1.00 0.00 H new ATOM 0 HB THR A 64 -6.964 -2.769 6.430 1.00 0.00 H new ATOM 0 HG1 THR A 64 -7.999 -3.765 8.282 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.958 -5.019 6.246 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.509 -4.855 5.226 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.416 -5.738 6.769 1.00 0.00 H new ATOM 948 N ARG A 65 -3.679 -1.453 7.618 1.00 0.00 N ATOM 949 CA ARG A 65 -3.290 -0.048 7.599 1.00 0.00 C ATOM 950 C ARG A 65 -1.775 0.098 7.711 1.00 0.00 C ATOM 951 O ARG A 65 -1.066 -0.873 7.977 1.00 0.00 O ATOM 952 CB ARG A 65 -3.972 0.708 8.740 1.00 0.00 C ATOM 953 CG ARG A 65 -3.563 0.224 10.122 1.00 0.00 C ATOM 954 CD ARG A 65 -2.352 0.983 10.643 1.00 0.00 C ATOM 955 NE ARG A 65 -1.815 0.385 11.862 1.00 0.00 N ATOM 956 CZ ARG A 65 -0.608 0.659 12.344 1.00 0.00 C ATOM 957 NH1 ARG A 65 0.183 1.516 11.713 1.00 0.00 N ATOM 958 NH2 ARG A 65 -0.189 0.074 13.459 1.00 0.00 N ATOM 0 H ARG A 65 -3.116 -2.038 8.236 1.00 0.00 H new ATOM 0 HA ARG A 65 -3.610 0.379 6.648 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.738 1.769 8.652 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -5.052 0.610 8.635 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.396 0.348 10.813 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -3.337 -0.842 10.083 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -1.578 1.001 9.876 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.630 2.019 10.839 1.00 0.00 H new ATOM 0 HE ARG A 65 -2.398 -0.279 12.371 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -0.135 1.967 10.855 1.00 0.00 H new ATOM 0 HH12 ARG A 65 1.109 1.724 12.086 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -0.794 -0.587 13.947 1.00 0.00 H new ATOM 0 HH22 ARG A 65 0.738 0.285 13.828 1.00 0.00 H new ATOM 972 N PHE A 66 -1.287 1.316 7.505 1.00 0.00 N ATOM 973 CA PHE A 66 0.144 1.589 7.582 1.00 0.00 C ATOM 974 C PHE A 66 0.418 3.087 7.481 1.00 0.00 C ATOM 975 O PHE A 66 -0.393 3.844 6.945 1.00 0.00 O ATOM 976 CB PHE A 66 0.886 0.847 6.469 1.00 0.00 C ATOM 977 CG PHE A 66 2.378 0.845 6.641 1.00 0.00 C ATOM 978 CD1 PHE A 66 3.005 -0.164 7.354 1.00 0.00 C ATOM 979 CD2 PHE A 66 3.154 1.853 6.092 1.00 0.00 C ATOM 980 CE1 PHE A 66 4.378 -0.169 7.514 1.00 0.00 C ATOM 981 CE2 PHE A 66 4.527 1.853 6.248 1.00 0.00 C ATOM 982 CZ PHE A 66 5.140 0.842 6.962 1.00 0.00 C ATOM 0 H PHE A 66 -1.861 2.130 7.284 1.00 0.00 H new ATOM 0 HA PHE A 66 0.505 1.236 8.548 1.00 0.00 H new ATOM 0 HB2 PHE A 66 0.531 -0.183 6.431 1.00 0.00 H new ATOM 0 HB3 PHE A 66 0.639 1.305 5.511 1.00 0.00 H new ATOM 0 HD1 PHE A 66 2.414 -0.956 7.790 1.00 0.00 H new ATOM 0 HD2 PHE A 66 2.680 2.648 5.536 1.00 0.00 H new ATOM 0 HE1 PHE A 66 4.854 -0.963 8.070 1.00 0.00 H new ATOM 0 HE2 PHE A 66 5.120 2.643 5.812 1.00 0.00 H new ATOM 0 HZ PHE A 66 6.213 0.842 7.088 1.00 0.00 H new ATOM 992 N THR A 67 1.567 3.509 7.999 1.00 0.00 N ATOM 993 CA THR A 67 1.949 4.915 7.969 1.00 0.00 C ATOM 994 C THR A 67 3.371 5.088 7.448 1.00 0.00 C ATOM 995 O THR A 67 4.338 4.727 8.121 1.00 0.00 O ATOM 996 CB THR A 67 1.844 5.555 9.367 1.00 0.00 C ATOM 997 OG1 THR A 67 0.496 5.475 9.843 1.00 0.00 O ATOM 998 CG2 THR A 67 2.289 7.009 9.330 1.00 0.00 C ATOM 0 H THR A 67 2.250 2.896 8.445 1.00 0.00 H new ATOM 0 HA THR A 67 1.255 5.417 7.295 1.00 0.00 H new ATOM 0 HB THR A 67 2.500 5.007 10.044 1.00 0.00 H new ATOM 0 HG1 THR A 67 0.467 5.734 10.788 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.206 7.440 10.328 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.325 7.064 8.995 1.00 0.00 H new ATOM 0 HG23 THR A 67 1.655 7.566 8.640 1.00 0.00 H new ATOM 1006 N LEU A 68 3.493 5.642 6.247 1.00 0.00 N ATOM 1007 CA LEU A 68 4.798 5.864 5.636 1.00 0.00 C ATOM 1008 C LEU A 68 5.638 6.820 6.477 1.00 0.00 C ATOM 1009 O LEU A 68 5.163 7.373 7.470 1.00 0.00 O ATOM 1010 CB LEU A 68 4.633 6.423 4.222 1.00 0.00 C ATOM 1011 CG LEU A 68 4.084 5.451 3.176 1.00 0.00 C ATOM 1012 CD1 LEU A 68 4.483 4.023 3.514 1.00 0.00 C ATOM 1013 CD2 LEU A 68 2.571 5.575 3.076 1.00 0.00 C ATOM 0 H LEU A 68 2.704 5.946 5.677 1.00 0.00 H new ATOM 0 HA LEU A 68 5.314 4.905 5.584 1.00 0.00 H new ATOM 0 HB2 LEU A 68 3.970 7.287 4.269 1.00 0.00 H new ATOM 0 HB3 LEU A 68 5.603 6.784 3.880 1.00 0.00 H new ATOM 0 HG LEU A 68 4.514 5.707 2.208 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.084 3.345 2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.570 3.944 3.534 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.082 3.755 4.491 1.00 0.00 H new ATOM 0 HD21 LEU A 68 2.197 4.876 2.327 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.122 5.345 4.042 1.00 0.00 H new ATOM 0 HD23 LEU A 68 2.308 6.592 2.786 1.00 0.00 H new ATOM 1025 N THR A 69 6.890 7.013 6.073 1.00 0.00 N ATOM 1026 CA THR A 69 7.796 7.902 6.788 1.00 0.00 C ATOM 1027 C THR A 69 8.966 8.320 5.905 1.00 0.00 C ATOM 1028 O THR A 69 9.168 7.770 4.824 1.00 0.00 O ATOM 1029 CB THR A 69 8.343 7.238 8.066 1.00 0.00 C ATOM 1030 OG1 THR A 69 9.166 6.118 7.722 1.00 0.00 O ATOM 1031 CG2 THR A 69 7.206 6.781 8.967 1.00 0.00 C ATOM 0 H THR A 69 7.299 6.565 5.253 1.00 0.00 H new ATOM 0 HA THR A 69 7.220 8.785 7.065 1.00 0.00 H new ATOM 0 HB THR A 69 8.939 7.974 8.605 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.511 5.702 8.540 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.616 6.315 9.863 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.599 7.640 9.251 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.587 6.059 8.434 1.00 0.00 H new ATOM 1039 N GLY A 70 9.736 9.298 6.375 1.00 0.00 N ATOM 1040 CA GLY A 70 10.878 9.773 5.615 1.00 0.00 C ATOM 1041 C GLY A 70 10.482 10.333 4.264 1.00 0.00 C ATOM 1042 O GLY A 70 11.224 10.204 3.289 1.00 0.00 O ATOM 0 H GLY A 70 9.589 9.769 7.268 1.00 0.00 H new ATOM 0 HA2 GLY A 70 11.396 10.543 6.186 1.00 0.00 H new ATOM 0 HA3 GLY A 70 11.582 8.953 5.473 1.00 0.00 H new ATOM 1046 N LEU A 71 9.310 10.955 4.203 1.00 0.00 N ATOM 1047 CA LEU A 71 8.816 11.537 2.960 1.00 0.00 C ATOM 1048 C LEU A 71 8.996 13.051 2.957 1.00 0.00 C ATOM 1049 O LEU A 71 9.245 13.660 3.998 1.00 0.00 O ATOM 1050 CB LEU A 71 7.340 11.187 2.761 1.00 0.00 C ATOM 1051 CG LEU A 71 6.913 9.793 3.222 1.00 0.00 C ATOM 1052 CD1 LEU A 71 5.399 9.711 3.342 1.00 0.00 C ATOM 1053 CD2 LEU A 71 7.432 8.732 2.262 1.00 0.00 C ATOM 0 H LEU A 71 8.684 11.069 5.000 1.00 0.00 H new ATOM 0 HA LEU A 71 9.396 11.120 2.137 1.00 0.00 H new ATOM 0 HB2 LEU A 71 6.738 11.924 3.292 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.103 11.286 1.702 1.00 0.00 H new ATOM 0 HG LEU A 71 7.345 9.608 4.205 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.114 8.712 3.671 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.051 10.445 4.068 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.945 9.917 2.372 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.119 7.746 2.605 1.00 0.00 H new ATOM 0 HD22 LEU A 71 7.029 8.914 1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 71 8.521 8.775 2.226 1.00 0.00 H new ATOM 1065 N LYS A 72 8.867 13.655 1.781 1.00 0.00 N ATOM 1066 CA LYS A 72 9.012 15.099 1.642 1.00 0.00 C ATOM 1067 C LYS A 72 7.648 15.784 1.624 1.00 0.00 C ATOM 1068 O LYS A 72 6.677 15.271 1.068 1.00 0.00 O ATOM 1069 CB LYS A 72 9.779 15.435 0.361 1.00 0.00 C ATOM 1070 CG LYS A 72 9.735 16.908 -0.007 1.00 0.00 C ATOM 1071 CD LYS A 72 9.976 17.120 -1.492 1.00 0.00 C ATOM 1072 CE LYS A 72 11.461 17.195 -1.811 1.00 0.00 C ATOM 1073 NZ LYS A 72 11.968 18.594 -1.760 1.00 0.00 N ATOM 0 H LYS A 72 8.662 13.166 0.909 1.00 0.00 H new ATOM 0 HA LYS A 72 9.573 15.466 2.501 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.819 15.130 0.480 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.367 14.851 -0.462 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.766 17.324 0.268 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.488 17.449 0.566 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.523 16.304 -2.055 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.487 18.040 -1.813 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.016 16.581 -1.102 1.00 0.00 H new ATOM 0 HE3 LYS A 72 11.641 16.779 -2.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.984 18.603 -1.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 11.456 19.174 -2.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.819 18.983 -0.807 1.00 0.00 H new ATOM 1087 N PRO A 73 7.573 16.970 2.246 1.00 0.00 N ATOM 1088 CA PRO A 73 6.334 17.750 2.313 1.00 0.00 C ATOM 1089 C PRO A 73 5.936 18.325 0.958 1.00 0.00 C ATOM 1090 O PRO A 73 6.792 18.635 0.129 1.00 0.00 O ATOM 1091 CB PRO A 73 6.677 18.877 3.291 1.00 0.00 C ATOM 1092 CG PRO A 73 8.157 19.020 3.200 1.00 0.00 C ATOM 1093 CD PRO A 73 8.691 17.641 2.930 1.00 0.00 C ATOM 0 HA PRO A 73 5.485 17.140 2.623 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.172 19.804 3.019 1.00 0.00 H new ATOM 0 HB3 PRO A 73 6.365 18.629 4.306 1.00 0.00 H new ATOM 0 HG2 PRO A 73 8.434 19.709 2.402 1.00 0.00 H new ATOM 0 HG3 PRO A 73 8.568 19.423 4.126 1.00 0.00 H new ATOM 0 HD2 PRO A 73 9.584 17.671 2.306 1.00 0.00 H new ATOM 0 HD3 PRO A 73 8.964 17.128 3.852 1.00 0.00 H new ATOM 1101 N ASP A 74 4.633 18.465 0.739 1.00 0.00 N ATOM 1102 CA ASP A 74 4.122 19.004 -0.516 1.00 0.00 C ATOM 1103 C ASP A 74 4.698 18.246 -1.707 1.00 0.00 C ATOM 1104 O ASP A 74 5.239 18.846 -2.636 1.00 0.00 O ATOM 1105 CB ASP A 74 4.457 20.491 -0.631 1.00 0.00 C ATOM 1106 CG ASP A 74 3.803 21.141 -1.834 1.00 0.00 C ATOM 1107 OD1 ASP A 74 2.556 21.131 -1.909 1.00 0.00 O ATOM 1108 OD2 ASP A 74 4.537 21.661 -2.700 1.00 0.00 O ATOM 0 H ASP A 74 3.911 18.213 1.414 1.00 0.00 H new ATOM 0 HA ASP A 74 3.039 18.883 -0.521 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.135 21.004 0.275 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.538 20.613 -0.699 1.00 0.00 H new ATOM 1113 N THR A 75 4.578 16.922 -1.674 1.00 0.00 N ATOM 1114 CA THR A 75 5.089 16.081 -2.750 1.00 0.00 C ATOM 1115 C THR A 75 4.233 14.832 -2.925 1.00 0.00 C ATOM 1116 O THR A 75 3.966 14.110 -1.964 1.00 0.00 O ATOM 1117 CB THR A 75 6.547 15.658 -2.488 1.00 0.00 C ATOM 1118 OG1 THR A 75 7.427 16.762 -2.725 1.00 0.00 O ATOM 1119 CG2 THR A 75 6.939 14.490 -3.380 1.00 0.00 C ATOM 0 H THR A 75 4.131 16.409 -0.914 1.00 0.00 H new ATOM 0 HA THR A 75 5.049 16.676 -3.662 1.00 0.00 H new ATOM 0 HB THR A 75 6.630 15.344 -1.447 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.900 17.573 -2.884 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.972 14.208 -3.178 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.285 13.642 -3.177 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.841 14.782 -4.426 1.00 0.00 H new ATOM 1127 N THR A 76 3.805 14.582 -4.159 1.00 0.00 N ATOM 1128 CA THR A 76 2.978 13.420 -4.460 1.00 0.00 C ATOM 1129 C THR A 76 3.745 12.124 -4.223 1.00 0.00 C ATOM 1130 O THR A 76 4.876 11.968 -4.683 1.00 0.00 O ATOM 1131 CB THR A 76 2.478 13.449 -5.916 1.00 0.00 C ATOM 1132 OG1 THR A 76 1.746 14.656 -6.159 1.00 0.00 O ATOM 1133 CG2 THR A 76 1.593 12.246 -6.209 1.00 0.00 C ATOM 0 H THR A 76 4.018 15.169 -4.966 1.00 0.00 H new ATOM 0 HA THR A 76 2.120 13.459 -3.789 1.00 0.00 H new ATOM 0 HB THR A 76 3.345 13.411 -6.575 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.433 14.667 -7.088 1.00 0.00 H new ATOM 0 HG21 THR A 76 1.252 12.289 -7.243 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.161 11.329 -6.052 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.731 12.257 -5.542 1.00 0.00 H new ATOM 1141 N TYR A 77 3.122 11.197 -3.505 1.00 0.00 N ATOM 1142 CA TYR A 77 3.747 9.913 -3.206 1.00 0.00 C ATOM 1143 C TYR A 77 2.846 8.757 -3.630 1.00 0.00 C ATOM 1144 O TYR A 77 1.836 8.474 -2.986 1.00 0.00 O ATOM 1145 CB TYR A 77 4.059 9.810 -1.713 1.00 0.00 C ATOM 1146 CG TYR A 77 5.415 10.366 -1.338 1.00 0.00 C ATOM 1147 CD1 TYR A 77 6.550 9.565 -1.376 1.00 0.00 C ATOM 1148 CD2 TYR A 77 5.560 11.690 -0.945 1.00 0.00 C ATOM 1149 CE1 TYR A 77 7.790 10.068 -1.034 1.00 0.00 C ATOM 1150 CE2 TYR A 77 6.797 12.202 -0.603 1.00 0.00 C ATOM 1151 CZ TYR A 77 7.909 11.387 -0.649 1.00 0.00 C ATOM 1152 OH TYR A 77 9.142 11.892 -0.307 1.00 0.00 O ATOM 0 H TYR A 77 2.185 11.310 -3.119 1.00 0.00 H new ATOM 0 HA TYR A 77 4.678 9.850 -3.770 1.00 0.00 H new ATOM 0 HB2 TYR A 77 3.290 10.341 -1.152 1.00 0.00 H new ATOM 0 HB3 TYR A 77 4.008 8.764 -1.411 1.00 0.00 H new ATOM 0 HD1 TYR A 77 6.461 8.532 -1.678 1.00 0.00 H new ATOM 0 HD2 TYR A 77 4.691 12.330 -0.906 1.00 0.00 H new ATOM 0 HE1 TYR A 77 8.662 9.432 -1.068 1.00 0.00 H new ATOM 0 HE2 TYR A 77 6.893 13.235 -0.301 1.00 0.00 H new ATOM 0 HH TYR A 77 9.777 11.726 -1.035 1.00 0.00 H new ATOM 1162 N ASP A 78 3.221 8.092 -4.717 1.00 0.00 N ATOM 1163 CA ASP A 78 2.449 6.965 -5.228 1.00 0.00 C ATOM 1164 C ASP A 78 2.500 5.788 -4.259 1.00 0.00 C ATOM 1165 O ASP A 78 3.451 5.005 -4.267 1.00 0.00 O ATOM 1166 CB ASP A 78 2.977 6.537 -6.598 1.00 0.00 C ATOM 1167 CG ASP A 78 2.393 5.215 -7.056 1.00 0.00 C ATOM 1168 OD1 ASP A 78 2.588 4.203 -6.349 1.00 0.00 O ATOM 1169 OD2 ASP A 78 1.741 5.192 -8.121 1.00 0.00 O ATOM 0 H ASP A 78 4.055 8.314 -5.261 1.00 0.00 H new ATOM 0 HA ASP A 78 1.412 7.283 -5.331 1.00 0.00 H new ATOM 0 HB2 ASP A 78 2.742 7.308 -7.332 1.00 0.00 H new ATOM 0 HB3 ASP A 78 4.063 6.456 -6.557 1.00 0.00 H new ATOM 1174 N ILE A 79 1.473 5.671 -3.424 1.00 0.00 N ATOM 1175 CA ILE A 79 1.402 4.589 -2.449 1.00 0.00 C ATOM 1176 C ILE A 79 0.316 3.585 -2.820 1.00 0.00 C ATOM 1177 O ILE A 79 -0.812 3.962 -3.137 1.00 0.00 O ATOM 1178 CB ILE A 79 1.126 5.127 -1.032 1.00 0.00 C ATOM 1179 CG1 ILE A 79 2.103 6.253 -0.690 1.00 0.00 C ATOM 1180 CG2 ILE A 79 1.225 4.003 -0.011 1.00 0.00 C ATOM 1181 CD1 ILE A 79 1.527 7.289 0.249 1.00 0.00 C ATOM 0 H ILE A 79 0.679 6.311 -3.403 1.00 0.00 H new ATOM 0 HA ILE A 79 2.372 4.091 -2.458 1.00 0.00 H new ATOM 0 HB ILE A 79 0.114 5.530 -1.003 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.997 5.823 -0.239 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.416 6.744 -1.612 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.028 4.398 0.985 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.492 3.231 -0.247 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.226 3.573 -0.039 1.00 0.00 H new ATOM 0 HD11 ILE A 79 2.275 8.056 0.447 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.650 7.747 -0.208 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.240 6.811 1.186 1.00 0.00 H new ATOM 1193 N LYS A 80 0.664 2.303 -2.777 1.00 0.00 N ATOM 1194 CA LYS A 80 -0.280 1.242 -3.106 1.00 0.00 C ATOM 1195 C LYS A 80 -0.256 0.145 -2.047 1.00 0.00 C ATOM 1196 O LYS A 80 0.422 0.268 -1.026 1.00 0.00 O ATOM 1197 CB LYS A 80 0.045 0.649 -4.478 1.00 0.00 C ATOM 1198 CG LYS A 80 1.530 0.634 -4.798 1.00 0.00 C ATOM 1199 CD LYS A 80 1.780 0.744 -6.293 1.00 0.00 C ATOM 1200 CE LYS A 80 1.407 -0.540 -7.017 1.00 0.00 C ATOM 1201 NZ LYS A 80 1.739 -0.476 -8.467 1.00 0.00 N ATOM 0 H LYS A 80 1.594 1.974 -2.517 1.00 0.00 H new ATOM 0 HA LYS A 80 -1.280 1.675 -3.132 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -0.338 -0.370 -4.524 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.478 1.221 -5.245 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.022 1.460 -4.284 1.00 0.00 H new ATOM 0 HG3 LYS A 80 1.975 -0.287 -4.421 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.201 1.573 -6.700 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.831 0.971 -6.471 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.932 -1.380 -6.561 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.340 -0.728 -6.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 1.469 -1.370 -8.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 1.219 0.309 -8.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.761 -0.322 -8.583 1.00 0.00 H new ATOM 1215 N VAL A 81 -0.998 -0.929 -2.297 1.00 0.00 N ATOM 1216 CA VAL A 81 -1.059 -2.050 -1.366 1.00 0.00 C ATOM 1217 C VAL A 81 -1.412 -3.345 -2.088 1.00 0.00 C ATOM 1218 O VAL A 81 -1.903 -3.325 -3.216 1.00 0.00 O ATOM 1219 CB VAL A 81 -2.093 -1.798 -0.252 1.00 0.00 C ATOM 1220 CG1 VAL A 81 -3.460 -2.321 -0.664 1.00 0.00 C ATOM 1221 CG2 VAL A 81 -1.638 -2.439 1.051 1.00 0.00 C ATOM 0 H VAL A 81 -1.565 -1.047 -3.136 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.069 -2.145 -0.919 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.175 -0.723 -0.093 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.177 -2.134 0.135 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.786 -1.812 -1.571 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.398 -3.393 -0.852 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -2.380 -2.251 1.827 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.526 -3.514 0.908 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.682 -2.012 1.352 1.00 0.00 H new ATOM 1231 N ARG A 82 -1.158 -4.471 -1.429 1.00 0.00 N ATOM 1232 CA ARG A 82 -1.447 -5.777 -2.008 1.00 0.00 C ATOM 1233 C ARG A 82 -1.561 -6.842 -0.921 1.00 0.00 C ATOM 1234 O ARG A 82 -0.718 -6.924 -0.029 1.00 0.00 O ATOM 1235 CB ARG A 82 -0.357 -6.169 -3.008 1.00 0.00 C ATOM 1236 CG ARG A 82 1.008 -6.373 -2.371 1.00 0.00 C ATOM 1237 CD ARG A 82 2.020 -6.895 -3.379 1.00 0.00 C ATOM 1238 NE ARG A 82 3.378 -6.891 -2.842 1.00 0.00 N ATOM 1239 CZ ARG A 82 4.468 -6.834 -3.601 1.00 0.00 C ATOM 1240 NH1 ARG A 82 4.358 -6.777 -4.921 1.00 0.00 N ATOM 1241 NH2 ARG A 82 5.669 -6.834 -3.039 1.00 0.00 N ATOM 0 H ARG A 82 -0.753 -4.505 -0.494 1.00 0.00 H new ATOM 0 HA ARG A 82 -2.402 -5.711 -2.529 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -0.653 -7.088 -3.514 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -0.280 -5.395 -3.771 1.00 0.00 H new ATOM 0 HG2 ARG A 82 1.361 -5.430 -1.954 1.00 0.00 H new ATOM 0 HG3 ARG A 82 0.923 -7.076 -1.542 1.00 0.00 H new ATOM 0 HD2 ARG A 82 1.749 -7.909 -3.673 1.00 0.00 H new ATOM 0 HD3 ARG A 82 1.984 -6.282 -4.280 1.00 0.00 H new ATOM 0 HE ARG A 82 3.497 -6.934 -1.830 1.00 0.00 H new ATOM 0 HH11 ARG A 82 3.436 -6.777 -5.356 1.00 0.00 H new ATOM 0 HH12 ARG A 82 5.196 -6.733 -5.501 1.00 0.00 H new ATOM 0 HH21 ARG A 82 5.757 -6.878 -2.024 1.00 0.00 H new ATOM 0 HH22 ARG A 82 6.505 -6.790 -3.622 1.00 0.00 H new ATOM 1255 N ALA A 83 -2.610 -7.653 -1.002 1.00 0.00 N ATOM 1256 CA ALA A 83 -2.834 -8.713 -0.026 1.00 0.00 C ATOM 1257 C ALA A 83 -1.902 -9.894 -0.274 1.00 0.00 C ATOM 1258 O ALA A 83 -1.579 -10.211 -1.419 1.00 0.00 O ATOM 1259 CB ALA A 83 -4.285 -9.167 -0.062 1.00 0.00 C ATOM 0 H ALA A 83 -3.319 -7.597 -1.733 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.615 -8.313 0.964 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.437 -9.958 0.672 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.936 -8.325 0.173 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.524 -9.544 -1.057 1.00 0.00 H new ATOM 1265 N TRP A 84 -1.472 -10.539 0.804 1.00 0.00 N ATOM 1266 CA TRP A 84 -0.576 -11.686 0.702 1.00 0.00 C ATOM 1267 C TRP A 84 -1.223 -12.936 1.285 1.00 0.00 C ATOM 1268 O TRP A 84 -1.871 -12.883 2.332 1.00 0.00 O ATOM 1269 CB TRP A 84 0.741 -11.394 1.422 1.00 0.00 C ATOM 1270 CG TRP A 84 1.623 -10.434 0.683 1.00 0.00 C ATOM 1271 CD1 TRP A 84 1.376 -9.112 0.445 1.00 0.00 C ATOM 1272 CD2 TRP A 84 2.891 -10.722 0.084 1.00 0.00 C ATOM 1273 NE1 TRP A 84 2.415 -8.561 -0.266 1.00 0.00 N ATOM 1274 CE2 TRP A 84 3.357 -9.527 -0.499 1.00 0.00 C ATOM 1275 CE3 TRP A 84 3.679 -11.872 -0.015 1.00 0.00 C ATOM 1276 CZ2 TRP A 84 4.574 -9.453 -1.171 1.00 0.00 C ATOM 1277 CZ3 TRP A 84 4.887 -11.796 -0.682 1.00 0.00 C ATOM 1278 CH2 TRP A 84 5.325 -10.594 -1.253 1.00 0.00 C ATOM 0 H TRP A 84 -1.729 -10.288 1.759 1.00 0.00 H new ATOM 0 HA TRP A 84 -0.373 -11.865 -0.354 1.00 0.00 H new ATOM 0 HB2 TRP A 84 0.524 -10.989 2.411 1.00 0.00 H new ATOM 0 HB3 TRP A 84 1.280 -12.330 1.572 1.00 0.00 H new ATOM 0 HD1 TRP A 84 0.494 -8.578 0.768 1.00 0.00 H new ATOM 0 HE1 TRP A 84 2.475 -7.589 -0.571 1.00 0.00 H new ATOM 0 HE3 TRP A 84 3.350 -12.803 0.422 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 4.914 -8.528 -1.612 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 5.504 -12.679 -0.764 1.00 0.00 H new ATOM 0 HH2 TRP A 84 6.274 -10.567 -1.768 1.00 0.00 H new ATOM 1289 N THR A 85 -1.044 -14.064 0.604 1.00 0.00 N ATOM 1290 CA THR A 85 -1.612 -15.328 1.055 1.00 0.00 C ATOM 1291 C THR A 85 -0.517 -16.321 1.425 1.00 0.00 C ATOM 1292 O THR A 85 0.601 -16.247 0.914 1.00 0.00 O ATOM 1293 CB THR A 85 -2.515 -15.955 -0.025 1.00 0.00 C ATOM 1294 OG1 THR A 85 -1.823 -15.998 -1.278 1.00 0.00 O ATOM 1295 CG2 THR A 85 -3.805 -15.163 -0.178 1.00 0.00 C ATOM 0 H THR A 85 -0.510 -14.127 -0.263 1.00 0.00 H new ATOM 0 HA THR A 85 -2.213 -15.108 1.938 1.00 0.00 H new ATOM 0 HB THR A 85 -2.765 -16.969 0.286 1.00 0.00 H new ATOM 0 HG1 THR A 85 -0.866 -15.846 -1.129 1.00 0.00 H new ATOM 0 HG21 THR A 85 -4.426 -15.624 -0.946 1.00 0.00 H new ATOM 0 HG22 THR A 85 -4.343 -15.158 0.770 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.571 -14.139 -0.468 1.00 0.00 H new ATOM 1303 N SER A 86 -0.844 -17.252 2.315 1.00 0.00 N ATOM 1304 CA SER A 86 0.114 -18.259 2.756 1.00 0.00 C ATOM 1305 C SER A 86 0.983 -18.728 1.593 1.00 0.00 C ATOM 1306 O SER A 86 2.119 -19.161 1.787 1.00 0.00 O ATOM 1307 CB SER A 86 -0.617 -19.452 3.375 1.00 0.00 C ATOM 1308 OG SER A 86 -1.367 -20.154 2.398 1.00 0.00 O ATOM 0 H SER A 86 -1.766 -17.330 2.745 1.00 0.00 H new ATOM 0 HA SER A 86 0.759 -17.806 3.509 1.00 0.00 H new ATOM 0 HB2 SER A 86 0.105 -20.125 3.837 1.00 0.00 H new ATOM 0 HB3 SER A 86 -1.280 -19.105 4.167 1.00 0.00 H new ATOM 0 HG SER A 86 -1.420 -21.101 2.644 1.00 0.00 H new ATOM 1314 N LYS A 87 0.440 -18.639 0.384 1.00 0.00 N ATOM 1315 CA LYS A 87 1.164 -19.052 -0.813 1.00 0.00 C ATOM 1316 C LYS A 87 2.260 -18.049 -1.159 1.00 0.00 C ATOM 1317 O LYS A 87 3.446 -18.372 -1.114 1.00 0.00 O ATOM 1318 CB LYS A 87 0.200 -19.197 -1.992 1.00 0.00 C ATOM 1319 CG LYS A 87 -0.686 -20.428 -1.906 1.00 0.00 C ATOM 1320 CD LYS A 87 -1.989 -20.128 -1.183 1.00 0.00 C ATOM 1321 CE LYS A 87 -2.990 -21.261 -1.344 1.00 0.00 C ATOM 1322 NZ LYS A 87 -4.216 -21.039 -0.529 1.00 0.00 N ATOM 0 H LYS A 87 -0.500 -18.284 0.207 1.00 0.00 H new ATOM 0 HA LYS A 87 1.629 -20.017 -0.611 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.430 -18.309 -2.046 1.00 0.00 H new ATOM 0 HB3 LYS A 87 0.775 -19.237 -2.917 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.902 -20.793 -2.910 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -0.155 -21.224 -1.385 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.789 -19.965 -0.124 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -2.418 -19.204 -1.572 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -3.265 -21.356 -2.395 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -2.524 -22.202 -1.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.873 -21.833 -0.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.957 -20.974 0.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.675 -20.155 -0.827 1.00 0.00 H new ATOM 1336 N GLY A 88 1.854 -16.831 -1.503 1.00 0.00 N ATOM 1337 CA GLY A 88 2.815 -15.800 -1.850 1.00 0.00 C ATOM 1338 C GLY A 88 2.183 -14.425 -1.938 1.00 0.00 C ATOM 1339 O GLY A 88 1.595 -13.941 -0.971 1.00 0.00 O ATOM 0 H GLY A 88 0.878 -16.540 -1.548 1.00 0.00 H new ATOM 0 HA2 GLY A 88 3.611 -15.784 -1.105 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.278 -16.046 -2.806 1.00 0.00 H new ATOM 1343 N SER A 89 2.305 -13.792 -3.101 1.00 0.00 N ATOM 1344 CA SER A 89 1.746 -12.462 -3.310 1.00 0.00 C ATOM 1345 C SER A 89 0.862 -12.434 -4.553 1.00 0.00 C ATOM 1346 O SER A 89 0.917 -13.335 -5.389 1.00 0.00 O ATOM 1347 CB SER A 89 2.867 -11.430 -3.445 1.00 0.00 C ATOM 1348 OG SER A 89 2.346 -10.146 -3.744 1.00 0.00 O ATOM 0 H SER A 89 2.786 -14.179 -3.913 1.00 0.00 H new ATOM 0 HA SER A 89 1.134 -12.212 -2.444 1.00 0.00 H new ATOM 0 HB2 SER A 89 3.439 -11.387 -2.518 1.00 0.00 H new ATOM 0 HB3 SER A 89 3.556 -11.738 -4.231 1.00 0.00 H new ATOM 0 HG SER A 89 3.083 -9.534 -3.949 1.00 0.00 H new ATOM 1354 N GLY A 90 0.045 -11.391 -4.667 1.00 0.00 N ATOM 1355 CA GLY A 90 -0.841 -11.264 -5.810 1.00 0.00 C ATOM 1356 C GLY A 90 -0.628 -9.968 -6.567 1.00 0.00 C ATOM 1357 O GLY A 90 0.498 -9.495 -6.727 1.00 0.00 O ATOM 0 H GLY A 90 -0.019 -10.632 -3.989 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -0.682 -12.105 -6.484 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -1.876 -11.318 -5.472 1.00 0.00 H new ATOM 1361 N PRO A 91 -1.729 -9.372 -7.049 1.00 0.00 N ATOM 1362 CA PRO A 91 -1.683 -8.116 -7.803 1.00 0.00 C ATOM 1363 C PRO A 91 -1.305 -6.927 -6.926 1.00 0.00 C ATOM 1364 O PRO A 91 -1.055 -7.080 -5.729 1.00 0.00 O ATOM 1365 CB PRO A 91 -3.114 -7.962 -8.324 1.00 0.00 C ATOM 1366 CG PRO A 91 -3.952 -8.729 -7.360 1.00 0.00 C ATOM 1367 CD PRO A 91 -3.103 -9.880 -6.896 1.00 0.00 C ATOM 0 HA PRO A 91 -0.929 -8.140 -8.590 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -3.411 -6.914 -8.361 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -3.212 -8.357 -9.335 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -4.253 -8.103 -6.520 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -4.866 -9.085 -7.835 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -3.320 -10.148 -5.862 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -3.271 -10.772 -7.499 1.00 0.00 H new ATOM 1375 N LEU A 92 -1.267 -5.743 -7.526 1.00 0.00 N ATOM 1376 CA LEU A 92 -0.921 -4.527 -6.799 1.00 0.00 C ATOM 1377 C LEU A 92 -2.032 -3.488 -6.915 1.00 0.00 C ATOM 1378 O LEU A 92 -2.368 -3.044 -8.012 1.00 0.00 O ATOM 1379 CB LEU A 92 0.392 -3.948 -7.330 1.00 0.00 C ATOM 1380 CG LEU A 92 1.667 -4.430 -6.637 1.00 0.00 C ATOM 1381 CD1 LEU A 92 2.870 -4.255 -7.551 1.00 0.00 C ATOM 1382 CD2 LEU A 92 1.876 -3.685 -5.327 1.00 0.00 C ATOM 0 H LEU A 92 -1.472 -5.599 -8.515 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.798 -4.785 -5.747 1.00 0.00 H new ATOM 0 HB2 LEU A 92 0.467 -4.185 -8.391 1.00 0.00 H new ATOM 0 HB3 LEU A 92 0.346 -2.862 -7.248 1.00 0.00 H new ATOM 0 HG LEU A 92 1.558 -5.491 -6.414 1.00 0.00 H new ATOM 0 HD11 LEU A 92 3.768 -4.603 -7.041 1.00 0.00 H new ATOM 0 HD12 LEU A 92 2.722 -4.835 -8.462 1.00 0.00 H new ATOM 0 HD13 LEU A 92 2.983 -3.201 -7.806 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.788 -4.041 -4.848 1.00 0.00 H new ATOM 0 HD22 LEU A 92 1.964 -2.617 -5.526 1.00 0.00 H new ATOM 0 HD23 LEU A 92 1.026 -3.863 -4.668 1.00 0.00 H new ATOM 1394 N SER A 93 -2.596 -3.102 -5.774 1.00 0.00 N ATOM 1395 CA SER A 93 -3.670 -2.116 -5.748 1.00 0.00 C ATOM 1396 C SER A 93 -3.252 -0.838 -6.469 1.00 0.00 C ATOM 1397 O SER A 93 -2.068 -0.520 -6.585 1.00 0.00 O ATOM 1398 CB SER A 93 -4.061 -1.796 -4.304 1.00 0.00 C ATOM 1399 OG SER A 93 -3.236 -0.777 -3.766 1.00 0.00 O ATOM 0 H SER A 93 -2.327 -3.457 -4.856 1.00 0.00 H new ATOM 0 HA SER A 93 -4.531 -2.539 -6.265 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.104 -1.481 -4.268 1.00 0.00 H new ATOM 0 HB3 SER A 93 -3.978 -2.695 -3.694 1.00 0.00 H new ATOM 0 HG SER A 93 -3.467 0.082 -4.178 1.00 0.00 H new ATOM 1405 N PRO A 94 -4.246 -0.088 -6.965 1.00 0.00 N ATOM 1406 CA PRO A 94 -4.008 1.168 -7.682 1.00 0.00 C ATOM 1407 C PRO A 94 -3.500 2.274 -6.763 1.00 0.00 C ATOM 1408 O PRO A 94 -4.204 2.708 -5.851 1.00 0.00 O ATOM 1409 CB PRO A 94 -5.389 1.527 -8.238 1.00 0.00 C ATOM 1410 CG PRO A 94 -6.352 0.859 -7.319 1.00 0.00 C ATOM 1411 CD PRO A 94 -5.680 -0.407 -6.863 1.00 0.00 C ATOM 0 HA PRO A 94 -3.240 1.060 -8.448 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -5.541 2.606 -8.254 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -5.508 1.173 -9.262 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -6.591 1.501 -6.471 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -7.290 0.641 -7.829 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -5.962 -0.667 -5.843 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -5.949 -1.254 -7.494 1.00 0.00 H new ATOM 1419 N SER A 95 -2.275 2.726 -7.010 1.00 0.00 N ATOM 1420 CA SER A 95 -1.672 3.780 -6.202 1.00 0.00 C ATOM 1421 C SER A 95 -2.653 4.928 -5.987 1.00 0.00 C ATOM 1422 O SER A 95 -3.509 5.194 -6.831 1.00 0.00 O ATOM 1423 CB SER A 95 -0.399 4.300 -6.872 1.00 0.00 C ATOM 1424 OG SER A 95 -0.467 4.152 -8.280 1.00 0.00 O ATOM 0 H SER A 95 -1.681 2.379 -7.763 1.00 0.00 H new ATOM 0 HA SER A 95 -1.416 3.358 -5.230 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.255 5.351 -6.620 1.00 0.00 H new ATOM 0 HB3 SER A 95 0.465 3.759 -6.488 1.00 0.00 H new ATOM 0 HG SER A 95 0.291 4.614 -8.695 1.00 0.00 H new ATOM 1430 N ILE A 96 -2.522 5.605 -4.851 1.00 0.00 N ATOM 1431 CA ILE A 96 -3.395 6.725 -4.525 1.00 0.00 C ATOM 1432 C ILE A 96 -2.680 8.057 -4.728 1.00 0.00 C ATOM 1433 O ILE A 96 -3.316 9.081 -4.978 1.00 0.00 O ATOM 1434 CB ILE A 96 -3.898 6.643 -3.071 1.00 0.00 C ATOM 1435 CG1 ILE A 96 -2.754 6.247 -2.135 1.00 0.00 C ATOM 1436 CG2 ILE A 96 -5.046 5.650 -2.964 1.00 0.00 C ATOM 1437 CD1 ILE A 96 -3.107 6.362 -0.668 1.00 0.00 C ATOM 0 H ILE A 96 -1.820 5.397 -4.141 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.248 6.666 -5.200 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.264 7.625 -2.771 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.458 5.220 -2.350 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.890 6.878 -2.343 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.391 5.603 -1.931 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.866 5.971 -3.606 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.704 4.664 -3.278 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.250 6.066 -0.063 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.374 7.393 -0.438 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.951 5.710 -0.445 1.00 0.00 H new ATOM 1449 N GLN A 97 -1.356 8.034 -4.623 1.00 0.00 N ATOM 1450 CA GLN A 97 -0.555 9.240 -4.797 1.00 0.00 C ATOM 1451 C GLN A 97 -0.873 10.265 -3.714 1.00 0.00 C ATOM 1452 O GLN A 97 -1.143 11.429 -4.008 1.00 0.00 O ATOM 1453 CB GLN A 97 -0.802 9.847 -6.179 1.00 0.00 C ATOM 1454 CG GLN A 97 0.155 9.339 -7.246 1.00 0.00 C ATOM 1455 CD GLN A 97 -0.489 9.262 -8.617 1.00 0.00 C ATOM 1456 OE1 GLN A 97 -0.991 10.258 -9.137 1.00 0.00 O ATOM 1457 NE2 GLN A 97 -0.476 8.074 -9.210 1.00 0.00 N ATOM 0 H GLN A 97 -0.815 7.194 -4.418 1.00 0.00 H new ATOM 0 HA GLN A 97 0.496 8.963 -4.713 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -1.825 9.628 -6.486 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -0.715 10.931 -6.111 1.00 0.00 H new ATOM 0 HG2 GLN A 97 1.023 9.996 -7.293 1.00 0.00 H new ATOM 0 HG3 GLN A 97 0.518 8.351 -6.963 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -0.049 7.275 -8.742 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -0.893 7.961 -10.134 1.00 0.00 H new ATOM 1466 N SER A 98 -0.838 9.825 -2.460 1.00 0.00 N ATOM 1467 CA SER A 98 -1.127 10.704 -1.333 1.00 0.00 C ATOM 1468 C SER A 98 -0.016 11.734 -1.149 1.00 0.00 C ATOM 1469 O SER A 98 1.057 11.421 -0.632 1.00 0.00 O ATOM 1470 CB SER A 98 -1.296 9.886 -0.051 1.00 0.00 C ATOM 1471 OG SER A 98 -1.827 10.681 0.995 1.00 0.00 O ATOM 0 H SER A 98 -0.612 8.865 -2.199 1.00 0.00 H new ATOM 0 HA SER A 98 -2.057 11.231 -1.545 1.00 0.00 H new ATOM 0 HB2 SER A 98 -1.957 9.040 -0.240 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.333 9.476 0.252 1.00 0.00 H new ATOM 0 HG SER A 98 -1.779 10.186 1.839 1.00 0.00 H new ATOM 1477 N ARG A 99 -0.282 12.964 -1.575 1.00 0.00 N ATOM 1478 CA ARG A 99 0.694 14.041 -1.460 1.00 0.00 C ATOM 1479 C ARG A 99 0.752 14.570 -0.030 1.00 0.00 C ATOM 1480 O ARG A 99 -0.209 15.159 0.466 1.00 0.00 O ATOM 1481 CB ARG A 99 0.347 15.178 -2.422 1.00 0.00 C ATOM 1482 CG ARG A 99 1.273 16.378 -2.306 1.00 0.00 C ATOM 1483 CD ARG A 99 1.011 17.392 -3.409 1.00 0.00 C ATOM 1484 NE ARG A 99 2.186 18.214 -3.686 1.00 0.00 N ATOM 1485 CZ ARG A 99 2.400 18.822 -4.848 1.00 0.00 C ATOM 1486 NH1 ARG A 99 1.522 18.701 -5.835 1.00 0.00 N ATOM 1487 NH2 ARG A 99 3.493 19.553 -5.024 1.00 0.00 N ATOM 0 H ARG A 99 -1.166 13.240 -2.003 1.00 0.00 H new ATOM 0 HA ARG A 99 1.673 13.640 -1.722 1.00 0.00 H new ATOM 0 HB2 ARG A 99 0.381 14.801 -3.444 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -0.677 15.501 -2.235 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.136 16.852 -1.334 1.00 0.00 H new ATOM 0 HG3 ARG A 99 2.310 16.045 -2.355 1.00 0.00 H new ATOM 0 HD2 ARG A 99 0.711 16.870 -4.318 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.179 18.034 -3.121 1.00 0.00 H new ATOM 0 HE ARG A 99 2.880 18.328 -2.947 1.00 0.00 H new ATOM 0 HH11 ARG A 99 0.680 18.140 -5.703 1.00 0.00 H new ATOM 0 HH12 ARG A 99 1.689 19.169 -6.726 1.00 0.00 H new ATOM 0 HH21 ARG A 99 4.170 19.649 -4.267 1.00 0.00 H new ATOM 0 HH22 ARG A 99 3.656 20.019 -5.916 1.00 0.00 H new ATOM 1501 N THR A 100 1.887 14.356 0.629 1.00 0.00 N ATOM 1502 CA THR A 100 2.070 14.809 2.002 1.00 0.00 C ATOM 1503 C THR A 100 1.536 16.225 2.190 1.00 0.00 C ATOM 1504 O THR A 100 1.432 16.991 1.233 1.00 0.00 O ATOM 1505 CB THR A 100 3.555 14.775 2.412 1.00 0.00 C ATOM 1506 OG1 THR A 100 4.313 15.662 1.581 1.00 0.00 O ATOM 1507 CG2 THR A 100 4.114 13.365 2.299 1.00 0.00 C ATOM 0 H THR A 100 2.693 13.872 0.234 1.00 0.00 H new ATOM 0 HA THR A 100 1.509 14.124 2.638 1.00 0.00 H new ATOM 0 HB THR A 100 3.631 15.097 3.450 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.129 15.210 1.279 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.164 13.365 2.593 1.00 0.00 H new ATOM 0 HG22 THR A 100 3.553 12.698 2.954 1.00 0.00 H new ATOM 0 HG23 THR A 100 4.026 13.020 1.269 1.00 0.00 H new ATOM 1515 N MET A 101 1.199 16.566 3.430 1.00 0.00 N ATOM 1516 CA MET A 101 0.677 17.891 3.742 1.00 0.00 C ATOM 1517 C MET A 101 1.753 18.957 3.556 1.00 0.00 C ATOM 1518 O MET A 101 2.912 18.774 3.927 1.00 0.00 O ATOM 1519 CB MET A 101 0.148 17.929 5.177 1.00 0.00 C ATOM 1520 CG MET A 101 1.196 18.337 6.200 1.00 0.00 C ATOM 1521 SD MET A 101 0.506 18.557 7.851 1.00 0.00 S ATOM 1522 CE MET A 101 -0.669 17.206 7.910 1.00 0.00 C ATOM 0 H MET A 101 1.278 15.943 4.234 1.00 0.00 H new ATOM 0 HA MET A 101 -0.142 18.103 3.055 1.00 0.00 H new ATOM 0 HB2 MET A 101 -0.689 18.625 5.229 1.00 0.00 H new ATOM 0 HB3 MET A 101 -0.240 16.945 5.439 1.00 0.00 H new ATOM 0 HG2 MET A 101 1.978 17.579 6.235 1.00 0.00 H new ATOM 0 HG3 MET A 101 1.667 19.266 5.881 1.00 0.00 H new ATOM 0 HE1 MET A 101 -0.913 16.981 8.948 1.00 0.00 H new ATOM 0 HE2 MET A 101 -1.576 17.489 7.377 1.00 0.00 H new ATOM 0 HE3 MET A 101 -0.233 16.324 7.441 1.00 0.00 H new ATOM 1532 N PRO A 102 1.362 20.097 2.967 1.00 0.00 N ATOM 1533 CA PRO A 102 2.278 21.214 2.719 1.00 0.00 C ATOM 1534 C PRO A 102 2.705 21.910 4.006 1.00 0.00 C ATOM 1535 O PRO A 102 1.994 22.771 4.523 1.00 0.00 O ATOM 1536 CB PRO A 102 1.452 22.162 1.846 1.00 0.00 C ATOM 1537 CG PRO A 102 0.035 21.853 2.187 1.00 0.00 C ATOM 1538 CD PRO A 102 -0.005 20.383 2.499 1.00 0.00 C ATOM 0 HA PRO A 102 3.207 20.884 2.253 1.00 0.00 H new ATOM 0 HB2 PRO A 102 1.692 23.204 2.057 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.649 21.998 0.787 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -0.298 22.442 3.041 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -0.628 22.094 1.356 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -0.748 20.154 3.263 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -0.261 19.792 1.619 1.00 0.00 H new ATOM 1546 N VAL A 103 3.872 21.533 4.518 1.00 0.00 N ATOM 1547 CA VAL A 103 4.395 22.123 5.745 1.00 0.00 C ATOM 1548 C VAL A 103 4.299 23.644 5.708 1.00 0.00 C ATOM 1549 O VAL A 103 4.210 24.296 6.748 1.00 0.00 O ATOM 1550 CB VAL A 103 5.863 21.718 5.981 1.00 0.00 C ATOM 1551 CG1 VAL A 103 6.742 22.205 4.839 1.00 0.00 C ATOM 1552 CG2 VAL A 103 6.357 22.260 7.313 1.00 0.00 C ATOM 0 H VAL A 103 4.473 20.822 4.102 1.00 0.00 H new ATOM 0 HA VAL A 103 3.784 21.743 6.564 1.00 0.00 H new ATOM 0 HB VAL A 103 5.921 20.630 6.013 1.00 0.00 H new ATOM 0 HG11 VAL A 103 7.775 21.910 5.023 1.00 0.00 H new ATOM 0 HG12 VAL A 103 6.400 21.764 3.903 1.00 0.00 H new ATOM 0 HG13 VAL A 103 6.682 23.291 4.771 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.395 21.965 7.463 1.00 0.00 H new ATOM 0 HG22 VAL A 103 6.286 23.348 7.312 1.00 0.00 H new ATOM 0 HG23 VAL A 103 5.745 21.857 8.120 1.00 0.00 H new TER 1562 VAL A 103