USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 630 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 31 MET CE :methyl -178:sc= -0.231 (180deg=-0.232) USER MOD Set 1.2: A 34 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 20 SER OG : rot 172:sc= -0.531 USER MOD Set 2.2: A 28 SER OG : rot 180:sc= -0.27 USER MOD Single : A 5 SER OG : rot 180:sc= -0.222 USER MOD Single : A 15 TYR OH : rot -135:sc= 1.19 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0.932 K(o=0.93,f=0) USER MOD Single : A 25 CYS SG : rot 37:sc= -4.55! USER MOD Single : A 29 CYS SG : rot 180:sc= -0.0285 USER MOD Single : A 46 GLN : amide:sc= -0.198 K(o=-0.2,f=-2.2!) USER MOD Single : A 51 ASN : amide:sc= -0.0874 K(o=-0.087,f=-1.4!) USER MOD Single : A 54 ASN : amide:sc=-0.00434 X(o=-0.0043,f=-0.5) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 128:sc= 0.0398 USER MOD Single : A 60 HIS : no HD1:sc= -1.51 K(o=-1.5,f=-3.7!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 CYS SG : rot -168:sc= 0.939 USER MOD Single : A 71 SER OG : rot 58:sc= 0.188 USER MOD Single : A 75 HIS : no HD1:sc= -0.884 X(o=-0.88,f=-0.97) USER MOD Single : A 76 MET CE :methyl -110:sc= -2.96! (180deg=-4.55!) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -3.706 -3.581 -17.742 1.00 0.00 N ATOM 2 CA PRO A 1 -2.801 -3.743 -16.574 1.00 0.00 C ATOM 3 C PRO A 1 -2.461 -2.399 -15.920 1.00 0.00 C ATOM 4 O PRO A 1 -2.814 -2.161 -14.767 1.00 0.00 O ATOM 5 CB PRO A 1 -1.533 -4.436 -17.062 1.00 0.00 C ATOM 6 CG PRO A 1 -1.813 -4.764 -18.493 1.00 0.00 C ATOM 7 CD PRO A 1 -2.898 -3.816 -18.950 1.00 0.00 C ATOM 0 H2 PRO A 1 -4.112 -2.646 -17.756 1.00 0.00 H new ATOM 0 H3 PRO A 1 -4.481 -4.242 -17.692 1.00 0.00 H new ATOM 0 HA PRO A 1 -3.300 -4.340 -15.811 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -0.663 -3.786 -16.967 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -1.324 -5.335 -16.482 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -0.915 -4.647 -19.100 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -2.135 -5.800 -18.597 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -2.478 -2.887 -19.335 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -3.496 -4.252 -19.750 1.00 0.00 H new ATOM 17 N ARG A 2 -1.773 -1.529 -16.673 1.00 0.00 N ATOM 18 CA ARG A 2 -1.372 -0.201 -16.188 1.00 0.00 C ATOM 19 C ARG A 2 -0.281 -0.303 -15.113 1.00 0.00 C ATOM 20 O ARG A 2 0.849 0.124 -15.342 1.00 0.00 O ATOM 21 CB ARG A 2 -2.585 0.575 -15.650 1.00 0.00 C ATOM 22 CG ARG A 2 -3.017 1.731 -16.546 1.00 0.00 C ATOM 23 CD ARG A 2 -4.444 2.175 -16.253 1.00 0.00 C ATOM 24 NE ARG A 2 -4.500 3.218 -15.227 1.00 0.00 N ATOM 25 CZ ARG A 2 -5.551 4.020 -15.030 1.00 0.00 C ATOM 26 NH1 ARG A 2 -6.644 3.899 -15.782 1.00 0.00 N ATOM 27 NH2 ARG A 2 -5.515 4.939 -14.072 1.00 0.00 N ATOM 0 H ARG A 2 -1.480 -1.725 -17.630 1.00 0.00 H new ATOM 0 HA ARG A 2 -0.959 0.346 -17.035 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -3.422 -0.113 -15.530 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -2.347 0.963 -14.660 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -2.339 2.573 -16.405 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -2.938 1.430 -17.591 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -4.903 2.545 -17.170 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -5.030 1.316 -15.927 1.00 0.00 H new ATOM 0 HE ARG A 2 -3.686 3.340 -14.625 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -6.683 3.190 -16.515 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -7.442 4.515 -15.625 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -4.685 5.033 -13.486 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -6.317 5.551 -13.922 1.00 0.00 H new ATOM 41 N VAL A 3 -0.640 -0.871 -13.951 1.00 0.00 N ATOM 42 CA VAL A 3 0.274 -1.050 -12.812 1.00 0.00 C ATOM 43 C VAL A 3 1.150 0.186 -12.557 1.00 0.00 C ATOM 44 O VAL A 3 2.158 0.408 -13.232 1.00 0.00 O ATOM 45 CB VAL A 3 1.161 -2.317 -12.970 1.00 0.00 C ATOM 46 CG1 VAL A 3 1.906 -2.330 -14.300 1.00 0.00 C ATOM 47 CG2 VAL A 3 2.138 -2.441 -11.811 1.00 0.00 C ATOM 0 H VAL A 3 -1.581 -1.222 -13.774 1.00 0.00 H new ATOM 0 HA VAL A 3 -0.365 -1.187 -11.939 1.00 0.00 H new ATOM 0 HB VAL A 3 0.494 -3.179 -12.960 1.00 0.00 H new ATOM 0 HG11 VAL A 3 2.513 -3.233 -14.368 1.00 0.00 H new ATOM 0 HG12 VAL A 3 1.188 -2.313 -15.120 1.00 0.00 H new ATOM 0 HG13 VAL A 3 2.551 -1.453 -14.365 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.748 -3.335 -11.943 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.783 -1.563 -11.783 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.585 -2.515 -10.875 1.00 0.00 H new ATOM 57 N ARG A 4 0.759 0.978 -11.560 1.00 0.00 N ATOM 58 CA ARG A 4 1.502 2.186 -11.203 1.00 0.00 C ATOM 59 C ARG A 4 2.098 2.076 -9.797 1.00 0.00 C ATOM 60 O ARG A 4 1.734 1.184 -9.023 1.00 0.00 O ATOM 61 CB ARG A 4 0.601 3.423 -11.299 1.00 0.00 C ATOM 62 CG ARG A 4 -0.596 3.389 -10.359 1.00 0.00 C ATOM 63 CD ARG A 4 -1.311 4.733 -10.304 1.00 0.00 C ATOM 64 NE ARG A 4 -0.961 5.497 -9.104 1.00 0.00 N ATOM 65 CZ ARG A 4 -1.160 6.812 -8.964 1.00 0.00 C ATOM 66 NH1 ARG A 4 -1.721 7.519 -9.942 1.00 0.00 N ATOM 67 NH2 ARG A 4 -0.800 7.421 -7.840 1.00 0.00 N ATOM 0 H ARG A 4 -0.066 0.806 -10.986 1.00 0.00 H new ATOM 0 HA ARG A 4 2.322 2.292 -11.913 1.00 0.00 H new ATOM 0 HB2 ARG A 4 1.195 4.311 -11.083 1.00 0.00 H new ATOM 0 HB3 ARG A 4 0.243 3.521 -12.324 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -1.294 2.619 -10.687 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -0.264 3.113 -9.358 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -1.056 5.315 -11.190 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -2.389 4.571 -10.328 1.00 0.00 H new ATOM 0 HE ARG A 4 -0.538 4.993 -8.325 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -2.003 7.058 -10.807 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -1.869 8.522 -9.826 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -0.372 6.886 -7.084 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -0.951 8.424 -7.732 1.00 0.00 H new ATOM 81 N SER A 5 3.011 2.991 -9.475 1.00 0.00 N ATOM 82 CA SER A 5 3.663 3.009 -8.166 1.00 0.00 C ATOM 83 C SER A 5 3.183 4.196 -7.333 1.00 0.00 C ATOM 84 O SER A 5 2.971 5.289 -7.863 1.00 0.00 O ATOM 85 CB SER A 5 5.186 3.068 -8.329 1.00 0.00 C ATOM 86 OG SER A 5 5.751 1.769 -8.303 1.00 0.00 O ATOM 0 H SER A 5 3.317 3.732 -10.105 1.00 0.00 H new ATOM 0 HA SER A 5 3.396 2.090 -7.644 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.436 3.558 -9.270 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.617 3.672 -7.531 1.00 0.00 H new ATOM 0 HG SER A 5 6.723 1.833 -8.411 1.00 0.00 H new ATOM 92 N VAL A 6 3.014 3.972 -6.030 1.00 0.00 N ATOM 93 CA VAL A 6 2.560 5.022 -5.122 1.00 0.00 C ATOM 94 C VAL A 6 3.472 5.128 -3.900 1.00 0.00 C ATOM 95 O VAL A 6 3.789 4.122 -3.260 1.00 0.00 O ATOM 96 CB VAL A 6 1.106 4.769 -4.659 1.00 0.00 C ATOM 97 CG1 VAL A 6 0.598 5.920 -3.799 1.00 0.00 C ATOM 98 CG2 VAL A 6 0.195 4.556 -5.860 1.00 0.00 C ATOM 0 H VAL A 6 3.185 3.072 -5.581 1.00 0.00 H new ATOM 0 HA VAL A 6 2.598 5.962 -5.673 1.00 0.00 H new ATOM 0 HB VAL A 6 1.096 3.865 -4.051 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.426 5.717 -3.487 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.232 6.023 -2.918 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.625 6.845 -4.376 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.824 4.379 -5.517 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.216 5.442 -6.494 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.540 3.694 -6.430 1.00 0.00 H new ATOM 108 N GLU A 7 3.888 6.356 -3.585 1.00 0.00 N ATOM 109 CA GLU A 7 4.765 6.607 -2.443 1.00 0.00 C ATOM 110 C GLU A 7 4.055 7.460 -1.394 1.00 0.00 C ATOM 111 O GLU A 7 3.877 8.665 -1.580 1.00 0.00 O ATOM 112 CB GLU A 7 6.054 7.302 -2.897 1.00 0.00 C ATOM 113 CG GLU A 7 6.648 6.733 -4.177 1.00 0.00 C ATOM 114 CD GLU A 7 7.912 7.455 -4.617 1.00 0.00 C ATOM 115 OE1 GLU A 7 7.965 8.696 -4.495 1.00 0.00 O ATOM 116 OE2 GLU A 7 8.848 6.775 -5.088 1.00 0.00 O ATOM 0 H GLU A 7 3.630 7.193 -4.107 1.00 0.00 H new ATOM 0 HA GLU A 7 5.021 5.646 -1.996 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.850 8.363 -3.044 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.795 7.227 -2.101 1.00 0.00 H new ATOM 0 HG2 GLU A 7 6.872 5.677 -4.029 1.00 0.00 H new ATOM 0 HG3 GLU A 7 5.906 6.793 -4.973 1.00 0.00 H new ATOM 123 N VAL A 8 3.653 6.831 -0.290 1.00 0.00 N ATOM 124 CA VAL A 8 2.964 7.532 0.787 1.00 0.00 C ATOM 125 C VAL A 8 3.962 8.153 1.764 1.00 0.00 C ATOM 126 O VAL A 8 5.090 7.682 1.899 1.00 0.00 O ATOM 127 CB VAL A 8 2.007 6.599 1.564 1.00 0.00 C ATOM 128 CG1 VAL A 8 1.013 7.414 2.379 1.00 0.00 C ATOM 129 CG2 VAL A 8 1.274 5.659 0.617 1.00 0.00 C ATOM 0 H VAL A 8 3.794 5.835 -0.120 1.00 0.00 H new ATOM 0 HA VAL A 8 2.375 8.320 0.318 1.00 0.00 H new ATOM 0 HB VAL A 8 2.604 5.995 2.247 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.347 6.741 2.919 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.552 8.040 3.090 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.427 8.046 1.712 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.607 5.013 1.189 1.00 0.00 H new ATOM 0 HG22 VAL A 8 0.691 6.242 -0.096 1.00 0.00 H new ATOM 0 HG23 VAL A 8 1.998 5.047 0.079 1.00 0.00 H new ATOM 139 N ALA A 9 3.525 9.213 2.436 1.00 0.00 N ATOM 140 CA ALA A 9 4.356 9.921 3.402 1.00 0.00 C ATOM 141 C ALA A 9 3.812 9.753 4.814 1.00 0.00 C ATOM 142 O ALA A 9 2.809 10.370 5.178 1.00 0.00 O ATOM 143 CB ALA A 9 4.435 11.396 3.041 1.00 0.00 C ATOM 0 H ALA A 9 2.589 9.604 2.327 1.00 0.00 H new ATOM 0 HA ALA A 9 5.358 9.493 3.371 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.058 11.916 3.769 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.870 11.505 2.048 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.434 11.826 3.048 1.00 0.00 H new ATOM 149 N ARG A 10 4.480 8.918 5.600 1.00 0.00 N ATOM 150 CA ARG A 10 4.081 8.661 6.984 1.00 0.00 C ATOM 151 C ARG A 10 3.825 9.974 7.726 1.00 0.00 C ATOM 152 O ARG A 10 4.755 10.738 7.991 1.00 0.00 O ATOM 153 CB ARG A 10 5.158 7.850 7.716 1.00 0.00 C ATOM 154 CG ARG A 10 4.599 6.883 8.746 1.00 0.00 C ATOM 155 CD ARG A 10 4.430 7.549 10.104 1.00 0.00 C ATOM 156 NE ARG A 10 5.705 7.698 10.807 1.00 0.00 N ATOM 157 CZ ARG A 10 5.906 8.544 11.820 1.00 0.00 C ATOM 158 NH1 ARG A 10 4.914 9.309 12.264 1.00 0.00 N ATOM 159 NH2 ARG A 10 7.102 8.625 12.393 1.00 0.00 N ATOM 0 H ARG A 10 5.308 8.402 5.302 1.00 0.00 H new ATOM 0 HA ARG A 10 3.157 8.083 6.965 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.740 7.291 6.983 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.844 8.537 8.211 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.636 6.502 8.404 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.265 6.026 8.841 1.00 0.00 H new ATOM 0 HD2 ARG A 10 3.973 8.530 9.972 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.747 6.958 10.714 1.00 0.00 H new ATOM 0 HE ARG A 10 6.489 7.120 10.504 1.00 0.00 H new ATOM 0 HH11 ARG A 10 3.993 9.252 11.830 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.074 9.953 13.038 1.00 0.00 H new ATOM 0 HH21 ARG A 10 7.868 8.040 12.059 1.00 0.00 H new ATOM 0 HH22 ARG A 10 7.254 9.272 13.167 1.00 0.00 H new ATOM 173 N GLY A 11 2.556 10.230 8.043 1.00 0.00 N ATOM 174 CA GLY A 11 2.188 11.451 8.738 1.00 0.00 C ATOM 175 C GLY A 11 2.581 11.431 10.204 1.00 0.00 C ATOM 176 O GLY A 11 3.768 11.476 10.535 1.00 0.00 O ATOM 0 H GLY A 11 1.775 9.610 7.829 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.665 12.300 8.250 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.111 11.600 8.657 1.00 0.00 H new ATOM 180 N ARG A 12 1.584 11.364 11.083 1.00 0.00 N ATOM 181 CA ARG A 12 1.833 11.340 12.527 1.00 0.00 C ATOM 182 C ARG A 12 1.311 10.055 13.168 1.00 0.00 C ATOM 183 O ARG A 12 1.964 9.488 14.042 1.00 0.00 O ATOM 184 CB ARG A 12 1.213 12.570 13.204 1.00 0.00 C ATOM 185 CG ARG A 12 -0.253 12.801 12.868 1.00 0.00 C ATOM 186 CD ARG A 12 -1.131 12.680 14.102 1.00 0.00 C ATOM 187 NE ARG A 12 -2.485 12.232 13.776 1.00 0.00 N ATOM 188 CZ ARG A 12 -3.473 12.132 14.670 1.00 0.00 C ATOM 189 NH1 ARG A 12 -3.265 12.450 15.945 1.00 0.00 N ATOM 190 NH2 ARG A 12 -4.671 11.710 14.286 1.00 0.00 N ATOM 0 H ARG A 12 0.598 11.325 10.824 1.00 0.00 H new ATOM 0 HA ARG A 12 2.913 11.367 12.674 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.313 12.464 14.284 1.00 0.00 H new ATOM 0 HB3 ARG A 12 1.783 13.454 12.916 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -0.375 13.791 12.428 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -0.574 12.078 12.119 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.677 11.978 14.801 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -1.181 13.645 14.606 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.687 11.981 12.808 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -2.346 12.773 16.247 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.025 12.371 16.621 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -4.836 11.463 13.310 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.427 11.633 14.967 1.00 0.00 H new ATOM 204 N ALA A 13 0.140 9.597 12.725 1.00 0.00 N ATOM 205 CA ALA A 13 -0.454 8.373 13.258 1.00 0.00 C ATOM 206 C ALA A 13 -0.627 7.313 12.167 1.00 0.00 C ATOM 207 O ALA A 13 -1.607 6.563 12.164 1.00 0.00 O ATOM 208 CB ALA A 13 -1.787 8.677 13.929 1.00 0.00 C ATOM 0 H ALA A 13 -0.414 10.054 12.001 1.00 0.00 H new ATOM 0 HA ALA A 13 0.229 7.968 14.005 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.216 7.755 14.321 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.631 9.380 14.747 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.470 9.114 13.200 1.00 0.00 H new ATOM 214 N GLY A 14 0.335 7.251 11.243 1.00 0.00 N ATOM 215 CA GLY A 14 0.272 6.279 10.164 1.00 0.00 C ATOM 216 C GLY A 14 0.538 6.899 8.808 1.00 0.00 C ATOM 217 O GLY A 14 1.533 7.603 8.629 1.00 0.00 O ATOM 0 H GLY A 14 1.155 7.857 11.225 1.00 0.00 H new ATOM 0 HA2 GLY A 14 1.000 5.489 10.348 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -0.712 5.810 10.159 1.00 0.00 H new ATOM 221 N TYR A 15 -0.353 6.636 7.851 1.00 0.00 N ATOM 222 CA TYR A 15 -0.212 7.170 6.499 1.00 0.00 C ATOM 223 C TYR A 15 -1.520 7.793 6.015 1.00 0.00 C ATOM 224 O TYR A 15 -1.627 9.015 5.893 1.00 0.00 O ATOM 225 CB TYR A 15 0.240 6.063 5.541 1.00 0.00 C ATOM 226 CG TYR A 15 1.612 5.509 5.857 1.00 0.00 C ATOM 227 CD1 TYR A 15 2.760 6.142 5.401 1.00 0.00 C ATOM 228 CD2 TYR A 15 1.759 4.351 6.614 1.00 0.00 C ATOM 229 CE1 TYR A 15 4.014 5.642 5.688 1.00 0.00 C ATOM 230 CE2 TYR A 15 3.012 3.845 6.906 1.00 0.00 C ATOM 231 CZ TYR A 15 4.136 4.495 6.440 1.00 0.00 C ATOM 232 OH TYR A 15 5.385 4.001 6.731 1.00 0.00 O ATOM 0 H TYR A 15 -1.180 6.056 7.989 1.00 0.00 H new ATOM 0 HA TYR A 15 0.546 7.953 6.518 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.486 5.250 5.570 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.241 6.453 4.523 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.670 7.042 4.811 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.881 3.839 6.979 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.896 6.148 5.324 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.110 2.946 7.496 1.00 0.00 H new ATOM 0 HH TYR A 15 5.395 3.032 6.588 1.00 0.00 H new ATOM 242 N GLY A 16 -2.509 6.947 5.741 1.00 0.00 N ATOM 243 CA GLY A 16 -3.803 7.429 5.272 1.00 0.00 C ATOM 244 C GLY A 16 -4.542 6.418 4.414 1.00 0.00 C ATOM 245 O GLY A 16 -5.158 6.781 3.411 1.00 0.00 O ATOM 0 H GLY A 16 -2.440 5.934 5.835 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.421 7.687 6.132 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.657 8.344 4.699 1.00 0.00 H new ATOM 249 N PHE A 17 -4.485 5.149 4.810 1.00 0.00 N ATOM 250 CA PHE A 17 -5.151 4.077 4.074 1.00 0.00 C ATOM 251 C PHE A 17 -5.381 2.863 4.977 1.00 0.00 C ATOM 252 O PHE A 17 -5.055 2.895 6.165 1.00 0.00 O ATOM 253 CB PHE A 17 -4.319 3.678 2.845 1.00 0.00 C ATOM 254 CG PHE A 17 -2.980 3.081 3.186 1.00 0.00 C ATOM 255 CD1 PHE A 17 -1.892 3.898 3.461 1.00 0.00 C ATOM 256 CD2 PHE A 17 -2.808 1.706 3.233 1.00 0.00 C ATOM 257 CE1 PHE A 17 -0.662 3.352 3.780 1.00 0.00 C ATOM 258 CE2 PHE A 17 -1.581 1.158 3.551 1.00 0.00 C ATOM 259 CZ PHE A 17 -0.505 1.981 3.822 1.00 0.00 C ATOM 0 H PHE A 17 -3.982 4.837 5.641 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.121 4.443 3.737 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.886 2.961 2.251 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.166 4.558 2.220 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.007 4.971 3.425 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.643 1.056 3.018 1.00 0.00 H new ATOM 0 HE1 PHE A 17 0.176 3.998 3.996 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.462 0.085 3.588 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.456 1.553 4.066 1.00 0.00 H new ATOM 269 N THR A 18 -5.943 1.794 4.408 1.00 0.00 N ATOM 270 CA THR A 18 -6.212 0.576 5.168 1.00 0.00 C ATOM 271 C THR A 18 -5.777 -0.669 4.390 1.00 0.00 C ATOM 272 O THR A 18 -5.652 -0.635 3.164 1.00 0.00 O ATOM 273 CB THR A 18 -7.701 0.485 5.523 1.00 0.00 C ATOM 274 OG1 THR A 18 -8.212 1.754 5.901 1.00 0.00 O ATOM 275 CG2 THR A 18 -7.988 -0.477 6.656 1.00 0.00 C ATOM 0 H THR A 18 -6.219 1.749 3.427 1.00 0.00 H new ATOM 0 HA THR A 18 -5.631 0.621 6.089 1.00 0.00 H new ATOM 0 HB THR A 18 -8.187 0.118 4.619 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.163 1.671 6.121 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.059 -0.494 6.857 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.655 -1.477 6.377 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.456 -0.154 7.551 1.00 0.00 H new ATOM 283 N LEU A 19 -5.544 -1.766 5.116 1.00 0.00 N ATOM 284 CA LEU A 19 -5.113 -3.023 4.506 1.00 0.00 C ATOM 285 C LEU A 19 -5.825 -4.217 5.148 1.00 0.00 C ATOM 286 O LEU A 19 -5.877 -4.326 6.374 1.00 0.00 O ATOM 287 CB LEU A 19 -3.596 -3.183 4.655 1.00 0.00 C ATOM 288 CG LEU A 19 -2.813 -3.284 3.343 1.00 0.00 C ATOM 289 CD1 LEU A 19 -1.319 -3.191 3.609 1.00 0.00 C ATOM 290 CD2 LEU A 19 -3.146 -4.580 2.619 1.00 0.00 C ATOM 0 H LEU A 19 -5.648 -1.807 6.130 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.374 -2.995 3.448 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.213 -2.335 5.223 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.399 -4.078 5.246 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.103 -2.450 2.704 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.776 -3.264 2.667 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.093 -2.237 4.085 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.015 -4.005 4.267 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.580 -4.633 1.689 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.885 -5.428 3.252 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.213 -4.609 2.396 1.00 0.00 H new ATOM 302 N SER A 20 -6.359 -5.114 4.315 1.00 0.00 N ATOM 303 CA SER A 20 -7.058 -6.303 4.810 1.00 0.00 C ATOM 304 C SER A 20 -6.843 -7.503 3.882 1.00 0.00 C ATOM 305 O SER A 20 -6.394 -7.347 2.743 1.00 0.00 O ATOM 306 CB SER A 20 -8.560 -6.020 4.956 1.00 0.00 C ATOM 307 OG SER A 20 -9.012 -5.108 3.969 1.00 0.00 O ATOM 0 H SER A 20 -6.321 -5.040 3.298 1.00 0.00 H new ATOM 0 HA SER A 20 -6.642 -6.548 5.787 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.117 -6.953 4.874 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.761 -5.615 5.948 1.00 0.00 H new ATOM 0 HG SER A 20 -9.989 -5.046 4.004 1.00 0.00 H new ATOM 313 N GLY A 21 -7.166 -8.699 4.379 1.00 0.00 N ATOM 314 CA GLY A 21 -7.005 -9.913 3.589 1.00 0.00 C ATOM 315 C GLY A 21 -6.102 -10.945 4.254 1.00 0.00 C ATOM 316 O GLY A 21 -6.192 -12.131 3.945 1.00 0.00 O ATOM 0 H GLY A 21 -7.537 -8.848 5.317 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.985 -10.357 3.412 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.593 -9.653 2.614 1.00 0.00 H new ATOM 320 N GLN A 22 -5.226 -10.482 5.161 1.00 0.00 N ATOM 321 CA GLN A 22 -4.281 -11.348 5.888 1.00 0.00 C ATOM 322 C GLN A 22 -3.169 -11.907 4.984 1.00 0.00 C ATOM 323 O GLN A 22 -2.322 -12.679 5.442 1.00 0.00 O ATOM 324 CB GLN A 22 -5.021 -12.489 6.609 1.00 0.00 C ATOM 325 CG GLN A 22 -5.180 -13.763 5.788 1.00 0.00 C ATOM 326 CD GLN A 22 -4.598 -14.980 6.481 1.00 0.00 C ATOM 327 OE1 GLN A 22 -5.327 -15.780 7.071 1.00 0.00 O ATOM 328 NE2 GLN A 22 -3.278 -15.130 6.415 1.00 0.00 N ATOM 0 H GLN A 22 -5.152 -9.496 5.412 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.795 -10.719 6.634 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -4.484 -12.729 7.527 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -6.010 -12.135 6.901 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -6.238 -13.934 5.590 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -4.692 -13.632 4.822 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.711 -14.444 5.916 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.833 -15.931 6.863 1.00 0.00 H new ATOM 337 N ALA A 23 -3.166 -11.510 3.709 1.00 0.00 N ATOM 338 CA ALA A 23 -2.160 -11.970 2.753 1.00 0.00 C ATOM 339 C ALA A 23 -2.227 -11.151 1.465 1.00 0.00 C ATOM 340 O ALA A 23 -1.264 -10.465 1.116 1.00 0.00 O ATOM 341 CB ALA A 23 -2.326 -13.458 2.461 1.00 0.00 C ATOM 0 H ALA A 23 -3.853 -10.868 3.315 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.176 -11.824 3.198 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.566 -13.776 1.747 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.215 -14.025 3.385 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.316 -13.638 2.041 1.00 0.00 H new ATOM 347 N PRO A 24 -3.372 -11.190 0.745 1.00 0.00 N ATOM 348 CA PRO A 24 -3.547 -10.421 -0.491 1.00 0.00 C ATOM 349 C PRO A 24 -3.638 -8.928 -0.196 1.00 0.00 C ATOM 350 O PRO A 24 -4.732 -8.364 -0.105 1.00 0.00 O ATOM 351 CB PRO A 24 -4.866 -10.953 -1.060 1.00 0.00 C ATOM 352 CG PRO A 24 -5.620 -11.433 0.129 1.00 0.00 C ATOM 353 CD PRO A 24 -4.586 -11.964 1.084 1.00 0.00 C ATOM 0 HA PRO A 24 -2.713 -10.533 -1.183 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.414 -10.172 -1.588 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.694 -11.760 -1.773 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.192 -10.623 0.582 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.332 -12.210 -0.148 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -4.882 -11.811 2.122 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -4.429 -13.035 0.951 1.00 0.00 H new ATOM 361 N CYS A 25 -2.476 -8.304 -0.018 1.00 0.00 N ATOM 362 CA CYS A 25 -2.399 -6.879 0.297 1.00 0.00 C ATOM 363 C CYS A 25 -3.238 -6.056 -0.676 1.00 0.00 C ATOM 364 O CYS A 25 -2.891 -5.922 -1.849 1.00 0.00 O ATOM 365 CB CYS A 25 -0.944 -6.405 0.276 1.00 0.00 C ATOM 366 SG CYS A 25 0.148 -7.319 1.390 1.00 0.00 S ATOM 0 H CYS A 25 -1.569 -8.766 -0.087 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.802 -6.733 1.299 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.561 -6.489 -0.741 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.914 -5.348 0.541 1.00 0.00 H new ATOM 0 HG CYS A 25 -0.195 -8.573 1.402 1.00 0.00 H new ATOM 372 N VAL A 26 -4.346 -5.512 -0.180 1.00 0.00 N ATOM 373 CA VAL A 26 -5.239 -4.705 -1.004 1.00 0.00 C ATOM 374 C VAL A 26 -5.728 -3.477 -0.240 1.00 0.00 C ATOM 375 O VAL A 26 -6.010 -3.551 0.958 1.00 0.00 O ATOM 376 CB VAL A 26 -6.456 -5.522 -1.490 1.00 0.00 C ATOM 377 CG1 VAL A 26 -7.266 -6.048 -0.311 1.00 0.00 C ATOM 378 CG2 VAL A 26 -7.330 -4.695 -2.421 1.00 0.00 C ATOM 0 H VAL A 26 -4.646 -5.616 0.789 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.665 -4.383 -1.873 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.082 -6.378 -2.051 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.117 -6.620 -0.681 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.637 -6.691 0.305 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.624 -5.210 0.287 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.180 -5.293 -2.749 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.690 -3.812 -1.893 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.747 -4.386 -3.289 1.00 0.00 H new ATOM 388 N LEU A 27 -5.831 -2.356 -0.945 1.00 0.00 N ATOM 389 CA LEU A 27 -6.295 -1.110 -0.341 1.00 0.00 C ATOM 390 C LEU A 27 -7.807 -1.153 -0.127 1.00 0.00 C ATOM 391 O LEU A 27 -8.577 -0.773 -1.010 1.00 0.00 O ATOM 392 CB LEU A 27 -5.928 0.089 -1.224 1.00 0.00 C ATOM 393 CG LEU A 27 -4.671 0.853 -0.798 1.00 0.00 C ATOM 394 CD1 LEU A 27 -3.480 0.432 -1.646 1.00 0.00 C ATOM 395 CD2 LEU A 27 -4.901 2.355 -0.906 1.00 0.00 C ATOM 0 H LEU A 27 -5.600 -2.283 -1.936 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.803 -0.997 0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.791 -0.262 -2.247 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.769 0.782 -1.235 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.454 0.611 0.243 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.595 0.984 -1.330 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.304 -0.637 -1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.686 0.646 -2.695 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.999 2.884 -0.600 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.141 2.613 -1.938 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.729 2.644 -0.258 1.00 0.00 H new ATOM 407 N SER A 28 -8.227 -1.621 1.048 1.00 0.00 N ATOM 408 CA SER A 28 -9.651 -1.711 1.371 1.00 0.00 C ATOM 409 C SER A 28 -10.322 -0.341 1.295 1.00 0.00 C ATOM 410 O SER A 28 -11.462 -0.227 0.840 1.00 0.00 O ATOM 411 CB SER A 28 -9.855 -2.319 2.762 1.00 0.00 C ATOM 412 OG SER A 28 -8.797 -1.969 3.639 1.00 0.00 O ATOM 0 H SER A 28 -7.605 -1.943 1.789 1.00 0.00 H new ATOM 0 HA SER A 28 -10.116 -2.363 0.631 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.802 -1.974 3.176 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.919 -3.404 2.681 1.00 0.00 H new ATOM 0 HG SER A 28 -8.955 -2.370 4.519 1.00 0.00 H new ATOM 418 N CYS A 29 -9.609 0.696 1.737 1.00 0.00 N ATOM 419 CA CYS A 29 -10.134 2.060 1.712 1.00 0.00 C ATOM 420 C CYS A 29 -9.038 3.085 1.993 1.00 0.00 C ATOM 421 O CYS A 29 -8.036 2.777 2.645 1.00 0.00 O ATOM 422 CB CYS A 29 -11.266 2.216 2.729 1.00 0.00 C ATOM 423 SG CYS A 29 -12.341 3.639 2.425 1.00 0.00 S ATOM 0 H CYS A 29 -8.666 0.616 2.117 1.00 0.00 H new ATOM 0 HA CYS A 29 -10.524 2.245 0.711 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -11.871 1.310 2.725 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -10.835 2.307 3.726 1.00 0.00 H new ATOM 0 HG CYS A 29 -13.268 3.685 3.335 1.00 0.00 H new ATOM 429 N VAL A 30 -9.243 4.308 1.505 1.00 0.00 N ATOM 430 CA VAL A 30 -8.286 5.397 1.701 1.00 0.00 C ATOM 431 C VAL A 30 -8.955 6.579 2.406 1.00 0.00 C ATOM 432 O VAL A 30 -10.171 6.760 2.306 1.00 0.00 O ATOM 433 CB VAL A 30 -7.683 5.882 0.359 1.00 0.00 C ATOM 434 CG1 VAL A 30 -6.421 6.697 0.598 1.00 0.00 C ATOM 435 CG2 VAL A 30 -7.391 4.704 -0.562 1.00 0.00 C ATOM 0 H VAL A 30 -10.069 4.571 0.967 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.480 5.005 2.321 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.418 6.522 -0.128 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.015 7.027 -0.358 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.660 7.566 1.210 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.683 6.082 1.113 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.968 5.070 -1.498 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.680 4.033 -0.080 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.316 4.165 -0.768 1.00 0.00 H new ATOM 445 N MET A 31 -8.157 7.379 3.111 1.00 0.00 N ATOM 446 CA MET A 31 -8.676 8.539 3.825 1.00 0.00 C ATOM 447 C MET A 31 -8.406 9.814 3.039 1.00 0.00 C ATOM 448 O MET A 31 -7.294 10.346 3.055 1.00 0.00 O ATOM 449 CB MET A 31 -8.060 8.654 5.221 1.00 0.00 C ATOM 450 CG MET A 31 -7.996 7.339 5.985 1.00 0.00 C ATOM 451 SD MET A 31 -8.121 7.564 7.772 1.00 0.00 S ATOM 452 CE MET A 31 -6.768 8.701 8.077 1.00 0.00 C ATOM 0 H MET A 31 -7.150 7.244 3.202 1.00 0.00 H new ATOM 0 HA MET A 31 -9.752 8.404 3.933 1.00 0.00 H new ATOM 0 HB2 MET A 31 -7.051 9.057 5.129 1.00 0.00 H new ATOM 0 HB3 MET A 31 -8.638 9.372 5.803 1.00 0.00 H new ATOM 0 HG2 MET A 31 -8.803 6.688 5.648 1.00 0.00 H new ATOM 0 HG3 MET A 31 -7.059 6.833 5.751 1.00 0.00 H new ATOM 0 HE1 MET A 31 -6.698 8.905 9.145 1.00 0.00 H new ATOM 0 HE2 MET A 31 -5.835 8.257 7.730 1.00 0.00 H new ATOM 0 HE3 MET A 31 -6.948 9.633 7.541 1.00 0.00 H new ATOM 462 N ARG A 32 -9.436 10.287 2.352 1.00 0.00 N ATOM 463 CA ARG A 32 -9.347 11.500 1.544 1.00 0.00 C ATOM 464 C ARG A 32 -8.768 12.653 2.361 1.00 0.00 C ATOM 465 O ARG A 32 -9.260 12.971 3.445 1.00 0.00 O ATOM 466 CB ARG A 32 -10.726 11.886 1.000 1.00 0.00 C ATOM 467 CG ARG A 32 -11.035 11.279 -0.360 1.00 0.00 C ATOM 468 CD ARG A 32 -12.073 12.096 -1.120 1.00 0.00 C ATOM 469 NE ARG A 32 -12.964 11.248 -1.916 1.00 0.00 N ATOM 470 CZ ARG A 32 -13.728 11.691 -2.920 1.00 0.00 C ATOM 471 NH1 ARG A 32 -13.716 12.975 -3.263 1.00 0.00 N ATOM 472 NH2 ARG A 32 -14.506 10.843 -3.585 1.00 0.00 N ATOM 0 H ARG A 32 -10.355 9.844 2.337 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.681 11.298 0.705 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -11.489 11.571 1.711 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -10.788 12.972 0.927 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.119 11.218 -0.948 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.399 10.260 -0.229 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -12.663 12.679 -0.413 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -11.567 12.806 -1.775 1.00 0.00 H new ATOM 0 HE ARG A 32 -13.004 10.254 -1.689 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -13.120 13.632 -2.759 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -14.302 13.303 -4.030 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -14.520 9.856 -3.329 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -15.089 11.180 -4.351 1.00 0.00 H new ATOM 486 N GLY A 33 -7.708 13.260 1.837 1.00 0.00 N ATOM 487 CA GLY A 33 -7.056 14.361 2.527 1.00 0.00 C ATOM 488 C GLY A 33 -5.851 13.905 3.333 1.00 0.00 C ATOM 489 O GLY A 33 -5.484 14.541 4.323 1.00 0.00 O ATOM 0 H GLY A 33 -7.286 13.008 0.943 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.741 15.108 1.798 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.772 14.846 3.191 1.00 0.00 H new ATOM 493 N SER A 34 -5.237 12.802 2.907 1.00 0.00 N ATOM 494 CA SER A 34 -4.067 12.256 3.585 1.00 0.00 C ATOM 495 C SER A 34 -2.956 11.959 2.577 1.00 0.00 C ATOM 496 O SER A 34 -3.213 11.880 1.375 1.00 0.00 O ATOM 497 CB SER A 34 -4.447 10.979 4.343 1.00 0.00 C ATOM 498 OG SER A 34 -5.292 11.268 5.445 1.00 0.00 O ATOM 0 H SER A 34 -5.534 12.268 2.090 1.00 0.00 H new ATOM 0 HA SER A 34 -3.701 12.995 4.298 1.00 0.00 H new ATOM 0 HB2 SER A 34 -4.950 10.288 3.667 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.544 10.480 4.695 1.00 0.00 H new ATOM 0 HG SER A 34 -5.520 10.436 5.909 1.00 0.00 H new ATOM 504 N PRO A 35 -1.705 11.790 3.053 1.00 0.00 N ATOM 505 CA PRO A 35 -0.549 11.502 2.192 1.00 0.00 C ATOM 506 C PRO A 35 -0.819 10.401 1.165 1.00 0.00 C ATOM 507 O PRO A 35 -0.268 10.427 0.064 1.00 0.00 O ATOM 508 CB PRO A 35 0.522 11.053 3.184 1.00 0.00 C ATOM 509 CG PRO A 35 0.186 11.776 4.441 1.00 0.00 C ATOM 510 CD PRO A 35 -1.316 11.871 4.478 1.00 0.00 C ATOM 0 HA PRO A 35 -0.271 12.370 1.594 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.502 9.973 3.329 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.522 11.309 2.833 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.564 11.241 5.312 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.640 12.767 4.454 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -1.755 11.061 5.060 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.648 12.805 4.932 1.00 0.00 H new ATOM 518 N ALA A 36 -1.670 9.441 1.529 1.00 0.00 N ATOM 519 CA ALA A 36 -2.015 8.341 0.632 1.00 0.00 C ATOM 520 C ALA A 36 -2.807 8.846 -0.573 1.00 0.00 C ATOM 521 O ALA A 36 -2.473 8.543 -1.720 1.00 0.00 O ATOM 522 CB ALA A 36 -2.809 7.273 1.375 1.00 0.00 C ATOM 0 H ALA A 36 -2.132 9.404 2.438 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.087 7.898 0.270 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.057 6.462 0.690 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.212 6.883 2.199 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.727 7.710 1.768 1.00 0.00 H new ATOM 528 N ASP A 37 -3.850 9.627 -0.298 1.00 0.00 N ATOM 529 CA ASP A 37 -4.699 10.190 -1.350 1.00 0.00 C ATOM 530 C ASP A 37 -3.958 11.273 -2.136 1.00 0.00 C ATOM 531 O ASP A 37 -4.214 11.465 -3.325 1.00 0.00 O ATOM 532 CB ASP A 37 -5.983 10.769 -0.746 1.00 0.00 C ATOM 533 CG ASP A 37 -7.139 10.777 -1.732 1.00 0.00 C ATOM 534 OD1 ASP A 37 -7.368 9.744 -2.395 1.00 0.00 O ATOM 535 OD2 ASP A 37 -7.819 11.822 -1.836 1.00 0.00 O ATOM 0 H ASP A 37 -4.129 9.886 0.648 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.959 9.385 -2.037 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.263 10.186 0.132 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -5.793 11.787 -0.405 1.00 0.00 H new ATOM 540 N PHE A 38 -3.042 11.977 -1.466 1.00 0.00 N ATOM 541 CA PHE A 38 -2.263 13.040 -2.105 1.00 0.00 C ATOM 542 C PHE A 38 -1.445 12.510 -3.290 1.00 0.00 C ATOM 543 O PHE A 38 -1.086 13.271 -4.188 1.00 0.00 O ATOM 544 CB PHE A 38 -1.324 13.707 -1.092 1.00 0.00 C ATOM 545 CG PHE A 38 -2.028 14.391 0.054 1.00 0.00 C ATOM 546 CD1 PHE A 38 -3.358 14.780 -0.049 1.00 0.00 C ATOM 547 CD2 PHE A 38 -1.354 14.644 1.237 1.00 0.00 C ATOM 548 CE1 PHE A 38 -3.997 15.406 1.007 1.00 0.00 C ATOM 549 CE2 PHE A 38 -1.988 15.268 2.296 1.00 0.00 C ATOM 550 CZ PHE A 38 -3.308 15.650 2.179 1.00 0.00 C ATOM 0 H PHE A 38 -2.822 11.830 -0.481 1.00 0.00 H new ATOM 0 HA PHE A 38 -2.973 13.777 -2.481 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.649 12.952 -0.689 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -0.708 14.440 -1.613 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.900 14.592 -0.964 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.319 14.350 1.334 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.031 15.703 0.915 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.450 15.456 3.213 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.803 16.140 3.004 1.00 0.00 H new ATOM 560 N VAL A 39 -1.151 11.206 -3.286 1.00 0.00 N ATOM 561 CA VAL A 39 -0.377 10.589 -4.362 1.00 0.00 C ATOM 562 C VAL A 39 -1.290 10.096 -5.489 1.00 0.00 C ATOM 563 O VAL A 39 -0.904 10.104 -6.659 1.00 0.00 O ATOM 564 CB VAL A 39 0.467 9.404 -3.845 1.00 0.00 C ATOM 565 CG1 VAL A 39 1.423 8.916 -4.923 1.00 0.00 C ATOM 566 CG2 VAL A 39 1.229 9.787 -2.581 1.00 0.00 C ATOM 0 H VAL A 39 -1.438 10.560 -2.550 1.00 0.00 H new ATOM 0 HA VAL A 39 0.291 11.359 -4.749 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.212 8.589 -3.594 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.009 8.081 -4.539 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.854 8.590 -5.794 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.092 9.727 -5.210 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.815 8.935 -2.237 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.895 10.623 -2.797 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.522 10.078 -1.804 1.00 0.00 H new ATOM 576 N GLY A 40 -2.501 9.669 -5.128 1.00 0.00 N ATOM 577 CA GLY A 40 -3.449 9.184 -6.118 1.00 0.00 C ATOM 578 C GLY A 40 -3.786 7.716 -5.938 1.00 0.00 C ATOM 579 O GLY A 40 -3.585 6.914 -6.849 1.00 0.00 O ATOM 0 H GLY A 40 -2.841 9.651 -4.167 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.364 9.773 -6.057 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.037 9.338 -7.115 1.00 0.00 H new ATOM 583 N LEU A 41 -4.308 7.370 -4.762 1.00 0.00 N ATOM 584 CA LEU A 41 -4.683 5.988 -4.467 1.00 0.00 C ATOM 585 C LEU A 41 -6.178 5.776 -4.700 1.00 0.00 C ATOM 586 O LEU A 41 -6.906 6.717 -5.025 1.00 0.00 O ATOM 587 CB LEU A 41 -4.315 5.631 -3.022 1.00 0.00 C ATOM 588 CG LEU A 41 -2.871 5.160 -2.815 1.00 0.00 C ATOM 589 CD1 LEU A 41 -2.564 5.013 -1.333 1.00 0.00 C ATOM 590 CD2 LEU A 41 -2.624 3.847 -3.546 1.00 0.00 C ATOM 0 H LEU A 41 -4.480 8.026 -4.000 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.131 5.332 -5.140 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.489 6.504 -2.393 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.989 4.848 -2.675 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.202 5.914 -3.231 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.535 4.678 -1.206 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.696 5.974 -0.837 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.241 4.281 -0.892 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.593 3.530 -3.386 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.302 3.084 -3.163 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.800 3.986 -4.613 1.00 0.00 H new ATOM 602 N ARG A 42 -6.633 4.531 -4.536 1.00 0.00 N ATOM 603 CA ARG A 42 -8.038 4.189 -4.726 1.00 0.00 C ATOM 604 C ARG A 42 -8.321 2.758 -4.274 1.00 0.00 C ATOM 605 O ARG A 42 -7.585 1.830 -4.613 1.00 0.00 O ATOM 606 CB ARG A 42 -8.442 4.351 -6.198 1.00 0.00 C ATOM 607 CG ARG A 42 -7.587 3.547 -7.170 1.00 0.00 C ATOM 608 CD ARG A 42 -8.359 2.371 -7.753 1.00 0.00 C ATOM 609 NE ARG A 42 -8.437 2.426 -9.214 1.00 0.00 N ATOM 610 CZ ARG A 42 -9.000 1.482 -9.973 1.00 0.00 C ATOM 611 NH1 ARG A 42 -9.525 0.390 -9.417 1.00 0.00 N ATOM 612 NH2 ARG A 42 -9.037 1.624 -11.293 1.00 0.00 N ATOM 0 H ARG A 42 -6.043 3.743 -4.271 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.628 4.873 -4.116 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.483 4.051 -6.313 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.383 5.406 -6.466 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -7.245 4.195 -7.977 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.698 3.181 -6.657 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.879 1.440 -7.452 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.367 2.359 -7.338 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.035 3.238 -9.683 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.499 0.270 -8.404 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.953 -0.326 -10.004 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.635 2.454 -11.728 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.467 0.903 -11.872 1.00 0.00 H new ATOM 626 N ALA A 43 -9.396 2.595 -3.511 1.00 0.00 N ATOM 627 CA ALA A 43 -9.798 1.285 -3.006 1.00 0.00 C ATOM 628 C ALA A 43 -10.056 0.314 -4.155 1.00 0.00 C ATOM 629 O ALA A 43 -10.836 0.608 -5.062 1.00 0.00 O ATOM 630 CB ALA A 43 -11.041 1.406 -2.133 1.00 0.00 C ATOM 0 H ALA A 43 -10.009 3.359 -3.226 1.00 0.00 H new ATOM 0 HA ALA A 43 -8.981 0.893 -2.401 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -11.325 0.420 -1.766 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.830 2.061 -1.288 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.859 1.824 -2.720 1.00 0.00 H new ATOM 636 N GLY A 44 -9.387 -0.833 -4.113 1.00 0.00 N ATOM 637 CA GLY A 44 -9.543 -1.828 -5.161 1.00 0.00 C ATOM 638 C GLY A 44 -8.214 -2.242 -5.768 1.00 0.00 C ATOM 639 O GLY A 44 -8.057 -3.382 -6.210 1.00 0.00 O ATOM 0 H GLY A 44 -8.738 -1.093 -3.371 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.042 -2.707 -4.753 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.188 -1.429 -5.944 1.00 0.00 H new ATOM 643 N ASP A 45 -7.252 -1.315 -5.787 1.00 0.00 N ATOM 644 CA ASP A 45 -5.927 -1.588 -6.340 1.00 0.00 C ATOM 645 C ASP A 45 -5.227 -2.693 -5.548 1.00 0.00 C ATOM 646 O ASP A 45 -5.021 -2.570 -4.339 1.00 0.00 O ATOM 647 CB ASP A 45 -5.074 -0.311 -6.337 1.00 0.00 C ATOM 648 CG ASP A 45 -5.184 0.483 -7.631 1.00 0.00 C ATOM 649 OD1 ASP A 45 -6.045 0.149 -8.474 1.00 0.00 O ATOM 650 OD2 ASP A 45 -4.404 1.442 -7.802 1.00 0.00 O ATOM 0 H ASP A 45 -7.369 -0.369 -5.425 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.049 -1.927 -7.369 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.379 0.321 -5.503 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.031 -0.578 -6.169 1.00 0.00 H new ATOM 655 N GLN A 46 -4.869 -3.774 -6.241 1.00 0.00 N ATOM 656 CA GLN A 46 -4.198 -4.908 -5.610 1.00 0.00 C ATOM 657 C GLN A 46 -2.716 -4.607 -5.380 1.00 0.00 C ATOM 658 O GLN A 46 -1.967 -4.383 -6.332 1.00 0.00 O ATOM 659 CB GLN A 46 -4.353 -6.160 -6.483 1.00 0.00 C ATOM 660 CG GLN A 46 -3.836 -7.432 -5.827 1.00 0.00 C ATOM 661 CD GLN A 46 -4.913 -8.191 -5.072 1.00 0.00 C ATOM 662 OE1 GLN A 46 -6.108 -7.956 -5.258 1.00 0.00 O ATOM 663 NE2 GLN A 46 -4.492 -9.112 -4.213 1.00 0.00 N ATOM 0 H GLN A 46 -5.033 -3.887 -7.241 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.664 -5.087 -4.641 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -5.406 -6.292 -6.730 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -3.822 -6.005 -7.422 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -3.410 -8.081 -6.592 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -3.029 -7.178 -5.140 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -3.493 -9.275 -4.089 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -5.168 -9.656 -3.677 1.00 0.00 H new ATOM 672 N ILE A 47 -2.301 -4.606 -4.112 1.00 0.00 N ATOM 673 CA ILE A 47 -0.909 -4.337 -3.756 1.00 0.00 C ATOM 674 C ILE A 47 -0.045 -5.577 -3.970 1.00 0.00 C ATOM 675 O ILE A 47 -0.316 -6.639 -3.404 1.00 0.00 O ATOM 676 CB ILE A 47 -0.767 -3.877 -2.285 1.00 0.00 C ATOM 677 CG1 ILE A 47 -1.816 -2.809 -1.942 1.00 0.00 C ATOM 678 CG2 ILE A 47 0.635 -3.347 -2.026 1.00 0.00 C ATOM 679 CD1 ILE A 47 -1.903 -2.503 -0.462 1.00 0.00 C ATOM 0 H ILE A 47 -2.910 -4.789 -3.315 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.570 -3.532 -4.408 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.937 -4.740 -1.641 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.579 -1.892 -2.481 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.792 -3.143 -2.294 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.717 -3.028 -0.987 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.363 -4.134 -2.223 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.830 -2.499 -2.682 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.663 -1.741 -0.292 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.170 -3.409 0.082 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.938 -2.139 -0.109 1.00 0.00 H new ATOM 691 N LEU A 48 0.993 -5.439 -4.790 1.00 0.00 N ATOM 692 CA LEU A 48 1.894 -6.550 -5.081 1.00 0.00 C ATOM 693 C LEU A 48 3.247 -6.375 -4.387 1.00 0.00 C ATOM 694 O LEU A 48 3.804 -7.336 -3.858 1.00 0.00 O ATOM 695 CB LEU A 48 2.087 -6.694 -6.594 1.00 0.00 C ATOM 696 CG LEU A 48 0.837 -7.133 -7.365 1.00 0.00 C ATOM 697 CD1 LEU A 48 0.147 -5.933 -7.999 1.00 0.00 C ATOM 698 CD2 LEU A 48 1.199 -8.163 -8.426 1.00 0.00 C ATOM 0 H LEU A 48 1.231 -4.568 -5.265 1.00 0.00 H new ATOM 0 HA LEU A 48 1.437 -7.460 -4.691 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.427 -5.739 -6.995 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.882 -7.417 -6.777 1.00 0.00 H new ATOM 0 HG LEU A 48 0.144 -7.593 -6.660 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.738 -6.267 -8.541 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.148 -5.230 -7.220 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.833 -5.442 -8.690 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.300 -8.463 -8.963 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.912 -7.729 -9.126 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.645 -9.036 -7.949 1.00 0.00 H new ATOM 710 N ALA A 49 3.769 -5.146 -4.395 1.00 0.00 N ATOM 711 CA ALA A 49 5.058 -4.850 -3.768 1.00 0.00 C ATOM 712 C ALA A 49 4.890 -3.920 -2.563 1.00 0.00 C ATOM 713 O ALA A 49 3.955 -3.122 -2.507 1.00 0.00 O ATOM 714 CB ALA A 49 6.008 -4.229 -4.784 1.00 0.00 C ATOM 0 H ALA A 49 3.318 -4.340 -4.829 1.00 0.00 H new ATOM 0 HA ALA A 49 5.482 -5.789 -3.412 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.963 -4.014 -4.305 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.164 -4.925 -5.608 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.577 -3.304 -5.167 1.00 0.00 H new ATOM 720 N VAL A 50 5.815 -4.032 -1.608 1.00 0.00 N ATOM 721 CA VAL A 50 5.804 -3.208 -0.398 1.00 0.00 C ATOM 722 C VAL A 50 7.227 -2.976 0.099 1.00 0.00 C ATOM 723 O VAL A 50 7.839 -3.868 0.683 1.00 0.00 O ATOM 724 CB VAL A 50 4.978 -3.852 0.740 1.00 0.00 C ATOM 725 CG1 VAL A 50 3.491 -3.628 0.521 1.00 0.00 C ATOM 726 CG2 VAL A 50 5.296 -5.336 0.865 1.00 0.00 C ATOM 0 H VAL A 50 6.590 -4.694 -1.651 1.00 0.00 H new ATOM 0 HA VAL A 50 5.338 -2.260 -0.667 1.00 0.00 H new ATOM 0 HB VAL A 50 5.255 -3.369 1.677 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.930 -4.090 1.334 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.284 -2.558 0.499 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.191 -4.075 -0.427 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.704 -5.768 1.671 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.056 -5.840 -0.071 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.356 -5.464 1.085 1.00 0.00 H new ATOM 736 N ASN A 51 7.758 -1.782 -0.164 1.00 0.00 N ATOM 737 CA ASN A 51 9.121 -1.438 0.229 1.00 0.00 C ATOM 738 C ASN A 51 10.106 -2.124 -0.715 1.00 0.00 C ATOM 739 O ASN A 51 11.152 -2.620 -0.297 1.00 0.00 O ATOM 740 CB ASN A 51 9.386 -1.837 1.690 1.00 0.00 C ATOM 741 CG ASN A 51 10.236 -0.817 2.432 1.00 0.00 C ATOM 742 OD1 ASN A 51 10.855 0.056 1.825 1.00 0.00 O ATOM 743 ND2 ASN A 51 10.268 -0.923 3.757 1.00 0.00 N ATOM 0 H ASN A 51 7.261 -1.035 -0.650 1.00 0.00 H new ATOM 0 HA ASN A 51 9.254 -0.359 0.157 1.00 0.00 H new ATOM 0 HB2 ASN A 51 8.434 -1.957 2.208 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.885 -2.806 1.713 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.820 -0.266 4.308 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.740 -1.661 4.222 1.00 0.00 H new ATOM 750 N GLU A 52 9.736 -2.142 -2.000 1.00 0.00 N ATOM 751 CA GLU A 52 10.533 -2.750 -3.067 1.00 0.00 C ATOM 752 C GLU A 52 10.475 -4.289 -3.050 1.00 0.00 C ATOM 753 O GLU A 52 11.072 -4.940 -3.909 1.00 0.00 O ATOM 754 CB GLU A 52 11.989 -2.245 -3.022 1.00 0.00 C ATOM 755 CG GLU A 52 12.989 -3.199 -2.374 1.00 0.00 C ATOM 756 CD GLU A 52 14.368 -3.102 -2.999 1.00 0.00 C ATOM 757 OE1 GLU A 52 14.575 -3.697 -4.078 1.00 0.00 O ATOM 758 OE2 GLU A 52 15.240 -2.426 -2.412 1.00 0.00 O ATOM 0 H GLU A 52 8.864 -1.729 -2.331 1.00 0.00 H new ATOM 0 HA GLU A 52 10.088 -2.435 -4.011 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.316 -2.038 -4.041 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.012 -1.299 -2.482 1.00 0.00 H new ATOM 0 HG2 GLU A 52 13.059 -2.979 -1.309 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.623 -4.222 -2.465 1.00 0.00 H new ATOM 765 N ILE A 53 9.753 -4.873 -2.085 1.00 0.00 N ATOM 766 CA ILE A 53 9.640 -6.330 -1.992 1.00 0.00 C ATOM 767 C ILE A 53 8.193 -6.801 -2.176 1.00 0.00 C ATOM 768 O ILE A 53 7.269 -6.257 -1.569 1.00 0.00 O ATOM 769 CB ILE A 53 10.184 -6.858 -0.646 1.00 0.00 C ATOM 770 CG1 ILE A 53 9.542 -6.117 0.531 1.00 0.00 C ATOM 771 CG2 ILE A 53 11.699 -6.718 -0.598 1.00 0.00 C ATOM 772 CD1 ILE A 53 9.787 -6.779 1.870 1.00 0.00 C ATOM 0 H ILE A 53 9.243 -4.362 -1.364 1.00 0.00 H new ATOM 0 HA ILE A 53 10.246 -6.737 -2.802 1.00 0.00 H new ATOM 0 HB ILE A 53 9.926 -7.914 -0.564 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.929 -5.098 0.563 1.00 0.00 H new ATOM 0 HG13 ILE A 53 8.468 -6.045 0.362 1.00 0.00 H new ATOM 0 HG21 ILE A 53 12.069 -7.094 0.356 1.00 0.00 H new ATOM 0 HG22 ILE A 53 12.143 -7.292 -1.411 1.00 0.00 H new ATOM 0 HG23 ILE A 53 11.971 -5.668 -0.704 1.00 0.00 H new ATOM 0 HD11 ILE A 53 9.303 -6.199 2.656 1.00 0.00 H new ATOM 0 HD12 ILE A 53 9.375 -7.788 1.858 1.00 0.00 H new ATOM 0 HD13 ILE A 53 10.859 -6.827 2.062 1.00 0.00 H new ATOM 784 N ASN A 54 8.010 -7.810 -3.030 1.00 0.00 N ATOM 785 CA ASN A 54 6.692 -8.365 -3.322 1.00 0.00 C ATOM 786 C ASN A 54 6.084 -9.072 -2.111 1.00 0.00 C ATOM 787 O ASN A 54 6.795 -9.545 -1.223 1.00 0.00 O ATOM 788 CB ASN A 54 6.775 -9.338 -4.504 1.00 0.00 C ATOM 789 CG ASN A 54 7.722 -10.500 -4.247 1.00 0.00 C ATOM 790 OD1 ASN A 54 8.930 -10.386 -4.453 1.00 0.00 O ATOM 791 ND2 ASN A 54 7.180 -11.627 -3.795 1.00 0.00 N ATOM 0 H ASN A 54 8.771 -8.263 -3.536 1.00 0.00 H new ATOM 0 HA ASN A 54 6.041 -7.530 -3.580 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.780 -9.727 -4.719 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.104 -8.797 -5.391 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.770 -12.437 -3.606 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.174 -11.681 -3.637 1.00 0.00 H new ATOM 798 N VAL A 55 4.754 -9.135 -2.098 1.00 0.00 N ATOM 799 CA VAL A 55 4.008 -9.774 -1.011 1.00 0.00 C ATOM 800 C VAL A 55 2.690 -10.376 -1.518 1.00 0.00 C ATOM 801 O VAL A 55 1.602 -9.959 -1.109 1.00 0.00 O ATOM 802 CB VAL A 55 3.706 -8.769 0.122 1.00 0.00 C ATOM 803 CG1 VAL A 55 4.967 -8.448 0.913 1.00 0.00 C ATOM 804 CG2 VAL A 55 3.087 -7.501 -0.447 1.00 0.00 C ATOM 0 H VAL A 55 4.164 -8.748 -2.835 1.00 0.00 H new ATOM 0 HA VAL A 55 4.636 -10.575 -0.621 1.00 0.00 H new ATOM 0 HB VAL A 55 2.990 -9.226 0.805 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.729 -7.738 1.705 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.363 -9.363 1.353 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.713 -8.012 0.248 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.880 -6.802 0.363 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.780 -7.043 -1.153 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.157 -7.748 -0.960 1.00 0.00 H new ATOM 814 N LYS A 56 2.797 -11.356 -2.417 1.00 0.00 N ATOM 815 CA LYS A 56 1.622 -12.018 -2.993 1.00 0.00 C ATOM 816 C LYS A 56 0.713 -12.598 -1.909 1.00 0.00 C ATOM 817 O LYS A 56 -0.328 -12.021 -1.591 1.00 0.00 O ATOM 818 CB LYS A 56 2.053 -13.120 -3.970 1.00 0.00 C ATOM 819 CG LYS A 56 2.550 -12.595 -5.309 1.00 0.00 C ATOM 820 CD LYS A 56 3.795 -13.339 -5.771 1.00 0.00 C ATOM 821 CE LYS A 56 3.504 -14.240 -6.964 1.00 0.00 C ATOM 822 NZ LYS A 56 3.350 -13.467 -8.229 1.00 0.00 N ATOM 0 H LYS A 56 3.688 -11.711 -2.764 1.00 0.00 H new ATOM 0 HA LYS A 56 1.053 -11.264 -3.536 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.842 -13.714 -3.508 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.210 -13.789 -4.143 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.764 -12.699 -6.057 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.771 -11.531 -5.225 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.570 -12.620 -6.038 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.186 -13.939 -4.949 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.313 -14.962 -7.078 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.593 -14.808 -6.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 3.153 -14.121 -9.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.562 -12.796 -8.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 4.228 -12.945 -8.426 1.00 0.00 H new ATOM 836 N LYS A 57 1.111 -13.736 -1.346 1.00 0.00 N ATOM 837 CA LYS A 57 0.329 -14.390 -0.296 1.00 0.00 C ATOM 838 C LYS A 57 1.103 -14.420 1.026 1.00 0.00 C ATOM 839 O LYS A 57 1.032 -15.395 1.776 1.00 0.00 O ATOM 840 CB LYS A 57 -0.048 -15.816 -0.719 1.00 0.00 C ATOM 841 CG LYS A 57 -1.088 -15.872 -1.831 1.00 0.00 C ATOM 842 CD LYS A 57 -1.635 -17.280 -2.019 1.00 0.00 C ATOM 843 CE LYS A 57 -0.636 -18.182 -2.730 1.00 0.00 C ATOM 844 NZ LYS A 57 -0.910 -19.626 -2.473 1.00 0.00 N ATOM 0 H LYS A 57 1.970 -14.226 -1.598 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.583 -13.813 -0.146 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.851 -16.337 -1.048 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.428 -16.354 0.149 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.907 -15.191 -1.598 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.642 -15.527 -2.764 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.883 -17.707 -1.047 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.560 -17.237 -2.594 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.673 -17.991 -3.802 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.373 -17.939 -2.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.208 -20.207 -2.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.850 -19.814 -1.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.863 -19.864 -2.813 1.00 0.00 H new ATOM 858 N ALA A 58 1.843 -13.342 1.304 1.00 0.00 N ATOM 859 CA ALA A 58 2.631 -13.242 2.528 1.00 0.00 C ATOM 860 C ALA A 58 1.745 -12.961 3.742 1.00 0.00 C ATOM 861 O ALA A 58 0.520 -12.981 3.642 1.00 0.00 O ATOM 862 CB ALA A 58 3.693 -12.157 2.383 1.00 0.00 C ATOM 0 H ALA A 58 1.910 -12.527 0.694 1.00 0.00 H new ATOM 0 HA ALA A 58 3.122 -14.201 2.690 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.275 -12.092 3.303 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.354 -12.404 1.552 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.210 -11.199 2.190 1.00 0.00 H new ATOM 868 N SER A 59 2.372 -12.699 4.888 1.00 0.00 N ATOM 869 CA SER A 59 1.637 -12.410 6.115 1.00 0.00 C ATOM 870 C SER A 59 1.360 -10.924 6.237 1.00 0.00 C ATOM 871 O SER A 59 2.231 -10.087 5.995 1.00 0.00 O ATOM 872 CB SER A 59 2.397 -12.906 7.348 1.00 0.00 C ATOM 873 OG SER A 59 3.595 -13.577 6.990 1.00 0.00 O ATOM 0 H SER A 59 3.387 -12.681 4.991 1.00 0.00 H new ATOM 0 HA SER A 59 0.687 -12.942 6.063 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.632 -12.061 7.995 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.760 -13.579 7.922 1.00 0.00 H new ATOM 0 HG SER A 59 4.347 -13.189 7.483 1.00 0.00 H new ATOM 879 N HIS A 60 0.131 -10.617 6.612 1.00 0.00 N ATOM 880 CA HIS A 60 -0.319 -9.242 6.772 1.00 0.00 C ATOM 881 C HIS A 60 0.543 -8.481 7.772 1.00 0.00 C ATOM 882 O HIS A 60 0.935 -7.342 7.520 1.00 0.00 O ATOM 883 CB HIS A 60 -1.776 -9.245 7.215 1.00 0.00 C ATOM 884 CG HIS A 60 -2.558 -8.071 6.722 1.00 0.00 C ATOM 885 ND1 HIS A 60 -2.988 -7.945 5.417 1.00 0.00 N ATOM 886 CD2 HIS A 60 -2.990 -6.964 7.369 1.00 0.00 C ATOM 887 CE1 HIS A 60 -3.650 -6.810 5.284 1.00 0.00 C ATOM 888 NE2 HIS A 60 -3.667 -6.197 6.454 1.00 0.00 N ATOM 0 H HIS A 60 -0.586 -11.314 6.815 1.00 0.00 H new ATOM 0 HA HIS A 60 -0.225 -8.730 5.814 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.251 -10.160 6.863 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.815 -9.264 8.304 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -2.832 -6.728 8.411 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -4.101 -6.445 4.373 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -4.111 -5.299 6.646 1.00 0.00 H new ATOM 897 N GLU A 61 0.842 -9.118 8.899 1.00 0.00 N ATOM 898 CA GLU A 61 1.666 -8.498 9.932 1.00 0.00 C ATOM 899 C GLU A 61 3.069 -8.219 9.405 1.00 0.00 C ATOM 900 O GLU A 61 3.647 -7.167 9.683 1.00 0.00 O ATOM 901 CB GLU A 61 1.732 -9.382 11.178 1.00 0.00 C ATOM 902 CG GLU A 61 0.662 -9.053 12.207 1.00 0.00 C ATOM 903 CD GLU A 61 1.181 -9.072 13.634 1.00 0.00 C ATOM 904 OE1 GLU A 61 2.188 -8.386 13.911 1.00 0.00 O ATOM 905 OE2 GLU A 61 0.577 -9.772 14.474 1.00 0.00 O ATOM 0 H GLU A 61 0.527 -10.062 9.121 1.00 0.00 H new ATOM 0 HA GLU A 61 1.205 -7.550 10.208 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.631 -10.426 10.880 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.714 -9.276 11.639 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.249 -8.068 11.990 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.155 -9.769 12.114 1.00 0.00 H new ATOM 912 N ASP A 62 3.603 -9.160 8.630 1.00 0.00 N ATOM 913 CA ASP A 62 4.932 -9.005 8.048 1.00 0.00 C ATOM 914 C ASP A 62 4.951 -7.840 7.068 1.00 0.00 C ATOM 915 O ASP A 62 5.867 -7.017 7.085 1.00 0.00 O ATOM 916 CB ASP A 62 5.361 -10.288 7.330 1.00 0.00 C ATOM 917 CG ASP A 62 6.352 -11.099 8.139 1.00 0.00 C ATOM 918 OD1 ASP A 62 7.552 -10.760 8.117 1.00 0.00 O ATOM 919 OD2 ASP A 62 5.924 -12.074 8.792 1.00 0.00 O ATOM 0 H ASP A 62 3.137 -10.035 8.391 1.00 0.00 H new ATOM 0 HA ASP A 62 5.633 -8.802 8.857 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.481 -10.897 7.123 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.805 -10.032 6.368 1.00 0.00 H new ATOM 924 N VAL A 63 3.931 -7.777 6.218 1.00 0.00 N ATOM 925 CA VAL A 63 3.825 -6.711 5.226 1.00 0.00 C ATOM 926 C VAL A 63 3.679 -5.348 5.895 1.00 0.00 C ATOM 927 O VAL A 63 4.318 -4.379 5.487 1.00 0.00 O ATOM 928 CB VAL A 63 2.638 -6.940 4.264 1.00 0.00 C ATOM 929 CG1 VAL A 63 2.590 -5.850 3.202 1.00 0.00 C ATOM 930 CG2 VAL A 63 2.721 -8.316 3.617 1.00 0.00 C ATOM 0 H VAL A 63 3.166 -8.451 6.196 1.00 0.00 H new ATOM 0 HA VAL A 63 4.749 -6.729 4.648 1.00 0.00 H new ATOM 0 HB VAL A 63 1.717 -6.894 4.845 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.747 -6.029 2.534 1.00 0.00 H new ATOM 0 HG12 VAL A 63 2.472 -4.879 3.683 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.516 -5.861 2.628 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.874 -8.453 2.944 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.650 -8.397 3.053 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.698 -9.084 4.390 1.00 0.00 H new ATOM 940 N VAL A 64 2.853 -5.284 6.939 1.00 0.00 N ATOM 941 CA VAL A 64 2.649 -4.043 7.672 1.00 0.00 C ATOM 942 C VAL A 64 3.937 -3.638 8.368 1.00 0.00 C ATOM 943 O VAL A 64 4.289 -2.459 8.411 1.00 0.00 O ATOM 944 CB VAL A 64 1.514 -4.161 8.713 1.00 0.00 C ATOM 945 CG1 VAL A 64 1.292 -2.828 9.417 1.00 0.00 C ATOM 946 CG2 VAL A 64 0.223 -4.642 8.060 1.00 0.00 C ATOM 0 H VAL A 64 2.317 -6.077 7.293 1.00 0.00 H new ATOM 0 HA VAL A 64 2.358 -3.281 6.949 1.00 0.00 H new ATOM 0 HB VAL A 64 1.813 -4.899 9.457 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.489 -2.931 10.146 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.208 -2.528 9.926 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.020 -2.070 8.683 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.560 -4.717 8.814 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.081 -3.933 7.290 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.386 -5.621 7.608 1.00 0.00 H new ATOM 956 N LYS A 65 4.642 -4.633 8.907 1.00 0.00 N ATOM 957 CA LYS A 65 5.899 -4.390 9.599 1.00 0.00 C ATOM 958 C LYS A 65 6.914 -3.718 8.674 1.00 0.00 C ATOM 959 O LYS A 65 7.644 -2.820 9.094 1.00 0.00 O ATOM 960 CB LYS A 65 6.479 -5.697 10.153 1.00 0.00 C ATOM 961 CG LYS A 65 6.593 -5.723 11.671 1.00 0.00 C ATOM 962 CD LYS A 65 6.116 -7.051 12.242 1.00 0.00 C ATOM 963 CE LYS A 65 6.917 -7.457 13.470 1.00 0.00 C ATOM 964 NZ LYS A 65 6.609 -6.597 14.649 1.00 0.00 N ATOM 0 H LYS A 65 4.361 -5.613 8.876 1.00 0.00 H new ATOM 0 HA LYS A 65 5.692 -3.718 10.432 1.00 0.00 H new ATOM 0 HB2 LYS A 65 5.851 -6.528 9.831 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.467 -5.857 9.721 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.629 -5.551 11.962 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.004 -4.910 12.095 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.061 -6.976 12.505 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.201 -7.826 11.480 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.703 -8.497 13.715 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.982 -7.395 13.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.176 -6.908 15.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.837 -5.607 14.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.598 -6.675 14.881 1.00 0.00 H new ATOM 978 N LEU A 66 6.950 -4.157 7.415 1.00 0.00 N ATOM 979 CA LEU A 66 7.872 -3.596 6.428 1.00 0.00 C ATOM 980 C LEU A 66 7.514 -2.144 6.110 1.00 0.00 C ATOM 981 O LEU A 66 8.396 -1.295 5.970 1.00 0.00 O ATOM 982 CB LEU A 66 7.865 -4.430 5.146 1.00 0.00 C ATOM 983 CG LEU A 66 8.301 -5.889 5.315 1.00 0.00 C ATOM 984 CD1 LEU A 66 7.564 -6.785 4.328 1.00 0.00 C ATOM 985 CD2 LEU A 66 9.810 -6.017 5.140 1.00 0.00 C ATOM 0 H LEU A 66 6.351 -4.900 7.055 1.00 0.00 H new ATOM 0 HA LEU A 66 8.874 -3.620 6.856 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.859 -4.414 4.727 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.521 -3.953 4.418 1.00 0.00 H new ATOM 0 HG LEU A 66 8.045 -6.213 6.324 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.887 -7.817 4.463 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.491 -6.714 4.504 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.787 -6.465 3.310 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.103 -7.060 5.263 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.091 -5.676 4.143 1.00 0.00 H new ATOM 0 HD23 LEU A 66 10.316 -5.407 5.888 1.00 0.00 H new ATOM 997 N ILE A 67 6.216 -1.868 6.007 1.00 0.00 N ATOM 998 CA ILE A 67 5.734 -0.518 5.718 1.00 0.00 C ATOM 999 C ILE A 67 5.991 0.407 6.906 1.00 0.00 C ATOM 1000 O ILE A 67 6.409 1.553 6.731 1.00 0.00 O ATOM 1001 CB ILE A 67 4.222 -0.505 5.394 1.00 0.00 C ATOM 1002 CG1 ILE A 67 3.888 -1.541 4.315 1.00 0.00 C ATOM 1003 CG2 ILE A 67 3.783 0.886 4.957 1.00 0.00 C ATOM 1004 CD1 ILE A 67 2.522 -2.169 4.484 1.00 0.00 C ATOM 0 H ILE A 67 5.477 -2.562 6.119 1.00 0.00 H new ATOM 0 HA ILE A 67 6.282 -0.165 4.844 1.00 0.00 H new ATOM 0 HB ILE A 67 3.676 -0.770 6.299 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.942 -1.065 3.336 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.644 -2.326 4.329 1.00 0.00 H new ATOM 0 HG21 ILE A 67 2.716 0.877 4.733 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.980 1.598 5.758 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.338 1.180 4.066 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.353 -2.892 3.686 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.471 -2.674 5.448 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.757 -1.394 4.440 1.00 0.00 H new ATOM 1016 N GLY A 68 5.744 -0.105 8.107 1.00 0.00 N ATOM 1017 CA GLY A 68 5.957 0.678 9.312 1.00 0.00 C ATOM 1018 C GLY A 68 7.431 0.846 9.648 1.00 0.00 C ATOM 1019 O GLY A 68 7.813 1.815 10.303 1.00 0.00 O ATOM 0 H GLY A 68 5.399 -1.051 8.268 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.502 1.661 9.187 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.450 0.196 10.148 1.00 0.00 H new ATOM 1023 N LYS A 69 8.255 -0.102 9.195 1.00 0.00 N ATOM 1024 CA LYS A 69 9.698 -0.067 9.445 1.00 0.00 C ATOM 1025 C LYS A 69 10.320 1.259 8.996 1.00 0.00 C ATOM 1026 O LYS A 69 11.250 1.758 9.632 1.00 0.00 O ATOM 1027 CB LYS A 69 10.386 -1.237 8.731 1.00 0.00 C ATOM 1028 CG LYS A 69 11.859 -1.396 9.081 1.00 0.00 C ATOM 1029 CD LYS A 69 12.050 -2.268 10.312 1.00 0.00 C ATOM 1030 CE LYS A 69 12.427 -3.692 9.934 1.00 0.00 C ATOM 1031 NZ LYS A 69 12.725 -4.528 11.132 1.00 0.00 N ATOM 0 H LYS A 69 7.945 -0.907 8.651 1.00 0.00 H new ATOM 0 HA LYS A 69 9.849 -0.158 10.521 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.862 -2.160 8.980 1.00 0.00 H new ATOM 0 HB3 LYS A 69 10.292 -1.098 7.654 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.389 -1.836 8.236 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.300 -0.415 9.257 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.828 -1.840 10.945 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.131 -2.277 10.899 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.612 -4.145 9.370 1.00 0.00 H new ATOM 0 HE3 LYS A 69 13.298 -3.675 9.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 12.977 -5.491 10.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 13.520 -4.111 11.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.886 -4.567 11.746 1.00 0.00 H new ATOM 1045 N CYS A 70 9.800 1.827 7.905 1.00 0.00 N ATOM 1046 CA CYS A 70 10.311 3.094 7.386 1.00 0.00 C ATOM 1047 C CYS A 70 9.955 4.247 8.321 1.00 0.00 C ATOM 1048 O CYS A 70 10.827 5.001 8.750 1.00 0.00 O ATOM 1049 CB CYS A 70 9.761 3.361 5.982 1.00 0.00 C ATOM 1050 SG CYS A 70 10.884 4.305 4.923 1.00 0.00 S ATOM 0 H CYS A 70 9.029 1.430 7.368 1.00 0.00 H new ATOM 0 HA CYS A 70 11.397 3.022 7.327 1.00 0.00 H new ATOM 0 HB2 CYS A 70 9.539 2.408 5.502 1.00 0.00 H new ATOM 0 HB3 CYS A 70 8.818 3.901 6.068 1.00 0.00 H new ATOM 0 HG CYS A 70 10.250 4.696 3.858 1.00 0.00 H new ATOM 1056 N SER A 71 8.665 4.374 8.623 1.00 0.00 N ATOM 1057 CA SER A 71 8.170 5.432 9.503 1.00 0.00 C ATOM 1058 C SER A 71 8.415 6.812 8.891 1.00 0.00 C ATOM 1059 O SER A 71 8.704 7.780 9.601 1.00 0.00 O ATOM 1060 CB SER A 71 8.828 5.337 10.888 1.00 0.00 C ATOM 1061 OG SER A 71 8.037 4.569 11.778 1.00 0.00 O ATOM 0 H SER A 71 7.938 3.753 8.269 1.00 0.00 H new ATOM 0 HA SER A 71 7.095 5.296 9.619 1.00 0.00 H new ATOM 0 HB2 SER A 71 9.816 4.887 10.794 1.00 0.00 H new ATOM 0 HB3 SER A 71 8.971 6.338 11.295 1.00 0.00 H new ATOM 0 HG SER A 71 7.902 3.673 11.405 1.00 0.00 H new ATOM 1067 N GLY A 72 8.297 6.888 7.568 1.00 0.00 N ATOM 1068 CA GLY A 72 8.503 8.142 6.862 1.00 0.00 C ATOM 1069 C GLY A 72 7.911 8.123 5.468 1.00 0.00 C ATOM 1070 O GLY A 72 7.264 9.085 5.048 1.00 0.00 O ATOM 0 H GLY A 72 8.061 6.098 6.968 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.055 8.955 7.433 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.571 8.348 6.797 1.00 0.00 H new ATOM 1074 N VAL A 73 8.125 7.021 4.748 1.00 0.00 N ATOM 1075 CA VAL A 73 7.602 6.878 3.393 1.00 0.00 C ATOM 1076 C VAL A 73 7.586 5.418 2.950 1.00 0.00 C ATOM 1077 O VAL A 73 8.561 4.687 3.139 1.00 0.00 O ATOM 1078 CB VAL A 73 8.410 7.719 2.381 1.00 0.00 C ATOM 1079 CG1 VAL A 73 9.892 7.371 2.432 1.00 0.00 C ATOM 1080 CG2 VAL A 73 7.861 7.548 0.970 1.00 0.00 C ATOM 0 H VAL A 73 8.656 6.217 5.082 1.00 0.00 H new ATOM 0 HA VAL A 73 6.577 7.248 3.413 1.00 0.00 H new ATOM 0 HB VAL A 73 8.304 8.767 2.662 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.434 7.980 1.708 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.278 7.568 3.432 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.027 6.316 2.192 1.00 0.00 H new ATOM 0 HG21 VAL A 73 8.447 8.150 0.276 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.922 6.499 0.681 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.821 7.872 0.943 1.00 0.00 H new ATOM 1090 N LEU A 74 6.471 5.005 2.355 1.00 0.00 N ATOM 1091 CA LEU A 74 6.316 3.634 1.876 1.00 0.00 C ATOM 1092 C LEU A 74 6.201 3.592 0.352 1.00 0.00 C ATOM 1093 O LEU A 74 5.782 4.566 -0.276 1.00 0.00 O ATOM 1094 CB LEU A 74 5.095 2.971 2.520 1.00 0.00 C ATOM 1095 CG LEU A 74 3.738 3.578 2.147 1.00 0.00 C ATOM 1096 CD1 LEU A 74 3.141 2.858 0.949 1.00 0.00 C ATOM 1097 CD2 LEU A 74 2.788 3.519 3.334 1.00 0.00 C ATOM 0 H LEU A 74 5.659 5.601 2.192 1.00 0.00 H new ATOM 0 HA LEU A 74 7.208 3.078 2.165 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.089 1.916 2.245 1.00 0.00 H new ATOM 0 HB3 LEU A 74 5.208 3.017 3.603 1.00 0.00 H new ATOM 0 HG LEU A 74 3.890 4.623 1.876 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.178 3.303 0.700 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.815 2.949 0.097 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.002 1.804 1.190 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.828 3.954 3.054 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.643 2.481 3.633 1.00 0.00 H new ATOM 0 HD23 LEU A 74 3.211 4.080 4.167 1.00 0.00 H new ATOM 1109 N HIS A 75 6.579 2.456 -0.231 1.00 0.00 N ATOM 1110 CA HIS A 75 6.528 2.272 -1.680 1.00 0.00 C ATOM 1111 C HIS A 75 5.851 0.950 -2.032 1.00 0.00 C ATOM 1112 O HIS A 75 6.356 -0.122 -1.693 1.00 0.00 O ATOM 1113 CB HIS A 75 7.945 2.305 -2.267 1.00 0.00 C ATOM 1114 CG HIS A 75 8.656 3.605 -2.047 1.00 0.00 C ATOM 1115 ND1 HIS A 75 9.147 4.001 -0.818 1.00 0.00 N ATOM 1116 CD2 HIS A 75 8.960 4.603 -2.908 1.00 0.00 C ATOM 1117 CE1 HIS A 75 9.720 5.186 -0.936 1.00 0.00 C ATOM 1118 NE2 HIS A 75 9.620 5.572 -2.195 1.00 0.00 N ATOM 0 H HIS A 75 6.926 1.645 0.281 1.00 0.00 H new ATOM 0 HA HIS A 75 5.944 3.087 -2.109 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.532 1.500 -1.824 1.00 0.00 H new ATOM 0 HB3 HIS A 75 7.890 2.107 -3.338 1.00 0.00 H new ATOM 0 HD2 HIS A 75 8.726 4.632 -3.962 1.00 0.00 H new ATOM 0 HE1 HIS A 75 10.190 5.743 -0.139 1.00 0.00 H new ATOM 0 HE2 HIS A 75 9.976 6.449 -2.576 1.00 0.00 H new ATOM 1127 N MET A 76 4.702 1.027 -2.710 1.00 0.00 N ATOM 1128 CA MET A 76 3.962 -0.173 -3.095 1.00 0.00 C ATOM 1129 C MET A 76 3.552 -0.128 -4.564 1.00 0.00 C ATOM 1130 O MET A 76 3.123 0.912 -5.070 1.00 0.00 O ATOM 1131 CB MET A 76 2.708 -0.344 -2.229 1.00 0.00 C ATOM 1132 CG MET A 76 2.892 0.049 -0.772 1.00 0.00 C ATOM 1133 SD MET A 76 1.328 0.114 0.122 1.00 0.00 S ATOM 1134 CE MET A 76 1.874 -0.246 1.788 1.00 0.00 C ATOM 0 H MET A 76 4.268 1.903 -3.001 1.00 0.00 H new ATOM 0 HA MET A 76 4.628 -1.022 -2.940 1.00 0.00 H new ATOM 0 HB2 MET A 76 1.903 0.254 -2.655 1.00 0.00 H new ATOM 0 HB3 MET A 76 2.389 -1.385 -2.274 1.00 0.00 H new ATOM 0 HG2 MET A 76 3.556 -0.666 -0.286 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.379 1.023 -0.719 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.523 -1.236 2.080 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.963 -0.221 1.827 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.469 0.499 2.473 1.00 0.00 H new ATOM 1144 N VAL A 77 3.665 -1.272 -5.233 1.00 0.00 N ATOM 1145 CA VAL A 77 3.287 -1.387 -6.637 1.00 0.00 C ATOM 1146 C VAL A 77 1.948 -2.109 -6.759 1.00 0.00 C ATOM 1147 O VAL A 77 1.841 -3.296 -6.442 1.00 0.00 O ATOM 1148 CB VAL A 77 4.349 -2.143 -7.463 1.00 0.00 C ATOM 1149 CG1 VAL A 77 3.999 -2.111 -8.944 1.00 0.00 C ATOM 1150 CG2 VAL A 77 5.738 -1.563 -7.225 1.00 0.00 C ATOM 0 H VAL A 77 4.017 -2.137 -4.822 1.00 0.00 H new ATOM 0 HA VAL A 77 3.207 -0.375 -7.035 1.00 0.00 H new ATOM 0 HB VAL A 77 4.357 -3.182 -7.135 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.760 -2.649 -9.509 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.029 -2.584 -9.099 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.957 -1.077 -9.286 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.468 -2.113 -7.818 1.00 0.00 H new ATOM 0 HG22 VAL A 77 5.749 -0.513 -7.518 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.991 -1.647 -6.168 1.00 0.00 H new ATOM 1160 N ILE A 78 0.926 -1.382 -7.205 1.00 0.00 N ATOM 1161 CA ILE A 78 -0.413 -1.946 -7.352 1.00 0.00 C ATOM 1162 C ILE A 78 -0.780 -2.153 -8.820 1.00 0.00 C ATOM 1163 O ILE A 78 -0.249 -1.482 -9.707 1.00 0.00 O ATOM 1164 CB ILE A 78 -1.490 -1.056 -6.690 1.00 0.00 C ATOM 1165 CG1 ILE A 78 -1.260 0.427 -7.022 1.00 0.00 C ATOM 1166 CG2 ILE A 78 -1.509 -1.276 -5.182 1.00 0.00 C ATOM 1167 CD1 ILE A 78 -0.292 1.130 -6.092 1.00 0.00 C ATOM 0 H ILE A 78 1.000 -0.400 -7.471 1.00 0.00 H new ATOM 0 HA ILE A 78 -0.390 -2.912 -6.847 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.462 -1.341 -7.092 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.887 0.505 -8.043 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -2.217 0.947 -6.992 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -2.273 -0.642 -4.731 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.734 -2.321 -4.970 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -0.534 -1.022 -4.765 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -0.187 2.171 -6.396 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -0.672 1.087 -5.071 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.680 0.638 -6.139 1.00 0.00 H new ATOM 1179 N ALA A 79 -1.698 -3.088 -9.061 1.00 0.00 N ATOM 1180 CA ALA A 79 -2.154 -3.402 -10.413 1.00 0.00 C ATOM 1181 C ALA A 79 -3.640 -3.095 -10.582 1.00 0.00 C ATOM 1182 O ALA A 79 -4.447 -3.370 -9.692 1.00 0.00 O ATOM 1183 CB ALA A 79 -1.877 -4.863 -10.733 1.00 0.00 C ATOM 0 H ALA A 79 -2.143 -3.645 -8.331 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.601 -2.773 -11.111 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.221 -5.086 -11.743 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.806 -5.054 -10.664 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.405 -5.498 -10.022 1.00 0.00 H new ATOM 1189 N GLU A 80 -3.993 -2.526 -11.736 1.00 0.00 N ATOM 1190 CA GLU A 80 -5.379 -2.181 -12.036 1.00 0.00 C ATOM 1191 C GLU A 80 -5.975 -3.167 -13.043 1.00 0.00 C ATOM 1192 O GLU A 80 -5.481 -3.299 -14.164 1.00 0.00 O ATOM 1193 CB GLU A 80 -5.455 -0.753 -12.587 1.00 0.00 C ATOM 1194 CG GLU A 80 -6.868 -0.282 -12.889 1.00 0.00 C ATOM 1195 CD GLU A 80 -6.909 1.121 -13.465 1.00 0.00 C ATOM 1196 OE1 GLU A 80 -6.412 2.053 -12.799 1.00 0.00 O ATOM 1197 OE2 GLU A 80 -7.439 1.288 -14.584 1.00 0.00 O ATOM 0 H GLU A 80 -3.334 -2.295 -12.479 1.00 0.00 H new ATOM 0 HA GLU A 80 -5.958 -2.239 -11.115 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.002 -0.072 -11.867 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.861 -0.694 -13.499 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.334 -0.972 -13.592 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.459 -0.312 -11.974 1.00 0.00 H new ATOM 1204 N GLY A 81 -7.041 -3.855 -12.631 1.00 0.00 N ATOM 1205 CA GLY A 81 -7.691 -4.819 -13.504 1.00 0.00 C ATOM 1206 C GLY A 81 -9.162 -4.508 -13.718 1.00 0.00 C ATOM 1207 O GLY A 81 -10.031 -5.271 -13.290 1.00 0.00 O ATOM 0 H GLY A 81 -7.465 -3.761 -11.708 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.182 -4.833 -14.468 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -7.592 -5.817 -13.076 1.00 0.00 H new ATOM 1211 N VAL A 82 -9.439 -3.388 -14.382 1.00 0.00 N ATOM 1212 CA VAL A 82 -10.814 -2.973 -14.657 1.00 0.00 C ATOM 1213 C VAL A 82 -11.118 -2.997 -16.165 1.00 0.00 C ATOM 1214 O VAL A 82 -12.054 -2.346 -16.632 1.00 0.00 O ATOM 1215 CB VAL A 82 -11.090 -1.563 -14.082 1.00 0.00 C ATOM 1216 CG1 VAL A 82 -10.312 -0.496 -14.842 1.00 0.00 C ATOM 1217 CG2 VAL A 82 -12.584 -1.263 -14.089 1.00 0.00 C ATOM 0 H VAL A 82 -8.728 -2.750 -14.740 1.00 0.00 H new ATOM 0 HA VAL A 82 -11.474 -3.688 -14.165 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.746 -1.547 -13.048 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -10.526 0.484 -14.415 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -9.244 -0.700 -14.764 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -10.608 -0.508 -15.891 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -12.757 -0.267 -13.681 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -12.959 -1.306 -15.112 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -13.106 -2.001 -13.480 1.00 0.00 H new ATOM 1227 N GLY A 83 -10.323 -3.763 -16.916 1.00 0.00 N ATOM 1228 CA GLY A 83 -10.520 -3.866 -18.354 1.00 0.00 C ATOM 1229 C GLY A 83 -9.333 -4.489 -19.062 1.00 0.00 C ATOM 1230 O GLY A 83 -9.055 -4.095 -20.214 1.00 0.00 O ATOM 1231 OXT GLY A 83 -8.677 -5.373 -18.466 1.00 0.00 O ATOM 0 H GLY A 83 -9.546 -4.314 -16.552 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -11.411 -4.462 -18.553 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.703 -2.873 -18.764 1.00 0.00 H new TER 1235 GLY A 83