USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 725 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 14 HIS : no HD1:sc= -2.22 K(o=-2.2,f=-2.8) USER MOD Set 1.2: A 92 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 87 SER OG : rot -69:sc= -1.18! USER MOD Set 2.2: A 88 GLN : amide:sc= -4.67! C(o=-5.8!,f=-7!) 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 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 135:sc= -1.67 (180deg=-2.39) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot -104:sc= 0.413 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -1.9 X(o=-1.9,f=-2.2) USER MOD Single : A 46 HIS : no HD1:sc= -0.161 K(o=-0.16,f=-1.3) USER MOD Single : A 53 SER OG : rot -72:sc= 0.833 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -64:sc= 0.626 USER MOD Single : A 66 ASN : amide:sc= -2.3 K(o=-2.3,f=-8.3!) USER MOD Single : A 68 THR OG1 : rot 96:sc= 0.312 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 78 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 85 THR OG1 : rot 30:sc= 0.0705 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -3.92 K(o=-3.9,f=-2.7) USER MOD Single : A 98 CYS SG : rot 180:sc= -0.239 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.356 11.590 -27.627 1.00 0.00 N ATOM 2 CA GLY A 1 4.653 10.799 -28.806 1.00 0.00 C ATOM 3 C GLY A 1 4.556 9.309 -28.545 1.00 0.00 C ATOM 4 O GLY A 1 3.913 8.580 -29.300 1.00 0.00 O ATOM 0 H1 GLY A 1 4.436 12.601 -27.858 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.389 11.384 -27.305 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.030 11.353 -26.871 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.963 11.070 -29.605 1.00 0.00 H new ATOM 0 HA3 GLY A 1 5.657 11.039 -29.157 1.00 0.00 H new ATOM 8 N SER A 2 5.199 8.855 -27.474 1.00 0.00 N ATOM 9 CA SER A 2 5.186 7.441 -27.118 1.00 0.00 C ATOM 10 C SER A 2 3.841 7.043 -26.517 1.00 0.00 C ATOM 11 O SER A 2 3.617 7.192 -25.316 1.00 0.00 O ATOM 12 CB SER A 2 6.311 7.133 -26.127 1.00 0.00 C ATOM 13 OG SER A 2 6.661 5.760 -26.163 1.00 0.00 O ATOM 0 H SER A 2 5.735 9.445 -26.838 1.00 0.00 H new ATOM 0 HA SER A 2 5.343 6.862 -28.028 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.185 7.740 -26.363 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.997 7.405 -25.119 1.00 0.00 H new ATOM 0 HG SER A 2 7.383 5.589 -25.522 1.00 0.00 H new ATOM 19 N SER A 3 2.949 6.537 -27.363 1.00 0.00 N ATOM 20 CA SER A 3 1.624 6.121 -26.918 1.00 0.00 C ATOM 21 C SER A 3 0.999 7.178 -26.012 1.00 0.00 C ATOM 22 O SER A 3 0.389 6.855 -24.994 1.00 0.00 O ATOM 23 CB SER A 3 1.707 4.784 -26.180 1.00 0.00 C ATOM 24 OG SER A 3 1.683 3.697 -27.089 1.00 0.00 O ATOM 0 H SER A 3 3.120 6.405 -28.360 1.00 0.00 H new ATOM 0 HA SER A 3 0.992 6.003 -27.798 1.00 0.00 H new ATOM 0 HB2 SER A 3 2.622 4.748 -25.589 1.00 0.00 H new ATOM 0 HB3 SER A 3 0.874 4.698 -25.483 1.00 0.00 H new ATOM 0 HG SER A 3 1.739 2.854 -26.592 1.00 0.00 H new ATOM 30 N GLY A 4 1.157 8.442 -26.391 1.00 0.00 N ATOM 31 CA GLY A 4 0.603 9.528 -25.603 1.00 0.00 C ATOM 32 C GLY A 4 1.639 10.185 -24.713 1.00 0.00 C ATOM 33 O GLY A 4 2.805 9.789 -24.708 1.00 0.00 O ATOM 0 H GLY A 4 1.659 8.734 -27.230 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.175 10.276 -26.271 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.212 9.147 -24.987 1.00 0.00 H new ATOM 37 N SER A 5 1.215 11.195 -23.960 1.00 0.00 N ATOM 38 CA SER A 5 2.117 11.913 -23.066 1.00 0.00 C ATOM 39 C SER A 5 2.173 11.241 -21.697 1.00 0.00 C ATOM 40 O SER A 5 1.155 10.790 -21.172 1.00 0.00 O ATOM 41 CB SER A 5 1.667 13.367 -22.915 1.00 0.00 C ATOM 42 OG SER A 5 2.439 14.040 -21.936 1.00 0.00 O ATOM 0 H SER A 5 0.253 11.535 -23.951 1.00 0.00 H new ATOM 0 HA SER A 5 3.115 11.892 -23.503 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.759 13.881 -23.872 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.614 13.398 -22.637 1.00 0.00 H new ATOM 0 HG SER A 5 2.133 14.968 -21.859 1.00 0.00 H new ATOM 48 N SER A 6 3.371 11.179 -21.124 1.00 0.00 N ATOM 49 CA SER A 6 3.562 10.560 -19.818 1.00 0.00 C ATOM 50 C SER A 6 2.454 10.971 -18.854 1.00 0.00 C ATOM 51 O SER A 6 2.138 12.153 -18.722 1.00 0.00 O ATOM 52 CB SER A 6 4.925 10.947 -19.241 1.00 0.00 C ATOM 53 OG SER A 6 5.975 10.574 -20.118 1.00 0.00 O ATOM 0 H SER A 6 4.223 11.550 -21.544 1.00 0.00 H new ATOM 0 HA SER A 6 3.524 9.478 -19.948 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.957 12.022 -19.067 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.065 10.463 -18.274 1.00 0.00 H new ATOM 0 HG SER A 6 6.835 10.834 -19.727 1.00 0.00 H new ATOM 59 N GLY A 7 1.867 9.986 -18.182 1.00 0.00 N ATOM 60 CA GLY A 7 0.800 10.264 -17.238 1.00 0.00 C ATOM 61 C GLY A 7 1.119 9.772 -15.840 1.00 0.00 C ATOM 62 O GLY A 7 1.841 10.432 -15.092 1.00 0.00 O ATOM 0 H GLY A 7 2.111 9.000 -18.274 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.616 11.338 -17.209 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.120 9.792 -17.585 1.00 0.00 H new ATOM 66 N ASP A 8 0.579 8.611 -15.486 1.00 0.00 N ATOM 67 CA ASP A 8 0.810 8.031 -14.168 1.00 0.00 C ATOM 68 C ASP A 8 1.826 6.897 -14.244 1.00 0.00 C ATOM 69 O ASP A 8 1.594 5.886 -14.905 1.00 0.00 O ATOM 70 CB ASP A 8 -0.504 7.517 -13.577 1.00 0.00 C ATOM 71 CG ASP A 8 -0.438 7.359 -12.070 1.00 0.00 C ATOM 72 OD1 ASP A 8 0.334 6.499 -11.598 1.00 0.00 O ATOM 73 OD2 ASP A 8 -1.159 8.095 -11.364 1.00 0.00 O ATOM 0 H ASP A 8 -0.022 8.053 -16.093 1.00 0.00 H new ATOM 0 HA ASP A 8 1.211 8.810 -13.520 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -1.308 8.207 -13.832 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -0.752 6.557 -14.030 1.00 0.00 H new ATOM 78 N ASN A 9 2.954 7.073 -13.563 1.00 0.00 N ATOM 79 CA ASN A 9 4.007 6.064 -13.554 1.00 0.00 C ATOM 80 C ASN A 9 3.998 5.278 -12.247 1.00 0.00 C ATOM 81 O ASN A 9 4.775 5.561 -11.335 1.00 0.00 O ATOM 82 CB ASN A 9 5.374 6.722 -13.757 1.00 0.00 C ATOM 83 CG ASN A 9 5.616 7.119 -15.201 1.00 0.00 C ATOM 84 OD1 ASN A 9 5.772 6.264 -16.073 1.00 0.00 O ATOM 85 ND2 ASN A 9 5.649 8.421 -15.458 1.00 0.00 N ATOM 0 H ASN A 9 3.162 7.905 -13.010 1.00 0.00 H new ATOM 0 HA ASN A 9 3.818 5.371 -14.374 1.00 0.00 H new ATOM 0 HB2 ASN A 9 5.447 7.606 -13.123 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.156 6.034 -13.436 1.00 0.00 H new ATOM 0 HD21 ASN A 9 5.809 8.749 -16.411 1.00 0.00 H new ATOM 0 HD22 ASN A 9 5.514 9.093 -14.703 1.00 0.00 H new ATOM 92 N CYS A 10 3.113 4.291 -12.163 1.00 0.00 N ATOM 93 CA CYS A 10 3.002 3.463 -10.967 1.00 0.00 C ATOM 94 C CYS A 10 3.357 2.012 -11.274 1.00 0.00 C ATOM 95 O CYS A 10 3.205 1.552 -12.406 1.00 0.00 O ATOM 96 CB CYS A 10 1.585 3.544 -10.396 1.00 0.00 C ATOM 97 SG CYS A 10 0.309 2.882 -11.492 1.00 0.00 S ATOM 0 H CYS A 10 2.462 4.044 -12.908 1.00 0.00 H new ATOM 0 HA CYS A 10 3.707 3.841 -10.227 1.00 0.00 H new ATOM 0 HB2 CYS A 10 1.554 3.002 -9.451 1.00 0.00 H new ATOM 0 HB3 CYS A 10 1.353 4.586 -10.174 1.00 0.00 H new ATOM 0 HG CYS A 10 -0.854 2.993 -10.921 1.00 0.00 H new ATOM 103 N ARG A 11 3.832 1.297 -10.260 1.00 0.00 N ATOM 104 CA ARG A 11 4.212 -0.101 -10.423 1.00 0.00 C ATOM 105 C ARG A 11 3.149 -1.025 -9.836 1.00 0.00 C ATOM 106 O ARG A 11 2.804 -0.921 -8.660 1.00 0.00 O ATOM 107 CB ARG A 11 5.561 -0.367 -9.751 1.00 0.00 C ATOM 108 CG ARG A 11 6.078 -1.780 -9.962 1.00 0.00 C ATOM 109 CD ARG A 11 7.061 -2.182 -8.873 1.00 0.00 C ATOM 110 NE ARG A 11 8.429 -1.787 -9.197 1.00 0.00 N ATOM 111 CZ ARG A 11 9.430 -1.822 -8.325 1.00 0.00 C ATOM 112 NH1 ARG A 11 9.218 -2.233 -7.083 1.00 0.00 N ATOM 113 NH2 ARG A 11 10.648 -1.446 -8.696 1.00 0.00 N ATOM 0 H ARG A 11 3.963 1.663 -9.317 1.00 0.00 H new ATOM 0 HA ARG A 11 4.298 -0.306 -11.490 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.295 0.341 -10.136 1.00 0.00 H new ATOM 0 HB3 ARG A 11 5.468 -0.179 -8.681 1.00 0.00 H new ATOM 0 HG2 ARG A 11 5.240 -2.477 -9.973 1.00 0.00 H new ATOM 0 HG3 ARG A 11 6.563 -1.849 -10.936 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.765 -1.723 -7.930 1.00 0.00 H new ATOM 0 HD3 ARG A 11 7.020 -3.262 -8.728 1.00 0.00 H new ATOM 0 HE ARG A 11 8.627 -1.467 -10.145 1.00 0.00 H new ATOM 0 HH11 ARG A 11 8.284 -2.524 -6.794 1.00 0.00 H new ATOM 0 HH12 ARG A 11 9.989 -2.259 -6.416 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.815 -1.130 -9.651 1.00 0.00 H new ATOM 0 HH22 ARG A 11 11.416 -1.473 -8.026 1.00 0.00 H new ATOM 127 N GLU A 12 2.634 -1.928 -10.666 1.00 0.00 N ATOM 128 CA GLU A 12 1.609 -2.869 -10.229 1.00 0.00 C ATOM 129 C GLU A 12 2.238 -4.170 -9.740 1.00 0.00 C ATOM 130 O GLU A 12 2.787 -4.942 -10.528 1.00 0.00 O ATOM 131 CB GLU A 12 0.632 -3.159 -11.370 1.00 0.00 C ATOM 132 CG GLU A 12 -0.681 -3.768 -10.907 1.00 0.00 C ATOM 133 CD GLU A 12 -1.580 -4.163 -12.062 1.00 0.00 C ATOM 134 OE1 GLU A 12 -1.064 -4.328 -13.187 1.00 0.00 O ATOM 135 OE2 GLU A 12 -2.801 -4.308 -11.840 1.00 0.00 O ATOM 0 H GLU A 12 2.910 -2.027 -11.643 1.00 0.00 H new ATOM 0 HA GLU A 12 1.065 -2.415 -9.401 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.424 -2.232 -11.904 1.00 0.00 H new ATOM 0 HB3 GLU A 12 1.107 -3.836 -12.080 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.474 -4.646 -10.296 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -1.205 -3.054 -10.272 1.00 0.00 H new ATOM 142 N VAL A 13 2.155 -4.408 -8.435 1.00 0.00 N ATOM 143 CA VAL A 13 2.715 -5.615 -7.840 1.00 0.00 C ATOM 144 C VAL A 13 1.624 -6.477 -7.216 1.00 0.00 C ATOM 145 O VAL A 13 1.132 -6.182 -6.126 1.00 0.00 O ATOM 146 CB VAL A 13 3.765 -5.277 -6.765 1.00 0.00 C ATOM 147 CG1 VAL A 13 4.425 -6.544 -6.245 1.00 0.00 C ATOM 148 CG2 VAL A 13 4.804 -4.314 -7.320 1.00 0.00 C ATOM 0 H VAL A 13 1.705 -3.780 -7.769 1.00 0.00 H new ATOM 0 HA VAL A 13 3.197 -6.170 -8.645 1.00 0.00 H new ATOM 0 HB VAL A 13 3.261 -4.791 -5.930 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.164 -6.285 -5.487 1.00 0.00 H new ATOM 0 HG12 VAL A 13 3.668 -7.195 -5.807 1.00 0.00 H new ATOM 0 HG13 VAL A 13 4.917 -7.062 -7.068 1.00 0.00 H new ATOM 0 HG21 VAL A 13 5.538 -4.086 -6.547 1.00 0.00 H new ATOM 0 HG22 VAL A 13 5.305 -4.772 -8.173 1.00 0.00 H new ATOM 0 HG23 VAL A 13 4.314 -3.394 -7.638 1.00 0.00 H new ATOM 158 N HIS A 14 1.250 -7.545 -7.913 1.00 0.00 N ATOM 159 CA HIS A 14 0.216 -8.452 -7.426 1.00 0.00 C ATOM 160 C HIS A 14 0.796 -9.451 -6.429 1.00 0.00 C ATOM 161 O HIS A 14 1.964 -9.831 -6.522 1.00 0.00 O ATOM 162 CB HIS A 14 -0.430 -9.197 -8.595 1.00 0.00 C ATOM 163 CG HIS A 14 -0.805 -8.307 -9.739 1.00 0.00 C ATOM 164 ND1 HIS A 14 0.124 -7.726 -10.577 1.00 0.00 N ATOM 165 CD2 HIS A 14 -2.017 -7.899 -10.183 1.00 0.00 C ATOM 166 CE1 HIS A 14 -0.500 -6.999 -11.486 1.00 0.00 C ATOM 167 NE2 HIS A 14 -1.800 -7.088 -11.269 1.00 0.00 N ATOM 0 H HIS A 14 1.647 -7.804 -8.816 1.00 0.00 H new ATOM 0 HA HIS A 14 -0.544 -7.858 -6.918 1.00 0.00 H new ATOM 0 HB2 HIS A 14 0.259 -9.963 -8.952 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -1.322 -9.712 -8.238 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -2.976 -8.162 -9.761 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -0.028 -6.429 -12.273 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -2.525 -6.628 -11.819 1.00 0.00 H new ATOM 175 N LEU A 15 -0.027 -9.872 -5.475 1.00 0.00 N ATOM 176 CA LEU A 15 0.404 -10.827 -4.459 1.00 0.00 C ATOM 177 C LEU A 15 -0.557 -12.008 -4.379 1.00 0.00 C ATOM 178 O LEU A 15 -1.646 -11.974 -4.952 1.00 0.00 O ATOM 179 CB LEU A 15 0.501 -10.141 -3.095 1.00 0.00 C ATOM 180 CG LEU A 15 1.110 -8.738 -3.091 1.00 0.00 C ATOM 181 CD1 LEU A 15 0.547 -7.915 -1.943 1.00 0.00 C ATOM 182 CD2 LEU A 15 2.627 -8.815 -3.001 1.00 0.00 C ATOM 0 H LEU A 15 -0.996 -9.568 -5.383 1.00 0.00 H new ATOM 0 HA LEU A 15 1.388 -11.201 -4.742 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.500 -10.082 -2.668 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.092 -10.774 -2.434 1.00 0.00 H new ATOM 0 HG LEU A 15 0.846 -8.246 -4.027 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.992 -6.920 -1.956 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.534 -7.831 -2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.779 -8.404 -0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.043 -7.808 -2.999 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.911 -9.327 -2.081 1.00 0.00 H new ATOM 0 HD23 LEU A 15 3.015 -9.366 -3.858 1.00 0.00 H new ATOM 194 N GLU A 16 -0.147 -13.051 -3.664 1.00 0.00 N ATOM 195 CA GLU A 16 -0.974 -14.242 -3.509 1.00 0.00 C ATOM 196 C GLU A 16 -1.045 -14.669 -2.045 1.00 0.00 C ATOM 197 O GLU A 16 -0.082 -15.205 -1.495 1.00 0.00 O ATOM 198 CB GLU A 16 -0.421 -15.388 -4.359 1.00 0.00 C ATOM 199 CG GLU A 16 -0.751 -15.264 -5.837 1.00 0.00 C ATOM 200 CD GLU A 16 -0.392 -16.511 -6.621 1.00 0.00 C ATOM 201 OE1 GLU A 16 0.562 -17.210 -6.220 1.00 0.00 O ATOM 202 OE2 GLU A 16 -1.066 -16.789 -7.636 1.00 0.00 O ATOM 0 H GLU A 16 0.752 -13.095 -3.184 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.981 -14.000 -3.848 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.662 -15.428 -4.239 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -0.818 -16.331 -3.985 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.816 -15.061 -5.952 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.217 -14.410 -6.254 1.00 0.00 H new ATOM 209 N LYS A 17 -2.191 -14.425 -1.419 1.00 0.00 N ATOM 210 CA LYS A 17 -2.390 -14.783 -0.020 1.00 0.00 C ATOM 211 C LYS A 17 -3.432 -15.889 0.116 1.00 0.00 C ATOM 212 O LYS A 17 -4.038 -16.308 -0.871 1.00 0.00 O ATOM 213 CB LYS A 17 -2.825 -13.556 0.785 1.00 0.00 C ATOM 214 CG LYS A 17 -4.329 -13.344 0.804 1.00 0.00 C ATOM 215 CD LYS A 17 -4.726 -12.260 1.792 1.00 0.00 C ATOM 216 CE LYS A 17 -4.596 -10.873 1.180 1.00 0.00 C ATOM 217 NZ LYS A 17 -4.772 -9.799 2.196 1.00 0.00 N ATOM 0 H LYS A 17 -2.997 -13.980 -1.859 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.442 -15.151 0.373 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.468 -13.659 1.810 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -2.347 -12.670 0.368 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.672 -13.071 -0.194 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.826 -14.278 1.068 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.754 -12.421 2.116 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -4.097 -12.327 2.680 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.617 -10.773 0.712 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.340 -10.753 0.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.035 -9.077 2.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -5.709 -9.362 2.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.696 -10.207 3.149 1.00 0.00 H new ATOM 231 N ARG A 18 -3.636 -16.356 1.343 1.00 0.00 N ATOM 232 CA ARG A 18 -4.605 -17.413 1.607 1.00 0.00 C ATOM 233 C ARG A 18 -5.811 -16.867 2.367 1.00 0.00 C ATOM 234 O ARG A 18 -5.661 -16.138 3.347 1.00 0.00 O ATOM 235 CB ARG A 18 -3.954 -18.543 2.406 1.00 0.00 C ATOM 236 CG ARG A 18 -3.105 -19.477 1.560 1.00 0.00 C ATOM 237 CD ARG A 18 -3.966 -20.386 0.698 1.00 0.00 C ATOM 238 NE ARG A 18 -4.379 -21.589 1.414 1.00 0.00 N ATOM 239 CZ ARG A 18 -5.215 -22.493 0.913 1.00 0.00 C ATOM 240 NH1 ARG A 18 -5.722 -22.330 -0.301 1.00 0.00 N ATOM 241 NH2 ARG A 18 -5.543 -23.562 1.627 1.00 0.00 N ATOM 0 H ARG A 18 -3.143 -16.019 2.170 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.948 -17.805 0.649 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.332 -18.111 3.190 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.733 -19.122 2.901 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.442 -18.891 0.923 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.471 -20.082 2.209 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.849 -19.841 0.366 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.411 -20.669 -0.197 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.006 -21.745 2.350 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -5.471 -21.510 -0.853 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.363 -23.025 -0.683 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.154 -23.691 2.561 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.185 -24.255 1.242 1.00 0.00 H new ATOM 255 N ARG A 19 -7.005 -17.226 1.907 1.00 0.00 N ATOM 256 CA ARG A 19 -8.236 -16.771 2.542 1.00 0.00 C ATOM 257 C ARG A 19 -8.055 -16.644 4.051 1.00 0.00 C ATOM 258 O ARG A 19 -7.675 -17.601 4.724 1.00 0.00 O ATOM 259 CB ARG A 19 -9.381 -17.739 2.235 1.00 0.00 C ATOM 260 CG ARG A 19 -10.756 -17.179 2.562 1.00 0.00 C ATOM 261 CD ARG A 19 -11.828 -17.777 1.665 1.00 0.00 C ATOM 262 NE ARG A 19 -11.597 -17.469 0.256 1.00 0.00 N ATOM 263 CZ ARG A 19 -12.536 -17.560 -0.680 1.00 0.00 C ATOM 264 NH1 ARG A 19 -13.762 -17.948 -0.358 1.00 0.00 N ATOM 265 NH2 ARG A 19 -12.248 -17.263 -1.941 1.00 0.00 N ATOM 0 H ARG A 19 -7.146 -17.830 1.097 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.481 -15.788 2.139 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.348 -18.004 1.178 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -9.229 -18.659 2.799 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -10.996 -17.386 3.605 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.746 -16.095 2.446 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.852 -18.858 1.800 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -12.805 -17.396 1.964 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.664 -17.168 -0.025 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -13.987 -18.178 0.610 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -14.481 -18.017 -1.078 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.305 -16.965 -2.192 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -12.969 -17.333 -2.659 1.00 0.00 H new ATOM 279 N GLY A 20 -8.329 -15.454 4.577 1.00 0.00 N ATOM 280 CA GLY A 20 -8.189 -15.223 6.003 1.00 0.00 C ATOM 281 C GLY A 20 -6.750 -14.983 6.413 1.00 0.00 C ATOM 282 O GLY A 20 -6.404 -15.108 7.588 1.00 0.00 O ATOM 0 H GLY A 20 -8.645 -14.646 4.041 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -8.793 -14.362 6.290 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.580 -16.083 6.547 1.00 0.00 H new ATOM 286 N GLU A 21 -5.909 -14.640 5.443 1.00 0.00 N ATOM 287 CA GLU A 21 -4.498 -14.386 5.710 1.00 0.00 C ATOM 288 C GLU A 21 -4.223 -12.887 5.800 1.00 0.00 C ATOM 289 O GLU A 21 -4.638 -12.116 4.936 1.00 0.00 O ATOM 290 CB GLU A 21 -3.628 -15.010 4.617 1.00 0.00 C ATOM 291 CG GLU A 21 -2.138 -14.816 4.840 1.00 0.00 C ATOM 292 CD GLU A 21 -1.625 -15.579 6.047 1.00 0.00 C ATOM 293 OE1 GLU A 21 -2.283 -16.559 6.454 1.00 0.00 O ATOM 294 OE2 GLU A 21 -0.565 -15.194 6.584 1.00 0.00 O ATOM 0 H GLU A 21 -6.180 -14.532 4.466 1.00 0.00 H new ATOM 0 HA GLU A 21 -4.248 -14.843 6.668 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -3.842 -16.077 4.559 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.902 -14.577 3.655 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.596 -15.141 3.952 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.929 -13.754 4.970 1.00 0.00 H new ATOM 301 N GLY A 22 -3.521 -12.483 6.855 1.00 0.00 N ATOM 302 CA GLY A 22 -3.203 -11.079 7.040 1.00 0.00 C ATOM 303 C GLY A 22 -2.247 -10.557 5.985 1.00 0.00 C ATOM 304 O GLY A 22 -1.096 -10.990 5.911 1.00 0.00 O ATOM 0 H GLY A 22 -3.167 -13.102 7.584 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -4.123 -10.495 7.013 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.763 -10.936 8.027 1.00 0.00 H new ATOM 308 N LEU A 23 -2.724 -9.626 5.166 1.00 0.00 N ATOM 309 CA LEU A 23 -1.904 -9.045 4.109 1.00 0.00 C ATOM 310 C LEU A 23 -0.456 -8.891 4.565 1.00 0.00 C ATOM 311 O LEU A 23 0.475 -9.064 3.779 1.00 0.00 O ATOM 312 CB LEU A 23 -2.466 -7.686 3.689 1.00 0.00 C ATOM 313 CG LEU A 23 -2.175 -7.255 2.251 1.00 0.00 C ATOM 314 CD1 LEU A 23 -2.735 -5.866 1.987 1.00 0.00 C ATOM 315 CD2 LEU A 23 -0.678 -7.290 1.976 1.00 0.00 C ATOM 0 H LEU A 23 -3.674 -9.258 5.214 1.00 0.00 H new ATOM 0 HA LEU A 23 -1.926 -9.720 3.254 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.547 -7.703 3.831 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.068 -6.927 4.362 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.665 -7.956 1.575 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.519 -5.576 0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.814 -5.873 2.143 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.275 -5.152 2.670 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.490 -6.980 0.948 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.167 -6.612 2.659 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.304 -8.303 2.124 1.00 0.00 H new ATOM 327 N GLY A 24 -0.275 -8.566 5.841 1.00 0.00 N ATOM 328 CA GLY A 24 1.062 -8.396 6.381 1.00 0.00 C ATOM 329 C GLY A 24 1.728 -7.126 5.889 1.00 0.00 C ATOM 330 O GLY A 24 2.792 -7.172 5.273 1.00 0.00 O ATOM 0 H GLY A 24 -1.030 -8.417 6.511 1.00 0.00 H new ATOM 0 HA2 GLY A 24 1.011 -8.378 7.470 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.674 -9.254 6.105 1.00 0.00 H new ATOM 334 N VAL A 25 1.099 -5.986 6.162 1.00 0.00 N ATOM 335 CA VAL A 25 1.637 -4.697 5.743 1.00 0.00 C ATOM 336 C VAL A 25 1.300 -3.607 6.753 1.00 0.00 C ATOM 337 O VAL A 25 0.132 -3.283 6.966 1.00 0.00 O ATOM 338 CB VAL A 25 1.097 -4.286 4.360 1.00 0.00 C ATOM 339 CG1 VAL A 25 1.791 -5.074 3.260 1.00 0.00 C ATOM 340 CG2 VAL A 25 -0.411 -4.482 4.298 1.00 0.00 C ATOM 0 H VAL A 25 0.217 -5.930 6.671 1.00 0.00 H new ATOM 0 HA VAL A 25 2.719 -4.810 5.683 1.00 0.00 H new ATOM 0 HB VAL A 25 1.310 -3.228 4.205 1.00 0.00 H new ATOM 0 HG11 VAL A 25 1.397 -4.770 2.290 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.863 -4.878 3.293 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.612 -6.139 3.407 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -0.776 -4.187 3.314 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.649 -5.531 4.474 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -0.889 -3.869 5.062 1.00 0.00 H new ATOM 350 N ALA A 26 2.332 -3.042 7.373 1.00 0.00 N ATOM 351 CA ALA A 26 2.145 -1.986 8.359 1.00 0.00 C ATOM 352 C ALA A 26 2.390 -0.612 7.744 1.00 0.00 C ATOM 353 O ALA A 26 3.525 -0.259 7.419 1.00 0.00 O ATOM 354 CB ALA A 26 3.068 -2.206 9.549 1.00 0.00 C ATOM 0 H ALA A 26 3.305 -3.299 7.209 1.00 0.00 H new ATOM 0 HA ALA A 26 1.111 -2.022 8.703 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.918 -1.410 10.278 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.844 -3.168 10.011 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.105 -2.198 9.212 1.00 0.00 H new ATOM 360 N LEU A 27 1.320 0.160 7.588 1.00 0.00 N ATOM 361 CA LEU A 27 1.419 1.496 7.011 1.00 0.00 C ATOM 362 C LEU A 27 1.289 2.566 8.091 1.00 0.00 C ATOM 363 O LEU A 27 0.954 2.269 9.237 1.00 0.00 O ATOM 364 CB LEU A 27 0.338 1.695 5.948 1.00 0.00 C ATOM 365 CG LEU A 27 0.102 0.517 5.002 1.00 0.00 C ATOM 366 CD1 LEU A 27 -1.321 0.542 4.464 1.00 0.00 C ATOM 367 CD2 LEU A 27 1.107 0.541 3.860 1.00 0.00 C ATOM 0 H LEU A 27 0.374 -0.116 7.853 1.00 0.00 H new ATOM 0 HA LEU A 27 2.400 1.592 6.545 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.601 1.924 6.452 1.00 0.00 H new ATOM 0 HB3 LEU A 27 0.601 2.568 5.350 1.00 0.00 H new ATOM 0 HG LEU A 27 0.241 -0.408 5.562 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.471 -0.303 3.793 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.025 0.476 5.294 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.488 1.472 3.920 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.924 -0.304 3.197 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.000 1.471 3.301 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.117 0.474 4.263 1.00 0.00 H new ATOM 379 N VAL A 28 1.555 3.814 7.716 1.00 0.00 N ATOM 380 CA VAL A 28 1.465 4.929 8.651 1.00 0.00 C ATOM 381 C VAL A 28 1.087 6.219 7.932 1.00 0.00 C ATOM 382 O VAL A 28 1.034 6.264 6.704 1.00 0.00 O ATOM 383 CB VAL A 28 2.794 5.141 9.400 1.00 0.00 C ATOM 384 CG1 VAL A 28 2.875 4.226 10.612 1.00 0.00 C ATOM 385 CG2 VAL A 28 3.973 4.912 8.468 1.00 0.00 C ATOM 0 H VAL A 28 1.835 4.078 6.771 1.00 0.00 H new ATOM 0 HA VAL A 28 0.687 4.677 9.372 1.00 0.00 H new ATOM 0 HB VAL A 28 2.833 6.172 9.750 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.821 4.390 11.129 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.049 4.445 11.289 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.814 3.187 10.288 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.904 5.066 9.014 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.941 3.892 8.085 1.00 0.00 H new ATOM 0 HG23 VAL A 28 3.920 5.614 7.636 1.00 0.00 H new ATOM 395 N GLU A 29 0.827 7.267 8.707 1.00 0.00 N ATOM 396 CA GLU A 29 0.454 8.559 8.144 1.00 0.00 C ATOM 397 C GLU A 29 1.660 9.491 8.073 1.00 0.00 C ATOM 398 O GLU A 29 2.121 10.005 9.092 1.00 0.00 O ATOM 399 CB GLU A 29 -0.655 9.204 8.979 1.00 0.00 C ATOM 400 CG GLU A 29 -0.555 8.897 10.463 1.00 0.00 C ATOM 401 CD GLU A 29 -1.621 9.603 11.278 1.00 0.00 C ATOM 402 OE1 GLU A 29 -2.050 10.702 10.867 1.00 0.00 O ATOM 403 OE2 GLU A 29 -2.026 9.058 12.326 1.00 0.00 O ATOM 0 H GLU A 29 0.868 7.247 9.726 1.00 0.00 H new ATOM 0 HA GLU A 29 0.086 8.392 7.132 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.624 10.284 8.837 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.622 8.862 8.610 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -0.641 7.821 10.614 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.429 9.192 10.826 1.00 0.00 H new ATOM 410 N SER A 30 2.166 9.704 6.863 1.00 0.00 N ATOM 411 CA SER A 30 3.322 10.570 6.659 1.00 0.00 C ATOM 412 C SER A 30 2.973 11.732 5.734 1.00 0.00 C ATOM 413 O SER A 30 1.824 11.889 5.322 1.00 0.00 O ATOM 414 CB SER A 30 4.488 9.770 6.075 1.00 0.00 C ATOM 415 OG SER A 30 4.633 8.524 6.734 1.00 0.00 O ATOM 0 H SER A 30 1.794 9.289 6.009 1.00 0.00 H new ATOM 0 HA SER A 30 3.618 10.975 7.627 1.00 0.00 H new ATOM 0 HB2 SER A 30 4.322 9.605 5.010 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.410 10.344 6.169 1.00 0.00 H new ATOM 0 HG SER A 30 5.384 8.032 6.341 1.00 0.00 H new ATOM 421 N GLY A 31 3.975 12.544 5.410 1.00 0.00 N ATOM 422 CA GLY A 31 3.755 13.681 4.537 1.00 0.00 C ATOM 423 C GLY A 31 3.316 14.918 5.294 1.00 0.00 C ATOM 424 O GLY A 31 2.440 14.848 6.156 1.00 0.00 O ATOM 0 H GLY A 31 4.935 12.434 5.737 1.00 0.00 H new ATOM 0 HA2 GLY A 31 4.673 13.899 3.992 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.998 13.425 3.796 1.00 0.00 H new ATOM 428 N TRP A 32 3.926 16.054 4.975 1.00 0.00 N ATOM 429 CA TRP A 32 3.593 17.312 5.633 1.00 0.00 C ATOM 430 C TRP A 32 2.118 17.650 5.448 1.00 0.00 C ATOM 431 O TRP A 32 1.368 16.885 4.844 1.00 0.00 O ATOM 432 CB TRP A 32 4.462 18.444 5.083 1.00 0.00 C ATOM 433 CG TRP A 32 4.828 18.265 3.641 1.00 0.00 C ATOM 434 CD1 TRP A 32 3.970 18.083 2.594 1.00 0.00 C ATOM 435 CD2 TRP A 32 6.148 18.250 3.087 1.00 0.00 C ATOM 436 NE1 TRP A 32 4.677 17.955 1.423 1.00 0.00 N ATOM 437 CE2 TRP A 32 6.015 18.055 1.699 1.00 0.00 C ATOM 438 CE3 TRP A 32 7.429 18.384 3.629 1.00 0.00 C ATOM 439 CZ2 TRP A 32 7.115 17.990 0.848 1.00 0.00 C ATOM 440 CZ3 TRP A 32 8.520 18.319 2.783 1.00 0.00 C ATOM 441 CH2 TRP A 32 8.358 18.124 1.405 1.00 0.00 C ATOM 0 H TRP A 32 4.654 16.130 4.265 1.00 0.00 H new ATOM 0 HA TRP A 32 3.789 17.199 6.699 1.00 0.00 H new ATOM 0 HB2 TRP A 32 3.932 19.389 5.201 1.00 0.00 H new ATOM 0 HB3 TRP A 32 5.374 18.513 5.676 1.00 0.00 H new ATOM 0 HD1 TRP A 32 2.894 18.045 2.675 1.00 0.00 H new ATOM 0 HE1 TRP A 32 4.272 17.809 0.498 1.00 0.00 H new ATOM 0 HE3 TRP A 32 7.564 18.536 4.690 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 6.992 17.839 -0.214 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 9.515 18.420 3.191 1.00 0.00 H new ATOM 0 HH2 TRP A 32 9.231 18.079 0.770 1.00 0.00 H new ATOM 452 N GLY A 33 1.709 18.801 5.973 1.00 0.00 N ATOM 453 CA GLY A 33 0.324 19.219 5.854 1.00 0.00 C ATOM 454 C GLY A 33 0.150 20.383 4.898 1.00 0.00 C ATOM 455 O GLY A 33 0.185 21.543 5.308 1.00 0.00 O ATOM 0 H GLY A 33 2.311 19.451 6.478 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.278 18.378 5.511 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.053 19.501 6.837 1.00 0.00 H new ATOM 459 N SER A 34 -0.037 20.073 3.619 1.00 0.00 N ATOM 460 CA SER A 34 -0.211 21.101 2.600 1.00 0.00 C ATOM 461 C SER A 34 -1.511 20.889 1.831 1.00 0.00 C ATOM 462 O SER A 34 -2.468 21.650 1.982 1.00 0.00 O ATOM 463 CB SER A 34 0.974 21.098 1.633 1.00 0.00 C ATOM 464 OG SER A 34 1.372 19.774 1.319 1.00 0.00 O ATOM 0 H SER A 34 -0.072 19.117 3.264 1.00 0.00 H new ATOM 0 HA SER A 34 -0.259 22.068 3.100 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.703 21.626 0.719 1.00 0.00 H new ATOM 0 HB3 SER A 34 1.811 21.637 2.077 1.00 0.00 H new ATOM 0 HG SER A 34 2.194 19.555 1.806 1.00 0.00 H new ATOM 470 N LEU A 35 -1.539 19.849 1.004 1.00 0.00 N ATOM 471 CA LEU A 35 -2.721 19.535 0.210 1.00 0.00 C ATOM 472 C LEU A 35 -3.350 18.222 0.665 1.00 0.00 C ATOM 473 O LEU A 35 -4.473 18.201 1.172 1.00 0.00 O ATOM 474 CB LEU A 35 -2.356 19.450 -1.273 1.00 0.00 C ATOM 475 CG LEU A 35 -2.301 20.779 -2.027 1.00 0.00 C ATOM 476 CD1 LEU A 35 -3.691 21.186 -2.493 1.00 0.00 C ATOM 477 CD2 LEU A 35 -1.690 21.865 -1.153 1.00 0.00 C ATOM 0 H LEU A 35 -0.756 19.209 0.866 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.447 20.335 0.355 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.384 18.965 -1.360 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.080 18.804 -1.769 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.668 20.650 -2.905 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -3.632 22.134 -3.028 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.091 20.419 -3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.347 21.297 -1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.659 22.803 -1.707 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.295 21.993 -0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.677 21.577 -0.870 1.00 0.00 H new ATOM 489 N LEU A 36 -2.619 17.128 0.485 1.00 0.00 N ATOM 490 CA LEU A 36 -3.104 15.810 0.879 1.00 0.00 C ATOM 491 C LEU A 36 -1.958 14.935 1.379 1.00 0.00 C ATOM 492 O LEU A 36 -0.840 14.982 0.866 1.00 0.00 O ATOM 493 CB LEU A 36 -3.805 15.129 -0.297 1.00 0.00 C ATOM 494 CG LEU A 36 -5.280 15.482 -0.495 1.00 0.00 C ATOM 495 CD1 LEU A 36 -5.421 16.696 -1.399 1.00 0.00 C ATOM 496 CD2 LEU A 36 -6.039 14.295 -1.070 1.00 0.00 C ATOM 0 H LEU A 36 -1.688 17.127 0.069 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.818 15.942 1.692 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -3.266 15.381 -1.210 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -3.725 14.050 -0.166 1.00 0.00 H new ATOM 0 HG LEU A 36 -5.710 15.727 0.476 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -6.477 16.932 -1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -4.911 17.547 -0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.976 16.480 -2.370 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -7.087 14.564 -1.204 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -5.609 14.020 -2.033 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -5.966 13.450 -0.385 1.00 0.00 H new ATOM 508 N PRO A 37 -2.242 14.115 2.401 1.00 0.00 N ATOM 509 CA PRO A 37 -1.249 13.211 2.990 1.00 0.00 C ATOM 510 C PRO A 37 -0.874 12.070 2.051 1.00 0.00 C ATOM 511 O PRO A 37 -1.425 11.946 0.956 1.00 0.00 O ATOM 512 CB PRO A 37 -1.956 12.669 4.235 1.00 0.00 C ATOM 513 CG PRO A 37 -3.409 12.783 3.924 1.00 0.00 C ATOM 514 CD PRO A 37 -3.554 14.006 3.061 1.00 0.00 C ATOM 0 HA PRO A 37 -0.310 13.722 3.205 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.673 11.635 4.433 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.694 13.246 5.122 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.768 11.894 3.405 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.997 12.878 4.837 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.360 13.893 2.336 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.780 14.892 3.654 1.00 0.00 H new ATOM 522 N THR A 38 0.066 11.236 2.485 1.00 0.00 N ATOM 523 CA THR A 38 0.514 10.105 1.683 1.00 0.00 C ATOM 524 C THR A 38 0.658 8.849 2.535 1.00 0.00 C ATOM 525 O THR A 38 0.867 8.929 3.745 1.00 0.00 O ATOM 526 CB THR A 38 1.861 10.403 0.996 1.00 0.00 C ATOM 527 OG1 THR A 38 2.755 11.031 1.922 1.00 0.00 O ATOM 528 CG2 THR A 38 1.663 11.301 -0.216 1.00 0.00 C ATOM 0 H THR A 38 0.532 11.323 3.388 1.00 0.00 H new ATOM 0 HA THR A 38 -0.246 9.937 0.920 1.00 0.00 H new ATOM 0 HB THR A 38 2.291 9.459 0.662 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.609 11.215 1.478 1.00 0.00 H new ATOM 0 HG21 THR A 38 2.627 11.498 -0.685 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.006 10.807 -0.932 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.214 12.243 0.099 1.00 0.00 H new ATOM 536 N ALA A 39 0.545 7.690 1.895 1.00 0.00 N ATOM 537 CA ALA A 39 0.665 6.417 2.595 1.00 0.00 C ATOM 538 C ALA A 39 2.080 5.861 2.484 1.00 0.00 C ATOM 539 O ALA A 39 2.685 5.884 1.412 1.00 0.00 O ATOM 540 CB ALA A 39 -0.341 5.416 2.046 1.00 0.00 C ATOM 0 H ALA A 39 0.371 7.606 0.894 1.00 0.00 H new ATOM 0 HA ALA A 39 0.452 6.589 3.650 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.240 4.470 2.578 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.351 5.803 2.182 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.154 5.257 0.984 1.00 0.00 H new ATOM 546 N VAL A 40 2.604 5.363 3.600 1.00 0.00 N ATOM 547 CA VAL A 40 3.950 4.801 3.628 1.00 0.00 C ATOM 548 C VAL A 40 3.998 3.534 4.474 1.00 0.00 C ATOM 549 O VAL A 40 3.319 3.431 5.496 1.00 0.00 O ATOM 550 CB VAL A 40 4.969 5.814 4.182 1.00 0.00 C ATOM 551 CG1 VAL A 40 6.388 5.382 3.844 1.00 0.00 C ATOM 552 CG2 VAL A 40 4.684 7.207 3.642 1.00 0.00 C ATOM 0 H VAL A 40 2.117 5.337 4.496 1.00 0.00 H new ATOM 0 HA VAL A 40 4.214 4.558 2.599 1.00 0.00 H new ATOM 0 HB VAL A 40 4.872 5.844 5.267 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.095 6.110 4.243 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.586 4.405 4.285 1.00 0.00 H new ATOM 0 HG13 VAL A 40 6.502 5.322 2.762 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.414 7.910 4.044 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.752 7.196 2.554 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.682 7.515 3.940 1.00 0.00 H new ATOM 562 N ILE A 41 4.805 2.571 4.041 1.00 0.00 N ATOM 563 CA ILE A 41 4.943 1.310 4.759 1.00 0.00 C ATOM 564 C ILE A 41 5.812 1.477 6.001 1.00 0.00 C ATOM 565 O ILE A 41 7.037 1.548 5.909 1.00 0.00 O ATOM 566 CB ILE A 41 5.552 0.215 3.863 1.00 0.00 C ATOM 567 CG1 ILE A 41 4.680 -0.006 2.626 1.00 0.00 C ATOM 568 CG2 ILE A 41 5.711 -1.080 4.645 1.00 0.00 C ATOM 569 CD1 ILE A 41 5.369 -0.792 1.533 1.00 0.00 C ATOM 0 H ILE A 41 5.373 2.640 3.197 1.00 0.00 H new ATOM 0 HA ILE A 41 3.940 1.006 5.058 1.00 0.00 H new ATOM 0 HB ILE A 41 6.539 0.542 3.534 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.771 -0.530 2.921 1.00 0.00 H new ATOM 0 HG13 ILE A 41 4.375 0.962 2.229 1.00 0.00 H new ATOM 0 HG21 ILE A 41 6.142 -1.845 3.999 1.00 0.00 H new ATOM 0 HG22 ILE A 41 6.369 -0.912 5.498 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.736 -1.413 5.000 1.00 0.00 H new ATOM 0 HD11 ILE A 41 4.691 -0.910 0.687 1.00 0.00 H new ATOM 0 HD12 ILE A 41 6.263 -0.259 1.210 1.00 0.00 H new ATOM 0 HD13 ILE A 41 5.650 -1.774 1.913 1.00 0.00 H new ATOM 581 N ALA A 42 5.169 1.538 7.163 1.00 0.00 N ATOM 582 CA ALA A 42 5.883 1.693 8.424 1.00 0.00 C ATOM 583 C ALA A 42 6.778 0.489 8.699 1.00 0.00 C ATOM 584 O ALA A 42 7.900 0.636 9.183 1.00 0.00 O ATOM 585 CB ALA A 42 4.899 1.893 9.567 1.00 0.00 C ATOM 0 H ALA A 42 4.155 1.482 7.257 1.00 0.00 H new ATOM 0 HA ALA A 42 6.518 2.576 8.347 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.446 2.007 10.503 1.00 0.00 H new ATOM 0 HB2 ALA A 42 4.304 2.788 9.383 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.240 1.027 9.636 1.00 0.00 H new ATOM 591 N ASN A 43 6.274 -0.701 8.388 1.00 0.00 N ATOM 592 CA ASN A 43 7.029 -1.930 8.604 1.00 0.00 C ATOM 593 C ASN A 43 6.323 -3.121 7.962 1.00 0.00 C ATOM 594 O ASN A 43 5.109 -3.100 7.756 1.00 0.00 O ATOM 595 CB ASN A 43 7.217 -2.182 10.101 1.00 0.00 C ATOM 596 CG ASN A 43 8.484 -1.545 10.639 1.00 0.00 C ATOM 597 OD1 ASN A 43 8.431 -0.636 11.468 1.00 0.00 O ATOM 598 ND2 ASN A 43 9.631 -2.020 10.168 1.00 0.00 N ATOM 0 H ASN A 43 5.347 -0.840 7.986 1.00 0.00 H new ATOM 0 HA ASN A 43 8.007 -1.813 8.137 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.357 -1.789 10.644 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.247 -3.256 10.285 1.00 0.00 H new ATOM 0 HD21 ASN A 43 10.516 -1.630 10.493 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.627 -2.774 9.482 1.00 0.00 H new ATOM 605 N LEU A 44 7.091 -4.158 7.648 1.00 0.00 N ATOM 606 CA LEU A 44 6.541 -5.359 7.030 1.00 0.00 C ATOM 607 C LEU A 44 6.952 -6.607 7.803 1.00 0.00 C ATOM 608 O LEU A 44 7.977 -6.617 8.487 1.00 0.00 O ATOM 609 CB LEU A 44 7.007 -5.468 5.577 1.00 0.00 C ATOM 610 CG LEU A 44 6.476 -4.401 4.619 1.00 0.00 C ATOM 611 CD1 LEU A 44 6.910 -4.700 3.193 1.00 0.00 C ATOM 612 CD2 LEU A 44 4.959 -4.310 4.710 1.00 0.00 C ATOM 0 H LEU A 44 8.097 -4.191 7.811 1.00 0.00 H new ATOM 0 HA LEU A 44 5.454 -5.283 7.052 1.00 0.00 H new ATOM 0 HB2 LEU A 44 8.096 -5.431 5.562 1.00 0.00 H new ATOM 0 HB3 LEU A 44 6.716 -6.447 5.196 1.00 0.00 H new ATOM 0 HG LEU A 44 6.896 -3.438 4.909 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.523 -3.930 2.526 1.00 0.00 H new ATOM 0 HD12 LEU A 44 7.999 -4.713 3.139 1.00 0.00 H new ATOM 0 HD13 LEU A 44 6.520 -5.672 2.890 1.00 0.00 H new ATOM 0 HD21 LEU A 44 4.598 -3.546 4.022 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.520 -5.272 4.446 1.00 0.00 H new ATOM 0 HD23 LEU A 44 4.671 -4.047 5.728 1.00 0.00 H new ATOM 624 N LEU A 45 6.150 -7.660 7.689 1.00 0.00 N ATOM 625 CA LEU A 45 6.431 -8.915 8.376 1.00 0.00 C ATOM 626 C LEU A 45 7.167 -9.885 7.456 1.00 0.00 C ATOM 627 O LEU A 45 6.572 -10.471 6.551 1.00 0.00 O ATOM 628 CB LEU A 45 5.132 -9.551 8.872 1.00 0.00 C ATOM 629 CG LEU A 45 5.285 -10.761 9.794 1.00 0.00 C ATOM 630 CD1 LEU A 45 3.999 -11.011 10.565 1.00 0.00 C ATOM 631 CD2 LEU A 45 5.679 -11.994 8.994 1.00 0.00 C ATOM 0 H LEU A 45 5.299 -7.669 7.127 1.00 0.00 H new ATOM 0 HA LEU A 45 7.070 -8.697 9.232 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.556 -8.790 9.398 1.00 0.00 H new ATOM 0 HB3 LEU A 45 4.545 -9.853 8.005 1.00 0.00 H new ATOM 0 HG LEU A 45 6.078 -10.549 10.511 1.00 0.00 H new ATOM 0 HD11 LEU A 45 4.127 -11.876 11.216 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.760 -10.135 11.168 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.186 -11.201 9.864 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.784 -12.846 9.666 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.909 -12.209 8.253 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.627 -11.812 8.489 1.00 0.00 H new ATOM 643 N HIS A 46 8.463 -10.053 7.697 1.00 0.00 N ATOM 644 CA HIS A 46 9.280 -10.955 6.892 1.00 0.00 C ATOM 645 C HIS A 46 8.633 -12.333 6.796 1.00 0.00 C ATOM 646 O HIS A 46 8.903 -13.215 7.611 1.00 0.00 O ATOM 647 CB HIS A 46 10.682 -11.077 7.489 1.00 0.00 C ATOM 648 CG HIS A 46 11.585 -9.935 7.136 1.00 0.00 C ATOM 649 ND1 HIS A 46 11.298 -9.031 6.136 1.00 0.00 N ATOM 650 CD2 HIS A 46 12.773 -9.553 7.659 1.00 0.00 C ATOM 651 CE1 HIS A 46 12.273 -8.142 6.056 1.00 0.00 C ATOM 652 NE2 HIS A 46 13.180 -8.436 6.970 1.00 0.00 N ATOM 0 H HIS A 46 8.970 -9.577 8.443 1.00 0.00 H new ATOM 0 HA HIS A 46 9.356 -10.538 5.888 1.00 0.00 H new ATOM 0 HB2 HIS A 46 10.601 -11.144 8.574 1.00 0.00 H new ATOM 0 HB3 HIS A 46 11.135 -12.007 7.145 1.00 0.00 H new ATOM 0 HD2 HIS A 46 13.302 -10.036 8.467 1.00 0.00 H new ATOM 0 HE1 HIS A 46 12.320 -7.316 5.362 1.00 0.00 H new ATOM 0 HE2 HIS A 46 14.043 -7.918 7.137 1.00 0.00 H new ATOM 660 N GLY A 47 7.776 -12.512 5.795 1.00 0.00 N ATOM 661 CA GLY A 47 7.103 -13.785 5.613 1.00 0.00 C ATOM 662 C GLY A 47 5.674 -13.622 5.133 1.00 0.00 C ATOM 663 O GLY A 47 5.005 -14.602 4.809 1.00 0.00 O ATOM 0 H GLY A 47 7.536 -11.798 5.107 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.658 -14.386 4.893 1.00 0.00 H new ATOM 0 HA3 GLY A 47 7.106 -14.332 6.556 1.00 0.00 H new ATOM 667 N GLY A 48 5.204 -12.379 5.089 1.00 0.00 N ATOM 668 CA GLY A 48 3.848 -12.114 4.646 1.00 0.00 C ATOM 669 C GLY A 48 3.698 -12.219 3.141 1.00 0.00 C ATOM 670 O GLY A 48 4.677 -12.350 2.406 1.00 0.00 O ATOM 0 H GLY A 48 5.738 -11.551 5.352 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.168 -12.818 5.126 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.552 -11.116 4.969 1.00 0.00 H new ATOM 674 N PRO A 49 2.447 -12.164 2.662 1.00 0.00 N ATOM 675 CA PRO A 49 2.143 -12.253 1.230 1.00 0.00 C ATOM 676 C PRO A 49 2.596 -11.016 0.463 1.00 0.00 C ATOM 677 O PRO A 49 2.798 -11.066 -0.750 1.00 0.00 O ATOM 678 CB PRO A 49 0.617 -12.373 1.199 1.00 0.00 C ATOM 679 CG PRO A 49 0.161 -11.731 2.463 1.00 0.00 C ATOM 680 CD PRO A 49 1.232 -12.009 3.480 1.00 0.00 C ATOM 0 HA PRO A 49 2.660 -13.086 0.754 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.198 -11.871 0.327 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.303 -13.416 1.149 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.021 -10.659 2.327 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -0.797 -12.139 2.784 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.330 -11.191 4.194 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.017 -12.910 4.054 1.00 0.00 H new ATOM 688 N ALA A 50 2.755 -9.907 1.178 1.00 0.00 N ATOM 689 CA ALA A 50 3.187 -8.658 0.564 1.00 0.00 C ATOM 690 C ALA A 50 4.702 -8.501 0.645 1.00 0.00 C ATOM 691 O ALA A 50 5.344 -8.087 -0.319 1.00 0.00 O ATOM 692 CB ALA A 50 2.496 -7.476 1.229 1.00 0.00 C ATOM 0 H ALA A 50 2.591 -9.848 2.183 1.00 0.00 H new ATOM 0 HA ALA A 50 2.906 -8.684 -0.489 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.828 -6.550 0.760 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.416 -7.574 1.114 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.748 -7.457 2.289 1.00 0.00 H new ATOM 698 N GLU A 51 5.265 -8.834 1.803 1.00 0.00 N ATOM 699 CA GLU A 51 6.705 -8.728 2.009 1.00 0.00 C ATOM 700 C GLU A 51 7.450 -9.776 1.188 1.00 0.00 C ATOM 701 O GLU A 51 8.495 -9.493 0.602 1.00 0.00 O ATOM 702 CB GLU A 51 7.043 -8.890 3.492 1.00 0.00 C ATOM 703 CG GLU A 51 8.536 -8.923 3.776 1.00 0.00 C ATOM 704 CD GLU A 51 9.259 -7.703 3.240 1.00 0.00 C ATOM 705 OE1 GLU A 51 9.187 -6.638 3.887 1.00 0.00 O ATOM 706 OE2 GLU A 51 9.897 -7.814 2.172 1.00 0.00 O ATOM 0 H GLU A 51 4.747 -9.179 2.611 1.00 0.00 H new ATOM 0 HA GLU A 51 7.023 -7.739 1.678 1.00 0.00 H new ATOM 0 HB2 GLU A 51 6.594 -8.069 4.050 1.00 0.00 H new ATOM 0 HB3 GLU A 51 6.591 -9.811 3.861 1.00 0.00 H new ATOM 0 HG2 GLU A 51 8.696 -8.992 4.852 1.00 0.00 H new ATOM 0 HG3 GLU A 51 8.967 -9.820 3.332 1.00 0.00 H new ATOM 713 N ARG A 52 6.906 -10.988 1.153 1.00 0.00 N ATOM 714 CA ARG A 52 7.520 -12.080 0.406 1.00 0.00 C ATOM 715 C ARG A 52 7.980 -11.607 -0.969 1.00 0.00 C ATOM 716 O ARG A 52 9.003 -12.061 -1.483 1.00 0.00 O ATOM 717 CB ARG A 52 6.534 -13.240 0.255 1.00 0.00 C ATOM 718 CG ARG A 52 5.296 -12.886 -0.553 1.00 0.00 C ATOM 719 CD ARG A 52 4.611 -14.130 -1.096 1.00 0.00 C ATOM 720 NE ARG A 52 3.885 -13.859 -2.334 1.00 0.00 N ATOM 721 CZ ARG A 52 4.465 -13.802 -3.528 1.00 0.00 C ATOM 722 NH1 ARG A 52 5.771 -13.996 -3.644 1.00 0.00 N ATOM 723 NH2 ARG A 52 3.737 -13.550 -4.608 1.00 0.00 N ATOM 0 H ARG A 52 6.042 -11.239 1.633 1.00 0.00 H new ATOM 0 HA ARG A 52 8.392 -12.423 0.963 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.042 -14.078 -0.223 1.00 0.00 H new ATOM 0 HB3 ARG A 52 6.227 -13.576 1.245 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.599 -12.329 0.073 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.574 -12.232 -1.380 1.00 0.00 H new ATOM 0 HD2 ARG A 52 5.356 -14.905 -1.275 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.920 -14.519 -0.348 1.00 0.00 H new ATOM 0 HE ARG A 52 2.878 -13.705 -2.279 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.333 -14.190 -2.815 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.214 -13.952 -4.562 1.00 0.00 H new ATOM 0 HH21 ARG A 52 2.732 -13.400 -4.522 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.182 -13.506 -5.525 1.00 0.00 H new ATOM 737 N SER A 53 7.218 -10.692 -1.561 1.00 0.00 N ATOM 738 CA SER A 53 7.545 -10.161 -2.879 1.00 0.00 C ATOM 739 C SER A 53 9.017 -9.768 -2.956 1.00 0.00 C ATOM 740 O SER A 53 9.705 -10.082 -3.927 1.00 0.00 O ATOM 741 CB SER A 53 6.665 -8.950 -3.196 1.00 0.00 C ATOM 742 OG SER A 53 7.010 -7.842 -2.383 1.00 0.00 O ATOM 0 H SER A 53 6.370 -10.303 -1.148 1.00 0.00 H new ATOM 0 HA SER A 53 7.356 -10.942 -3.616 1.00 0.00 H new ATOM 0 HB2 SER A 53 6.775 -8.682 -4.247 1.00 0.00 H new ATOM 0 HB3 SER A 53 5.617 -9.207 -3.040 1.00 0.00 H new ATOM 0 HG SER A 53 6.712 -8.005 -1.464 1.00 0.00 H new ATOM 748 N GLY A 54 9.495 -9.080 -1.924 1.00 0.00 N ATOM 749 CA GLY A 54 10.882 -8.655 -1.893 1.00 0.00 C ATOM 750 C GLY A 54 11.068 -7.244 -2.415 1.00 0.00 C ATOM 751 O GLY A 54 11.993 -6.542 -2.008 1.00 0.00 O ATOM 0 H GLY A 54 8.946 -8.809 -1.108 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.254 -8.712 -0.870 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.483 -9.342 -2.489 1.00 0.00 H new ATOM 755 N ALA A 55 10.187 -6.828 -3.319 1.00 0.00 N ATOM 756 CA ALA A 55 10.258 -5.491 -3.896 1.00 0.00 C ATOM 757 C ALA A 55 9.544 -4.473 -3.013 1.00 0.00 C ATOM 758 O ALA A 55 9.698 -3.264 -3.193 1.00 0.00 O ATOM 759 CB ALA A 55 9.662 -5.488 -5.296 1.00 0.00 C ATOM 0 H ALA A 55 9.416 -7.397 -3.668 1.00 0.00 H new ATOM 0 HA ALA A 55 11.308 -5.205 -3.959 1.00 0.00 H new ATOM 0 HB1 ALA A 55 9.722 -4.483 -5.715 1.00 0.00 H new ATOM 0 HB2 ALA A 55 10.218 -6.179 -5.930 1.00 0.00 H new ATOM 0 HB3 ALA A 55 8.619 -5.800 -5.248 1.00 0.00 H new ATOM 765 N LEU A 56 8.764 -4.969 -2.059 1.00 0.00 N ATOM 766 CA LEU A 56 8.025 -4.102 -1.148 1.00 0.00 C ATOM 767 C LEU A 56 8.688 -4.064 0.226 1.00 0.00 C ATOM 768 O LEU A 56 8.710 -5.065 0.942 1.00 0.00 O ATOM 769 CB LEU A 56 6.579 -4.582 -1.016 1.00 0.00 C ATOM 770 CG LEU A 56 5.866 -4.932 -2.322 1.00 0.00 C ATOM 771 CD1 LEU A 56 4.602 -5.731 -2.043 1.00 0.00 C ATOM 772 CD2 LEU A 56 5.539 -3.670 -3.107 1.00 0.00 C ATOM 0 H LEU A 56 8.627 -5.967 -1.896 1.00 0.00 H new ATOM 0 HA LEU A 56 8.030 -3.093 -1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 56 6.567 -5.461 -0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.005 -3.807 -0.508 1.00 0.00 H new ATOM 0 HG LEU A 56 6.535 -5.547 -2.924 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.108 -5.971 -2.985 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.862 -6.654 -1.524 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.929 -5.142 -1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.032 -3.939 -4.034 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.890 -3.029 -2.511 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.461 -3.137 -3.340 1.00 0.00 H new ATOM 784 N SER A 57 9.225 -2.903 0.587 1.00 0.00 N ATOM 785 CA SER A 57 9.889 -2.736 1.874 1.00 0.00 C ATOM 786 C SER A 57 9.444 -1.443 2.551 1.00 0.00 C ATOM 787 O SER A 57 8.588 -0.723 2.036 1.00 0.00 O ATOM 788 CB SER A 57 11.408 -2.732 1.690 1.00 0.00 C ATOM 789 OG SER A 57 11.813 -1.696 0.812 1.00 0.00 O ATOM 0 H SER A 57 9.213 -2.064 0.006 1.00 0.00 H new ATOM 0 HA SER A 57 9.609 -3.574 2.512 1.00 0.00 H new ATOM 0 HB2 SER A 57 11.894 -2.604 2.657 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.732 -3.695 1.295 1.00 0.00 H new ATOM 0 HG SER A 57 12.788 -1.714 0.713 1.00 0.00 H new ATOM 795 N ILE A 58 10.032 -1.156 3.708 1.00 0.00 N ATOM 796 CA ILE A 58 9.697 0.050 4.455 1.00 0.00 C ATOM 797 C ILE A 58 10.151 1.301 3.711 1.00 0.00 C ATOM 798 O ILE A 58 11.339 1.482 3.446 1.00 0.00 O ATOM 799 CB ILE A 58 10.336 0.039 5.856 1.00 0.00 C ATOM 800 CG1 ILE A 58 9.805 -1.141 6.674 1.00 0.00 C ATOM 801 CG2 ILE A 58 10.063 1.353 6.573 1.00 0.00 C ATOM 802 CD1 ILE A 58 10.627 -2.401 6.520 1.00 0.00 C ATOM 0 H ILE A 58 10.742 -1.742 4.148 1.00 0.00 H new ATOM 0 HA ILE A 58 8.612 0.066 4.559 1.00 0.00 H new ATOM 0 HB ILE A 58 11.414 -0.075 5.746 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.779 -0.860 7.727 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.778 -1.348 6.374 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.521 1.330 7.562 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.485 2.176 5.997 1.00 0.00 H new ATOM 0 HG23 ILE A 58 8.987 1.495 6.675 1.00 0.00 H new ATOM 0 HD11 ILE A 58 10.193 -3.195 7.127 1.00 0.00 H new ATOM 0 HD12 ILE A 58 10.633 -2.706 5.474 1.00 0.00 H new ATOM 0 HD13 ILE A 58 11.649 -2.211 6.848 1.00 0.00 H new ATOM 814 N GLY A 59 9.196 2.165 3.379 1.00 0.00 N ATOM 815 CA GLY A 59 9.518 3.390 2.671 1.00 0.00 C ATOM 816 C GLY A 59 8.635 3.608 1.459 1.00 0.00 C ATOM 817 O GLY A 59 8.099 4.699 1.260 1.00 0.00 O ATOM 0 H GLY A 59 8.206 2.038 3.588 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.414 4.236 3.350 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.561 3.361 2.356 1.00 0.00 H new ATOM 821 N ASP A 60 8.483 2.569 0.645 1.00 0.00 N ATOM 822 CA ASP A 60 7.658 2.651 -0.555 1.00 0.00 C ATOM 823 C ASP A 60 6.287 3.237 -0.233 1.00 0.00 C ATOM 824 O ASP A 60 5.612 2.790 0.694 1.00 0.00 O ATOM 825 CB ASP A 60 7.500 1.268 -1.187 1.00 0.00 C ATOM 826 CG ASP A 60 8.831 0.651 -1.572 1.00 0.00 C ATOM 827 OD1 ASP A 60 9.813 1.407 -1.721 1.00 0.00 O ATOM 828 OD2 ASP A 60 8.889 -0.587 -1.724 1.00 0.00 O ATOM 0 H ASP A 60 8.920 1.660 0.794 1.00 0.00 H new ATOM 0 HA ASP A 60 8.157 3.311 -1.265 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.986 0.609 -0.487 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.870 1.346 -2.073 1.00 0.00 H new ATOM 833 N ARG A 61 5.883 4.241 -1.005 1.00 0.00 N ATOM 834 CA ARG A 61 4.593 4.890 -0.800 1.00 0.00 C ATOM 835 C ARG A 61 3.481 4.124 -1.511 1.00 0.00 C ATOM 836 O ARG A 61 3.675 3.604 -2.610 1.00 0.00 O ATOM 837 CB ARG A 61 4.638 6.333 -1.307 1.00 0.00 C ATOM 838 CG ARG A 61 4.237 6.479 -2.766 1.00 0.00 C ATOM 839 CD ARG A 61 2.735 6.665 -2.915 1.00 0.00 C ATOM 840 NE ARG A 61 2.353 8.074 -2.879 1.00 0.00 N ATOM 841 CZ ARG A 61 2.370 8.868 -3.944 1.00 0.00 C ATOM 842 NH1 ARG A 61 2.749 8.393 -5.123 1.00 0.00 N ATOM 843 NH2 ARG A 61 2.008 10.139 -3.832 1.00 0.00 N ATOM 0 H ARG A 61 6.430 4.622 -1.777 1.00 0.00 H new ATOM 0 HA ARG A 61 4.382 4.894 0.269 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.976 6.945 -0.694 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.647 6.724 -1.175 1.00 0.00 H new ATOM 0 HG2 ARG A 61 4.756 7.332 -3.203 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.552 5.596 -3.321 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.407 6.224 -3.856 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.222 6.130 -2.116 1.00 0.00 H new ATOM 0 HE ARG A 61 2.057 8.470 -1.987 1.00 0.00 H new ATOM 0 HH11 ARG A 61 3.028 7.416 -5.213 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.761 9.005 -5.939 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.716 10.508 -2.927 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.022 10.747 -4.651 1.00 0.00 H new ATOM 857 N LEU A 62 2.315 4.060 -0.876 1.00 0.00 N ATOM 858 CA LEU A 62 1.171 3.357 -1.447 1.00 0.00 C ATOM 859 C LEU A 62 0.173 4.341 -2.047 1.00 0.00 C ATOM 860 O LEU A 62 -0.176 5.347 -1.427 1.00 0.00 O ATOM 861 CB LEU A 62 0.485 2.506 -0.377 1.00 0.00 C ATOM 862 CG LEU A 62 -0.682 1.641 -0.854 1.00 0.00 C ATOM 863 CD1 LEU A 62 -0.794 0.382 -0.009 1.00 0.00 C ATOM 864 CD2 LEU A 62 -1.982 2.431 -0.813 1.00 0.00 C ATOM 0 H LEU A 62 2.137 4.486 0.034 1.00 0.00 H new ATOM 0 HA LEU A 62 1.535 2.706 -2.242 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.233 1.855 0.075 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.122 3.169 0.409 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.492 1.345 -1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.630 -0.221 -0.363 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.128 -0.193 -0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.961 0.657 1.033 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.802 1.800 -1.156 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.178 2.757 0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.899 3.302 -1.462 1.00 0.00 H new ATOM 876 N THR A 63 -0.287 4.045 -3.259 1.00 0.00 N ATOM 877 CA THR A 63 -1.247 4.902 -3.943 1.00 0.00 C ATOM 878 C THR A 63 -2.650 4.309 -3.890 1.00 0.00 C ATOM 879 O THR A 63 -3.636 5.033 -3.755 1.00 0.00 O ATOM 880 CB THR A 63 -0.852 5.125 -5.415 1.00 0.00 C ATOM 881 OG1 THR A 63 -1.048 3.919 -6.163 1.00 0.00 O ATOM 882 CG2 THR A 63 0.600 5.565 -5.525 1.00 0.00 C ATOM 0 H THR A 63 -0.010 3.218 -3.787 1.00 0.00 H new ATOM 0 HA THR A 63 -1.241 5.860 -3.423 1.00 0.00 H new ATOM 0 HB THR A 63 -1.486 5.912 -5.823 1.00 0.00 H new ATOM 0 HG1 THR A 63 -0.445 3.224 -5.827 1.00 0.00 H new ATOM 0 HG21 THR A 63 0.856 5.716 -6.574 1.00 0.00 H new ATOM 0 HG22 THR A 63 0.740 6.498 -4.979 1.00 0.00 H new ATOM 0 HG23 THR A 63 1.246 4.796 -5.101 1.00 0.00 H new ATOM 890 N ALA A 64 -2.733 2.987 -3.996 1.00 0.00 N ATOM 891 CA ALA A 64 -4.016 2.296 -3.956 1.00 0.00 C ATOM 892 C ALA A 64 -3.828 0.800 -3.726 1.00 0.00 C ATOM 893 O ALA A 64 -2.704 0.297 -3.743 1.00 0.00 O ATOM 894 CB ALA A 64 -4.787 2.541 -5.245 1.00 0.00 C ATOM 0 H ALA A 64 -1.927 2.373 -4.110 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.590 2.696 -3.120 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.743 2.019 -5.202 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.962 3.610 -5.367 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.209 2.169 -6.091 1.00 0.00 H new ATOM 900 N ILE A 65 -4.934 0.096 -3.511 1.00 0.00 N ATOM 901 CA ILE A 65 -4.889 -1.342 -3.277 1.00 0.00 C ATOM 902 C ILE A 65 -6.025 -2.053 -4.005 1.00 0.00 C ATOM 903 O ILE A 65 -7.197 -1.861 -3.684 1.00 0.00 O ATOM 904 CB ILE A 65 -4.971 -1.672 -1.775 1.00 0.00 C ATOM 905 CG1 ILE A 65 -3.707 -1.197 -1.056 1.00 0.00 C ATOM 906 CG2 ILE A 65 -5.174 -3.166 -1.571 1.00 0.00 C ATOM 907 CD1 ILE A 65 -3.844 -1.164 0.450 1.00 0.00 C ATOM 0 H ILE A 65 -5.871 0.498 -3.494 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.934 -1.695 -3.666 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.827 -1.148 -1.349 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.879 -1.853 -1.323 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.450 -0.199 -1.411 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.230 -3.383 -0.504 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.101 -3.477 -2.054 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.337 -3.710 -2.009 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.910 -0.818 0.893 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.651 -0.485 0.727 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -4.070 -2.165 0.817 1.00 0.00 H new ATOM 919 N ASN A 66 -5.669 -2.875 -4.987 1.00 0.00 N ATOM 920 CA ASN A 66 -6.659 -3.616 -5.760 1.00 0.00 C ATOM 921 C ASN A 66 -7.675 -2.669 -6.392 1.00 0.00 C ATOM 922 O ASN A 66 -8.877 -2.928 -6.372 1.00 0.00 O ATOM 923 CB ASN A 66 -7.377 -4.631 -4.869 1.00 0.00 C ATOM 924 CG ASN A 66 -6.430 -5.667 -4.294 1.00 0.00 C ATOM 925 OD1 ASN A 66 -5.800 -6.426 -5.031 1.00 0.00 O ATOM 926 ND2 ASN A 66 -6.326 -5.702 -2.971 1.00 0.00 N ATOM 0 H ASN A 66 -4.703 -3.045 -5.266 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.138 -4.147 -6.557 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.876 -4.106 -4.054 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.153 -5.133 -5.447 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -5.705 -6.377 -2.526 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.868 -5.053 -2.400 1.00 0.00 H new ATOM 933 N GLY A 67 -7.182 -1.570 -6.955 1.00 0.00 N ATOM 934 CA GLY A 67 -8.060 -0.601 -7.586 1.00 0.00 C ATOM 935 C GLY A 67 -8.773 0.278 -6.577 1.00 0.00 C ATOM 936 O GLY A 67 -9.886 0.743 -6.825 1.00 0.00 O ATOM 0 H GLY A 67 -6.190 -1.333 -6.986 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.478 0.025 -8.262 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -8.798 -1.125 -8.193 1.00 0.00 H new ATOM 940 N THR A 68 -8.132 0.505 -5.435 1.00 0.00 N ATOM 941 CA THR A 68 -8.712 1.332 -4.384 1.00 0.00 C ATOM 942 C THR A 68 -7.859 2.568 -4.122 1.00 0.00 C ATOM 943 O THR A 68 -6.773 2.474 -3.550 1.00 0.00 O ATOM 944 CB THR A 68 -8.870 0.542 -3.071 1.00 0.00 C ATOM 945 OG1 THR A 68 -9.751 -0.569 -3.270 1.00 0.00 O ATOM 946 CG2 THR A 68 -9.412 1.435 -1.965 1.00 0.00 C ATOM 0 H THR A 68 -7.211 0.128 -5.214 1.00 0.00 H new ATOM 0 HA THR A 68 -9.697 1.642 -4.733 1.00 0.00 H new ATOM 0 HB THR A 68 -7.888 0.176 -2.772 1.00 0.00 H new ATOM 0 HG1 THR A 68 -9.225 -1.374 -3.459 1.00 0.00 H new ATOM 0 HG21 THR A 68 -9.515 0.856 -1.047 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.724 2.263 -1.796 1.00 0.00 H new ATOM 0 HG23 THR A 68 -10.386 1.827 -2.258 1.00 0.00 H new ATOM 954 N SER A 69 -8.358 3.726 -4.543 1.00 0.00 N ATOM 955 CA SER A 69 -7.639 4.981 -4.356 1.00 0.00 C ATOM 956 C SER A 69 -7.346 5.224 -2.879 1.00 0.00 C ATOM 957 O SER A 69 -8.261 5.326 -2.061 1.00 0.00 O ATOM 958 CB SER A 69 -8.450 6.147 -4.926 1.00 0.00 C ATOM 959 OG SER A 69 -7.767 7.376 -4.749 1.00 0.00 O ATOM 0 H SER A 69 -9.257 3.821 -5.016 1.00 0.00 H new ATOM 0 HA SER A 69 -6.691 4.912 -4.890 1.00 0.00 H new ATOM 0 HB2 SER A 69 -8.637 5.980 -5.987 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.422 6.193 -4.435 1.00 0.00 H new ATOM 0 HG SER A 69 -8.304 8.106 -5.123 1.00 0.00 H new ATOM 965 N LEU A 70 -6.064 5.315 -2.544 1.00 0.00 N ATOM 966 CA LEU A 70 -5.647 5.546 -1.165 1.00 0.00 C ATOM 967 C LEU A 70 -4.653 6.700 -1.083 1.00 0.00 C ATOM 968 O LEU A 70 -4.234 7.096 0.005 1.00 0.00 O ATOM 969 CB LEU A 70 -5.024 4.278 -0.580 1.00 0.00 C ATOM 970 CG LEU A 70 -5.978 3.105 -0.353 1.00 0.00 C ATOM 971 CD1 LEU A 70 -5.221 1.895 0.172 1.00 0.00 C ATOM 972 CD2 LEU A 70 -7.089 3.500 0.610 1.00 0.00 C ATOM 0 H LEU A 70 -5.295 5.232 -3.209 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.531 5.810 -0.584 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.227 3.948 -1.246 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.559 4.532 0.373 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.430 2.839 -1.309 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.916 1.070 0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -4.462 1.598 -0.552 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -4.741 2.148 1.117 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -7.759 2.653 0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.655 3.793 1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.650 4.337 0.195 1.00 0.00 H new ATOM 984 N VAL A 71 -4.280 7.237 -2.240 1.00 0.00 N ATOM 985 CA VAL A 71 -3.337 8.347 -2.299 1.00 0.00 C ATOM 986 C VAL A 71 -4.004 9.657 -1.894 1.00 0.00 C ATOM 987 O VAL A 71 -4.333 10.486 -2.741 1.00 0.00 O ATOM 988 CB VAL A 71 -2.741 8.503 -3.711 1.00 0.00 C ATOM 989 CG1 VAL A 71 -3.827 8.868 -4.712 1.00 0.00 C ATOM 990 CG2 VAL A 71 -1.633 9.546 -3.709 1.00 0.00 C ATOM 0 H VAL A 71 -4.617 6.921 -3.150 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.535 8.118 -1.597 1.00 0.00 H new ATOM 0 HB VAL A 71 -2.309 7.548 -4.012 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.387 8.974 -5.704 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.582 8.082 -4.732 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.291 9.810 -4.418 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.223 9.643 -4.714 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.037 10.506 -3.387 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.844 9.237 -3.024 1.00 0.00 H new ATOM 1000 N GLY A 72 -4.201 9.836 -0.591 1.00 0.00 N ATOM 1001 CA GLY A 72 -4.828 11.048 -0.096 1.00 0.00 C ATOM 1002 C GLY A 72 -5.870 10.767 0.969 1.00 0.00 C ATOM 1003 O GLY A 72 -6.860 11.491 1.085 1.00 0.00 O ATOM 0 H GLY A 72 -3.938 9.164 0.130 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.063 11.708 0.313 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.295 11.577 -0.927 1.00 0.00 H new ATOM 1007 N LEU A 73 -5.649 9.714 1.748 1.00 0.00 N ATOM 1008 CA LEU A 73 -6.578 9.338 2.808 1.00 0.00 C ATOM 1009 C LEU A 73 -5.841 9.125 4.127 1.00 0.00 C ATOM 1010 O LEU A 73 -4.640 8.856 4.159 1.00 0.00 O ATOM 1011 CB LEU A 73 -7.335 8.066 2.422 1.00 0.00 C ATOM 1012 CG LEU A 73 -8.521 8.252 1.476 1.00 0.00 C ATOM 1013 CD1 LEU A 73 -8.906 6.928 0.836 1.00 0.00 C ATOM 1014 CD2 LEU A 73 -9.706 8.853 2.217 1.00 0.00 C ATOM 0 H LEU A 73 -4.835 9.105 1.666 1.00 0.00 H new ATOM 0 HA LEU A 73 -7.291 10.152 2.939 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.631 7.375 1.958 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.695 7.590 3.334 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.225 8.942 0.685 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.752 7.080 0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.060 6.538 0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.182 6.215 1.613 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.541 8.978 1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.002 8.189 3.029 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.425 9.823 2.626 1.00 0.00 H new ATOM 1026 N PRO A 74 -6.577 9.245 5.242 1.00 0.00 N ATOM 1027 CA PRO A 74 -6.015 9.067 6.584 1.00 0.00 C ATOM 1028 C PRO A 74 -5.643 7.616 6.868 1.00 0.00 C ATOM 1029 O PRO A 74 -6.265 6.690 6.346 1.00 0.00 O ATOM 1030 CB PRO A 74 -7.150 9.518 7.506 1.00 0.00 C ATOM 1031 CG PRO A 74 -8.392 9.307 6.711 1.00 0.00 C ATOM 1032 CD PRO A 74 -8.014 9.564 5.278 1.00 0.00 C ATOM 0 HA PRO A 74 -5.091 9.629 6.717 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -7.166 8.936 8.427 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.036 10.564 7.792 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -8.770 8.293 6.839 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -9.182 9.985 7.034 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -8.583 8.935 4.593 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.203 10.599 4.992 1.00 0.00 H new ATOM 1040 N LEU A 75 -4.624 7.423 7.700 1.00 0.00 N ATOM 1041 CA LEU A 75 -4.169 6.084 8.054 1.00 0.00 C ATOM 1042 C LEU A 75 -5.352 5.140 8.249 1.00 0.00 C ATOM 1043 O LEU A 75 -5.364 4.027 7.725 1.00 0.00 O ATOM 1044 CB LEU A 75 -3.325 6.132 9.329 1.00 0.00 C ATOM 1045 CG LEU A 75 -2.924 4.779 9.920 1.00 0.00 C ATOM 1046 CD1 LEU A 75 -2.032 4.017 8.953 1.00 0.00 C ATOM 1047 CD2 LEU A 75 -2.225 4.968 11.258 1.00 0.00 C ATOM 0 H LEU A 75 -4.098 8.177 8.141 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.558 5.706 7.234 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.417 6.698 9.119 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.878 6.687 10.086 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.829 4.194 10.085 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.757 3.057 9.391 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.568 3.849 8.019 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -1.131 4.597 8.755 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -1.947 3.995 11.664 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.329 5.573 11.118 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.898 5.472 11.952 1.00 0.00 H new ATOM 1059 N ALA A 76 -6.346 5.595 9.006 1.00 0.00 N ATOM 1060 CA ALA A 76 -7.535 4.793 9.266 1.00 0.00 C ATOM 1061 C ALA A 76 -8.040 4.129 7.989 1.00 0.00 C ATOM 1062 O ALA A 76 -8.221 2.913 7.941 1.00 0.00 O ATOM 1063 CB ALA A 76 -8.627 5.654 9.883 1.00 0.00 C ATOM 0 H ALA A 76 -6.351 6.514 9.449 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.266 4.006 9.971 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -9.509 5.042 10.072 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.270 6.076 10.822 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -8.885 6.461 9.197 1.00 0.00 H new ATOM 1069 N ALA A 77 -8.266 4.936 6.958 1.00 0.00 N ATOM 1070 CA ALA A 77 -8.749 4.426 5.681 1.00 0.00 C ATOM 1071 C ALA A 77 -7.902 3.251 5.203 1.00 0.00 C ATOM 1072 O ALA A 77 -8.423 2.170 4.926 1.00 0.00 O ATOM 1073 CB ALA A 77 -8.754 5.534 4.638 1.00 0.00 C ATOM 0 H ALA A 77 -8.122 5.946 6.982 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.770 4.070 5.823 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.117 5.139 3.689 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -9.407 6.342 4.968 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.741 5.916 4.508 1.00 0.00 H new ATOM 1079 N CYS A 78 -6.595 3.470 5.108 1.00 0.00 N ATOM 1080 CA CYS A 78 -5.676 2.429 4.662 1.00 0.00 C ATOM 1081 C CYS A 78 -5.751 1.210 5.576 1.00 0.00 C ATOM 1082 O CYS A 78 -5.660 0.072 5.116 1.00 0.00 O ATOM 1083 CB CYS A 78 -4.245 2.966 4.624 1.00 0.00 C ATOM 1084 SG CYS A 78 -4.026 4.410 3.559 1.00 0.00 S ATOM 0 H CYS A 78 -6.148 4.359 5.334 1.00 0.00 H new ATOM 0 HA CYS A 78 -5.969 2.125 3.657 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -3.939 3.226 5.637 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -3.580 2.173 4.283 1.00 0.00 H new ATOM 0 HG CYS A 78 -2.784 4.791 3.595 1.00 0.00 H new ATOM 1090 N GLN A 79 -5.915 1.457 6.872 1.00 0.00 N ATOM 1091 CA GLN A 79 -5.999 0.379 7.850 1.00 0.00 C ATOM 1092 C GLN A 79 -7.299 -0.402 7.688 1.00 0.00 C ATOM 1093 O GLN A 79 -7.348 -1.605 7.944 1.00 0.00 O ATOM 1094 CB GLN A 79 -5.900 0.940 9.269 1.00 0.00 C ATOM 1095 CG GLN A 79 -4.474 1.040 9.786 1.00 0.00 C ATOM 1096 CD GLN A 79 -4.396 0.984 11.299 1.00 0.00 C ATOM 1097 OE1 GLN A 79 -5.354 1.322 11.994 1.00 0.00 O ATOM 1098 NE2 GLN A 79 -3.251 0.555 11.817 1.00 0.00 N ATOM 0 H GLN A 79 -5.992 2.394 7.269 1.00 0.00 H new ATOM 0 HA GLN A 79 -5.164 -0.300 7.677 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.356 1.930 9.292 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.478 0.307 9.942 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -3.881 0.228 9.365 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -4.030 1.972 9.437 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.483 0.285 11.203 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -3.140 0.495 12.829 1.00 0.00 H new ATOM 1107 N ALA A 80 -8.351 0.290 7.263 1.00 0.00 N ATOM 1108 CA ALA A 80 -9.651 -0.339 7.066 1.00 0.00 C ATOM 1109 C ALA A 80 -9.665 -1.186 5.798 1.00 0.00 C ATOM 1110 O ALA A 80 -10.163 -2.311 5.798 1.00 0.00 O ATOM 1111 CB ALA A 80 -10.745 0.717 7.010 1.00 0.00 C ATOM 0 H ALA A 80 -8.328 1.287 7.048 1.00 0.00 H new ATOM 0 HA ALA A 80 -9.840 -0.998 7.913 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -11.711 0.233 6.863 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.759 1.277 7.945 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.551 1.399 6.182 1.00 0.00 H new ATOM 1117 N ALA A 81 -9.115 -0.638 4.720 1.00 0.00 N ATOM 1118 CA ALA A 81 -9.063 -1.344 3.446 1.00 0.00 C ATOM 1119 C ALA A 81 -8.139 -2.555 3.527 1.00 0.00 C ATOM 1120 O ALA A 81 -8.533 -3.672 3.193 1.00 0.00 O ATOM 1121 CB ALA A 81 -8.608 -0.404 2.340 1.00 0.00 C ATOM 0 H ALA A 81 -8.699 0.293 4.703 1.00 0.00 H new ATOM 0 HA ALA A 81 -10.067 -1.700 3.215 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -8.574 -0.945 1.394 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.308 0.427 2.258 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.615 -0.020 2.574 1.00 0.00 H new ATOM 1127 N VAL A 82 -6.908 -2.325 3.971 1.00 0.00 N ATOM 1128 CA VAL A 82 -5.928 -3.398 4.096 1.00 0.00 C ATOM 1129 C VAL A 82 -6.492 -4.567 4.894 1.00 0.00 C ATOM 1130 O VAL A 82 -6.024 -5.699 4.771 1.00 0.00 O ATOM 1131 CB VAL A 82 -4.637 -2.902 4.775 1.00 0.00 C ATOM 1132 CG1 VAL A 82 -4.890 -2.596 6.243 1.00 0.00 C ATOM 1133 CG2 VAL A 82 -3.526 -3.929 4.619 1.00 0.00 C ATOM 0 H VAL A 82 -6.565 -1.406 4.250 1.00 0.00 H new ATOM 0 HA VAL A 82 -5.693 -3.732 3.085 1.00 0.00 H new ATOM 0 HB VAL A 82 -4.320 -1.981 4.286 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -3.967 -2.247 6.706 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -5.653 -1.822 6.327 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -5.231 -3.499 6.749 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.621 -3.563 5.104 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -3.831 -4.868 5.081 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -3.328 -4.093 3.560 1.00 0.00 H new ATOM 1143 N ARG A 83 -7.501 -4.287 5.712 1.00 0.00 N ATOM 1144 CA ARG A 83 -8.130 -5.316 6.531 1.00 0.00 C ATOM 1145 C ARG A 83 -9.220 -6.042 5.750 1.00 0.00 C ATOM 1146 O ARG A 83 -9.544 -7.193 6.042 1.00 0.00 O ATOM 1147 CB ARG A 83 -8.722 -4.697 7.799 1.00 0.00 C ATOM 1148 CG ARG A 83 -7.676 -4.282 8.820 1.00 0.00 C ATOM 1149 CD ARG A 83 -7.342 -5.421 9.771 1.00 0.00 C ATOM 1150 NE ARG A 83 -6.395 -5.011 10.804 1.00 0.00 N ATOM 1151 CZ ARG A 83 -6.020 -5.794 11.810 1.00 0.00 C ATOM 1152 NH1 ARG A 83 -6.510 -7.022 11.917 1.00 0.00 N ATOM 1153 NH2 ARG A 83 -5.154 -5.350 12.711 1.00 0.00 N ATOM 0 H ARG A 83 -7.901 -3.355 5.825 1.00 0.00 H new ATOM 0 HA ARG A 83 -7.365 -6.040 6.811 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -9.315 -3.825 7.524 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -9.402 -5.413 8.259 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.771 -3.960 8.305 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -8.041 -3.427 9.389 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -8.257 -5.781 10.241 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.924 -6.254 9.206 1.00 0.00 H new ATOM 0 HE ARG A 83 -6.000 -4.072 10.750 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.176 -7.367 11.226 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -6.221 -7.621 12.690 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.775 -4.406 12.632 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.867 -5.952 13.483 1.00 0.00 H new ATOM 1167 N GLU A 84 -9.783 -5.362 4.756 1.00 0.00 N ATOM 1168 CA GLU A 84 -10.838 -5.942 3.934 1.00 0.00 C ATOM 1169 C GLU A 84 -10.263 -6.951 2.943 1.00 0.00 C ATOM 1170 O GLU A 84 -10.930 -7.912 2.559 1.00 0.00 O ATOM 1171 CB GLU A 84 -11.591 -4.844 3.181 1.00 0.00 C ATOM 1172 CG GLU A 84 -12.594 -4.094 4.041 1.00 0.00 C ATOM 1173 CD GLU A 84 -13.646 -5.007 4.641 1.00 0.00 C ATOM 1174 OE1 GLU A 84 -13.950 -6.048 4.021 1.00 0.00 O ATOM 1175 OE2 GLU A 84 -14.165 -4.681 5.729 1.00 0.00 O ATOM 0 H GLU A 84 -9.526 -4.409 4.501 1.00 0.00 H new ATOM 0 HA GLU A 84 -11.533 -6.462 4.594 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.871 -4.134 2.775 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -12.113 -5.289 2.333 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -12.066 -3.578 4.843 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.083 -3.329 3.438 1.00 0.00 H new ATOM 1182 N THR A 85 -9.019 -6.724 2.532 1.00 0.00 N ATOM 1183 CA THR A 85 -8.353 -7.611 1.586 1.00 0.00 C ATOM 1184 C THR A 85 -8.129 -8.992 2.190 1.00 0.00 C ATOM 1185 O THR A 85 -8.226 -10.007 1.499 1.00 0.00 O ATOM 1186 CB THR A 85 -6.998 -7.034 1.134 1.00 0.00 C ATOM 1187 OG1 THR A 85 -6.338 -6.409 2.240 1.00 0.00 O ATOM 1188 CG2 THR A 85 -7.186 -6.024 0.012 1.00 0.00 C ATOM 0 H THR A 85 -8.453 -5.933 2.840 1.00 0.00 H new ATOM 0 HA THR A 85 -9.009 -7.699 0.720 1.00 0.00 H new ATOM 0 HB THR A 85 -6.385 -7.855 0.763 1.00 0.00 H new ATOM 0 HG1 THR A 85 -6.599 -6.856 3.072 1.00 0.00 H new ATOM 0 HG21 THR A 85 -6.215 -5.631 -0.290 1.00 0.00 H new ATOM 0 HG22 THR A 85 -7.661 -6.511 -0.840 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.816 -5.206 0.361 1.00 0.00 H new ATOM 1196 N LYS A 86 -7.830 -9.025 3.484 1.00 0.00 N ATOM 1197 CA LYS A 86 -7.594 -10.283 4.183 1.00 0.00 C ATOM 1198 C LYS A 86 -8.505 -11.383 3.647 1.00 0.00 C ATOM 1199 O LYS A 86 -8.040 -12.461 3.276 1.00 0.00 O ATOM 1200 CB LYS A 86 -7.821 -10.105 5.686 1.00 0.00 C ATOM 1201 CG LYS A 86 -7.356 -11.289 6.516 1.00 0.00 C ATOM 1202 CD LYS A 86 -7.832 -11.183 7.955 1.00 0.00 C ATOM 1203 CE LYS A 86 -7.296 -12.324 8.805 1.00 0.00 C ATOM 1204 NZ LYS A 86 -7.987 -12.408 10.121 1.00 0.00 N ATOM 0 H LYS A 86 -7.745 -8.195 4.070 1.00 0.00 H new ATOM 0 HA LYS A 86 -6.559 -10.577 4.010 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.297 -9.210 6.020 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -8.883 -9.940 5.867 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -7.730 -12.213 6.075 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.268 -11.344 6.495 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.509 -10.231 8.377 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.922 -11.190 7.980 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.420 -13.265 8.269 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -6.227 -12.186 8.965 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -7.593 -13.198 10.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -7.848 -11.520 10.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.004 -12.565 9.970 1.00 0.00 H new ATOM 1218 N SER A 87 -9.803 -11.102 3.608 1.00 0.00 N ATOM 1219 CA SER A 87 -10.779 -12.069 3.119 1.00 0.00 C ATOM 1220 C SER A 87 -10.373 -12.607 1.750 1.00 0.00 C ATOM 1221 O SER A 87 -10.478 -13.804 1.487 1.00 0.00 O ATOM 1222 CB SER A 87 -12.166 -11.428 3.037 1.00 0.00 C ATOM 1223 OG SER A 87 -12.169 -10.333 2.138 1.00 0.00 O ATOM 0 H SER A 87 -10.203 -10.213 3.909 1.00 0.00 H new ATOM 0 HA SER A 87 -10.812 -12.902 3.822 1.00 0.00 H new ATOM 0 HB2 SER A 87 -12.895 -12.171 2.713 1.00 0.00 H new ATOM 0 HB3 SER A 87 -12.473 -11.091 4.027 1.00 0.00 H new ATOM 0 HG SER A 87 -11.645 -9.597 2.517 1.00 0.00 H new ATOM 1229 N GLN A 88 -9.910 -11.712 0.884 1.00 0.00 N ATOM 1230 CA GLN A 88 -9.489 -12.096 -0.458 1.00 0.00 C ATOM 1231 C GLN A 88 -8.176 -12.871 -0.416 1.00 0.00 C ATOM 1232 O GLN A 88 -7.516 -12.941 0.622 1.00 0.00 O ATOM 1233 CB GLN A 88 -9.334 -10.856 -1.341 1.00 0.00 C ATOM 1234 CG GLN A 88 -10.339 -9.759 -1.030 1.00 0.00 C ATOM 1235 CD GLN A 88 -11.728 -10.300 -0.754 1.00 0.00 C ATOM 1236 OE1 GLN A 88 -12.031 -11.452 -1.066 1.00 0.00 O ATOM 1237 NE2 GLN A 88 -12.581 -9.469 -0.166 1.00 0.00 N ATOM 0 H GLN A 88 -9.817 -10.717 1.087 1.00 0.00 H new ATOM 0 HA GLN A 88 -10.258 -12.742 -0.882 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -8.326 -10.459 -1.221 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -9.439 -11.148 -2.386 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -9.996 -9.192 -0.165 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -10.384 -9.064 -1.869 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -12.287 -8.523 0.075 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -13.530 -9.777 0.045 1.00 0.00 H new ATOM 1246 N THR A 89 -7.802 -13.454 -1.550 1.00 0.00 N ATOM 1247 CA THR A 89 -6.569 -14.226 -1.643 1.00 0.00 C ATOM 1248 C THR A 89 -5.562 -13.546 -2.563 1.00 0.00 C ATOM 1249 O THR A 89 -4.476 -14.072 -2.807 1.00 0.00 O ATOM 1250 CB THR A 89 -6.837 -15.653 -2.158 1.00 0.00 C ATOM 1251 OG1 THR A 89 -7.572 -15.600 -3.386 1.00 0.00 O ATOM 1252 CG2 THR A 89 -7.613 -16.463 -1.130 1.00 0.00 C ATOM 0 H THR A 89 -8.336 -13.406 -2.418 1.00 0.00 H new ATOM 0 HA THR A 89 -6.155 -14.283 -0.636 1.00 0.00 H new ATOM 0 HB THR A 89 -5.877 -16.140 -2.330 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.737 -16.511 -3.708 1.00 0.00 H new ATOM 0 HG21 THR A 89 -7.790 -17.467 -1.516 1.00 0.00 H new ATOM 0 HG22 THR A 89 -7.037 -16.526 -0.207 1.00 0.00 H new ATOM 0 HG23 THR A 89 -8.568 -15.977 -0.930 1.00 0.00 H new ATOM 1260 N SER A 90 -5.929 -12.374 -3.071 1.00 0.00 N ATOM 1261 CA SER A 90 -5.058 -11.624 -3.968 1.00 0.00 C ATOM 1262 C SER A 90 -5.025 -10.148 -3.584 1.00 0.00 C ATOM 1263 O SER A 90 -6.048 -9.564 -3.226 1.00 0.00 O ATOM 1264 CB SER A 90 -5.530 -11.775 -5.416 1.00 0.00 C ATOM 1265 OG SER A 90 -6.870 -11.340 -5.564 1.00 0.00 O ATOM 0 H SER A 90 -6.823 -11.923 -2.877 1.00 0.00 H new ATOM 0 HA SER A 90 -4.050 -12.028 -3.878 1.00 0.00 H new ATOM 0 HB2 SER A 90 -4.882 -11.197 -6.075 1.00 0.00 H new ATOM 0 HB3 SER A 90 -5.447 -12.818 -5.722 1.00 0.00 H new ATOM 0 HG SER A 90 -7.147 -11.445 -6.498 1.00 0.00 H new ATOM 1271 N VAL A 91 -3.840 -9.549 -3.659 1.00 0.00 N ATOM 1272 CA VAL A 91 -3.672 -8.141 -3.321 1.00 0.00 C ATOM 1273 C VAL A 91 -2.656 -7.473 -4.240 1.00 0.00 C ATOM 1274 O VAL A 91 -1.523 -7.935 -4.373 1.00 0.00 O ATOM 1275 CB VAL A 91 -3.219 -7.966 -1.859 1.00 0.00 C ATOM 1276 CG1 VAL A 91 -2.928 -6.503 -1.562 1.00 0.00 C ATOM 1277 CG2 VAL A 91 -4.271 -8.514 -0.906 1.00 0.00 C ATOM 0 H VAL A 91 -2.982 -10.018 -3.951 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.644 -7.665 -3.452 1.00 0.00 H new ATOM 0 HB VAL A 91 -2.299 -8.532 -1.711 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.609 -6.399 -0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.137 -6.148 -2.222 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.829 -5.912 -1.726 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -3.934 -8.382 0.122 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.209 -7.978 -1.052 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.424 -9.575 -1.104 1.00 0.00 H new ATOM 1287 N THR A 92 -3.069 -6.380 -4.874 1.00 0.00 N ATOM 1288 CA THR A 92 -2.196 -5.646 -5.782 1.00 0.00 C ATOM 1289 C THR A 92 -1.798 -4.298 -5.193 1.00 0.00 C ATOM 1290 O THR A 92 -2.650 -3.450 -4.924 1.00 0.00 O ATOM 1291 CB THR A 92 -2.871 -5.418 -7.148 1.00 0.00 C ATOM 1292 OG1 THR A 92 -3.355 -6.661 -7.669 1.00 0.00 O ATOM 1293 CG2 THR A 92 -1.896 -4.793 -8.135 1.00 0.00 C ATOM 0 H THR A 92 -4.003 -5.983 -4.775 1.00 0.00 H new ATOM 0 HA THR A 92 -1.303 -6.255 -5.923 1.00 0.00 H new ATOM 0 HB THR A 92 -3.708 -4.734 -7.006 1.00 0.00 H new ATOM 0 HG1 THR A 92 -3.784 -6.507 -8.537 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.395 -4.641 -9.092 1.00 0.00 H new ATOM 0 HG22 THR A 92 -1.552 -3.833 -7.749 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.042 -5.456 -8.272 1.00 0.00 H new ATOM 1301 N LEU A 93 -0.499 -4.105 -4.994 1.00 0.00 N ATOM 1302 CA LEU A 93 0.013 -2.858 -4.437 1.00 0.00 C ATOM 1303 C LEU A 93 0.570 -1.959 -5.536 1.00 0.00 C ATOM 1304 O LEU A 93 1.279 -2.420 -6.430 1.00 0.00 O ATOM 1305 CB LEU A 93 1.100 -3.148 -3.400 1.00 0.00 C ATOM 1306 CG LEU A 93 0.636 -3.841 -2.118 1.00 0.00 C ATOM 1307 CD1 LEU A 93 1.786 -3.959 -1.130 1.00 0.00 C ATOM 1308 CD2 LEU A 93 -0.529 -3.085 -1.495 1.00 0.00 C ATOM 0 H LEU A 93 0.219 -4.796 -5.210 1.00 0.00 H new ATOM 0 HA LEU A 93 -0.814 -2.339 -3.952 1.00 0.00 H new ATOM 0 HB2 LEU A 93 1.865 -3.768 -3.868 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.576 -2.206 -3.128 1.00 0.00 H new ATOM 0 HG LEU A 93 0.297 -4.845 -2.372 1.00 0.00 H new ATOM 0 HD11 LEU A 93 1.438 -4.454 -0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 93 2.591 -4.543 -1.576 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.155 -2.964 -0.881 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.846 -3.592 -0.584 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -0.216 -2.069 -1.255 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.360 -3.052 -2.200 1.00 0.00 H new ATOM 1320 N SER A 94 0.246 -0.672 -5.462 1.00 0.00 N ATOM 1321 CA SER A 94 0.712 0.293 -6.451 1.00 0.00 C ATOM 1322 C SER A 94 1.537 1.393 -5.790 1.00 0.00 C ATOM 1323 O SER A 94 1.012 2.200 -5.022 1.00 0.00 O ATOM 1324 CB SER A 94 -0.475 0.906 -7.195 1.00 0.00 C ATOM 1325 OG SER A 94 -0.816 0.136 -8.335 1.00 0.00 O ATOM 0 H SER A 94 -0.338 -0.273 -4.727 1.00 0.00 H new ATOM 0 HA SER A 94 1.346 -0.233 -7.165 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.333 0.971 -6.526 1.00 0.00 H new ATOM 0 HB3 SER A 94 -0.231 1.924 -7.500 1.00 0.00 H new ATOM 0 HG SER A 94 -1.579 0.548 -8.792 1.00 0.00 H new ATOM 1331 N ILE A 95 2.830 1.418 -6.094 1.00 0.00 N ATOM 1332 CA ILE A 95 3.727 2.419 -5.531 1.00 0.00 C ATOM 1333 C ILE A 95 4.465 3.176 -6.630 1.00 0.00 C ATOM 1334 O ILE A 95 4.258 2.926 -7.818 1.00 0.00 O ATOM 1335 CB ILE A 95 4.758 1.781 -4.582 1.00 0.00 C ATOM 1336 CG1 ILE A 95 5.723 0.890 -5.367 1.00 0.00 C ATOM 1337 CG2 ILE A 95 4.054 0.982 -3.496 1.00 0.00 C ATOM 1338 CD1 ILE A 95 7.101 0.800 -4.749 1.00 0.00 C ATOM 0 H ILE A 95 3.280 0.757 -6.727 1.00 0.00 H new ATOM 0 HA ILE A 95 3.107 3.115 -4.966 1.00 0.00 H new ATOM 0 HB ILE A 95 5.333 2.575 -4.106 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.301 -0.112 -5.441 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.814 1.274 -6.383 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.796 0.537 -2.833 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.404 1.642 -2.922 1.00 0.00 H new ATOM 0 HG23 ILE A 95 3.457 0.193 -3.954 1.00 0.00 H new ATOM 0 HD11 ILE A 95 7.731 0.152 -5.358 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.543 1.795 -4.700 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.022 0.388 -3.743 1.00 0.00 H new ATOM 1350 N VAL A 96 5.329 4.102 -6.226 1.00 0.00 N ATOM 1351 CA VAL A 96 6.101 4.894 -7.176 1.00 0.00 C ATOM 1352 C VAL A 96 7.443 4.237 -7.477 1.00 0.00 C ATOM 1353 O VAL A 96 8.286 4.088 -6.591 1.00 0.00 O ATOM 1354 CB VAL A 96 6.346 6.320 -6.649 1.00 0.00 C ATOM 1355 CG1 VAL A 96 7.044 7.167 -7.703 1.00 0.00 C ATOM 1356 CG2 VAL A 96 5.036 6.962 -6.220 1.00 0.00 C ATOM 0 H VAL A 96 5.512 4.322 -5.247 1.00 0.00 H new ATOM 0 HA VAL A 96 5.514 4.949 -8.093 1.00 0.00 H new ATOM 0 HB VAL A 96 6.997 6.259 -5.777 1.00 0.00 H new ATOM 0 HG11 VAL A 96 7.209 8.171 -7.312 1.00 0.00 H new ATOM 0 HG12 VAL A 96 8.003 6.715 -7.957 1.00 0.00 H new ATOM 0 HG13 VAL A 96 6.421 7.223 -8.596 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.228 7.969 -5.850 1.00 0.00 H new ATOM 0 HG22 VAL A 96 4.359 7.012 -7.073 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.581 6.366 -5.429 1.00 0.00 H new ATOM 1366 N HIS A 97 7.637 3.846 -8.732 1.00 0.00 N ATOM 1367 CA HIS A 97 8.878 3.205 -9.151 1.00 0.00 C ATOM 1368 C HIS A 97 9.689 4.129 -10.054 1.00 0.00 C ATOM 1369 O HIS A 97 9.925 3.821 -11.223 1.00 0.00 O ATOM 1370 CB HIS A 97 8.580 1.894 -9.879 1.00 0.00 C ATOM 1371 CG HIS A 97 7.825 2.078 -11.159 1.00 0.00 C ATOM 1372 ND1 HIS A 97 8.390 1.881 -12.401 1.00 0.00 N ATOM 1373 CD2 HIS A 97 6.541 2.443 -11.385 1.00 0.00 C ATOM 1374 CE1 HIS A 97 7.487 2.117 -13.336 1.00 0.00 C ATOM 1375 NE2 HIS A 97 6.356 2.460 -12.745 1.00 0.00 N ATOM 0 H HIS A 97 6.950 3.962 -9.477 1.00 0.00 H new ATOM 0 HA HIS A 97 9.466 2.990 -8.259 1.00 0.00 H new ATOM 0 HB2 HIS A 97 9.520 1.384 -10.091 1.00 0.00 H new ATOM 0 HB3 HIS A 97 8.006 1.244 -9.219 1.00 0.00 H new ATOM 0 HD2 HIS A 97 5.800 2.677 -10.635 1.00 0.00 H new ATOM 0 HE1 HIS A 97 7.646 2.042 -14.402 1.00 0.00 H new ATOM 0 HE2 HIS A 97 5.487 2.699 -13.222 1.00 0.00 H new ATOM 1383 N CYS A 98 10.112 5.263 -9.505 1.00 0.00 N ATOM 1384 CA CYS A 98 10.895 6.233 -10.262 1.00 0.00 C ATOM 1385 C CYS A 98 11.839 7.004 -9.345 1.00 0.00 C ATOM 1386 O CYS A 98 11.434 7.563 -8.326 1.00 0.00 O ATOM 1387 CB CYS A 98 9.971 7.205 -10.996 1.00 0.00 C ATOM 1388 SG CYS A 98 10.691 7.923 -12.491 1.00 0.00 S ATOM 0 H CYS A 98 9.926 5.533 -8.539 1.00 0.00 H new ATOM 0 HA CYS A 98 11.492 5.689 -10.994 1.00 0.00 H new ATOM 0 HB2 CYS A 98 9.052 6.684 -11.263 1.00 0.00 H new ATOM 0 HB3 CYS A 98 9.695 8.011 -10.316 1.00 0.00 H new ATOM 0 HG CYS A 98 9.833 8.729 -13.042 1.00 0.00 H new ATOM 1394 N PRO A 99 13.128 7.035 -9.712 1.00 0.00 N ATOM 1395 CA PRO A 99 14.157 7.733 -8.935 1.00 0.00 C ATOM 1396 C PRO A 99 14.001 9.249 -8.999 1.00 0.00 C ATOM 1397 O PRO A 99 13.267 9.788 -9.828 1.00 0.00 O ATOM 1398 CB PRO A 99 15.463 7.301 -9.606 1.00 0.00 C ATOM 1399 CG PRO A 99 15.074 6.951 -11.001 1.00 0.00 C ATOM 1400 CD PRO A 99 13.682 6.390 -10.915 1.00 0.00 C ATOM 0 HA PRO A 99 14.105 7.486 -7.875 1.00 0.00 H new ATOM 0 HB2 PRO A 99 16.201 8.103 -9.590 1.00 0.00 H new ATOM 0 HB3 PRO A 99 15.908 6.448 -9.093 1.00 0.00 H new ATOM 0 HG2 PRO A 99 15.101 7.829 -11.646 1.00 0.00 H new ATOM 0 HG3 PRO A 99 15.763 6.222 -11.427 1.00 0.00 H new ATOM 0 HD2 PRO A 99 13.097 6.628 -11.804 1.00 0.00 H new ATOM 0 HD3 PRO A 99 13.691 5.304 -10.821 1.00 0.00 H new ATOM 1408 N PRO A 100 14.708 9.955 -8.104 1.00 0.00 N ATOM 1409 CA PRO A 100 14.665 11.419 -8.039 1.00 0.00 C ATOM 1410 C PRO A 100 15.345 12.072 -9.237 1.00 0.00 C ATOM 1411 O PRO A 100 16.515 11.810 -9.519 1.00 0.00 O ATOM 1412 CB PRO A 100 15.428 11.739 -6.751 1.00 0.00 C ATOM 1413 CG PRO A 100 16.338 10.576 -6.550 1.00 0.00 C ATOM 1414 CD PRO A 100 15.603 9.378 -7.087 1.00 0.00 C ATOM 0 HA PRO A 100 13.643 11.798 -8.051 1.00 0.00 H new ATOM 0 HB2 PRO A 100 15.989 12.669 -6.844 1.00 0.00 H new ATOM 0 HB3 PRO A 100 14.748 11.860 -5.908 1.00 0.00 H new ATOM 0 HG2 PRO A 100 17.281 10.723 -7.076 1.00 0.00 H new ATOM 0 HG3 PRO A 100 16.578 10.446 -5.495 1.00 0.00 H new ATOM 0 HD2 PRO A 100 16.287 8.648 -7.521 1.00 0.00 H new ATOM 0 HD3 PRO A 100 15.044 8.865 -6.304 1.00 0.00 H new ATOM 1422 N VAL A 101 14.605 12.924 -9.940 1.00 0.00 N ATOM 1423 CA VAL A 101 15.138 13.616 -11.107 1.00 0.00 C ATOM 1424 C VAL A 101 14.965 15.125 -10.977 1.00 0.00 C ATOM 1425 O VAL A 101 13.884 15.610 -10.645 1.00 0.00 O ATOM 1426 CB VAL A 101 14.452 13.142 -12.402 1.00 0.00 C ATOM 1427 CG1 VAL A 101 14.634 11.642 -12.584 1.00 0.00 C ATOM 1428 CG2 VAL A 101 12.976 13.511 -12.389 1.00 0.00 C ATOM 0 H VAL A 101 13.635 13.151 -9.721 1.00 0.00 H new ATOM 0 HA VAL A 101 16.200 13.378 -11.159 1.00 0.00 H new ATOM 0 HB VAL A 101 14.921 13.646 -13.247 1.00 0.00 H new ATOM 0 HG11 VAL A 101 14.143 11.325 -13.504 1.00 0.00 H new ATOM 0 HG12 VAL A 101 15.697 11.409 -12.641 1.00 0.00 H new ATOM 0 HG13 VAL A 101 14.192 11.117 -11.737 1.00 0.00 H new ATOM 0 HG21 VAL A 101 12.507 13.168 -13.312 1.00 0.00 H new ATOM 0 HG22 VAL A 101 12.490 13.036 -11.537 1.00 0.00 H new ATOM 0 HG23 VAL A 101 12.872 14.593 -12.309 1.00 0.00 H new TER 1438 VAL A 101