USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 668 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 28 GLN : amide:sc= -0.0397 K(o=-0.041,f=-0.55) USER MOD Set 1.2: A 29 LYS NZ :NH3+ 145:sc=-0.00168 (180deg=-0.889) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0.0393 USER MOD Single : A 9 ASN : amide:sc= -1.46 K(o=-1.5,f=-2.6) USER MOD Single : A 11 MET CE :methyl -148:sc= -0.0992 (180deg=-0.412) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0561 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 180:sc= -3.47! USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.072 USER MOD Single : A 39 THR OG1 : rot -7:sc= 0.657 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -0.495 X(o=-0.5,f=-0.34) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 165:sc= -0.229 USER MOD Single : A 70 CYS SG : rot -96:sc= -0.789 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -1.75 K(o=-1.8,f=-0.41) USER MOD Single : A 79 SER OG : rot -45:sc= 0.285 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 154:sc= -0.389 (180deg=-0.65) USER MOD Single : A 84 SER OG : rot 180:sc= -0.0397 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.206 -3.283 26.750 1.00 0.00 N ATOM 2 CA GLY A 1 0.882 -2.758 27.184 1.00 0.00 C ATOM 3 C GLY A 1 -0.270 -3.391 26.429 1.00 0.00 C ATOM 4 O GLY A 1 -0.607 -4.552 26.659 1.00 0.00 O ATOM 0 H1 GLY A 1 2.960 -2.819 27.296 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.243 -4.310 26.913 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.342 -3.088 25.738 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.755 -2.939 28.251 1.00 0.00 H new ATOM 0 HA3 GLY A 1 0.858 -1.678 27.038 1.00 0.00 H new ATOM 10 N SER A 2 -0.875 -2.627 25.525 1.00 0.00 N ATOM 11 CA SER A 2 -1.996 -3.120 24.733 1.00 0.00 C ATOM 12 C SER A 2 -1.522 -4.119 23.684 1.00 0.00 C ATOM 13 O SER A 2 -0.328 -4.218 23.401 1.00 0.00 O ATOM 14 CB SER A 2 -2.721 -1.955 24.057 1.00 0.00 C ATOM 15 OG SER A 2 -4.057 -2.303 23.738 1.00 0.00 O ATOM 0 H SER A 2 -0.608 -1.664 25.323 1.00 0.00 H new ATOM 0 HA SER A 2 -2.688 -3.628 25.404 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.715 -1.087 24.716 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.190 -1.669 23.149 1.00 0.00 H new ATOM 0 HG SER A 2 -4.500 -1.541 23.309 1.00 0.00 H new ATOM 21 N SER A 3 -2.466 -4.856 23.107 1.00 0.00 N ATOM 22 CA SER A 3 -2.145 -5.848 22.087 1.00 0.00 C ATOM 23 C SER A 3 -2.866 -5.536 20.779 1.00 0.00 C ATOM 24 O SER A 3 -4.014 -5.093 20.783 1.00 0.00 O ATOM 25 CB SER A 3 -2.525 -7.249 22.570 1.00 0.00 C ATOM 26 OG SER A 3 -1.605 -7.721 23.539 1.00 0.00 O ATOM 0 H SER A 3 -3.459 -4.785 23.328 1.00 0.00 H new ATOM 0 HA SER A 3 -1.071 -5.812 21.907 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.529 -7.231 22.995 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.550 -7.935 21.723 1.00 0.00 H new ATOM 0 HG SER A 3 -1.871 -8.617 23.833 1.00 0.00 H new ATOM 32 N GLY A 4 -2.182 -5.767 19.663 1.00 0.00 N ATOM 33 CA GLY A 4 -2.773 -5.505 18.365 1.00 0.00 C ATOM 34 C GLY A 4 -1.818 -5.794 17.223 1.00 0.00 C ATOM 35 O GLY A 4 -0.653 -5.398 17.264 1.00 0.00 O ATOM 0 H GLY A 4 -1.229 -6.131 19.635 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.669 -6.114 18.248 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.088 -4.463 18.316 1.00 0.00 H new ATOM 39 N SER A 5 -2.312 -6.485 16.202 1.00 0.00 N ATOM 40 CA SER A 5 -1.494 -6.828 15.043 1.00 0.00 C ATOM 41 C SER A 5 -0.302 -7.687 15.455 1.00 0.00 C ATOM 42 O SER A 5 0.764 -7.168 15.786 1.00 0.00 O ATOM 43 CB SER A 5 -1.007 -5.559 14.345 1.00 0.00 C ATOM 44 OG SER A 5 -2.033 -4.583 14.283 1.00 0.00 O ATOM 0 H SER A 5 -3.275 -6.819 16.153 1.00 0.00 H new ATOM 0 HA SER A 5 -2.110 -7.402 14.350 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.148 -5.154 14.879 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.670 -5.801 13.337 1.00 0.00 H new ATOM 0 HG SER A 5 -1.695 -3.781 13.833 1.00 0.00 H new ATOM 50 N SER A 6 -0.491 -9.002 15.429 1.00 0.00 N ATOM 51 CA SER A 6 0.569 -9.933 15.799 1.00 0.00 C ATOM 52 C SER A 6 1.672 -9.948 14.745 1.00 0.00 C ATOM 53 O SER A 6 1.460 -9.536 13.604 1.00 0.00 O ATOM 54 CB SER A 6 0.000 -11.342 15.979 1.00 0.00 C ATOM 55 OG SER A 6 -1.373 -11.296 16.328 1.00 0.00 O ATOM 0 H SER A 6 -1.367 -9.447 15.156 1.00 0.00 H new ATOM 0 HA SER A 6 0.998 -9.599 16.744 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.125 -11.909 15.057 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.558 -11.867 16.754 1.00 0.00 H new ATOM 0 HG SER A 6 -1.714 -12.208 16.436 1.00 0.00 H new ATOM 61 N GLY A 7 2.850 -10.426 15.135 1.00 0.00 N ATOM 62 CA GLY A 7 3.968 -10.485 14.213 1.00 0.00 C ATOM 63 C GLY A 7 3.775 -11.533 13.134 1.00 0.00 C ATOM 64 O GLY A 7 2.646 -11.897 12.807 1.00 0.00 O ATOM 0 H GLY A 7 3.049 -10.773 16.073 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.103 -9.509 13.747 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.881 -10.702 14.767 1.00 0.00 H new ATOM 68 N GLY A 8 4.882 -12.021 12.582 1.00 0.00 N ATOM 69 CA GLY A 8 4.808 -13.030 11.540 1.00 0.00 C ATOM 70 C GLY A 8 4.873 -12.433 10.148 1.00 0.00 C ATOM 71 O GLY A 8 4.275 -12.961 9.211 1.00 0.00 O ATOM 0 H GLY A 8 5.828 -11.736 12.837 1.00 0.00 H new ATOM 0 HA2 GLY A 8 5.626 -13.739 11.666 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.880 -13.592 11.648 1.00 0.00 H new ATOM 75 N ASN A 9 5.599 -11.329 10.013 1.00 0.00 N ATOM 76 CA ASN A 9 5.740 -10.659 8.725 1.00 0.00 C ATOM 77 C ASN A 9 6.418 -11.572 7.709 1.00 0.00 C ATOM 78 O ASN A 9 7.606 -11.874 7.826 1.00 0.00 O ATOM 79 CB ASN A 9 6.543 -9.366 8.884 1.00 0.00 C ATOM 80 CG ASN A 9 5.664 -8.177 9.218 1.00 0.00 C ATOM 81 OD1 ASN A 9 4.474 -8.328 9.495 1.00 0.00 O ATOM 82 ND2 ASN A 9 6.248 -6.984 9.194 1.00 0.00 N ATOM 0 H ASN A 9 6.099 -10.879 10.779 1.00 0.00 H new ATOM 0 HA ASN A 9 4.743 -10.415 8.359 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.286 -9.497 9.671 1.00 0.00 H new ATOM 0 HB3 ASN A 9 7.088 -9.164 7.962 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.707 -6.147 9.411 1.00 0.00 H new ATOM 0 HD22 ASN A 9 7.237 -6.905 8.959 1.00 0.00 H new ATOM 89 N LEU A 10 5.656 -12.009 6.711 1.00 0.00 N ATOM 90 CA LEU A 10 6.185 -12.887 5.674 1.00 0.00 C ATOM 91 C LEU A 10 6.521 -12.098 4.412 1.00 0.00 C ATOM 92 O LEU A 10 7.545 -12.336 3.773 1.00 0.00 O ATOM 93 CB LEU A 10 5.176 -13.989 5.347 1.00 0.00 C ATOM 94 CG LEU A 10 3.837 -13.498 4.796 1.00 0.00 C ATOM 95 CD1 LEU A 10 3.882 -13.413 3.277 1.00 0.00 C ATOM 96 CD2 LEU A 10 2.708 -14.415 5.246 1.00 0.00 C ATOM 0 H LEU A 10 4.671 -11.769 6.599 1.00 0.00 H new ATOM 0 HA LEU A 10 7.101 -13.342 6.050 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.624 -14.667 4.620 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.989 -14.569 6.251 1.00 0.00 H new ATOM 0 HG LEU A 10 3.648 -12.499 5.190 1.00 0.00 H new ATOM 0 HD11 LEU A 10 2.920 -13.062 2.904 1.00 0.00 H new ATOM 0 HD12 LEU A 10 4.665 -12.717 2.975 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.094 -14.399 2.864 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.762 -14.051 4.845 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.892 -15.425 4.881 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.660 -14.426 6.335 1.00 0.00 H new ATOM 108 N MET A 11 5.651 -11.158 4.060 1.00 0.00 N ATOM 109 CA MET A 11 5.855 -10.334 2.873 1.00 0.00 C ATOM 110 C MET A 11 6.421 -8.967 3.252 1.00 0.00 C ATOM 111 O MET A 11 7.259 -8.414 2.543 1.00 0.00 O ATOM 112 CB MET A 11 4.539 -10.165 2.111 1.00 0.00 C ATOM 113 CG MET A 11 4.525 -10.863 0.761 1.00 0.00 C ATOM 114 SD MET A 11 5.855 -10.306 -0.322 1.00 0.00 S ATOM 115 CE MET A 11 6.869 -11.780 -0.399 1.00 0.00 C ATOM 0 H MET A 11 4.798 -10.947 4.579 1.00 0.00 H new ATOM 0 HA MET A 11 6.575 -10.838 2.228 1.00 0.00 H new ATOM 0 HB2 MET A 11 3.723 -10.554 2.720 1.00 0.00 H new ATOM 0 HB3 MET A 11 4.348 -9.102 1.963 1.00 0.00 H new ATOM 0 HG2 MET A 11 4.611 -11.939 0.912 1.00 0.00 H new ATOM 0 HG3 MET A 11 3.566 -10.685 0.274 1.00 0.00 H new ATOM 0 HE1 MET A 11 7.916 -11.496 -0.507 1.00 0.00 H new ATOM 0 HE2 MET A 11 6.742 -12.357 0.517 1.00 0.00 H new ATOM 0 HE3 MET A 11 6.567 -12.385 -1.254 1.00 0.00 H new ATOM 125 N LEU A 12 5.956 -8.431 4.376 1.00 0.00 N ATOM 126 CA LEU A 12 6.415 -7.130 4.849 1.00 0.00 C ATOM 127 C LEU A 12 7.891 -7.180 5.228 1.00 0.00 C ATOM 128 O LEU A 12 8.608 -6.187 5.100 1.00 0.00 O ATOM 129 CB LEU A 12 5.582 -6.678 6.050 1.00 0.00 C ATOM 130 CG LEU A 12 4.127 -6.329 5.735 1.00 0.00 C ATOM 131 CD1 LEU A 12 3.220 -6.725 6.890 1.00 0.00 C ATOM 132 CD2 LEU A 12 3.991 -4.844 5.434 1.00 0.00 C ATOM 0 H LEU A 12 5.262 -8.877 4.976 1.00 0.00 H new ATOM 0 HA LEU A 12 6.291 -6.411 4.039 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.596 -7.469 6.800 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.060 -5.806 6.497 1.00 0.00 H new ATOM 0 HG LEU A 12 3.821 -6.890 4.852 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.189 -6.469 6.647 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.296 -7.799 7.061 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.524 -6.192 7.791 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.949 -4.612 5.212 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.315 -4.266 6.300 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.611 -4.589 4.575 1.00 0.00 H new ATOM 144 N SER A 13 8.339 -8.342 5.694 1.00 0.00 N ATOM 145 CA SER A 13 9.731 -8.519 6.092 1.00 0.00 C ATOM 146 C SER A 13 10.600 -8.870 4.889 1.00 0.00 C ATOM 147 O SER A 13 11.775 -8.504 4.832 1.00 0.00 O ATOM 148 CB SER A 13 9.842 -9.615 7.154 1.00 0.00 C ATOM 149 OG SER A 13 11.140 -9.642 7.725 1.00 0.00 O ATOM 0 H SER A 13 7.759 -9.174 5.805 1.00 0.00 H new ATOM 0 HA SER A 13 10.087 -7.578 6.511 1.00 0.00 H new ATOM 0 HB2 SER A 13 9.101 -9.445 7.935 1.00 0.00 H new ATOM 0 HB3 SER A 13 9.618 -10.583 6.707 1.00 0.00 H new ATOM 0 HG SER A 13 11.185 -10.350 8.402 1.00 0.00 H new ATOM 155 N ALA A 14 10.018 -9.582 3.930 1.00 0.00 N ATOM 156 CA ALA A 14 10.739 -9.982 2.730 1.00 0.00 C ATOM 157 C ALA A 14 11.032 -8.781 1.837 1.00 0.00 C ATOM 158 O ALA A 14 12.058 -8.733 1.160 1.00 0.00 O ATOM 159 CB ALA A 14 9.947 -11.030 1.962 1.00 0.00 C ATOM 0 H ALA A 14 9.047 -9.894 3.962 1.00 0.00 H new ATOM 0 HA ALA A 14 11.691 -10.414 3.038 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.498 -11.319 1.067 1.00 0.00 H new ATOM 0 HB2 ALA A 14 9.794 -11.905 2.593 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.980 -10.617 1.674 1.00 0.00 H new ATOM 165 N LEU A 15 10.123 -7.811 1.843 1.00 0.00 N ATOM 166 CA LEU A 15 10.284 -6.608 1.033 1.00 0.00 C ATOM 167 C LEU A 15 11.112 -5.562 1.771 1.00 0.00 C ATOM 168 O LEU A 15 12.063 -5.008 1.220 1.00 0.00 O ATOM 169 CB LEU A 15 8.916 -6.029 0.667 1.00 0.00 C ATOM 170 CG LEU A 15 7.990 -6.983 -0.089 1.00 0.00 C ATOM 171 CD1 LEU A 15 6.591 -6.398 -0.196 1.00 0.00 C ATOM 172 CD2 LEU A 15 8.550 -7.284 -1.471 1.00 0.00 C ATOM 0 H LEU A 15 9.268 -7.834 2.399 1.00 0.00 H new ATOM 0 HA LEU A 15 10.811 -6.882 0.119 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.416 -5.711 1.582 1.00 0.00 H new ATOM 0 HB3 LEU A 15 9.067 -5.136 0.060 1.00 0.00 H new ATOM 0 HG LEU A 15 7.929 -7.917 0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 15 5.947 -7.091 -0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.188 -6.233 0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.633 -5.449 -0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.879 -7.964 -1.995 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.641 -6.357 -2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.532 -7.747 -1.373 1.00 0.00 H new ATOM 184 N GLY A 16 10.744 -5.295 3.020 1.00 0.00 N ATOM 185 CA GLY A 16 11.464 -4.315 3.813 1.00 0.00 C ATOM 186 C GLY A 16 10.618 -3.101 4.143 1.00 0.00 C ATOM 187 O GLY A 16 11.111 -1.974 4.142 1.00 0.00 O ATOM 0 H GLY A 16 9.960 -5.740 3.497 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.803 -4.780 4.739 1.00 0.00 H new ATOM 0 HA3 GLY A 16 12.354 -3.997 3.271 1.00 0.00 H new ATOM 191 N LEU A 17 9.340 -3.332 4.424 1.00 0.00 N ATOM 192 CA LEU A 17 8.422 -2.249 4.756 1.00 0.00 C ATOM 193 C LEU A 17 7.337 -2.730 5.715 1.00 0.00 C ATOM 194 O LEU A 17 6.983 -3.910 5.725 1.00 0.00 O ATOM 195 CB LEU A 17 7.784 -1.684 3.486 1.00 0.00 C ATOM 196 CG LEU A 17 7.192 -0.281 3.627 1.00 0.00 C ATOM 197 CD1 LEU A 17 8.282 0.772 3.507 1.00 0.00 C ATOM 198 CD2 LEU A 17 6.111 -0.053 2.581 1.00 0.00 C ATOM 0 H LEU A 17 8.916 -4.260 4.428 1.00 0.00 H new ATOM 0 HA LEU A 17 8.993 -1.461 5.248 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.536 -1.667 2.697 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.996 -2.363 3.161 1.00 0.00 H new ATOM 0 HG LEU A 17 6.739 -0.195 4.615 1.00 0.00 H new ATOM 0 HD11 LEU A 17 7.842 1.764 3.610 1.00 0.00 H new ATOM 0 HD12 LEU A 17 9.023 0.620 4.292 1.00 0.00 H new ATOM 0 HD13 LEU A 17 8.764 0.688 2.533 1.00 0.00 H new ATOM 0 HD21 LEU A 17 5.700 0.950 2.695 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.541 -0.158 1.585 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.317 -0.788 2.713 1.00 0.00 H new ATOM 210 N ARG A 18 6.813 -1.810 6.517 1.00 0.00 N ATOM 211 CA ARG A 18 5.768 -2.142 7.479 1.00 0.00 C ATOM 212 C ARG A 18 4.447 -1.482 7.098 1.00 0.00 C ATOM 213 O ARG A 18 4.410 -0.584 6.256 1.00 0.00 O ATOM 214 CB ARG A 18 6.184 -1.706 8.885 1.00 0.00 C ATOM 215 CG ARG A 18 7.065 -2.719 9.599 1.00 0.00 C ATOM 216 CD ARG A 18 7.080 -2.487 11.102 1.00 0.00 C ATOM 217 NE ARG A 18 6.802 -3.711 11.848 1.00 0.00 N ATOM 218 CZ ARG A 18 6.773 -3.780 13.178 1.00 0.00 C ATOM 219 NH1 ARG A 18 7.005 -2.697 13.910 1.00 0.00 N ATOM 220 NH2 ARG A 18 6.510 -4.934 13.776 1.00 0.00 N ATOM 0 H ARG A 18 7.094 -0.829 6.520 1.00 0.00 H new ATOM 0 HA ARG A 18 5.628 -3.223 7.468 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.715 -0.756 8.820 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.289 -1.530 9.482 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.705 -3.726 9.389 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.081 -2.656 9.210 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.053 -2.095 11.398 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.339 -1.730 11.359 1.00 0.00 H new ATOM 0 HE ARG A 18 6.619 -4.564 11.319 1.00 0.00 H new ATOM 0 HH11 ARG A 18 7.207 -1.807 13.454 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.982 -2.755 14.928 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.330 -5.768 13.218 1.00 0.00 H new ATOM 0 HH22 ARG A 18 6.488 -4.987 14.794 1.00 0.00 H new ATOM 234 N LEU A 19 3.364 -1.933 7.723 1.00 0.00 N ATOM 235 CA LEU A 19 2.040 -1.387 7.450 1.00 0.00 C ATOM 236 C LEU A 19 1.857 -0.032 8.126 1.00 0.00 C ATOM 237 O LEU A 19 2.344 0.190 9.235 1.00 0.00 O ATOM 238 CB LEU A 19 0.957 -2.358 7.924 1.00 0.00 C ATOM 239 CG LEU A 19 1.178 -3.818 7.524 1.00 0.00 C ATOM 240 CD1 LEU A 19 0.259 -4.733 8.319 1.00 0.00 C ATOM 241 CD2 LEU A 19 0.953 -4.000 6.031 1.00 0.00 C ATOM 0 H LEU A 19 3.378 -2.676 8.422 1.00 0.00 H new ATOM 0 HA LEU A 19 1.948 -1.249 6.373 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.889 -2.301 9.010 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.003 -2.030 7.527 1.00 0.00 H new ATOM 0 HG LEU A 19 2.210 -4.086 7.751 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.430 -5.768 8.022 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.467 -4.622 9.383 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.779 -4.466 8.123 1.00 0.00 H new ATOM 0 HD21 LEU A 19 1.114 -5.044 5.763 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -0.068 -3.715 5.780 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.652 -3.372 5.479 1.00 0.00 H new ATOM 253 N GLY A 20 1.153 0.871 7.452 1.00 0.00 N ATOM 254 CA GLY A 20 0.919 2.192 8.004 1.00 0.00 C ATOM 255 C GLY A 20 1.906 3.219 7.487 1.00 0.00 C ATOM 256 O GLY A 20 1.593 4.408 7.409 1.00 0.00 O ATOM 0 H GLY A 20 0.740 0.711 6.533 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -0.094 2.511 7.759 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.984 2.145 9.091 1.00 0.00 H new ATOM 260 N ASP A 21 3.103 2.762 7.133 1.00 0.00 N ATOM 261 CA ASP A 21 4.141 3.649 6.622 1.00 0.00 C ATOM 262 C ASP A 21 3.688 4.329 5.333 1.00 0.00 C ATOM 263 O ASP A 21 2.576 4.102 4.857 1.00 0.00 O ATOM 264 CB ASP A 21 5.433 2.868 6.375 1.00 0.00 C ATOM 265 CG ASP A 21 6.663 3.627 6.832 1.00 0.00 C ATOM 266 OD1 ASP A 21 6.689 4.068 8.000 1.00 0.00 O ATOM 267 OD2 ASP A 21 7.600 3.781 6.021 1.00 0.00 O ATOM 0 H ASP A 21 3.378 1.781 7.191 1.00 0.00 H new ATOM 0 HA ASP A 21 4.329 4.418 7.371 1.00 0.00 H new ATOM 0 HB2 ASP A 21 5.383 1.913 6.899 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.522 2.644 5.312 1.00 0.00 H new ATOM 272 N ARG A 22 4.557 5.165 4.773 1.00 0.00 N ATOM 273 CA ARG A 22 4.247 5.878 3.540 1.00 0.00 C ATOM 274 C ARG A 22 4.867 5.176 2.336 1.00 0.00 C ATOM 275 O ARG A 22 5.956 4.609 2.427 1.00 0.00 O ATOM 276 CB ARG A 22 4.747 7.322 3.623 1.00 0.00 C ATOM 277 CG ARG A 22 3.667 8.356 3.348 1.00 0.00 C ATOM 278 CD ARG A 22 4.204 9.773 3.466 1.00 0.00 C ATOM 279 NE ARG A 22 3.338 10.622 4.280 1.00 0.00 N ATOM 280 CZ ARG A 22 3.728 11.770 4.830 1.00 0.00 C ATOM 281 NH1 ARG A 22 4.968 12.210 4.656 1.00 0.00 N ATOM 282 NH2 ARG A 22 2.876 12.480 5.557 1.00 0.00 N ATOM 0 H ARG A 22 5.482 5.365 5.154 1.00 0.00 H new ATOM 0 HA ARG A 22 3.164 5.885 3.413 1.00 0.00 H new ATOM 0 HB2 ARG A 22 5.162 7.498 4.615 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.559 7.458 2.909 1.00 0.00 H new ATOM 0 HG2 ARG A 22 3.262 8.202 2.348 1.00 0.00 H new ATOM 0 HG3 ARG A 22 2.844 8.219 4.050 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.202 9.747 3.905 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.304 10.206 2.471 1.00 0.00 H new ATOM 0 HE ARG A 22 2.377 10.317 4.436 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.628 11.668 4.098 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.261 13.090 5.080 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.922 12.147 5.695 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.175 13.360 5.978 1.00 0.00 H new ATOM 296 N VAL A 23 4.167 5.220 1.206 1.00 0.00 N ATOM 297 CA VAL A 23 4.648 4.589 -0.017 1.00 0.00 C ATOM 298 C VAL A 23 4.346 5.453 -1.236 1.00 0.00 C ATOM 299 O VAL A 23 3.343 6.165 -1.272 1.00 0.00 O ATOM 300 CB VAL A 23 4.017 3.198 -0.218 1.00 0.00 C ATOM 301 CG1 VAL A 23 4.636 2.187 0.734 1.00 0.00 C ATOM 302 CG2 VAL A 23 2.508 3.265 -0.031 1.00 0.00 C ATOM 0 H VAL A 23 3.265 5.686 1.113 1.00 0.00 H new ATOM 0 HA VAL A 23 5.727 4.478 0.088 1.00 0.00 H new ATOM 0 HB VAL A 23 4.220 2.871 -1.238 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.177 1.211 0.577 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.708 2.119 0.546 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.468 2.505 1.763 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.079 2.274 -0.177 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.281 3.614 0.976 1.00 0.00 H new ATOM 0 HG23 VAL A 23 2.081 3.955 -0.759 1.00 0.00 H new ATOM 312 N LEU A 24 5.220 5.382 -2.236 1.00 0.00 N ATOM 313 CA LEU A 24 5.045 6.158 -3.459 1.00 0.00 C ATOM 314 C LEU A 24 4.557 5.271 -4.601 1.00 0.00 C ATOM 315 O LEU A 24 5.239 4.329 -5.003 1.00 0.00 O ATOM 316 CB LEU A 24 6.361 6.835 -3.850 1.00 0.00 C ATOM 317 CG LEU A 24 6.210 8.103 -4.693 1.00 0.00 C ATOM 318 CD1 LEU A 24 5.463 9.175 -3.915 1.00 0.00 C ATOM 319 CD2 LEU A 24 7.573 8.614 -5.134 1.00 0.00 C ATOM 0 H LEU A 24 6.055 4.796 -2.223 1.00 0.00 H new ATOM 0 HA LEU A 24 4.292 6.923 -3.270 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.908 7.084 -2.941 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.970 6.120 -4.403 1.00 0.00 H new ATOM 0 HG LEU A 24 5.630 7.859 -5.583 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.365 10.069 -4.530 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.472 8.807 -3.649 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.016 9.418 -3.007 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.447 9.516 -5.733 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.177 8.842 -4.256 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.073 7.850 -5.730 1.00 0.00 H new ATOM 331 N LEU A 25 3.372 5.580 -5.117 1.00 0.00 N ATOM 332 CA LEU A 25 2.792 4.811 -6.212 1.00 0.00 C ATOM 333 C LEU A 25 3.212 5.384 -7.562 1.00 0.00 C ATOM 334 O LEU A 25 2.980 6.558 -7.849 1.00 0.00 O ATOM 335 CB LEU A 25 1.266 4.799 -6.103 1.00 0.00 C ATOM 336 CG LEU A 25 0.714 4.186 -4.814 1.00 0.00 C ATOM 337 CD1 LEU A 25 -0.806 4.161 -4.845 1.00 0.00 C ATOM 338 CD2 LEU A 25 1.269 2.785 -4.611 1.00 0.00 C ATOM 0 H LEU A 25 2.795 6.357 -4.795 1.00 0.00 H new ATOM 0 HA LEU A 25 3.163 3.788 -6.140 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.903 5.824 -6.185 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.861 4.249 -6.952 1.00 0.00 H new ATOM 0 HG LEU A 25 1.030 4.805 -3.974 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.182 3.722 -3.921 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.185 5.178 -4.944 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.143 3.565 -5.693 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.866 2.364 -3.690 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.983 2.155 -5.453 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.356 2.830 -4.544 1.00 0.00 H new ATOM 350 N ASP A 26 3.830 4.545 -8.388 1.00 0.00 N ATOM 351 CA ASP A 26 4.283 4.966 -9.709 1.00 0.00 C ATOM 352 C ASP A 26 5.272 6.126 -9.608 1.00 0.00 C ATOM 353 O ASP A 26 5.445 6.889 -10.558 1.00 0.00 O ATOM 354 CB ASP A 26 3.088 5.371 -10.575 1.00 0.00 C ATOM 355 CG ASP A 26 2.664 4.269 -11.526 1.00 0.00 C ATOM 356 OD1 ASP A 26 3.358 4.065 -12.545 1.00 0.00 O ATOM 357 OD2 ASP A 26 1.639 3.610 -11.253 1.00 0.00 O ATOM 0 H ASP A 26 4.028 3.570 -8.166 1.00 0.00 H new ATOM 0 HA ASP A 26 4.792 4.122 -10.175 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.249 5.634 -9.931 1.00 0.00 H new ATOM 0 HB3 ASP A 26 3.343 6.263 -11.147 1.00 0.00 H new ATOM 362 N GLY A 27 5.919 6.253 -8.453 1.00 0.00 N ATOM 363 CA GLY A 27 6.882 7.321 -8.253 1.00 0.00 C ATOM 364 C GLY A 27 6.302 8.693 -8.541 1.00 0.00 C ATOM 365 O GLY A 27 6.869 9.464 -9.313 1.00 0.00 O ATOM 0 H GLY A 27 5.793 5.635 -7.652 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.243 7.292 -7.225 1.00 0.00 H new ATOM 0 HA3 GLY A 27 7.744 7.153 -8.898 1.00 0.00 H new ATOM 369 N GLN A 28 5.168 8.998 -7.916 1.00 0.00 N ATOM 370 CA GLN A 28 4.513 10.286 -8.111 1.00 0.00 C ATOM 371 C GLN A 28 3.421 10.504 -7.068 1.00 0.00 C ATOM 372 O GLN A 28 3.372 11.546 -6.414 1.00 0.00 O ATOM 373 CB GLN A 28 3.919 10.372 -9.518 1.00 0.00 C ATOM 374 CG GLN A 28 4.751 11.207 -10.479 1.00 0.00 C ATOM 375 CD GLN A 28 4.774 10.633 -11.881 1.00 0.00 C ATOM 376 OE1 GLN A 28 3.843 9.946 -12.299 1.00 0.00 O ATOM 377 NE2 GLN A 28 5.844 10.912 -12.618 1.00 0.00 N ATOM 0 H GLN A 28 4.685 8.372 -7.272 1.00 0.00 H new ATOM 0 HA GLN A 28 5.262 11.069 -7.994 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.814 9.365 -9.922 1.00 0.00 H new ATOM 0 HB3 GLN A 28 2.917 10.796 -9.455 1.00 0.00 H new ATOM 0 HG2 GLN A 28 4.352 12.221 -10.512 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.772 11.278 -10.103 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.594 11.486 -12.232 1.00 0.00 H new ATOM 0 HE22 GLN A 28 5.916 10.552 -13.570 1.00 0.00 H new ATOM 386 N LYS A 29 2.547 9.514 -6.917 1.00 0.00 N ATOM 387 CA LYS A 29 1.456 9.598 -5.953 1.00 0.00 C ATOM 388 C LYS A 29 1.885 9.049 -4.596 1.00 0.00 C ATOM 389 O LYS A 29 2.480 7.976 -4.509 1.00 0.00 O ATOM 390 CB LYS A 29 0.235 8.831 -6.464 1.00 0.00 C ATOM 391 CG LYS A 29 -0.181 9.218 -7.874 1.00 0.00 C ATOM 392 CD LYS A 29 0.296 8.199 -8.896 1.00 0.00 C ATOM 393 CE LYS A 29 0.467 8.827 -10.270 1.00 0.00 C ATOM 394 NZ LYS A 29 1.038 7.866 -11.254 1.00 0.00 N ATOM 0 H LYS A 29 2.573 8.645 -7.450 1.00 0.00 H new ATOM 0 HA LYS A 29 1.192 10.649 -5.832 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.450 7.763 -6.438 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.602 9.004 -5.787 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.267 9.303 -7.923 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.227 10.199 -8.119 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.244 7.771 -8.570 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.420 7.379 -8.956 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -0.499 9.183 -10.629 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.119 9.697 -10.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 0.625 8.043 -12.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.070 7.989 -11.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.818 6.894 -10.957 1.00 0.00 H new ATOM 408 N THR A 30 1.577 9.795 -3.539 1.00 0.00 N ATOM 409 CA THR A 30 1.929 9.381 -2.185 1.00 0.00 C ATOM 410 C THR A 30 0.763 8.660 -1.517 1.00 0.00 C ATOM 411 O THR A 30 -0.300 9.244 -1.303 1.00 0.00 O ATOM 412 CB THR A 30 2.342 10.596 -1.350 1.00 0.00 C ATOM 413 OG1 THR A 30 1.758 11.780 -1.863 1.00 0.00 O ATOM 414 CG2 THR A 30 3.840 10.807 -1.301 1.00 0.00 C ATOM 0 H THR A 30 1.086 10.687 -3.594 1.00 0.00 H new ATOM 0 HA THR A 30 2.770 8.690 -2.248 1.00 0.00 H new ATOM 0 HB THR A 30 1.987 10.386 -0.341 1.00 0.00 H new ATOM 0 HG1 THR A 30 2.033 12.544 -1.315 1.00 0.00 H new ATOM 0 HG21 THR A 30 4.064 11.684 -0.694 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.317 9.930 -0.863 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.219 10.959 -2.312 1.00 0.00 H new ATOM 422 N GLY A 31 0.969 7.389 -1.191 1.00 0.00 N ATOM 423 CA GLY A 31 -0.075 6.609 -0.552 1.00 0.00 C ATOM 424 C GLY A 31 0.352 6.061 0.796 1.00 0.00 C ATOM 425 O GLY A 31 1.545 5.972 1.087 1.00 0.00 O ATOM 0 H GLY A 31 1.840 6.885 -1.358 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -0.961 7.230 -0.424 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.357 5.782 -1.204 1.00 0.00 H new ATOM 429 N THR A 32 -0.624 5.693 1.619 1.00 0.00 N ATOM 430 CA THR A 32 -0.344 5.150 2.943 1.00 0.00 C ATOM 431 C THR A 32 -0.643 3.655 2.992 1.00 0.00 C ATOM 432 O THR A 32 -1.777 3.232 2.772 1.00 0.00 O ATOM 433 CB THR A 32 -1.170 5.882 4.002 1.00 0.00 C ATOM 434 OG1 THR A 32 -1.372 7.235 3.633 1.00 0.00 O ATOM 435 CG2 THR A 32 -0.530 5.870 5.374 1.00 0.00 C ATOM 0 H THR A 32 -1.616 5.761 1.392 1.00 0.00 H new ATOM 0 HA THR A 32 0.715 5.297 3.153 1.00 0.00 H new ATOM 0 HB THR A 32 -2.115 5.342 4.056 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.904 7.686 4.322 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.167 6.406 6.077 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.406 4.840 5.709 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.445 6.355 5.325 1.00 0.00 H new ATOM 443 N LEU A 33 0.382 2.860 3.283 1.00 0.00 N ATOM 444 CA LEU A 33 0.228 1.412 3.360 1.00 0.00 C ATOM 445 C LEU A 33 -0.784 1.030 4.434 1.00 0.00 C ATOM 446 O LEU A 33 -0.801 1.608 5.521 1.00 0.00 O ATOM 447 CB LEU A 33 1.576 0.750 3.654 1.00 0.00 C ATOM 448 CG LEU A 33 1.643 -0.746 3.341 1.00 0.00 C ATOM 449 CD1 LEU A 33 1.352 -0.996 1.869 1.00 0.00 C ATOM 450 CD2 LEU A 33 3.006 -1.307 3.720 1.00 0.00 C ATOM 0 H LEU A 33 1.328 3.194 3.469 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.140 1.058 2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.348 1.261 3.079 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.814 0.897 4.708 1.00 0.00 H new ATOM 0 HG LEU A 33 0.883 -1.258 3.932 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.404 -2.065 1.664 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.355 -0.628 1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.089 -0.474 1.259 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.037 -2.372 3.491 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.782 -0.791 3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.176 -1.160 4.787 1.00 0.00 H new ATOM 462 N ARG A 34 -1.628 0.050 4.124 1.00 0.00 N ATOM 463 CA ARG A 34 -2.644 -0.410 5.063 1.00 0.00 C ATOM 464 C ARG A 34 -2.587 -1.926 5.224 1.00 0.00 C ATOM 465 O ARG A 34 -2.534 -2.440 6.342 1.00 0.00 O ATOM 466 CB ARG A 34 -4.036 0.011 4.589 1.00 0.00 C ATOM 467 CG ARG A 34 -4.276 1.510 4.663 1.00 0.00 C ATOM 468 CD ARG A 34 -5.160 1.879 5.845 1.00 0.00 C ATOM 469 NE ARG A 34 -4.382 2.382 6.974 1.00 0.00 N ATOM 470 CZ ARG A 34 -4.847 2.460 8.218 1.00 0.00 C ATOM 471 NH1 ARG A 34 -6.085 2.068 8.497 1.00 0.00 N ATOM 472 NH2 ARG A 34 -4.074 2.929 9.187 1.00 0.00 N ATOM 0 H ARG A 34 -1.628 -0.440 3.230 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.443 0.050 6.031 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.176 -0.321 3.560 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.786 -0.499 5.193 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.321 2.028 4.747 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -4.743 1.850 3.739 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.881 2.636 5.536 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.730 1.004 6.158 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.426 2.692 6.798 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -6.684 1.705 7.756 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -6.436 2.130 9.453 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.122 3.230 8.979 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.431 2.989 10.141 1.00 0.00 H new ATOM 486 N PHE A 35 -2.598 -2.636 4.102 1.00 0.00 N ATOM 487 CA PHE A 35 -2.548 -4.094 4.117 1.00 0.00 C ATOM 488 C PHE A 35 -1.392 -4.607 3.265 1.00 0.00 C ATOM 489 O PHE A 35 -0.917 -3.916 2.364 1.00 0.00 O ATOM 490 CB PHE A 35 -3.869 -4.676 3.611 1.00 0.00 C ATOM 491 CG PHE A 35 -3.915 -6.177 3.641 1.00 0.00 C ATOM 492 CD1 PHE A 35 -3.769 -6.864 4.836 1.00 0.00 C ATOM 493 CD2 PHE A 35 -4.105 -6.901 2.475 1.00 0.00 C ATOM 494 CE1 PHE A 35 -3.811 -8.244 4.867 1.00 0.00 C ATOM 495 CE2 PHE A 35 -4.149 -8.282 2.500 1.00 0.00 C ATOM 496 CZ PHE A 35 -4.001 -8.954 3.698 1.00 0.00 C ATOM 0 H PHE A 35 -2.641 -2.226 3.169 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.388 -4.417 5.146 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.685 -4.284 4.217 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.039 -4.336 2.589 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -3.621 -6.314 5.753 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.220 -6.380 1.536 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.695 -8.767 5.805 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -4.299 -8.835 1.585 1.00 0.00 H new ATOM 0 HZ PHE A 35 -4.034 -10.033 3.720 1.00 0.00 H new ATOM 506 N CYS A 36 -0.944 -5.824 3.556 1.00 0.00 N ATOM 507 CA CYS A 36 0.156 -6.429 2.815 1.00 0.00 C ATOM 508 C CYS A 36 0.142 -7.948 2.960 1.00 0.00 C ATOM 509 O CYS A 36 -0.180 -8.475 4.024 1.00 0.00 O ATOM 510 CB CYS A 36 1.495 -5.872 3.303 1.00 0.00 C ATOM 511 SG CYS A 36 2.908 -6.336 2.274 1.00 0.00 S ATOM 0 H CYS A 36 -1.325 -6.410 4.299 1.00 0.00 H new ATOM 0 HA CYS A 36 0.029 -6.182 1.761 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.431 -4.785 3.344 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.671 -6.219 4.321 1.00 0.00 H new ATOM 0 HG CYS A 36 3.993 -5.816 2.766 1.00 0.00 H new ATOM 517 N GLY A 37 0.491 -8.644 1.883 1.00 0.00 N ATOM 518 CA GLY A 37 0.512 -10.095 1.911 1.00 0.00 C ATOM 519 C GLY A 37 -0.300 -10.708 0.787 1.00 0.00 C ATOM 520 O GLY A 37 -0.285 -10.213 -0.340 1.00 0.00 O ATOM 0 H GLY A 37 0.760 -8.229 0.991 1.00 0.00 H new ATOM 0 HA2 GLY A 37 1.543 -10.442 1.841 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.123 -10.443 2.868 1.00 0.00 H new ATOM 524 N THR A 38 -1.011 -11.788 1.094 1.00 0.00 N ATOM 525 CA THR A 38 -1.833 -12.470 0.101 1.00 0.00 C ATOM 526 C THR A 38 -3.282 -12.002 0.182 1.00 0.00 C ATOM 527 O THR A 38 -3.696 -11.399 1.172 1.00 0.00 O ATOM 528 CB THR A 38 -1.759 -13.985 0.300 1.00 0.00 C ATOM 529 OG1 THR A 38 -1.412 -14.299 1.637 1.00 0.00 O ATOM 530 CG2 THR A 38 -0.751 -14.659 -0.607 1.00 0.00 C ATOM 0 H THR A 38 -1.035 -12.210 2.022 1.00 0.00 H new ATOM 0 HA THR A 38 -1.446 -12.223 -0.888 1.00 0.00 H new ATOM 0 HB THR A 38 -2.753 -14.358 0.052 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.371 -15.272 1.744 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.749 -15.732 -0.415 1.00 0.00 H new ATOM 0 HG22 THR A 38 -1.019 -14.477 -1.648 1.00 0.00 H new ATOM 0 HG23 THR A 38 0.242 -14.254 -0.412 1.00 0.00 H new ATOM 538 N THR A 39 -4.050 -12.283 -0.867 1.00 0.00 N ATOM 539 CA THR A 39 -5.453 -11.891 -0.914 1.00 0.00 C ATOM 540 C THR A 39 -6.362 -13.116 -0.892 1.00 0.00 C ATOM 541 O THR A 39 -5.927 -14.228 -1.189 1.00 0.00 O ATOM 542 CB THR A 39 -5.729 -11.060 -2.168 1.00 0.00 C ATOM 543 OG1 THR A 39 -5.657 -11.867 -3.331 1.00 0.00 O ATOM 544 CG2 THR A 39 -4.764 -9.908 -2.348 1.00 0.00 C ATOM 0 H THR A 39 -3.723 -12.781 -1.695 1.00 0.00 H new ATOM 0 HA THR A 39 -5.666 -11.288 -0.031 1.00 0.00 H new ATOM 0 HB THR A 39 -6.731 -10.654 -2.030 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.331 -12.759 -3.090 1.00 0.00 H new ATOM 0 HG21 THR A 39 -5.016 -9.360 -3.256 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.832 -9.239 -1.490 1.00 0.00 H new ATOM 0 HG23 THR A 39 -3.748 -10.294 -2.428 1.00 0.00 H new ATOM 552 N GLU A 40 -7.625 -12.903 -0.537 1.00 0.00 N ATOM 553 CA GLU A 40 -8.595 -13.990 -0.476 1.00 0.00 C ATOM 554 C GLU A 40 -9.250 -14.212 -1.836 1.00 0.00 C ATOM 555 O GLU A 40 -9.415 -15.348 -2.278 1.00 0.00 O ATOM 556 CB GLU A 40 -9.663 -13.687 0.578 1.00 0.00 C ATOM 557 CG GLU A 40 -9.992 -14.873 1.469 1.00 0.00 C ATOM 558 CD GLU A 40 -8.828 -15.279 2.352 1.00 0.00 C ATOM 559 OE1 GLU A 40 -7.851 -15.846 1.822 1.00 0.00 O ATOM 560 OE2 GLU A 40 -8.894 -15.029 3.574 1.00 0.00 O ATOM 0 H GLU A 40 -8.000 -11.988 -0.287 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.067 -14.902 -0.196 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.323 -12.859 1.200 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.573 -13.356 0.077 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.849 -14.626 2.095 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.285 -15.719 0.848 1.00 0.00 H new ATOM 567 N PHE A 41 -9.619 -13.117 -2.494 1.00 0.00 N ATOM 568 CA PHE A 41 -10.256 -13.192 -3.803 1.00 0.00 C ATOM 569 C PHE A 41 -9.291 -13.746 -4.847 1.00 0.00 C ATOM 570 O PHE A 41 -9.697 -14.465 -5.761 1.00 0.00 O ATOM 571 CB PHE A 41 -10.749 -11.809 -4.233 1.00 0.00 C ATOM 572 CG PHE A 41 -9.695 -10.742 -4.144 1.00 0.00 C ATOM 573 CD1 PHE A 41 -8.789 -10.558 -5.176 1.00 0.00 C ATOM 574 CD2 PHE A 41 -9.610 -9.925 -3.029 1.00 0.00 C ATOM 575 CE1 PHE A 41 -7.817 -9.578 -5.097 1.00 0.00 C ATOM 576 CE2 PHE A 41 -8.641 -8.943 -2.943 1.00 0.00 C ATOM 577 CZ PHE A 41 -7.744 -8.769 -3.980 1.00 0.00 C ATOM 0 H PHE A 41 -9.488 -12.169 -2.142 1.00 0.00 H new ATOM 0 HA PHE A 41 -11.108 -13.867 -3.726 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -11.113 -11.865 -5.259 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -11.596 -11.524 -3.610 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -8.843 -11.187 -6.052 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -10.309 -10.057 -2.217 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -7.116 -9.445 -5.908 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -8.585 -8.313 -2.067 1.00 0.00 H new ATOM 0 HZ PHE A 41 -6.987 -8.001 -3.917 1.00 0.00 H new ATOM 587 N ALA A 42 -8.015 -13.406 -4.706 1.00 0.00 N ATOM 588 CA ALA A 42 -6.994 -13.870 -5.638 1.00 0.00 C ATOM 589 C ALA A 42 -5.749 -14.346 -4.897 1.00 0.00 C ATOM 590 O ALA A 42 -5.718 -14.369 -3.667 1.00 0.00 O ATOM 591 CB ALA A 42 -6.635 -12.765 -6.619 1.00 0.00 C ATOM 0 H ALA A 42 -7.663 -12.811 -3.956 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.401 -14.716 -6.192 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.872 -13.125 -7.309 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.523 -12.474 -7.180 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -6.252 -11.903 -6.072 1.00 0.00 H new ATOM 597 N SER A 43 -4.726 -14.727 -5.654 1.00 0.00 N ATOM 598 CA SER A 43 -3.477 -15.204 -5.069 1.00 0.00 C ATOM 599 C SER A 43 -2.294 -14.384 -5.572 1.00 0.00 C ATOM 600 O SER A 43 -2.389 -13.698 -6.590 1.00 0.00 O ATOM 601 CB SER A 43 -3.267 -16.682 -5.403 1.00 0.00 C ATOM 602 OG SER A 43 -2.328 -17.275 -4.522 1.00 0.00 O ATOM 0 H SER A 43 -4.736 -14.715 -6.674 1.00 0.00 H new ATOM 0 HA SER A 43 -3.542 -15.088 -3.987 1.00 0.00 H new ATOM 0 HB2 SER A 43 -4.217 -17.212 -5.337 1.00 0.00 H new ATOM 0 HB3 SER A 43 -2.918 -16.780 -6.431 1.00 0.00 H new ATOM 0 HG SER A 43 -2.212 -18.220 -4.755 1.00 0.00 H new ATOM 608 N GLY A 44 -1.179 -14.460 -4.851 1.00 0.00 N ATOM 609 CA GLY A 44 0.007 -13.720 -5.241 1.00 0.00 C ATOM 610 C GLY A 44 0.495 -12.789 -4.147 1.00 0.00 C ATOM 611 O GLY A 44 0.491 -13.149 -2.970 1.00 0.00 O ATOM 0 H GLY A 44 -1.076 -15.020 -4.005 1.00 0.00 H new ATOM 0 HA2 GLY A 44 0.801 -14.421 -5.498 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.209 -13.140 -6.138 1.00 0.00 H new ATOM 615 N GLN A 45 0.917 -11.590 -4.537 1.00 0.00 N ATOM 616 CA GLN A 45 1.410 -10.606 -3.582 1.00 0.00 C ATOM 617 C GLN A 45 0.801 -9.233 -3.852 1.00 0.00 C ATOM 618 O GLN A 45 1.131 -8.581 -4.843 1.00 0.00 O ATOM 619 CB GLN A 45 2.936 -10.521 -3.646 1.00 0.00 C ATOM 620 CG GLN A 45 3.638 -11.710 -3.010 1.00 0.00 C ATOM 621 CD GLN A 45 4.443 -12.518 -4.010 1.00 0.00 C ATOM 622 OE1 GLN A 45 4.005 -13.573 -4.468 1.00 0.00 O ATOM 623 NE2 GLN A 45 5.626 -12.025 -4.354 1.00 0.00 N ATOM 0 H GLN A 45 0.927 -11.277 -5.508 1.00 0.00 H new ATOM 0 HA GLN A 45 1.113 -10.926 -2.583 1.00 0.00 H new ATOM 0 HB2 GLN A 45 3.244 -10.443 -4.689 1.00 0.00 H new ATOM 0 HB3 GLN A 45 3.262 -9.608 -3.148 1.00 0.00 H new ATOM 0 HG2 GLN A 45 4.299 -11.356 -2.219 1.00 0.00 H new ATOM 0 HG3 GLN A 45 2.896 -12.356 -2.540 1.00 0.00 H new ATOM 0 HE21 GLN A 45 5.950 -11.146 -3.949 1.00 0.00 H new ATOM 0 HE22 GLN A 45 6.212 -12.525 -5.023 1.00 0.00 H new ATOM 632 N TRP A 46 -0.089 -8.801 -2.964 1.00 0.00 N ATOM 633 CA TRP A 46 -0.744 -7.506 -3.107 1.00 0.00 C ATOM 634 C TRP A 46 -0.537 -6.652 -1.860 1.00 0.00 C ATOM 635 O TRP A 46 -0.127 -7.153 -0.812 1.00 0.00 O ATOM 636 CB TRP A 46 -2.241 -7.694 -3.367 1.00 0.00 C ATOM 637 CG TRP A 46 -2.538 -8.360 -4.676 1.00 0.00 C ATOM 638 CD1 TRP A 46 -2.436 -9.691 -4.960 1.00 0.00 C ATOM 639 CD2 TRP A 46 -2.984 -7.725 -5.878 1.00 0.00 C ATOM 640 NE1 TRP A 46 -2.792 -9.923 -6.267 1.00 0.00 N ATOM 641 CE2 TRP A 46 -3.133 -8.732 -6.852 1.00 0.00 C ATOM 642 CE3 TRP A 46 -3.275 -6.403 -6.228 1.00 0.00 C ATOM 643 CZ2 TRP A 46 -3.559 -8.457 -8.148 1.00 0.00 C ATOM 644 CZ3 TRP A 46 -3.698 -6.132 -7.516 1.00 0.00 C ATOM 645 CH2 TRP A 46 -3.836 -7.155 -8.462 1.00 0.00 C ATOM 0 H TRP A 46 -0.373 -9.329 -2.138 1.00 0.00 H new ATOM 0 HA TRP A 46 -0.296 -6.992 -3.957 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -2.671 -8.287 -2.560 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -2.732 -6.721 -3.343 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -2.121 -10.451 -4.260 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -2.801 -10.834 -6.727 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -3.171 -5.608 -5.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -3.667 -9.244 -8.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -3.926 -5.114 -7.797 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -4.168 -6.911 -9.460 1.00 0.00 H new ATOM 656 N VAL A 47 -0.823 -5.359 -1.980 1.00 0.00 N ATOM 657 CA VAL A 47 -0.668 -4.435 -0.863 1.00 0.00 C ATOM 658 C VAL A 47 -1.653 -3.276 -0.968 1.00 0.00 C ATOM 659 O VAL A 47 -1.765 -2.637 -2.014 1.00 0.00 O ATOM 660 CB VAL A 47 0.763 -3.872 -0.794 1.00 0.00 C ATOM 661 CG1 VAL A 47 1.740 -4.946 -0.342 1.00 0.00 C ATOM 662 CG2 VAL A 47 1.177 -3.297 -2.140 1.00 0.00 C ATOM 0 H VAL A 47 -1.163 -4.928 -2.840 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.872 -5.001 0.046 1.00 0.00 H new ATOM 0 HB VAL A 47 0.780 -3.066 -0.060 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.746 -4.528 -0.300 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.454 -5.305 0.647 1.00 0.00 H new ATOM 0 HG13 VAL A 47 1.721 -5.776 -1.049 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.191 -2.904 -2.071 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.142 -4.081 -2.897 1.00 0.00 H new ATOM 0 HG23 VAL A 47 0.495 -2.494 -2.418 1.00 0.00 H new ATOM 672 N GLY A 48 -2.366 -3.012 0.122 1.00 0.00 N ATOM 673 CA GLY A 48 -3.333 -1.929 0.131 1.00 0.00 C ATOM 674 C GLY A 48 -2.683 -0.573 0.325 1.00 0.00 C ATOM 675 O GLY A 48 -1.920 -0.372 1.270 1.00 0.00 O ATOM 0 H GLY A 48 -2.292 -3.528 0.999 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.886 -1.932 -0.808 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -4.057 -2.099 0.928 1.00 0.00 H new ATOM 679 N VAL A 49 -2.986 0.360 -0.571 1.00 0.00 N ATOM 680 CA VAL A 49 -2.426 1.704 -0.495 1.00 0.00 C ATOM 681 C VAL A 49 -3.527 2.759 -0.523 1.00 0.00 C ATOM 682 O VAL A 49 -4.497 2.639 -1.271 1.00 0.00 O ATOM 683 CB VAL A 49 -1.446 1.971 -1.653 1.00 0.00 C ATOM 684 CG1 VAL A 49 -0.735 3.302 -1.456 1.00 0.00 C ATOM 685 CG2 VAL A 49 -0.441 0.835 -1.780 1.00 0.00 C ATOM 0 H VAL A 49 -3.617 0.210 -1.359 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.886 1.769 0.450 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.017 2.023 -2.580 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.047 3.473 -2.284 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.470 4.106 -1.423 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.178 3.282 -0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.242 1.044 -2.604 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.125 0.745 -0.853 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -0.969 -0.098 -1.974 1.00 0.00 H new ATOM 695 N GLU A 50 -3.368 3.792 0.298 1.00 0.00 N ATOM 696 CA GLU A 50 -4.348 4.870 0.368 1.00 0.00 C ATOM 697 C GLU A 50 -3.804 6.141 -0.276 1.00 0.00 C ATOM 698 O GLU A 50 -3.027 6.875 0.336 1.00 0.00 O ATOM 699 CB GLU A 50 -4.732 5.145 1.823 1.00 0.00 C ATOM 700 CG GLU A 50 -6.190 5.537 2.005 1.00 0.00 C ATOM 701 CD GLU A 50 -6.361 6.756 2.889 1.00 0.00 C ATOM 702 OE1 GLU A 50 -5.752 7.802 2.582 1.00 0.00 O ATOM 703 OE2 GLU A 50 -7.105 6.666 3.888 1.00 0.00 O ATOM 0 H GLU A 50 -2.570 3.905 0.924 1.00 0.00 H new ATOM 0 HA GLU A 50 -5.236 4.557 -0.181 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.527 4.255 2.418 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.099 5.942 2.212 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.633 5.736 1.029 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.736 4.699 2.439 1.00 0.00 H new ATOM 710 N LEU A 51 -4.218 6.396 -1.513 1.00 0.00 N ATOM 711 CA LEU A 51 -3.772 7.579 -2.240 1.00 0.00 C ATOM 712 C LEU A 51 -4.167 8.852 -1.501 1.00 0.00 C ATOM 713 O LEU A 51 -5.288 8.974 -1.007 1.00 0.00 O ATOM 714 CB LEU A 51 -4.363 7.589 -3.651 1.00 0.00 C ATOM 715 CG LEU A 51 -3.689 6.640 -4.643 1.00 0.00 C ATOM 716 CD1 LEU A 51 -4.657 6.247 -5.748 1.00 0.00 C ATOM 717 CD2 LEU A 51 -2.440 7.283 -5.228 1.00 0.00 C ATOM 0 H LEU A 51 -4.862 5.799 -2.033 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.685 7.544 -2.310 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -5.420 7.332 -3.587 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -4.305 8.603 -4.045 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.394 5.736 -4.110 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -4.160 5.572 -6.444 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -5.522 5.747 -5.313 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -4.984 7.140 -6.280 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.972 6.595 -5.932 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.713 8.202 -5.746 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.739 7.513 -4.425 1.00 0.00 H new ATOM 729 N ASP A 52 -3.238 9.801 -1.430 1.00 0.00 N ATOM 730 CA ASP A 52 -3.489 11.067 -0.751 1.00 0.00 C ATOM 731 C ASP A 52 -4.532 11.889 -1.502 1.00 0.00 C ATOM 732 O ASP A 52 -5.516 12.346 -0.919 1.00 0.00 O ATOM 733 CB ASP A 52 -2.191 11.865 -0.619 1.00 0.00 C ATOM 734 CG ASP A 52 -2.129 12.658 0.672 1.00 0.00 C ATOM 735 OD1 ASP A 52 -3.077 13.425 0.942 1.00 0.00 O ATOM 736 OD2 ASP A 52 -1.132 12.513 1.410 1.00 0.00 O ATOM 0 H ASP A 52 -2.305 9.717 -1.834 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.874 10.847 0.245 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.342 11.183 -0.664 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.098 12.546 -1.465 1.00 0.00 H new ATOM 741 N GLU A 53 -4.307 12.076 -2.799 1.00 0.00 N ATOM 742 CA GLU A 53 -5.227 12.844 -3.631 1.00 0.00 C ATOM 743 C GLU A 53 -6.580 12.144 -3.735 1.00 0.00 C ATOM 744 O GLU A 53 -6.702 10.961 -3.420 1.00 0.00 O ATOM 745 CB GLU A 53 -4.634 13.050 -5.028 1.00 0.00 C ATOM 746 CG GLU A 53 -3.954 14.398 -5.206 1.00 0.00 C ATOM 747 CD GLU A 53 -3.265 14.528 -6.551 1.00 0.00 C ATOM 748 OE1 GLU A 53 -2.253 13.828 -6.770 1.00 0.00 O ATOM 749 OE2 GLU A 53 -3.736 15.330 -7.384 1.00 0.00 O ATOM 0 H GLU A 53 -3.496 11.707 -3.296 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.378 13.816 -3.162 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.912 12.259 -5.228 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -5.427 12.952 -5.769 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.694 15.191 -5.103 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.222 14.540 -4.411 1.00 0.00 H new ATOM 756 N PRO A 54 -7.620 12.871 -4.182 1.00 0.00 N ATOM 757 CA PRO A 54 -8.969 12.314 -4.326 1.00 0.00 C ATOM 758 C PRO A 54 -9.062 11.318 -5.478 1.00 0.00 C ATOM 759 O PRO A 54 -9.794 11.536 -6.444 1.00 0.00 O ATOM 760 CB PRO A 54 -9.832 13.545 -4.609 1.00 0.00 C ATOM 761 CG PRO A 54 -8.898 14.529 -5.224 1.00 0.00 C ATOM 762 CD PRO A 54 -7.560 14.291 -4.579 1.00 0.00 C ATOM 0 HA PRO A 54 -9.278 11.756 -3.442 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -10.655 13.305 -5.283 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -10.274 13.938 -3.693 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -8.841 14.390 -6.304 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.238 15.550 -5.051 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -6.740 14.480 -5.272 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -7.407 14.943 -3.719 1.00 0.00 H new ATOM 770 N GLU A 55 -8.317 10.224 -5.368 1.00 0.00 N ATOM 771 CA GLU A 55 -8.316 9.191 -6.399 1.00 0.00 C ATOM 772 C GLU A 55 -8.192 7.803 -5.780 1.00 0.00 C ATOM 773 O GLU A 55 -7.451 7.606 -4.817 1.00 0.00 O ATOM 774 CB GLU A 55 -7.170 9.428 -7.385 1.00 0.00 C ATOM 775 CG GLU A 55 -7.371 10.648 -8.268 1.00 0.00 C ATOM 776 CD GLU A 55 -6.093 11.083 -8.959 1.00 0.00 C ATOM 777 OE1 GLU A 55 -5.159 11.523 -8.256 1.00 0.00 O ATOM 778 OE2 GLU A 55 -6.027 10.985 -10.202 1.00 0.00 O ATOM 0 H GLU A 55 -7.706 10.029 -4.575 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.264 9.245 -6.934 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -6.240 9.542 -6.828 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -7.057 8.547 -8.017 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -8.129 10.427 -9.019 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -7.751 11.471 -7.663 1.00 0.00 H new ATOM 785 N GLY A 56 -8.923 6.844 -6.339 1.00 0.00 N ATOM 786 CA GLY A 56 -8.880 5.487 -5.828 1.00 0.00 C ATOM 787 C GLY A 56 -9.796 4.550 -6.590 1.00 0.00 C ATOM 788 O GLY A 56 -10.137 4.809 -7.744 1.00 0.00 O ATOM 0 H GLY A 56 -9.544 6.983 -7.136 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -7.857 5.114 -5.883 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.163 5.490 -4.775 1.00 0.00 H new ATOM 792 N LYS A 57 -10.194 3.459 -5.944 1.00 0.00 N ATOM 793 CA LYS A 57 -11.077 2.481 -6.570 1.00 0.00 C ATOM 794 C LYS A 57 -11.945 1.784 -5.528 1.00 0.00 C ATOM 795 O LYS A 57 -13.163 1.698 -5.678 1.00 0.00 O ATOM 796 CB LYS A 57 -10.256 1.444 -7.342 1.00 0.00 C ATOM 797 CG LYS A 57 -9.871 1.895 -8.741 1.00 0.00 C ATOM 798 CD LYS A 57 -11.073 1.918 -9.671 1.00 0.00 C ATOM 799 CE LYS A 57 -11.420 0.524 -10.170 1.00 0.00 C ATOM 800 NZ LYS A 57 -11.849 0.536 -11.596 1.00 0.00 N ATOM 0 H LYS A 57 -9.920 3.230 -4.989 1.00 0.00 H new ATOM 0 HA LYS A 57 -11.730 3.010 -7.264 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -9.350 1.218 -6.780 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.828 0.518 -7.412 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -9.427 2.889 -8.694 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -9.111 1.225 -9.144 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -11.930 2.342 -9.148 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -10.864 2.568 -10.521 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.554 -0.128 -10.057 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -12.217 0.106 -9.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.077 -0.433 -11.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.691 1.138 -11.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.080 0.911 -12.187 1.00 0.00 H new ATOM 814 N ASN A 58 -11.310 1.287 -4.471 1.00 0.00 N ATOM 815 CA ASN A 58 -12.024 0.597 -3.404 1.00 0.00 C ATOM 816 C ASN A 58 -11.932 1.374 -2.094 1.00 0.00 C ATOM 817 O ASN A 58 -11.046 2.211 -1.919 1.00 0.00 O ATOM 818 CB ASN A 58 -11.462 -0.813 -3.214 1.00 0.00 C ATOM 819 CG ASN A 58 -11.712 -1.701 -4.417 1.00 0.00 C ATOM 820 OD1 ASN A 58 -12.510 -2.638 -4.357 1.00 0.00 O ATOM 821 ND2 ASN A 58 -11.031 -1.411 -5.519 1.00 0.00 N ATOM 0 H ASN A 58 -10.302 1.350 -4.331 1.00 0.00 H new ATOM 0 HA ASN A 58 -13.073 0.527 -3.691 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -10.390 -0.752 -3.027 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -11.914 -1.266 -2.331 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -11.159 -1.973 -6.360 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -10.380 -0.626 -5.524 1.00 0.00 H new ATOM 828 N ASP A 59 -12.852 1.092 -1.179 1.00 0.00 N ATOM 829 CA ASP A 59 -12.875 1.764 0.116 1.00 0.00 C ATOM 830 C ASP A 59 -12.347 0.847 1.215 1.00 0.00 C ATOM 831 O ASP A 59 -12.804 0.903 2.356 1.00 0.00 O ATOM 832 CB ASP A 59 -14.298 2.214 0.454 1.00 0.00 C ATOM 833 CG ASP A 59 -14.712 3.450 -0.318 1.00 0.00 C ATOM 834 OD1 ASP A 59 -14.231 3.628 -1.457 1.00 0.00 O ATOM 835 OD2 ASP A 59 -15.517 4.242 0.216 1.00 0.00 O ATOM 0 H ASP A 59 -13.592 0.403 -1.309 1.00 0.00 H new ATOM 0 HA ASP A 59 -12.228 2.639 0.055 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -14.994 1.403 0.237 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -14.368 2.416 1.523 1.00 0.00 H new ATOM 840 N GLY A 60 -11.383 0.003 0.862 1.00 0.00 N ATOM 841 CA GLY A 60 -10.810 -0.913 1.830 1.00 0.00 C ATOM 842 C GLY A 60 -11.743 -2.062 2.165 1.00 0.00 C ATOM 843 O GLY A 60 -11.637 -2.665 3.233 1.00 0.00 O ATOM 0 H GLY A 60 -10.989 -0.063 -0.076 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -9.874 -1.311 1.439 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -10.568 -0.368 2.742 1.00 0.00 H new ATOM 847 N SER A 61 -12.658 -2.366 1.250 1.00 0.00 N ATOM 848 CA SER A 61 -13.612 -3.450 1.454 1.00 0.00 C ATOM 849 C SER A 61 -13.880 -4.189 0.146 1.00 0.00 C ATOM 850 O SER A 61 -14.488 -3.641 -0.774 1.00 0.00 O ATOM 851 CB SER A 61 -14.923 -2.906 2.023 1.00 0.00 C ATOM 852 OG SER A 61 -15.135 -1.563 1.623 1.00 0.00 O ATOM 0 H SER A 61 -12.759 -1.877 0.360 1.00 0.00 H new ATOM 0 HA SER A 61 -13.180 -4.152 2.167 1.00 0.00 H new ATOM 0 HB2 SER A 61 -15.754 -3.525 1.685 1.00 0.00 H new ATOM 0 HB3 SER A 61 -14.903 -2.966 3.111 1.00 0.00 H new ATOM 0 HG SER A 61 -15.980 -1.239 1.998 1.00 0.00 H new ATOM 858 N VAL A 62 -13.421 -5.433 0.070 1.00 0.00 N ATOM 859 CA VAL A 62 -13.610 -6.246 -1.125 1.00 0.00 C ATOM 860 C VAL A 62 -14.223 -7.599 -0.780 1.00 0.00 C ATOM 861 O VAL A 62 -13.740 -8.302 0.108 1.00 0.00 O ATOM 862 CB VAL A 62 -12.279 -6.472 -1.867 1.00 0.00 C ATOM 863 CG1 VAL A 62 -12.522 -7.134 -3.213 1.00 0.00 C ATOM 864 CG2 VAL A 62 -11.534 -5.156 -2.037 1.00 0.00 C ATOM 0 H VAL A 62 -12.915 -5.901 0.822 1.00 0.00 H new ATOM 0 HA VAL A 62 -14.292 -5.697 -1.775 1.00 0.00 H new ATOM 0 HB VAL A 62 -11.659 -7.140 -1.269 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -11.570 -7.285 -3.721 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -13.009 -8.097 -3.062 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -13.161 -6.495 -3.822 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -10.596 -5.334 -2.563 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -12.147 -4.463 -2.613 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -11.325 -4.727 -1.057 1.00 0.00 H new ATOM 874 N GLY A 63 -15.289 -7.957 -1.487 1.00 0.00 N ATOM 875 CA GLY A 63 -15.951 -9.225 -1.241 1.00 0.00 C ATOM 876 C GLY A 63 -16.456 -9.350 0.183 1.00 0.00 C ATOM 877 O GLY A 63 -17.419 -8.686 0.568 1.00 0.00 O ATOM 0 H GLY A 63 -15.707 -7.392 -2.226 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -16.788 -9.334 -1.931 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -15.258 -10.040 -1.450 1.00 0.00 H new ATOM 881 N GLY A 64 -15.804 -10.203 0.966 1.00 0.00 N ATOM 882 CA GLY A 64 -16.205 -10.398 2.347 1.00 0.00 C ATOM 883 C GLY A 64 -15.060 -10.186 3.318 1.00 0.00 C ATOM 884 O GLY A 64 -15.035 -10.778 4.398 1.00 0.00 O ATOM 0 H GLY A 64 -15.005 -10.763 0.669 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -17.014 -9.709 2.588 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -16.599 -11.407 2.469 1.00 0.00 H new ATOM 888 N VAL A 65 -14.110 -9.340 2.934 1.00 0.00 N ATOM 889 CA VAL A 65 -12.957 -9.051 3.778 1.00 0.00 C ATOM 890 C VAL A 65 -12.635 -7.561 3.777 1.00 0.00 C ATOM 891 O VAL A 65 -12.549 -6.934 2.721 1.00 0.00 O ATOM 892 CB VAL A 65 -11.713 -9.833 3.315 1.00 0.00 C ATOM 893 CG1 VAL A 65 -10.580 -9.678 4.318 1.00 0.00 C ATOM 894 CG2 VAL A 65 -12.052 -11.300 3.106 1.00 0.00 C ATOM 0 H VAL A 65 -14.116 -8.843 2.044 1.00 0.00 H new ATOM 0 HA VAL A 65 -13.219 -9.363 4.789 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.382 -9.421 2.362 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -9.710 -10.237 3.974 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.319 -8.624 4.413 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -10.897 -10.062 5.288 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -11.161 -11.836 2.779 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.410 -11.728 4.043 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -12.828 -11.389 2.346 1.00 0.00 H new ATOM 904 N ARG A 66 -12.462 -6.997 4.969 1.00 0.00 N ATOM 905 CA ARG A 66 -12.150 -5.579 5.107 1.00 0.00 C ATOM 906 C ARG A 66 -10.686 -5.379 5.486 1.00 0.00 C ATOM 907 O ARG A 66 -10.224 -5.889 6.508 1.00 0.00 O ATOM 908 CB ARG A 66 -13.060 -4.937 6.159 1.00 0.00 C ATOM 909 CG ARG A 66 -13.845 -3.745 5.636 1.00 0.00 C ATOM 910 CD ARG A 66 -14.658 -3.086 6.739 1.00 0.00 C ATOM 911 NE ARG A 66 -15.639 -4.001 7.316 1.00 0.00 N ATOM 912 CZ ARG A 66 -16.690 -3.606 8.031 1.00 0.00 C ATOM 913 NH1 ARG A 66 -16.902 -2.315 8.256 1.00 0.00 N ATOM 914 NH2 ARG A 66 -17.534 -4.505 8.522 1.00 0.00 N ATOM 0 H ARG A 66 -12.533 -7.501 5.853 1.00 0.00 H new ATOM 0 HA ARG A 66 -12.324 -5.096 4.145 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -13.758 -5.687 6.530 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -12.454 -4.619 7.007 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -13.158 -3.017 5.204 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.511 -4.069 4.836 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -13.987 -2.733 7.522 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -15.170 -2.211 6.339 1.00 0.00 H new ATOM 0 HE ARG A 66 -15.511 -5.001 7.162 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -16.258 -1.619 7.880 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -17.709 -2.019 8.805 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -17.377 -5.498 8.351 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -18.339 -4.203 9.070 1.00 0.00 H new ATOM 928 N TYR A 67 -9.961 -4.634 4.658 1.00 0.00 N ATOM 929 CA TYR A 67 -8.549 -4.366 4.907 1.00 0.00 C ATOM 930 C TYR A 67 -8.369 -3.070 5.691 1.00 0.00 C ATOM 931 O TYR A 67 -7.430 -2.932 6.474 1.00 0.00 O ATOM 932 CB TYR A 67 -7.784 -4.287 3.586 1.00 0.00 C ATOM 933 CG TYR A 67 -8.032 -5.462 2.668 1.00 0.00 C ATOM 934 CD1 TYR A 67 -7.241 -6.602 2.738 1.00 0.00 C ATOM 935 CD2 TYR A 67 -9.057 -5.431 1.731 1.00 0.00 C ATOM 936 CE1 TYR A 67 -7.464 -7.678 1.900 1.00 0.00 C ATOM 937 CE2 TYR A 67 -9.287 -6.503 0.889 1.00 0.00 C ATOM 938 CZ TYR A 67 -8.488 -7.623 0.978 1.00 0.00 C ATOM 939 OH TYR A 67 -8.713 -8.692 0.141 1.00 0.00 O ATOM 0 H TYR A 67 -10.328 -4.205 3.809 1.00 0.00 H new ATOM 0 HA TYR A 67 -8.149 -5.187 5.503 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -8.063 -3.369 3.069 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -6.717 -4.222 3.798 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -6.439 -6.648 3.459 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -9.685 -4.555 1.659 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -6.840 -8.557 1.967 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -10.088 -6.463 0.166 1.00 0.00 H new ATOM 0 HH TYR A 67 -9.596 -8.602 -0.274 1.00 0.00 H new ATOM 949 N PHE A 68 -9.274 -2.121 5.471 1.00 0.00 N ATOM 950 CA PHE A 68 -9.214 -0.835 6.156 1.00 0.00 C ATOM 951 C PHE A 68 -10.414 0.033 5.789 1.00 0.00 C ATOM 952 O PHE A 68 -11.216 -0.333 4.931 1.00 0.00 O ATOM 953 CB PHE A 68 -7.916 -0.107 5.801 1.00 0.00 C ATOM 954 CG PHE A 68 -7.663 -0.019 4.323 1.00 0.00 C ATOM 955 CD1 PHE A 68 -7.016 -1.046 3.656 1.00 0.00 C ATOM 956 CD2 PHE A 68 -8.074 1.090 3.602 1.00 0.00 C ATOM 957 CE1 PHE A 68 -6.782 -0.969 2.296 1.00 0.00 C ATOM 958 CE2 PHE A 68 -7.843 1.174 2.241 1.00 0.00 C ATOM 959 CZ PHE A 68 -7.197 0.142 1.588 1.00 0.00 C ATOM 0 H PHE A 68 -10.057 -2.219 4.824 1.00 0.00 H new ATOM 0 HA PHE A 68 -9.238 -1.021 7.230 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -7.948 0.900 6.217 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -7.079 -0.621 6.275 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.691 -1.917 4.205 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -8.581 1.898 4.108 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -6.276 -1.776 1.788 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -8.167 2.044 1.690 1.00 0.00 H new ATOM 0 HZ PHE A 68 -7.017 0.204 0.525 1.00 0.00 H new ATOM 969 N ILE A 69 -10.528 1.184 6.445 1.00 0.00 N ATOM 970 CA ILE A 69 -11.630 2.102 6.187 1.00 0.00 C ATOM 971 C ILE A 69 -11.118 3.446 5.679 1.00 0.00 C ATOM 972 O ILE A 69 -10.358 4.130 6.363 1.00 0.00 O ATOM 973 CB ILE A 69 -12.479 2.334 7.451 1.00 0.00 C ATOM 974 CG1 ILE A 69 -12.836 0.999 8.104 1.00 0.00 C ATOM 975 CG2 ILE A 69 -13.737 3.118 7.108 1.00 0.00 C ATOM 976 CD1 ILE A 69 -11.729 0.430 8.965 1.00 0.00 C ATOM 0 H ILE A 69 -9.871 1.502 7.158 1.00 0.00 H new ATOM 0 HA ILE A 69 -12.253 1.639 5.421 1.00 0.00 H new ATOM 0 HB ILE A 69 -11.894 2.918 8.162 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -13.729 1.130 8.715 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -13.086 0.279 7.325 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -14.326 3.274 8.012 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -13.460 4.083 6.685 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -14.327 2.559 6.382 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -12.053 -0.517 9.396 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -10.841 0.266 8.355 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -11.494 1.131 9.766 1.00 0.00 H new ATOM 988 N CYS A 70 -11.541 3.818 4.475 1.00 0.00 N ATOM 989 CA CYS A 70 -11.125 5.080 3.875 1.00 0.00 C ATOM 990 C CYS A 70 -12.288 5.741 3.139 1.00 0.00 C ATOM 991 O CYS A 70 -13.237 5.070 2.733 1.00 0.00 O ATOM 992 CB CYS A 70 -9.960 4.852 2.911 1.00 0.00 C ATOM 993 SG CYS A 70 -10.308 3.656 1.602 1.00 0.00 S ATOM 0 H CYS A 70 -12.171 3.263 3.896 1.00 0.00 H new ATOM 0 HA CYS A 70 -10.799 5.744 4.675 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -9.688 5.804 2.455 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -9.094 4.511 3.479 1.00 0.00 H new ATOM 0 HG CYS A 70 -9.851 2.489 1.948 1.00 0.00 H new ATOM 999 N PRO A 71 -12.229 7.071 2.955 1.00 0.00 N ATOM 1000 CA PRO A 71 -13.284 7.820 2.263 1.00 0.00 C ATOM 1001 C PRO A 71 -13.618 7.223 0.898 1.00 0.00 C ATOM 1002 O PRO A 71 -12.885 6.379 0.384 1.00 0.00 O ATOM 1003 CB PRO A 71 -12.682 9.218 2.103 1.00 0.00 C ATOM 1004 CG PRO A 71 -11.689 9.330 3.207 1.00 0.00 C ATOM 1005 CD PRO A 71 -11.132 7.948 3.407 1.00 0.00 C ATOM 0 HA PRO A 71 -14.223 7.807 2.817 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.207 9.335 1.129 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.448 9.990 2.179 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -10.899 10.036 2.951 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.160 9.696 4.119 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -10.225 7.791 2.823 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.875 7.765 4.450 1.00 0.00 H new ATOM 1013 N PRO A 72 -14.735 7.657 0.291 1.00 0.00 N ATOM 1014 CA PRO A 72 -15.166 7.162 -1.021 1.00 0.00 C ATOM 1015 C PRO A 72 -14.068 7.277 -2.073 1.00 0.00 C ATOM 1016 O PRO A 72 -13.607 8.374 -2.388 1.00 0.00 O ATOM 1017 CB PRO A 72 -16.344 8.071 -1.378 1.00 0.00 C ATOM 1018 CG PRO A 72 -16.864 8.551 -0.068 1.00 0.00 C ATOM 1019 CD PRO A 72 -15.667 8.664 0.835 1.00 0.00 C ATOM 0 HA PRO A 72 -15.423 6.103 -0.991 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -16.026 8.903 -2.006 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -17.109 7.528 -1.932 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -17.364 9.513 -0.175 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -17.597 7.855 0.340 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.237 9.665 0.810 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -15.925 8.454 1.873 1.00 0.00 H new ATOM 1027 N LYS A 73 -13.654 6.136 -2.616 1.00 0.00 N ATOM 1028 CA LYS A 73 -12.610 6.108 -3.634 1.00 0.00 C ATOM 1029 C LYS A 73 -11.315 6.714 -3.105 1.00 0.00 C ATOM 1030 O LYS A 73 -11.190 7.933 -2.988 1.00 0.00 O ATOM 1031 CB LYS A 73 -13.070 6.860 -4.885 1.00 0.00 C ATOM 1032 CG LYS A 73 -13.375 5.950 -6.065 1.00 0.00 C ATOM 1033 CD LYS A 73 -12.614 6.375 -7.311 1.00 0.00 C ATOM 1034 CE LYS A 73 -13.457 7.273 -8.203 1.00 0.00 C ATOM 1035 NZ LYS A 73 -13.464 6.803 -9.616 1.00 0.00 N ATOM 0 H LYS A 73 -14.026 5.219 -2.368 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.419 5.067 -3.895 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -13.961 7.439 -4.643 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -12.297 7.571 -5.176 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -13.113 4.923 -5.810 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -14.446 5.964 -6.269 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.704 6.900 -7.021 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.307 5.491 -7.870 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.479 7.303 -7.825 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.071 8.292 -8.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.049 7.442 -10.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -12.492 6.798 -9.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.856 5.841 -9.660 1.00 0.00 H new ATOM 1049 N GLN A 74 -10.352 5.854 -2.786 1.00 0.00 N ATOM 1050 CA GLN A 74 -9.065 6.306 -2.270 1.00 0.00 C ATOM 1051 C GLN A 74 -8.120 5.128 -2.060 1.00 0.00 C ATOM 1052 O GLN A 74 -6.924 5.219 -2.344 1.00 0.00 O ATOM 1053 CB GLN A 74 -9.257 7.063 -0.954 1.00 0.00 C ATOM 1054 CG GLN A 74 -8.370 8.289 -0.823 1.00 0.00 C ATOM 1055 CD GLN A 74 -8.844 9.239 0.259 1.00 0.00 C ATOM 1056 OE1 GLN A 74 -9.424 10.286 -0.028 1.00 0.00 O ATOM 1057 NE2 GLN A 74 -8.599 8.877 1.513 1.00 0.00 N ATOM 0 H GLN A 74 -10.439 4.842 -2.876 1.00 0.00 H new ATOM 0 HA GLN A 74 -8.622 6.977 -3.005 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -10.300 7.369 -0.869 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.054 6.388 -0.123 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -7.350 7.973 -0.603 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.342 8.816 -1.777 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.115 8.000 1.705 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -8.895 9.476 2.284 1.00 0.00 H new ATOM 1066 N GLY A 75 -8.661 4.022 -1.562 1.00 0.00 N ATOM 1067 CA GLY A 75 -7.852 2.842 -1.323 1.00 0.00 C ATOM 1068 C GLY A 75 -7.687 1.991 -2.567 1.00 0.00 C ATOM 1069 O GLY A 75 -8.666 1.479 -3.111 1.00 0.00 O ATOM 0 H GLY A 75 -9.647 3.922 -1.319 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.870 3.146 -0.961 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.311 2.244 -0.536 1.00 0.00 H new ATOM 1073 N LEU A 76 -6.446 1.837 -3.018 1.00 0.00 N ATOM 1074 CA LEU A 76 -6.157 1.042 -4.205 1.00 0.00 C ATOM 1075 C LEU A 76 -5.159 -0.067 -3.887 1.00 0.00 C ATOM 1076 O LEU A 76 -4.095 0.185 -3.323 1.00 0.00 O ATOM 1077 CB LEU A 76 -5.609 1.933 -5.320 1.00 0.00 C ATOM 1078 CG LEU A 76 -5.404 1.236 -6.666 1.00 0.00 C ATOM 1079 CD1 LEU A 76 -6.731 0.732 -7.213 1.00 0.00 C ATOM 1080 CD2 LEU A 76 -4.739 2.177 -7.658 1.00 0.00 C ATOM 0 H LEU A 76 -5.625 2.253 -2.579 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.087 0.584 -4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.291 2.771 -5.463 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.656 2.350 -4.995 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.748 0.379 -6.514 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.566 0.239 -8.171 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -7.168 0.023 -6.510 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.411 1.573 -7.350 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.601 1.664 -8.610 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.369 3.054 -7.806 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.769 2.489 -7.270 1.00 0.00 H new ATOM 1092 N PHE A 77 -5.511 -1.295 -4.252 1.00 0.00 N ATOM 1093 CA PHE A 77 -4.647 -2.444 -4.006 1.00 0.00 C ATOM 1094 C PHE A 77 -3.831 -2.785 -5.248 1.00 0.00 C ATOM 1095 O PHE A 77 -4.385 -3.133 -6.291 1.00 0.00 O ATOM 1096 CB PHE A 77 -5.481 -3.653 -3.581 1.00 0.00 C ATOM 1097 CG PHE A 77 -6.371 -3.385 -2.401 1.00 0.00 C ATOM 1098 CD1 PHE A 77 -7.594 -2.752 -2.567 1.00 0.00 C ATOM 1099 CD2 PHE A 77 -5.986 -3.764 -1.125 1.00 0.00 C ATOM 1100 CE1 PHE A 77 -8.415 -2.504 -1.484 1.00 0.00 C ATOM 1101 CE2 PHE A 77 -6.802 -3.518 -0.038 1.00 0.00 C ATOM 1102 CZ PHE A 77 -8.018 -2.887 -0.217 1.00 0.00 C ATOM 0 H PHE A 77 -6.389 -1.520 -4.719 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.959 -2.185 -3.201 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -6.095 -3.975 -4.423 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -4.812 -4.479 -3.340 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -7.908 -2.449 -3.555 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -5.037 -4.258 -0.979 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -9.365 -2.012 -1.627 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.490 -3.819 0.951 1.00 0.00 H new ATOM 0 HZ PHE A 77 -8.657 -2.693 0.632 1.00 0.00 H new ATOM 1112 N ALA A 78 -2.511 -2.686 -5.128 1.00 0.00 N ATOM 1113 CA ALA A 78 -1.618 -2.986 -6.241 1.00 0.00 C ATOM 1114 C ALA A 78 -0.442 -3.843 -5.786 1.00 0.00 C ATOM 1115 O ALA A 78 -0.209 -4.008 -4.588 1.00 0.00 O ATOM 1116 CB ALA A 78 -1.119 -1.697 -6.879 1.00 0.00 C ATOM 0 H ALA A 78 -2.036 -2.400 -4.271 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.180 -3.552 -6.983 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -0.453 -1.936 -7.708 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.968 -1.122 -7.249 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.578 -1.109 -6.137 1.00 0.00 H new ATOM 1122 N SER A 79 0.296 -4.387 -6.748 1.00 0.00 N ATOM 1123 CA SER A 79 1.448 -5.228 -6.445 1.00 0.00 C ATOM 1124 C SER A 79 2.635 -4.382 -5.994 1.00 0.00 C ATOM 1125 O SER A 79 2.810 -3.250 -6.445 1.00 0.00 O ATOM 1126 CB SER A 79 1.835 -6.060 -7.668 1.00 0.00 C ATOM 1127 OG SER A 79 1.187 -7.320 -7.654 1.00 0.00 O ATOM 0 H SER A 79 0.117 -4.260 -7.744 1.00 0.00 H new ATOM 0 HA SER A 79 1.173 -5.899 -5.631 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.569 -5.521 -8.577 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.915 -6.203 -7.687 1.00 0.00 H new ATOM 0 HG SER A 79 1.251 -7.711 -6.757 1.00 0.00 H new ATOM 1133 N VAL A 80 3.448 -4.938 -5.102 1.00 0.00 N ATOM 1134 CA VAL A 80 4.618 -4.236 -4.591 1.00 0.00 C ATOM 1135 C VAL A 80 5.577 -3.869 -5.718 1.00 0.00 C ATOM 1136 O VAL A 80 6.279 -2.861 -5.647 1.00 0.00 O ATOM 1137 CB VAL A 80 5.371 -5.084 -3.548 1.00 0.00 C ATOM 1138 CG1 VAL A 80 4.585 -5.160 -2.247 1.00 0.00 C ATOM 1139 CG2 VAL A 80 5.653 -6.475 -4.095 1.00 0.00 C ATOM 0 H VAL A 80 3.317 -5.874 -4.718 1.00 0.00 H new ATOM 0 HA VAL A 80 4.256 -3.325 -4.115 1.00 0.00 H new ATOM 0 HB VAL A 80 6.325 -4.602 -3.336 1.00 0.00 H new ATOM 0 HG11 VAL A 80 5.135 -5.763 -1.525 1.00 0.00 H new ATOM 0 HG12 VAL A 80 4.444 -4.156 -1.848 1.00 0.00 H new ATOM 0 HG13 VAL A 80 3.613 -5.616 -2.435 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.185 -7.060 -3.345 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.712 -6.968 -4.339 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.264 -6.395 -4.994 1.00 0.00 H new ATOM 1149 N SER A 81 5.601 -4.694 -6.760 1.00 0.00 N ATOM 1150 CA SER A 81 6.474 -4.455 -7.904 1.00 0.00 C ATOM 1151 C SER A 81 6.149 -3.121 -8.569 1.00 0.00 C ATOM 1152 O SER A 81 7.023 -2.476 -9.147 1.00 0.00 O ATOM 1153 CB SER A 81 6.339 -5.592 -8.920 1.00 0.00 C ATOM 1154 OG SER A 81 6.552 -6.851 -8.308 1.00 0.00 O ATOM 0 H SER A 81 5.026 -5.533 -6.836 1.00 0.00 H new ATOM 0 HA SER A 81 7.502 -4.418 -7.544 1.00 0.00 H new ATOM 0 HB2 SER A 81 5.346 -5.566 -9.370 1.00 0.00 H new ATOM 0 HB3 SER A 81 7.058 -5.450 -9.727 1.00 0.00 H new ATOM 0 HG SER A 81 6.458 -7.560 -8.978 1.00 0.00 H new ATOM 1160 N LYS A 82 4.887 -2.714 -8.484 1.00 0.00 N ATOM 1161 CA LYS A 82 4.447 -1.457 -9.078 1.00 0.00 C ATOM 1162 C LYS A 82 4.388 -0.351 -8.029 1.00 0.00 C ATOM 1163 O LYS A 82 3.565 0.561 -8.121 1.00 0.00 O ATOM 1164 CB LYS A 82 3.075 -1.629 -9.732 1.00 0.00 C ATOM 1165 CG LYS A 82 3.117 -2.416 -11.033 1.00 0.00 C ATOM 1166 CD LYS A 82 1.755 -2.446 -11.709 1.00 0.00 C ATOM 1167 CE LYS A 82 0.860 -3.517 -11.109 1.00 0.00 C ATOM 1168 NZ LYS A 82 -0.069 -2.959 -10.088 1.00 0.00 N ATOM 0 H LYS A 82 4.151 -3.237 -8.009 1.00 0.00 H new ATOM 0 HA LYS A 82 5.172 -1.172 -9.841 1.00 0.00 H new ATOM 0 HB2 LYS A 82 2.409 -2.134 -9.033 1.00 0.00 H new ATOM 0 HB3 LYS A 82 2.648 -0.645 -9.925 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.849 -1.970 -11.706 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.448 -3.435 -10.833 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.276 -1.472 -11.609 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.881 -2.631 -12.776 1.00 0.00 H new ATOM 0 HE2 LYS A 82 0.284 -3.994 -11.902 1.00 0.00 H new ATOM 0 HE3 LYS A 82 1.477 -4.292 -10.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -0.916 -3.559 -10.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.407 -2.933 -9.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -0.347 -1.995 -10.362 1.00 0.00 H new ATOM 1182 N ILE A 83 5.264 -0.436 -7.033 1.00 0.00 N ATOM 1183 CA ILE A 83 5.310 0.558 -5.968 1.00 0.00 C ATOM 1184 C ILE A 83 6.732 0.736 -5.446 1.00 0.00 C ATOM 1185 O ILE A 83 7.552 -0.178 -5.523 1.00 0.00 O ATOM 1186 CB ILE A 83 4.389 0.169 -4.795 1.00 0.00 C ATOM 1187 CG1 ILE A 83 3.002 -0.217 -5.313 1.00 0.00 C ATOM 1188 CG2 ILE A 83 4.290 1.313 -3.799 1.00 0.00 C ATOM 1189 CD1 ILE A 83 2.047 -0.648 -4.221 1.00 0.00 C ATOM 0 H ILE A 83 5.952 -1.184 -6.942 1.00 0.00 H new ATOM 0 HA ILE A 83 4.961 1.498 -6.396 1.00 0.00 H new ATOM 0 HB ILE A 83 4.818 -0.694 -4.286 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.573 0.632 -5.846 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.105 -1.027 -6.035 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.636 1.024 -2.976 1.00 0.00 H new ATOM 0 HG22 ILE A 83 5.282 1.544 -3.410 1.00 0.00 H new ATOM 0 HG23 ILE A 83 3.881 2.193 -4.295 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.084 -0.907 -4.661 1.00 0.00 H new ATOM 0 HD12 ILE A 83 2.454 -1.516 -3.703 1.00 0.00 H new ATOM 0 HD13 ILE A 83 1.914 0.168 -3.511 1.00 0.00 H new ATOM 1201 N SER A 84 7.016 1.919 -4.912 1.00 0.00 N ATOM 1202 CA SER A 84 8.338 2.218 -4.376 1.00 0.00 C ATOM 1203 C SER A 84 8.234 2.869 -3.000 1.00 0.00 C ATOM 1204 O SER A 84 7.262 3.563 -2.703 1.00 0.00 O ATOM 1205 CB SER A 84 9.104 3.136 -5.330 1.00 0.00 C ATOM 1206 OG SER A 84 8.482 4.406 -5.426 1.00 0.00 O ATOM 0 H SER A 84 6.348 2.686 -4.839 1.00 0.00 H new ATOM 0 HA SER A 84 8.881 1.278 -4.274 1.00 0.00 H new ATOM 0 HB2 SER A 84 10.129 3.255 -4.980 1.00 0.00 H new ATOM 0 HB3 SER A 84 9.156 2.677 -6.318 1.00 0.00 H new ATOM 0 HG SER A 84 8.992 4.974 -6.040 1.00 0.00 H new ATOM 1212 N LYS A 85 9.243 2.640 -2.165 1.00 0.00 N ATOM 1213 CA LYS A 85 9.264 3.204 -0.821 1.00 0.00 C ATOM 1214 C LYS A 85 9.235 4.728 -0.871 1.00 0.00 C ATOM 1215 O LYS A 85 10.002 5.351 -1.605 1.00 0.00 O ATOM 1216 CB LYS A 85 10.508 2.730 -0.067 1.00 0.00 C ATOM 1217 CG LYS A 85 10.277 1.472 0.754 1.00 0.00 C ATOM 1218 CD LYS A 85 11.463 0.524 0.670 1.00 0.00 C ATOM 1219 CE LYS A 85 11.470 -0.244 -0.641 1.00 0.00 C ATOM 1220 NZ LYS A 85 12.735 -1.006 -0.833 1.00 0.00 N ATOM 0 H LYS A 85 10.056 2.068 -2.396 1.00 0.00 H new ATOM 0 HA LYS A 85 8.375 2.859 -0.294 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.309 2.545 -0.783 1.00 0.00 H new ATOM 0 HB3 LYS A 85 10.849 3.528 0.593 1.00 0.00 H new ATOM 0 HG2 LYS A 85 10.100 1.743 1.795 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.379 0.965 0.400 1.00 0.00 H new ATOM 0 HD2 LYS A 85 12.390 1.090 0.767 1.00 0.00 H new ATOM 0 HD3 LYS A 85 11.429 -0.177 1.504 1.00 0.00 H new ATOM 0 HE2 LYS A 85 10.625 -0.932 -0.663 1.00 0.00 H new ATOM 0 HE3 LYS A 85 11.336 0.451 -1.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 12.699 -1.516 -1.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.540 -0.347 -0.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 12.851 -1.688 -0.056 1.00 0.00 H new ATOM 1234 N ALA A 86 8.343 5.324 -0.085 1.00 0.00 N ATOM 1235 CA ALA A 86 8.212 6.775 -0.040 1.00 0.00 C ATOM 1236 C ALA A 86 8.938 7.353 1.171 1.00 0.00 C ATOM 1237 O ALA A 86 8.350 8.075 1.976 1.00 0.00 O ATOM 1238 CB ALA A 86 6.743 7.171 -0.020 1.00 0.00 C ATOM 0 H ALA A 86 7.701 4.824 0.529 1.00 0.00 H new ATOM 0 HA ALA A 86 8.674 7.187 -0.937 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.659 8.257 0.014 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.253 6.797 -0.919 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.263 6.743 0.860 1.00 0.00 H new ATOM 1244 N VAL A 87 10.222 7.030 1.295 1.00 0.00 N ATOM 1245 CA VAL A 87 11.029 7.517 2.407 1.00 0.00 C ATOM 1246 C VAL A 87 12.197 8.361 1.909 1.00 0.00 C ATOM 1247 O VAL A 87 13.259 8.400 2.531 1.00 0.00 O ATOM 1248 CB VAL A 87 11.578 6.355 3.257 1.00 0.00 C ATOM 1249 CG1 VAL A 87 12.183 6.877 4.553 1.00 0.00 C ATOM 1250 CG2 VAL A 87 10.483 5.337 3.543 1.00 0.00 C ATOM 0 H VAL A 87 10.725 6.433 0.639 1.00 0.00 H new ATOM 0 HA VAL A 87 10.375 8.132 3.025 1.00 0.00 H new ATOM 0 HB VAL A 87 12.366 5.858 2.691 1.00 0.00 H new ATOM 0 HG11 VAL A 87 12.565 6.041 5.139 1.00 0.00 H new ATOM 0 HG12 VAL A 87 12.999 7.562 4.324 1.00 0.00 H new ATOM 0 HG13 VAL A 87 11.419 7.402 5.126 1.00 0.00 H new ATOM 0 HG21 VAL A 87 10.890 4.524 4.144 1.00 0.00 H new ATOM 0 HG22 VAL A 87 9.671 5.819 4.087 1.00 0.00 H new ATOM 0 HG23 VAL A 87 10.103 4.938 2.603 1.00 0.00 H new ATOM 1260 N ASP A 88 11.994 9.038 0.782 1.00 0.00 N ATOM 1261 CA ASP A 88 13.030 9.882 0.200 1.00 0.00 C ATOM 1262 C ASP A 88 14.282 9.070 -0.117 1.00 0.00 C ATOM 1263 O ASP A 88 14.347 7.874 0.169 1.00 0.00 O ATOM 1264 CB ASP A 88 13.377 11.029 1.152 1.00 0.00 C ATOM 1265 CG ASP A 88 13.483 12.362 0.438 1.00 0.00 C ATOM 1266 OD1 ASP A 88 12.432 12.997 0.206 1.00 0.00 O ATOM 1267 OD2 ASP A 88 14.616 12.772 0.109 1.00 0.00 O ATOM 0 H ASP A 88 11.121 9.018 0.255 1.00 0.00 H new ATOM 0 HA ASP A 88 12.645 10.296 -0.732 1.00 0.00 H new ATOM 0 HB2 ASP A 88 12.615 11.096 1.929 1.00 0.00 H new ATOM 0 HB3 ASP A 88 14.322 10.811 1.650 1.00 0.00 H new ATOM 1272 N ALA A 89 15.273 9.728 -0.710 1.00 0.00 N ATOM 1273 CA ALA A 89 16.524 9.067 -1.065 1.00 0.00 C ATOM 1274 C ALA A 89 17.707 10.016 -0.915 1.00 0.00 C ATOM 1275 O ALA A 89 18.174 10.602 -1.892 1.00 0.00 O ATOM 1276 CB ALA A 89 16.451 8.530 -2.487 1.00 0.00 C ATOM 0 H ALA A 89 15.234 10.717 -0.955 1.00 0.00 H new ATOM 0 HA ALA A 89 16.673 8.232 -0.380 1.00 0.00 H new ATOM 0 HB1 ALA A 89 17.391 8.039 -2.739 1.00 0.00 H new ATOM 0 HB2 ALA A 89 15.635 7.812 -2.563 1.00 0.00 H new ATOM 0 HB3 ALA A 89 16.275 9.354 -3.179 1.00 0.00 H new ATOM 1282 N SER A 90 18.188 10.165 0.315 1.00 0.00 N ATOM 1283 CA SER A 90 19.317 11.044 0.593 1.00 0.00 C ATOM 1284 C SER A 90 20.638 10.356 0.264 1.00 0.00 C ATOM 1285 O SER A 90 21.591 10.999 -0.176 1.00 0.00 O ATOM 1286 CB SER A 90 19.305 11.475 2.061 1.00 0.00 C ATOM 1287 OG SER A 90 18.046 12.012 2.425 1.00 0.00 O ATOM 0 H SER A 90 17.813 9.688 1.135 1.00 0.00 H new ATOM 0 HA SER A 90 19.221 11.927 -0.039 1.00 0.00 H new ATOM 0 HB2 SER A 90 19.536 10.620 2.696 1.00 0.00 H new ATOM 0 HB3 SER A 90 20.084 12.218 2.231 1.00 0.00 H new ATOM 0 HG SER A 90 18.064 12.278 3.368 1.00 0.00 H new ATOM 1293 N GLY A 91 20.688 9.046 0.480 1.00 0.00 N ATOM 1294 CA GLY A 91 21.897 8.295 0.199 1.00 0.00 C ATOM 1295 C GLY A 91 22.041 7.070 1.085 1.00 0.00 C ATOM 1296 O GLY A 91 22.554 7.168 2.199 1.00 0.00 O ATOM 0 H GLY A 91 19.913 8.491 0.844 1.00 0.00 H new ATOM 0 HA2 GLY A 91 21.893 7.985 -0.846 1.00 0.00 H new ATOM 0 HA3 GLY A 91 22.763 8.942 0.336 1.00 0.00 H new ATOM 1300 N PRO A 92 21.597 5.892 0.613 1.00 0.00 N ATOM 1301 CA PRO A 92 21.689 4.648 1.384 1.00 0.00 C ATOM 1302 C PRO A 92 23.131 4.180 1.554 1.00 0.00 C ATOM 1303 O PRO A 92 23.520 3.131 1.041 1.00 0.00 O ATOM 1304 CB PRO A 92 20.894 3.645 0.543 1.00 0.00 C ATOM 1305 CG PRO A 92 20.954 4.183 -0.845 1.00 0.00 C ATOM 1306 CD PRO A 92 20.973 5.680 -0.706 1.00 0.00 C ATOM 0 HA PRO A 92 21.307 4.767 2.398 1.00 0.00 H new ATOM 0 HB2 PRO A 92 21.330 2.647 0.600 1.00 0.00 H new ATOM 0 HB3 PRO A 92 19.865 3.564 0.892 1.00 0.00 H new ATOM 0 HG2 PRO A 92 21.844 3.828 -1.364 1.00 0.00 H new ATOM 0 HG3 PRO A 92 20.093 3.856 -1.428 1.00 0.00 H new ATOM 0 HD2 PRO A 92 21.549 6.150 -1.503 1.00 0.00 H new ATOM 0 HD3 PRO A 92 19.968 6.100 -0.748 1.00 0.00 H new ATOM 1314 N SER A 93 23.921 4.967 2.277 1.00 0.00 N ATOM 1315 CA SER A 93 25.322 4.636 2.514 1.00 0.00 C ATOM 1316 C SER A 93 25.650 4.689 4.002 1.00 0.00 C ATOM 1317 O SER A 93 26.055 5.729 4.522 1.00 0.00 O ATOM 1318 CB SER A 93 26.230 5.596 1.745 1.00 0.00 C ATOM 1319 OG SER A 93 26.056 5.453 0.346 1.00 0.00 O ATOM 0 H SER A 93 23.615 5.839 2.709 1.00 0.00 H new ATOM 0 HA SER A 93 25.495 3.620 2.159 1.00 0.00 H new ATOM 0 HB2 SER A 93 26.011 6.623 2.039 1.00 0.00 H new ATOM 0 HB3 SER A 93 27.271 5.405 2.006 1.00 0.00 H new ATOM 0 HG SER A 93 26.647 6.079 -0.123 1.00 0.00 H new ATOM 1325 N SER A 94 25.475 3.561 4.683 1.00 0.00 N ATOM 1326 CA SER A 94 25.753 3.479 6.111 1.00 0.00 C ATOM 1327 C SER A 94 27.089 2.788 6.365 1.00 0.00 C ATOM 1328 O SER A 94 27.292 1.642 5.963 1.00 0.00 O ATOM 1329 CB SER A 94 24.632 2.728 6.830 1.00 0.00 C ATOM 1330 OG SER A 94 23.390 3.392 6.673 1.00 0.00 O ATOM 0 H SER A 94 25.142 2.691 4.268 1.00 0.00 H new ATOM 0 HA SER A 94 25.808 4.494 6.504 1.00 0.00 H new ATOM 0 HB2 SER A 94 24.558 1.714 6.436 1.00 0.00 H new ATOM 0 HB3 SER A 94 24.870 2.641 7.890 1.00 0.00 H new ATOM 0 HG SER A 94 22.690 2.891 7.141 1.00 0.00 H new ATOM 1336 N GLY A 95 27.997 3.491 7.033 1.00 0.00 N ATOM 1337 CA GLY A 95 29.301 2.928 7.327 1.00 0.00 C ATOM 1338 C GLY A 95 30.301 3.978 7.772 1.00 0.00 C ATOM 1339 O GLY A 95 31.488 3.633 7.943 1.00 0.00 O ATOM 1340 OXT GLY A 95 29.895 5.146 7.947 1.00 0.00 O ATOM 0 H GLY A 95 27.853 4.441 7.376 1.00 0.00 H new ATOM 0 HA2 GLY A 95 29.200 2.174 8.107 1.00 0.00 H new ATOM 0 HA3 GLY A 95 29.682 2.421 6.441 1.00 0.00 H new TER 1344 GLY A 95