USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=14 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 20 SER OG : rot 80:sc= 0.826 USER MOD Set 1.2: A 28 SER OG : rot 97:sc= 0.826 USER MOD Set 2.1: A 15 TYR OH : rot 9:sc= 1.16 USER MOD Set 2.2: A 70 CYS SG : rot 170:sc= 0.576 USER MOD Single : A 5 SER OG : rot 180:sc= 0.00293 USER MOD Single : A 18 THR OG1 : rot 73:sc= 0.0247 USER MOD Single : A 22 GLN : amide:sc=-0.00384 X(o=-0.0038,f=0) USER MOD Single : A 25 CYS SG : rot 110:sc= -3.65! USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 MET CE :methyl -113:sc= -0.233 (180deg=-1.05) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.249 K(o=-0.25,f=-1.7!) USER MOD Single : A 51 ASN : amide:sc= -0.336 K(o=-0.34,f=-2.6!) USER MOD Single : A 54 ASN : amide:sc= 0.189 K(o=0.19,f=-2.3!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 150:sc= -0.0652 (180deg=-0.587) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.19 K(o=-0.19,f=-2.8!) 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 71 SER OG : rot -54:sc= 0.302 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.0029) USER MOD Single : A 76 MET CE :methyl -142:sc= -0.435 (180deg=-0.756) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 1.645 1.340 -18.568 1.00 0.00 N ATOM 2 CA PRO A 1 1.453 0.019 -17.905 1.00 0.00 C ATOM 3 C PRO A 1 0.365 0.070 -16.830 1.00 0.00 C ATOM 4 O PRO A 1 -0.268 1.108 -16.623 1.00 0.00 O ATOM 5 CB PRO A 1 2.792 -0.387 -17.293 1.00 0.00 C ATOM 6 CG PRO A 1 3.655 0.817 -17.461 1.00 0.00 C ATOM 7 CD PRO A 1 3.096 1.582 -18.636 1.00 0.00 C ATOM 0 H2 PRO A 1 1.180 2.079 -18.041 1.00 0.00 H new ATOM 0 H3 PRO A 1 1.236 1.338 -19.502 1.00 0.00 H new ATOM 0 HA PRO A 1 1.123 -0.713 -18.642 1.00 0.00 H new ATOM 0 HB2 PRO A 1 2.684 -0.655 -16.242 1.00 0.00 H new ATOM 0 HB3 PRO A 1 3.215 -1.254 -17.801 1.00 0.00 H new ATOM 0 HG2 PRO A 1 3.647 1.430 -16.559 1.00 0.00 H new ATOM 0 HG3 PRO A 1 4.691 0.530 -17.642 1.00 0.00 H new ATOM 0 HD2 PRO A 1 3.326 2.645 -18.565 1.00 0.00 H new ATOM 0 HD3 PRO A 1 3.515 1.227 -19.578 1.00 0.00 H new ATOM 17 N ARG A 2 0.150 -1.059 -16.153 1.00 0.00 N ATOM 18 CA ARG A 2 -0.863 -1.149 -15.104 1.00 0.00 C ATOM 19 C ARG A 2 -0.238 -1.000 -13.715 1.00 0.00 C ATOM 20 O ARG A 2 -0.698 -0.193 -12.903 1.00 0.00 O ATOM 21 CB ARG A 2 -1.612 -2.481 -15.202 1.00 0.00 C ATOM 22 CG ARG A 2 -3.116 -2.322 -15.358 1.00 0.00 C ATOM 23 CD ARG A 2 -3.591 -2.824 -16.714 1.00 0.00 C ATOM 24 NE ARG A 2 -4.919 -2.315 -17.056 1.00 0.00 N ATOM 25 CZ ARG A 2 -5.708 -2.849 -17.995 1.00 0.00 C ATOM 26 NH1 ARG A 2 -5.311 -3.912 -18.690 1.00 0.00 N ATOM 27 NH2 ARG A 2 -6.901 -2.316 -18.240 1.00 0.00 N ATOM 0 H ARG A 2 0.666 -1.924 -16.314 1.00 0.00 H new ATOM 0 HA ARG A 2 -1.568 -0.331 -15.249 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -1.224 -3.045 -16.051 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -1.408 -3.070 -14.308 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -3.625 -2.872 -14.566 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -3.386 -1.272 -15.242 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -2.879 -2.521 -17.482 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -3.611 -3.914 -16.710 1.00 0.00 H new ATOM 0 HE ARG A 2 -5.265 -1.502 -16.547 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -4.397 -4.328 -18.509 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -5.920 -4.311 -19.404 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -7.214 -1.501 -17.712 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -7.504 -2.722 -18.956 1.00 0.00 H new ATOM 41 N VAL A 3 0.809 -1.783 -13.448 1.00 0.00 N ATOM 42 CA VAL A 3 1.499 -1.741 -12.159 1.00 0.00 C ATOM 43 C VAL A 3 2.299 -0.448 -12.012 1.00 0.00 C ATOM 44 O VAL A 3 3.153 -0.138 -12.845 1.00 0.00 O ATOM 45 CB VAL A 3 2.447 -2.949 -11.983 1.00 0.00 C ATOM 46 CG1 VAL A 3 3.041 -2.974 -10.580 1.00 0.00 C ATOM 47 CG2 VAL A 3 1.721 -4.256 -12.279 1.00 0.00 C ATOM 0 H VAL A 3 1.198 -2.455 -14.110 1.00 0.00 H new ATOM 0 HA VAL A 3 0.732 -1.783 -11.385 1.00 0.00 H new ATOM 0 HB VAL A 3 3.263 -2.841 -12.697 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.704 -3.833 -10.481 1.00 0.00 H new ATOM 0 HG12 VAL A 3 3.606 -2.058 -10.408 1.00 0.00 H new ATOM 0 HG13 VAL A 3 2.238 -3.049 -9.846 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.408 -5.092 -12.148 1.00 0.00 H new ATOM 0 HG22 VAL A 3 0.880 -4.368 -11.595 1.00 0.00 H new ATOM 0 HG23 VAL A 3 1.355 -4.244 -13.306 1.00 0.00 H new ATOM 57 N ARG A 4 2.008 0.304 -10.951 1.00 0.00 N ATOM 58 CA ARG A 4 2.693 1.571 -10.692 1.00 0.00 C ATOM 59 C ARG A 4 3.170 1.664 -9.242 1.00 0.00 C ATOM 60 O ARG A 4 2.681 0.943 -8.368 1.00 0.00 O ATOM 61 CB ARG A 4 1.768 2.746 -11.021 1.00 0.00 C ATOM 62 CG ARG A 4 0.559 2.853 -10.104 1.00 0.00 C ATOM 63 CD ARG A 4 -0.691 3.262 -10.869 1.00 0.00 C ATOM 64 NE ARG A 4 -1.877 3.284 -10.012 1.00 0.00 N ATOM 65 CZ ARG A 4 -2.170 4.274 -9.162 1.00 0.00 C ATOM 66 NH1 ARG A 4 -1.362 5.328 -9.046 1.00 0.00 N ATOM 67 NH2 ARG A 4 -3.273 4.204 -8.421 1.00 0.00 N ATOM 0 H ARG A 4 1.303 0.058 -10.257 1.00 0.00 H new ATOM 0 HA ARG A 4 3.572 1.614 -11.335 1.00 0.00 H new ATOM 0 HB2 ARG A 4 2.339 3.673 -10.963 1.00 0.00 H new ATOM 0 HB3 ARG A 4 1.424 2.648 -12.050 1.00 0.00 H new ATOM 0 HG2 ARG A 4 0.388 1.895 -9.613 1.00 0.00 H new ATOM 0 HG3 ARG A 4 0.761 3.582 -9.319 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -0.541 4.249 -11.306 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -0.853 2.569 -11.695 1.00 0.00 H new ATOM 0 HE ARG A 4 -2.521 2.495 -10.066 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -0.513 5.384 -9.608 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -1.593 6.079 -8.395 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -3.892 3.397 -8.502 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -3.500 4.957 -7.772 1.00 0.00 H new ATOM 81 N SER A 5 4.126 2.559 -8.993 1.00 0.00 N ATOM 82 CA SER A 5 4.676 2.752 -7.653 1.00 0.00 C ATOM 83 C SER A 5 4.086 3.994 -6.988 1.00 0.00 C ATOM 84 O SER A 5 4.044 5.072 -7.589 1.00 0.00 O ATOM 85 CB SER A 5 6.202 2.868 -7.710 1.00 0.00 C ATOM 86 OG SER A 5 6.609 3.769 -8.722 1.00 0.00 O ATOM 0 H SER A 5 4.536 3.163 -9.705 1.00 0.00 H new ATOM 0 HA SER A 5 4.407 1.881 -7.056 1.00 0.00 H new ATOM 0 HB2 SER A 5 6.580 3.206 -6.745 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.637 1.886 -7.897 1.00 0.00 H new ATOM 0 HG SER A 5 7.587 3.826 -8.736 1.00 0.00 H new ATOM 92 N VAL A 6 3.635 3.833 -5.747 1.00 0.00 N ATOM 93 CA VAL A 6 3.047 4.930 -4.986 1.00 0.00 C ATOM 94 C VAL A 6 3.892 5.249 -3.751 1.00 0.00 C ATOM 95 O VAL A 6 4.265 4.349 -2.995 1.00 0.00 O ATOM 96 CB VAL A 6 1.603 4.598 -4.547 1.00 0.00 C ATOM 97 CG1 VAL A 6 0.906 5.831 -3.992 1.00 0.00 C ATOM 98 CG2 VAL A 6 0.809 4.008 -5.707 1.00 0.00 C ATOM 0 H VAL A 6 3.666 2.946 -5.244 1.00 0.00 H new ATOM 0 HA VAL A 6 3.023 5.801 -5.640 1.00 0.00 H new ATOM 0 HB VAL A 6 1.655 3.853 -3.753 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -0.109 5.571 -3.690 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.457 6.203 -3.128 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.869 6.604 -4.759 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.205 3.782 -5.376 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.771 4.727 -6.525 1.00 0.00 H new ATOM 0 HG23 VAL A 6 1.292 3.093 -6.050 1.00 0.00 H new ATOM 108 N GLU A 7 4.186 6.535 -3.554 1.00 0.00 N ATOM 109 CA GLU A 7 4.988 6.979 -2.415 1.00 0.00 C ATOM 110 C GLU A 7 4.095 7.551 -1.315 1.00 0.00 C ATOM 111 O GLU A 7 3.484 8.608 -1.489 1.00 0.00 O ATOM 112 CB GLU A 7 6.011 8.026 -2.864 1.00 0.00 C ATOM 113 CG GLU A 7 7.139 7.459 -3.716 1.00 0.00 C ATOM 114 CD GLU A 7 6.778 7.381 -5.188 1.00 0.00 C ATOM 115 OE1 GLU A 7 6.813 8.430 -5.864 1.00 0.00 O ATOM 116 OE2 GLU A 7 6.461 6.269 -5.663 1.00 0.00 O ATOM 0 H GLU A 7 3.880 7.288 -4.170 1.00 0.00 H new ATOM 0 HA GLU A 7 5.519 6.117 -2.012 1.00 0.00 H new ATOM 0 HB2 GLU A 7 5.497 8.803 -3.429 1.00 0.00 H new ATOM 0 HB3 GLU A 7 6.439 8.503 -1.982 1.00 0.00 H new ATOM 0 HG2 GLU A 7 8.027 8.080 -3.596 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.396 6.463 -3.356 1.00 0.00 H new ATOM 123 N VAL A 8 4.020 6.846 -0.187 1.00 0.00 N ATOM 124 CA VAL A 8 3.195 7.281 0.938 1.00 0.00 C ATOM 125 C VAL A 8 4.029 8.015 1.989 1.00 0.00 C ATOM 126 O VAL A 8 4.899 7.423 2.632 1.00 0.00 O ATOM 127 CB VAL A 8 2.473 6.089 1.605 1.00 0.00 C ATOM 128 CG1 VAL A 8 1.435 6.580 2.606 1.00 0.00 C ATOM 129 CG2 VAL A 8 1.822 5.192 0.559 1.00 0.00 C ATOM 0 H VAL A 8 4.521 5.972 -0.028 1.00 0.00 H new ATOM 0 HA VAL A 8 2.449 7.965 0.533 1.00 0.00 H new ATOM 0 HB VAL A 8 3.219 5.502 2.141 1.00 0.00 H new ATOM 0 HG11 VAL A 8 0.938 5.725 3.064 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.926 7.171 3.379 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.697 7.196 2.092 1.00 0.00 H new ATOM 0 HG21 VAL A 8 1.320 4.360 1.054 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.093 5.768 -0.011 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.586 4.805 -0.115 1.00 0.00 H new ATOM 139 N ALA A 9 3.747 9.308 2.158 1.00 0.00 N ATOM 140 CA ALA A 9 4.455 10.137 3.129 1.00 0.00 C ATOM 141 C ALA A 9 3.770 10.080 4.491 1.00 0.00 C ATOM 142 O ALA A 9 2.850 10.853 4.769 1.00 0.00 O ATOM 143 CB ALA A 9 4.538 11.575 2.634 1.00 0.00 C ATOM 0 H ALA A 9 3.029 9.804 1.631 1.00 0.00 H new ATOM 0 HA ALA A 9 5.467 9.747 3.241 1.00 0.00 H new ATOM 0 HB1 ALA A 9 5.068 12.182 3.368 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.073 11.603 1.685 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.532 11.971 2.495 1.00 0.00 H new ATOM 149 N ARG A 10 4.226 9.154 5.328 1.00 0.00 N ATOM 150 CA ARG A 10 3.671 8.973 6.671 1.00 0.00 C ATOM 151 C ARG A 10 3.632 10.295 7.435 1.00 0.00 C ATOM 152 O ARG A 10 4.640 10.997 7.540 1.00 0.00 O ATOM 153 CB ARG A 10 4.490 7.943 7.456 1.00 0.00 C ATOM 154 CG ARG A 10 3.755 7.362 8.655 1.00 0.00 C ATOM 155 CD ARG A 10 4.719 6.776 9.675 1.00 0.00 C ATOM 156 NE ARG A 10 4.159 5.606 10.354 1.00 0.00 N ATOM 157 CZ ARG A 10 4.605 5.128 11.520 1.00 0.00 C ATOM 158 NH1 ARG A 10 5.628 5.711 12.144 1.00 0.00 N ATOM 159 NH2 ARG A 10 4.029 4.061 12.063 1.00 0.00 N ATOM 0 H ARG A 10 4.984 8.511 5.100 1.00 0.00 H new ATOM 0 HA ARG A 10 2.650 8.608 6.561 1.00 0.00 H new ATOM 0 HB2 ARG A 10 4.774 7.131 6.786 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.413 8.411 7.799 1.00 0.00 H new ATOM 0 HG2 ARG A 10 3.155 8.140 9.126 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.065 6.588 8.319 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.647 6.496 9.177 1.00 0.00 H new ATOM 0 HD3 ARG A 10 4.971 7.537 10.414 1.00 0.00 H new ATOM 0 HE ARG A 10 3.378 5.124 9.908 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.077 6.529 11.732 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.962 5.339 13.033 1.00 0.00 H new ATOM 0 HH21 ARG A 10 3.247 3.607 11.590 1.00 0.00 H new ATOM 0 HH22 ARG A 10 4.369 3.695 12.953 1.00 0.00 H new ATOM 173 N GLY A 11 2.455 10.627 7.963 1.00 0.00 N ATOM 174 CA GLY A 11 2.286 11.868 8.710 1.00 0.00 C ATOM 175 C GLY A 11 2.608 11.738 10.194 1.00 0.00 C ATOM 176 O GLY A 11 2.146 12.549 10.998 1.00 0.00 O ATOM 0 H GLY A 11 1.612 10.058 7.887 1.00 0.00 H new ATOM 0 HA2 GLY A 11 2.927 12.634 8.274 1.00 0.00 H new ATOM 0 HA3 GLY A 11 1.257 12.211 8.599 1.00 0.00 H new ATOM 180 N ARG A 12 3.388 10.710 10.563 1.00 0.00 N ATOM 181 CA ARG A 12 3.765 10.467 11.961 1.00 0.00 C ATOM 182 C ARG A 12 2.577 9.962 12.796 1.00 0.00 C ATOM 183 O ARG A 12 2.724 9.703 13.993 1.00 0.00 O ATOM 184 CB ARG A 12 4.367 11.731 12.596 1.00 0.00 C ATOM 185 CG ARG A 12 5.868 11.634 12.842 1.00 0.00 C ATOM 186 CD ARG A 12 6.178 11.081 14.227 1.00 0.00 C ATOM 187 NE ARG A 12 7.494 11.504 14.705 1.00 0.00 N ATOM 188 CZ ARG A 12 8.652 11.020 14.243 1.00 0.00 C ATOM 189 NH1 ARG A 12 8.667 10.091 13.290 1.00 0.00 N ATOM 190 NH2 ARG A 12 9.801 11.469 14.740 1.00 0.00 N ATOM 0 H ARG A 12 3.771 10.030 9.906 1.00 0.00 H new ATOM 0 HA ARG A 12 4.523 9.684 11.956 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.168 12.584 11.947 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.864 11.927 13.543 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.320 10.993 12.085 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.319 12.621 12.735 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.413 11.413 14.929 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.135 9.992 14.200 1.00 0.00 H new ATOM 0 HE ARG A 12 7.531 12.213 15.437 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.790 9.741 12.905 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.556 9.729 12.945 1.00 0.00 H new ATOM 0 HH21 ARG A 12 9.797 12.180 15.471 1.00 0.00 H new ATOM 0 HH22 ARG A 12 10.686 11.102 14.390 1.00 0.00 H new ATOM 204 N ALA A 13 1.409 9.810 12.162 1.00 0.00 N ATOM 205 CA ALA A 13 0.213 9.324 12.845 1.00 0.00 C ATOM 206 C ALA A 13 -0.628 8.437 11.921 1.00 0.00 C ATOM 207 O ALA A 13 -1.837 8.288 12.116 1.00 0.00 O ATOM 208 CB ALA A 13 -0.612 10.496 13.356 1.00 0.00 C ATOM 0 H ALA A 13 1.270 10.018 11.173 1.00 0.00 H new ATOM 0 HA ALA A 13 0.528 8.718 13.695 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -1.501 10.121 13.863 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.016 11.083 14.054 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -0.911 11.124 12.517 1.00 0.00 H new ATOM 214 N GLY A 14 0.023 7.847 10.911 1.00 0.00 N ATOM 215 CA GLY A 14 -0.678 6.983 9.975 1.00 0.00 C ATOM 216 C GLY A 14 -0.365 7.312 8.527 1.00 0.00 C ATOM 217 O GLY A 14 0.636 7.972 8.235 1.00 0.00 O ATOM 0 H GLY A 14 1.021 7.955 10.729 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -0.410 5.945 10.174 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.752 7.072 10.139 1.00 0.00 H new ATOM 221 N TYR A 15 -1.220 6.838 7.619 1.00 0.00 N ATOM 222 CA TYR A 15 -1.033 7.069 6.185 1.00 0.00 C ATOM 223 C TYR A 15 -2.315 7.562 5.517 1.00 0.00 C ATOM 224 O TYR A 15 -2.282 8.486 4.703 1.00 0.00 O ATOM 225 CB TYR A 15 -0.551 5.787 5.499 1.00 0.00 C ATOM 226 CG TYR A 15 0.682 5.182 6.135 1.00 0.00 C ATOM 227 CD1 TYR A 15 1.953 5.639 5.806 1.00 0.00 C ATOM 228 CD2 TYR A 15 0.575 4.155 7.065 1.00 0.00 C ATOM 229 CE1 TYR A 15 3.080 5.092 6.385 1.00 0.00 C ATOM 230 CE2 TYR A 15 1.698 3.603 7.648 1.00 0.00 C ATOM 231 CZ TYR A 15 2.947 4.073 7.306 1.00 0.00 C ATOM 232 OH TYR A 15 4.063 3.530 7.893 1.00 0.00 O ATOM 0 H TYR A 15 -2.049 6.291 7.851 1.00 0.00 H new ATOM 0 HA TYR A 15 -0.277 7.847 6.076 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -1.356 5.052 5.516 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -0.340 6.003 4.452 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.060 6.436 5.085 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.402 3.783 7.336 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.060 5.459 6.119 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.598 2.806 8.370 1.00 0.00 H new ATOM 0 HH TYR A 15 4.848 4.071 7.667 1.00 0.00 H new ATOM 242 N GLY A 16 -3.440 6.935 5.858 1.00 0.00 N ATOM 243 CA GLY A 16 -4.715 7.318 5.278 1.00 0.00 C ATOM 244 C GLY A 16 -5.440 6.160 4.607 1.00 0.00 C ATOM 245 O GLY A 16 -6.625 6.272 4.290 1.00 0.00 O ATOM 0 H GLY A 16 -3.489 6.167 6.527 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -5.352 7.734 6.059 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.551 8.109 4.546 1.00 0.00 H new ATOM 249 N PHE A 17 -4.733 5.048 4.384 1.00 0.00 N ATOM 250 CA PHE A 17 -5.323 3.874 3.742 1.00 0.00 C ATOM 251 C PHE A 17 -5.521 2.731 4.742 1.00 0.00 C ATOM 252 O PHE A 17 -5.103 2.822 5.900 1.00 0.00 O ATOM 253 CB PHE A 17 -4.441 3.415 2.573 1.00 0.00 C ATOM 254 CG PHE A 17 -3.140 2.782 3.001 1.00 0.00 C ATOM 255 CD1 PHE A 17 -2.049 3.566 3.343 1.00 0.00 C ATOM 256 CD2 PHE A 17 -3.015 1.402 3.062 1.00 0.00 C ATOM 257 CE1 PHE A 17 -0.858 2.986 3.740 1.00 0.00 C ATOM 258 CE2 PHE A 17 -1.827 0.818 3.459 1.00 0.00 C ATOM 259 CZ PHE A 17 -0.748 1.610 3.798 1.00 0.00 C ATOM 0 H PHE A 17 -3.752 4.938 4.639 1.00 0.00 H new ATOM 0 HA PHE A 17 -6.305 4.155 3.360 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.999 2.701 1.968 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.224 4.272 1.936 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -2.130 4.642 3.299 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.855 0.777 2.796 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.015 3.608 4.004 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.743 -0.258 3.504 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.181 1.154 4.108 1.00 0.00 H new ATOM 269 N THR A 18 -6.162 1.655 4.284 1.00 0.00 N ATOM 270 CA THR A 18 -6.426 0.490 5.124 1.00 0.00 C ATOM 271 C THR A 18 -5.985 -0.795 4.420 1.00 0.00 C ATOM 272 O THR A 18 -6.122 -0.924 3.203 1.00 0.00 O ATOM 273 CB THR A 18 -7.917 0.420 5.476 1.00 0.00 C ATOM 274 OG1 THR A 18 -8.387 1.682 5.921 1.00 0.00 O ATOM 275 CG2 THR A 18 -8.244 -0.592 6.556 1.00 0.00 C ATOM 0 H THR A 18 -6.509 1.568 3.329 1.00 0.00 H new ATOM 0 HA THR A 18 -5.851 0.590 6.045 1.00 0.00 H new ATOM 0 HB THR A 18 -8.409 0.110 4.554 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.455 2.293 5.158 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.317 -0.583 6.750 1.00 0.00 H new ATOM 0 HG22 THR A 18 -7.943 -1.586 6.226 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.708 -0.335 7.470 1.00 0.00 H new ATOM 283 N LEU A 19 -5.446 -1.739 5.195 1.00 0.00 N ATOM 284 CA LEU A 19 -4.976 -3.011 4.646 1.00 0.00 C ATOM 285 C LEU A 19 -5.644 -4.197 5.342 1.00 0.00 C ATOM 286 O LEU A 19 -5.568 -4.332 6.567 1.00 0.00 O ATOM 287 CB LEU A 19 -3.456 -3.120 4.793 1.00 0.00 C ATOM 288 CG LEU A 19 -2.678 -3.299 3.485 1.00 0.00 C ATOM 289 CD1 LEU A 19 -1.179 -3.295 3.756 1.00 0.00 C ATOM 290 CD2 LEU A 19 -3.093 -4.588 2.789 1.00 0.00 C ATOM 0 H LEU A 19 -5.325 -1.646 6.203 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.243 -3.037 3.590 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.091 -2.222 5.292 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.231 -3.962 5.447 1.00 0.00 H new ATOM 0 HG LEU A 19 -2.912 -2.464 2.825 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.639 -3.423 2.818 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.894 -2.347 4.212 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.929 -4.112 4.433 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.530 -4.698 1.862 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.887 -5.436 3.442 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.159 -4.553 2.564 1.00 0.00 H new ATOM 302 N SER A 20 -6.280 -5.063 4.551 1.00 0.00 N ATOM 303 CA SER A 20 -6.954 -6.254 5.081 1.00 0.00 C ATOM 304 C SER A 20 -6.950 -7.392 4.057 1.00 0.00 C ATOM 305 O SER A 20 -6.790 -7.158 2.856 1.00 0.00 O ATOM 306 CB SER A 20 -8.399 -5.929 5.483 1.00 0.00 C ATOM 307 OG SER A 20 -8.518 -4.614 6.008 1.00 0.00 O ATOM 0 H SER A 20 -6.344 -4.963 3.538 1.00 0.00 H new ATOM 0 HA SER A 20 -6.402 -6.576 5.964 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.050 -6.034 4.615 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.740 -6.649 6.226 1.00 0.00 H new ATOM 0 HG SER A 20 -8.547 -3.969 5.271 1.00 0.00 H new ATOM 313 N GLY A 21 -7.130 -8.624 4.539 1.00 0.00 N ATOM 314 CA GLY A 21 -7.146 -9.782 3.655 1.00 0.00 C ATOM 315 C GLY A 21 -6.371 -10.970 4.210 1.00 0.00 C ATOM 316 O GLY A 21 -6.700 -12.121 3.916 1.00 0.00 O ATOM 0 H GLY A 21 -7.265 -8.840 5.527 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -8.179 -10.081 3.477 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.725 -9.500 2.690 1.00 0.00 H new ATOM 320 N GLN A 22 -5.338 -10.687 5.013 1.00 0.00 N ATOM 321 CA GLN A 22 -4.497 -11.729 5.622 1.00 0.00 C ATOM 322 C GLN A 22 -3.725 -12.546 4.571 1.00 0.00 C ATOM 323 O GLN A 22 -3.287 -13.667 4.847 1.00 0.00 O ATOM 324 CB GLN A 22 -5.347 -12.663 6.491 1.00 0.00 C ATOM 325 CG GLN A 22 -4.869 -12.751 7.930 1.00 0.00 C ATOM 326 CD GLN A 22 -4.127 -14.042 8.225 1.00 0.00 C ATOM 327 OE1 GLN A 22 -4.647 -14.928 8.901 1.00 0.00 O ATOM 328 NE2 GLN A 22 -2.904 -14.154 7.715 1.00 0.00 N ATOM 0 H GLN A 22 -5.061 -9.736 5.259 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.762 -11.221 6.246 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -6.380 -12.317 6.480 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -5.341 -13.661 6.052 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.216 -11.905 8.144 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -5.726 -12.669 8.598 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.511 -13.394 7.160 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.359 -15.000 7.879 1.00 0.00 H new ATOM 337 N ALA A 23 -3.553 -11.976 3.377 1.00 0.00 N ATOM 338 CA ALA A 23 -2.830 -12.640 2.290 1.00 0.00 C ATOM 339 C ALA A 23 -2.805 -11.750 1.046 1.00 0.00 C ATOM 340 O ALA A 23 -1.738 -11.308 0.618 1.00 0.00 O ATOM 341 CB ALA A 23 -3.445 -13.999 1.970 1.00 0.00 C ATOM 0 H ALA A 23 -3.907 -11.050 3.137 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.804 -12.808 2.617 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -2.888 -14.469 1.159 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -3.404 -14.634 2.855 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.484 -13.866 1.667 1.00 0.00 H new ATOM 347 N PRO A 24 -3.987 -11.459 0.454 1.00 0.00 N ATOM 348 CA PRO A 24 -4.085 -10.601 -0.727 1.00 0.00 C ATOM 349 C PRO A 24 -3.997 -9.125 -0.356 1.00 0.00 C ATOM 350 O PRO A 24 -5.017 -8.462 -0.152 1.00 0.00 O ATOM 351 CB PRO A 24 -5.462 -10.944 -1.289 1.00 0.00 C ATOM 352 CG PRO A 24 -6.274 -11.300 -0.090 1.00 0.00 C ATOM 353 CD PRO A 24 -5.319 -11.926 0.899 1.00 0.00 C ATOM 0 HA PRO A 24 -3.275 -10.765 -1.438 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.894 -10.099 -1.825 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.408 -11.774 -1.993 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.749 -10.415 0.335 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.072 -11.995 -0.353 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.534 -11.607 1.919 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.386 -13.014 0.885 1.00 0.00 H new ATOM 361 N CYS A 25 -2.768 -8.623 -0.251 1.00 0.00 N ATOM 362 CA CYS A 25 -2.536 -7.224 0.110 1.00 0.00 C ATOM 363 C CYS A 25 -3.325 -6.296 -0.807 1.00 0.00 C ATOM 364 O CYS A 25 -3.034 -6.192 -1.999 1.00 0.00 O ATOM 365 CB CYS A 25 -1.043 -6.892 0.040 1.00 0.00 C ATOM 366 SG CYS A 25 0.002 -7.956 1.061 1.00 0.00 S ATOM 0 H CYS A 25 -1.917 -9.163 -0.410 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.879 -7.074 1.134 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.714 -6.966 -0.997 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.898 -5.856 0.347 1.00 0.00 H new ATOM 0 HG CYS A 25 0.711 -8.731 0.295 1.00 0.00 H new ATOM 372 N VAL A 26 -4.343 -5.643 -0.249 1.00 0.00 N ATOM 373 CA VAL A 26 -5.191 -4.741 -1.023 1.00 0.00 C ATOM 374 C VAL A 26 -5.641 -3.541 -0.190 1.00 0.00 C ATOM 375 O VAL A 26 -5.845 -3.654 1.022 1.00 0.00 O ATOM 376 CB VAL A 26 -6.436 -5.485 -1.559 1.00 0.00 C ATOM 377 CG1 VAL A 26 -7.282 -6.022 -0.412 1.00 0.00 C ATOM 378 CG2 VAL A 26 -7.260 -4.584 -2.467 1.00 0.00 C ATOM 0 H VAL A 26 -4.600 -5.722 0.735 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.594 -4.380 -1.861 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.093 -6.333 -2.151 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.152 -6.541 -0.814 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.689 -6.715 0.184 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -7.612 -5.194 0.216 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.130 -5.131 -2.831 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.590 -3.708 -1.908 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.651 -4.266 -3.314 1.00 0.00 H new ATOM 388 N LEU A 27 -5.807 -2.395 -0.852 1.00 0.00 N ATOM 389 CA LEU A 27 -6.249 -1.177 -0.180 1.00 0.00 C ATOM 390 C LEU A 27 -7.739 -1.262 0.145 1.00 0.00 C ATOM 391 O LEU A 27 -8.585 -0.884 -0.669 1.00 0.00 O ATOM 392 CB LEU A 27 -5.967 0.055 -1.050 1.00 0.00 C ATOM 393 CG LEU A 27 -4.563 0.646 -0.907 1.00 0.00 C ATOM 394 CD1 LEU A 27 -3.550 -0.198 -1.665 1.00 0.00 C ATOM 395 CD2 LEU A 27 -4.535 2.084 -1.404 1.00 0.00 C ATOM 0 H LEU A 27 -5.641 -2.287 -1.853 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.690 -1.077 0.751 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.126 -0.213 -2.094 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.696 0.828 -0.805 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.295 0.642 0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.557 0.237 -1.552 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -3.549 -1.212 -1.265 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.817 -0.225 -2.722 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.528 2.487 -1.294 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.824 2.112 -2.454 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.232 2.685 -0.820 1.00 0.00 H new ATOM 407 N SER A 28 -8.046 -1.771 1.338 1.00 0.00 N ATOM 408 CA SER A 28 -9.431 -1.925 1.792 1.00 0.00 C ATOM 409 C SER A 28 -10.220 -0.625 1.643 1.00 0.00 C ATOM 410 O SER A 28 -11.365 -0.635 1.189 1.00 0.00 O ATOM 411 CB SER A 28 -9.469 -2.386 3.253 1.00 0.00 C ATOM 412 OG SER A 28 -8.541 -3.433 3.485 1.00 0.00 O ATOM 0 H SER A 28 -7.349 -2.086 2.013 1.00 0.00 H new ATOM 0 HA SER A 28 -9.897 -2.682 1.161 1.00 0.00 H new ATOM 0 HB2 SER A 28 -9.243 -1.545 3.908 1.00 0.00 H new ATOM 0 HB3 SER A 28 -10.474 -2.725 3.504 1.00 0.00 H new ATOM 0 HG SER A 28 -7.714 -3.061 3.857 1.00 0.00 H new ATOM 418 N CYS A 29 -9.599 0.490 2.028 1.00 0.00 N ATOM 419 CA CYS A 29 -10.236 1.803 1.937 1.00 0.00 C ATOM 420 C CYS A 29 -9.235 2.919 2.236 1.00 0.00 C ATOM 421 O CYS A 29 -8.215 2.689 2.885 1.00 0.00 O ATOM 422 CB CYS A 29 -11.419 1.894 2.906 1.00 0.00 C ATOM 423 SG CYS A 29 -12.663 3.123 2.446 1.00 0.00 S ATOM 0 H CYS A 29 -8.652 0.509 2.407 1.00 0.00 H new ATOM 0 HA CYS A 29 -10.600 1.927 0.917 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -11.897 0.917 2.971 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -11.042 2.131 3.901 1.00 0.00 H new ATOM 0 HG CYS A 29 -13.621 3.121 3.325 1.00 0.00 H new ATOM 429 N VAL A 30 -9.540 4.127 1.761 1.00 0.00 N ATOM 430 CA VAL A 30 -8.671 5.281 1.977 1.00 0.00 C ATOM 431 C VAL A 30 -9.487 6.512 2.379 1.00 0.00 C ATOM 432 O VAL A 30 -10.664 6.627 2.030 1.00 0.00 O ATOM 433 CB VAL A 30 -7.838 5.606 0.712 1.00 0.00 C ATOM 434 CG1 VAL A 30 -6.755 6.633 1.022 1.00 0.00 C ATOM 435 CG2 VAL A 30 -7.220 4.341 0.133 1.00 0.00 C ATOM 0 H VAL A 30 -10.383 4.330 1.224 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.989 5.022 2.787 1.00 0.00 H new ATOM 0 HB VAL A 30 -8.511 6.033 -0.032 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.184 6.844 0.118 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -7.217 7.552 1.382 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.088 6.238 1.788 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -6.640 4.593 -0.755 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -6.567 3.882 0.875 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -8.010 3.641 -0.137 1.00 0.00 H new ATOM 445 N MET A 31 -8.850 7.428 3.114 1.00 0.00 N ATOM 446 CA MET A 31 -9.506 8.648 3.562 1.00 0.00 C ATOM 447 C MET A 31 -9.042 9.843 2.740 1.00 0.00 C ATOM 448 O MET A 31 -7.923 10.339 2.905 1.00 0.00 O ATOM 449 CB MET A 31 -9.262 8.892 5.057 1.00 0.00 C ATOM 450 CG MET A 31 -7.802 9.086 5.442 1.00 0.00 C ATOM 451 SD MET A 31 -7.514 8.837 7.207 1.00 0.00 S ATOM 452 CE MET A 31 -7.848 7.085 7.366 1.00 0.00 C ATOM 0 H MET A 31 -7.877 7.342 3.409 1.00 0.00 H new ATOM 0 HA MET A 31 -10.579 8.524 3.413 1.00 0.00 H new ATOM 0 HB2 MET A 31 -9.824 9.774 5.363 1.00 0.00 H new ATOM 0 HB3 MET A 31 -9.662 8.048 5.619 1.00 0.00 H new ATOM 0 HG2 MET A 31 -7.184 8.390 4.875 1.00 0.00 H new ATOM 0 HG3 MET A 31 -7.487 10.092 5.164 1.00 0.00 H new ATOM 0 HE1 MET A 31 -8.746 6.939 7.966 1.00 0.00 H new ATOM 0 HE2 MET A 31 -7.998 6.652 6.377 1.00 0.00 H new ATOM 0 HE3 MET A 31 -7.003 6.596 7.852 1.00 0.00 H new ATOM 462 N ARG A 32 -9.920 10.285 1.849 1.00 0.00 N ATOM 463 CA ARG A 32 -9.649 11.420 0.970 1.00 0.00 C ATOM 464 C ARG A 32 -9.058 12.591 1.751 1.00 0.00 C ATOM 465 O ARG A 32 -9.653 13.072 2.718 1.00 0.00 O ATOM 466 CB ARG A 32 -10.933 11.858 0.259 1.00 0.00 C ATOM 467 CG ARG A 32 -11.127 11.210 -1.104 1.00 0.00 C ATOM 468 CD ARG A 32 -12.603 11.031 -1.435 1.00 0.00 C ATOM 469 NE ARG A 32 -12.886 11.282 -2.849 1.00 0.00 N ATOM 470 CZ ARG A 32 -14.102 11.559 -3.333 1.00 0.00 C ATOM 471 NH1 ARG A 32 -15.156 11.618 -2.522 1.00 0.00 N ATOM 472 NH2 ARG A 32 -14.261 11.776 -4.633 1.00 0.00 N ATOM 0 H ARG A 32 -10.841 9.868 1.714 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.919 11.103 0.225 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -11.788 11.618 0.891 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -10.920 12.941 0.138 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -10.654 11.824 -1.870 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -10.630 10.240 -1.121 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -12.911 10.017 -1.179 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -13.196 11.709 -0.821 1.00 0.00 H new ATOM 0 HE ARG A 32 -12.107 11.243 -3.507 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -15.040 11.451 -1.522 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -16.079 11.830 -2.900 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -13.457 11.731 -5.260 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -15.187 11.987 -5.005 1.00 0.00 H new ATOM 486 N GLY A 33 -7.877 13.037 1.329 1.00 0.00 N ATOM 487 CA GLY A 33 -7.207 14.137 1.999 1.00 0.00 C ATOM 488 C GLY A 33 -5.958 13.701 2.753 1.00 0.00 C ATOM 489 O GLY A 33 -5.448 14.440 3.596 1.00 0.00 O ATOM 0 H GLY A 33 -7.371 12.653 0.531 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.935 14.893 1.262 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.900 14.607 2.696 1.00 0.00 H new ATOM 493 N SER A 34 -5.460 12.502 2.440 1.00 0.00 N ATOM 494 CA SER A 34 -4.261 11.972 3.077 1.00 0.00 C ATOM 495 C SER A 34 -3.166 11.759 2.030 1.00 0.00 C ATOM 496 O SER A 34 -3.448 11.750 0.829 1.00 0.00 O ATOM 497 CB SER A 34 -4.580 10.653 3.790 1.00 0.00 C ATOM 498 OG SER A 34 -4.864 10.867 5.163 1.00 0.00 O ATOM 0 H SER A 34 -5.874 11.880 1.745 1.00 0.00 H new ATOM 0 HA SER A 34 -3.906 12.689 3.817 1.00 0.00 H new ATOM 0 HB2 SER A 34 -5.433 10.174 3.310 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.736 9.971 3.693 1.00 0.00 H new ATOM 0 HG SER A 34 -5.066 10.010 5.593 1.00 0.00 H new ATOM 504 N PRO A 35 -1.899 11.573 2.462 1.00 0.00 N ATOM 505 CA PRO A 35 -0.769 11.352 1.545 1.00 0.00 C ATOM 506 C PRO A 35 -1.033 10.219 0.547 1.00 0.00 C ATOM 507 O PRO A 35 -0.492 10.222 -0.558 1.00 0.00 O ATOM 508 CB PRO A 35 0.403 10.992 2.473 1.00 0.00 C ATOM 509 CG PRO A 35 -0.205 10.738 3.812 1.00 0.00 C ATOM 510 CD PRO A 35 -1.462 11.558 3.866 1.00 0.00 C ATOM 0 HA PRO A 35 -0.579 12.232 0.930 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.933 10.111 2.110 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.129 11.804 2.520 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.426 9.679 3.944 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.480 11.023 4.611 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -2.211 11.109 4.518 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.274 12.564 4.242 1.00 0.00 H new ATOM 518 N ALA A 36 -1.871 9.261 0.948 1.00 0.00 N ATOM 519 CA ALA A 36 -2.216 8.128 0.091 1.00 0.00 C ATOM 520 C ALA A 36 -3.074 8.572 -1.092 1.00 0.00 C ATOM 521 O ALA A 36 -2.783 8.238 -2.241 1.00 0.00 O ATOM 522 CB ALA A 36 -2.944 7.057 0.897 1.00 0.00 C ATOM 0 H ALA A 36 -2.323 9.248 1.862 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.290 7.709 -0.301 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.195 6.219 0.246 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.300 6.709 1.705 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.858 7.476 1.317 1.00 0.00 H new ATOM 528 N ASP A 37 -4.132 9.325 -0.799 1.00 0.00 N ATOM 529 CA ASP A 37 -5.042 9.818 -1.832 1.00 0.00 C ATOM 530 C ASP A 37 -4.349 10.830 -2.743 1.00 0.00 C ATOM 531 O ASP A 37 -4.624 10.886 -3.943 1.00 0.00 O ATOM 532 CB ASP A 37 -6.280 10.457 -1.197 1.00 0.00 C ATOM 533 CG ASP A 37 -7.504 10.361 -2.088 1.00 0.00 C ATOM 534 OD1 ASP A 37 -7.650 11.210 -2.994 1.00 0.00 O ATOM 535 OD2 ASP A 37 -8.319 9.439 -1.880 1.00 0.00 O ATOM 0 H ASP A 37 -4.381 9.608 0.149 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.349 8.964 -2.436 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.489 9.970 -0.245 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.073 11.505 -0.980 1.00 0.00 H new ATOM 540 N PHE A 38 -3.455 11.630 -2.162 1.00 0.00 N ATOM 541 CA PHE A 38 -2.720 12.653 -2.915 1.00 0.00 C ATOM 542 C PHE A 38 -1.962 12.049 -4.099 1.00 0.00 C ATOM 543 O PHE A 38 -1.812 12.697 -5.136 1.00 0.00 O ATOM 544 CB PHE A 38 -1.740 13.390 -1.998 1.00 0.00 C ATOM 545 CG PHE A 38 -2.388 14.103 -0.838 1.00 0.00 C ATOM 546 CD1 PHE A 38 -3.730 14.456 -0.869 1.00 0.00 C ATOM 547 CD2 PHE A 38 -1.644 14.421 0.287 1.00 0.00 C ATOM 548 CE1 PHE A 38 -4.314 15.111 0.199 1.00 0.00 C ATOM 549 CE2 PHE A 38 -2.224 15.075 1.356 1.00 0.00 C ATOM 550 CZ PHE A 38 -3.559 15.421 1.313 1.00 0.00 C ATOM 0 H PHE A 38 -3.220 11.591 -1.170 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.453 13.358 -3.306 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.016 12.674 -1.610 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.184 14.116 -2.590 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.325 14.216 -1.738 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.598 14.154 0.328 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -5.359 15.380 0.162 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -1.632 15.316 2.227 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.013 15.933 2.149 1.00 0.00 H new ATOM 560 N VAL A 39 -1.488 10.813 -3.944 1.00 0.00 N ATOM 561 CA VAL A 39 -0.750 10.136 -5.012 1.00 0.00 C ATOM 562 C VAL A 39 -1.699 9.364 -5.928 1.00 0.00 C ATOM 563 O VAL A 39 -1.474 9.279 -7.137 1.00 0.00 O ATOM 564 CB VAL A 39 0.311 9.163 -4.452 1.00 0.00 C ATOM 565 CG1 VAL A 39 1.228 8.680 -5.567 1.00 0.00 C ATOM 566 CG2 VAL A 39 1.116 9.818 -3.337 1.00 0.00 C ATOM 0 H VAL A 39 -1.601 10.261 -3.093 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.243 10.914 -5.582 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.205 8.300 -4.030 1.00 0.00 H new ATOM 0 HG11 VAL A 39 1.970 7.995 -5.157 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.639 8.164 -6.325 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.733 9.534 -6.019 1.00 0.00 H new ATOM 0 HG21 VAL A 39 1.856 9.112 -2.960 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.622 10.702 -3.725 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.447 10.109 -2.528 1.00 0.00 H new ATOM 576 N GLY A 40 -2.759 8.806 -5.345 1.00 0.00 N ATOM 577 CA GLY A 40 -3.730 8.054 -6.122 1.00 0.00 C ATOM 578 C GLY A 40 -4.074 6.709 -5.507 1.00 0.00 C ATOM 579 O GLY A 40 -4.168 5.704 -6.215 1.00 0.00 O ATOM 0 H GLY A 40 -2.962 8.862 -4.347 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.641 8.644 -6.223 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.339 7.897 -7.127 1.00 0.00 H new ATOM 583 N LEU A 41 -4.268 6.691 -4.188 1.00 0.00 N ATOM 584 CA LEU A 41 -4.615 5.467 -3.474 1.00 0.00 C ATOM 585 C LEU A 41 -6.069 5.508 -3.018 1.00 0.00 C ATOM 586 O LEU A 41 -6.466 6.406 -2.269 1.00 0.00 O ATOM 587 CB LEU A 41 -3.698 5.274 -2.260 1.00 0.00 C ATOM 588 CG LEU A 41 -2.224 5.008 -2.583 1.00 0.00 C ATOM 589 CD1 LEU A 41 -1.437 4.752 -1.306 1.00 0.00 C ATOM 590 CD2 LEU A 41 -2.087 3.831 -3.537 1.00 0.00 C ATOM 0 H LEU A 41 -4.190 7.515 -3.592 1.00 0.00 H new ATOM 0 HA LEU A 41 -4.481 4.627 -4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.760 6.165 -1.634 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.078 4.442 -1.668 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.815 5.893 -3.070 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.392 4.565 -1.554 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.505 5.624 -0.656 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.849 3.883 -0.793 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.033 3.659 -3.753 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.513 2.939 -3.078 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.617 4.051 -4.464 1.00 0.00 H new ATOM 602 N ARG A 42 -6.858 4.533 -3.469 1.00 0.00 N ATOM 603 CA ARG A 42 -8.261 4.447 -3.110 1.00 0.00 C ATOM 604 C ARG A 42 -8.607 3.014 -2.687 1.00 0.00 C ATOM 605 O ARG A 42 -7.740 2.277 -2.216 1.00 0.00 O ATOM 606 CB ARG A 42 -9.133 4.904 -4.290 1.00 0.00 C ATOM 607 CG ARG A 42 -9.090 3.969 -5.495 1.00 0.00 C ATOM 608 CD ARG A 42 -10.482 3.718 -6.055 1.00 0.00 C ATOM 609 NE ARG A 42 -10.718 4.458 -7.294 1.00 0.00 N ATOM 610 CZ ARG A 42 -10.265 4.078 -8.494 1.00 0.00 C ATOM 611 NH1 ARG A 42 -9.538 2.968 -8.622 1.00 0.00 N ATOM 612 NH2 ARG A 42 -10.540 4.811 -9.569 1.00 0.00 N ATOM 0 H ARG A 42 -6.539 3.788 -4.089 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.460 5.107 -2.265 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -10.165 4.995 -3.951 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.811 5.897 -4.603 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -8.457 4.401 -6.270 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.637 3.021 -5.205 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.611 2.652 -6.240 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -11.228 4.005 -5.314 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.263 5.319 -7.240 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.323 2.401 -7.801 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -9.196 2.685 -9.541 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.096 5.662 -9.478 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -10.195 4.523 -10.485 1.00 0.00 H new ATOM 626 N ALA A 43 -9.863 2.627 -2.867 1.00 0.00 N ATOM 627 CA ALA A 43 -10.314 1.285 -2.511 1.00 0.00 C ATOM 628 C ALA A 43 -10.344 0.381 -3.737 1.00 0.00 C ATOM 629 O ALA A 43 -10.904 0.749 -4.773 1.00 0.00 O ATOM 630 CB ALA A 43 -11.691 1.339 -1.864 1.00 0.00 C ATOM 0 H ALA A 43 -10.591 3.225 -3.259 1.00 0.00 H new ATOM 0 HA ALA A 43 -9.606 0.869 -1.794 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.011 0.330 -1.605 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.645 1.948 -0.961 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -12.404 1.778 -2.562 1.00 0.00 H new ATOM 636 N GLY A 44 -9.740 -0.801 -3.619 1.00 0.00 N ATOM 637 CA GLY A 44 -9.711 -1.739 -4.729 1.00 0.00 C ATOM 638 C GLY A 44 -8.312 -1.970 -5.282 1.00 0.00 C ATOM 639 O GLY A 44 -8.032 -3.036 -5.834 1.00 0.00 O ATOM 0 H GLY A 44 -9.270 -1.125 -2.774 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.127 -2.692 -4.402 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -10.354 -1.367 -5.527 1.00 0.00 H new ATOM 643 N ASP A 45 -7.431 -0.971 -5.140 1.00 0.00 N ATOM 644 CA ASP A 45 -6.059 -1.076 -5.633 1.00 0.00 C ATOM 645 C ASP A 45 -5.338 -2.273 -5.005 1.00 0.00 C ATOM 646 O ASP A 45 -5.199 -2.351 -3.781 1.00 0.00 O ATOM 647 CB ASP A 45 -5.285 0.215 -5.336 1.00 0.00 C ATOM 648 CG ASP A 45 -5.483 1.278 -6.403 1.00 0.00 C ATOM 649 OD1 ASP A 45 -5.268 0.974 -7.597 1.00 0.00 O ATOM 650 OD2 ASP A 45 -5.848 2.418 -6.044 1.00 0.00 O ATOM 0 H ASP A 45 -7.648 -0.083 -4.687 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.101 -1.227 -6.712 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -5.604 0.611 -4.372 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.223 -0.015 -5.251 1.00 0.00 H new ATOM 655 N GLN A 46 -4.883 -3.200 -5.851 1.00 0.00 N ATOM 656 CA GLN A 46 -4.181 -4.391 -5.380 1.00 0.00 C ATOM 657 C GLN A 46 -2.717 -4.073 -5.080 1.00 0.00 C ATOM 658 O GLN A 46 -1.997 -3.555 -5.936 1.00 0.00 O ATOM 659 CB GLN A 46 -4.271 -5.519 -6.417 1.00 0.00 C ATOM 660 CG GLN A 46 -4.904 -6.795 -5.878 1.00 0.00 C ATOM 661 CD GLN A 46 -3.941 -7.971 -5.854 1.00 0.00 C ATOM 662 OE1 GLN A 46 -2.723 -7.796 -5.914 1.00 0.00 O ATOM 663 NE2 GLN A 46 -4.483 -9.181 -5.765 1.00 0.00 N ATOM 0 H GLN A 46 -4.989 -3.147 -6.864 1.00 0.00 H new ATOM 0 HA GLN A 46 -4.662 -4.722 -4.460 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.850 -5.170 -7.272 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -3.269 -5.746 -6.782 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -5.272 -6.613 -4.868 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -5.768 -7.052 -6.491 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -5.497 -9.283 -5.717 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -3.885 -10.007 -5.744 1.00 0.00 H new ATOM 672 N ILE A 47 -2.286 -4.389 -3.861 1.00 0.00 N ATOM 673 CA ILE A 47 -0.912 -4.144 -3.434 1.00 0.00 C ATOM 674 C ILE A 47 -0.005 -5.307 -3.837 1.00 0.00 C ATOM 675 O ILE A 47 -0.292 -6.464 -3.525 1.00 0.00 O ATOM 676 CB ILE A 47 -0.824 -3.936 -1.905 1.00 0.00 C ATOM 677 CG1 ILE A 47 -1.897 -2.947 -1.429 1.00 0.00 C ATOM 678 CG2 ILE A 47 0.562 -3.451 -1.512 1.00 0.00 C ATOM 679 CD1 ILE A 47 -2.032 -2.874 0.078 1.00 0.00 C ATOM 0 H ILE A 47 -2.874 -4.819 -3.147 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.578 -3.233 -3.931 1.00 0.00 H new ATOM 0 HB ILE A 47 -1.004 -4.895 -1.419 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.659 -1.955 -1.812 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.858 -3.233 -1.858 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.605 -3.310 -0.432 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.305 -4.190 -1.812 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.771 -2.504 -2.010 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.809 -2.155 0.339 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.301 -3.856 0.467 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.084 -2.558 0.513 1.00 0.00 H new ATOM 691 N LEU A 48 1.084 -4.994 -4.540 1.00 0.00 N ATOM 692 CA LEU A 48 2.027 -6.014 -4.991 1.00 0.00 C ATOM 693 C LEU A 48 3.336 -5.947 -4.206 1.00 0.00 C ATOM 694 O LEU A 48 3.623 -6.821 -3.388 1.00 0.00 O ATOM 695 CB LEU A 48 2.301 -5.859 -6.493 1.00 0.00 C ATOM 696 CG LEU A 48 1.105 -6.150 -7.404 1.00 0.00 C ATOM 697 CD1 LEU A 48 0.230 -4.912 -7.553 1.00 0.00 C ATOM 698 CD2 LEU A 48 1.577 -6.636 -8.766 1.00 0.00 C ATOM 0 H LEU A 48 1.334 -4.042 -4.809 1.00 0.00 H new ATOM 0 HA LEU A 48 1.576 -6.990 -4.810 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.642 -4.841 -6.681 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.118 -6.525 -6.768 1.00 0.00 H new ATOM 0 HG LEU A 48 0.509 -6.938 -6.945 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -0.614 -5.139 -8.204 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -0.139 -4.607 -6.574 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.816 -4.103 -7.988 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.713 -6.838 -9.400 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.197 -5.870 -9.231 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.159 -7.549 -8.645 1.00 0.00 H new ATOM 710 N ALA A 49 4.126 -4.906 -4.462 1.00 0.00 N ATOM 711 CA ALA A 49 5.407 -4.721 -3.782 1.00 0.00 C ATOM 712 C ALA A 49 5.260 -3.762 -2.602 1.00 0.00 C ATOM 713 O ALA A 49 4.755 -2.647 -2.753 1.00 0.00 O ATOM 714 CB ALA A 49 6.461 -4.214 -4.756 1.00 0.00 C ATOM 0 H ALA A 49 3.901 -4.176 -5.137 1.00 0.00 H new ATOM 0 HA ALA A 49 5.731 -5.688 -3.397 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.408 -4.082 -4.232 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.590 -4.937 -5.561 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.141 -3.259 -5.173 1.00 0.00 H new ATOM 720 N VAL A 50 5.703 -4.205 -1.429 1.00 0.00 N ATOM 721 CA VAL A 50 5.629 -3.400 -0.215 1.00 0.00 C ATOM 722 C VAL A 50 7.023 -3.160 0.345 1.00 0.00 C ATOM 723 O VAL A 50 7.629 -4.059 0.931 1.00 0.00 O ATOM 724 CB VAL A 50 4.756 -4.080 0.863 1.00 0.00 C ATOM 725 CG1 VAL A 50 4.440 -3.110 1.998 1.00 0.00 C ATOM 726 CG2 VAL A 50 3.474 -4.624 0.245 1.00 0.00 C ATOM 0 H VAL A 50 6.121 -5.126 -1.294 1.00 0.00 H new ATOM 0 HA VAL A 50 5.170 -2.448 -0.482 1.00 0.00 H new ATOM 0 HB VAL A 50 5.318 -4.915 1.281 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.824 -3.612 2.745 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.369 -2.775 2.459 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.901 -2.250 1.602 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.871 -5.100 1.018 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.910 -3.806 -0.203 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.723 -5.356 -0.523 1.00 0.00 H new ATOM 736 N ASN A 51 7.541 -1.950 0.131 1.00 0.00 N ATOM 737 CA ASN A 51 8.881 -1.586 0.585 1.00 0.00 C ATOM 738 C ASN A 51 9.926 -2.209 -0.341 1.00 0.00 C ATOM 739 O ASN A 51 11.027 -2.552 0.089 1.00 0.00 O ATOM 740 CB ASN A 51 9.105 -2.029 2.039 1.00 0.00 C ATOM 741 CG ASN A 51 9.813 -0.976 2.877 1.00 0.00 C ATOM 742 OD1 ASN A 51 10.107 0.122 2.405 1.00 0.00 O ATOM 743 ND2 ASN A 51 10.088 -1.309 4.136 1.00 0.00 N ATOM 0 H ASN A 51 7.048 -1.202 -0.357 1.00 0.00 H new ATOM 0 HA ASN A 51 8.982 -0.501 0.551 1.00 0.00 H new ATOM 0 HB2 ASN A 51 8.143 -2.262 2.495 1.00 0.00 H new ATOM 0 HB3 ASN A 51 9.692 -2.947 2.047 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.559 -0.643 4.748 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.827 -2.230 4.489 1.00 0.00 H new ATOM 750 N GLU A 52 9.548 -2.345 -1.621 1.00 0.00 N ATOM 751 CA GLU A 52 10.403 -2.912 -2.668 1.00 0.00 C ATOM 752 C GLU A 52 10.336 -4.448 -2.725 1.00 0.00 C ATOM 753 O GLU A 52 10.934 -5.058 -3.615 1.00 0.00 O ATOM 754 CB GLU A 52 11.860 -2.424 -2.529 1.00 0.00 C ATOM 755 CG GLU A 52 12.823 -3.426 -1.896 1.00 0.00 C ATOM 756 CD GLU A 52 14.237 -3.277 -2.421 1.00 0.00 C ATOM 757 OE1 GLU A 52 15.005 -2.480 -1.839 1.00 0.00 O ATOM 758 OE2 GLU A 52 14.578 -3.953 -3.415 1.00 0.00 O ATOM 0 H GLU A 52 8.629 -2.060 -1.959 1.00 0.00 H new ATOM 0 HA GLU A 52 10.010 -2.547 -3.617 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.234 -2.160 -3.518 1.00 0.00 H new ATOM 0 HB3 GLU A 52 11.866 -1.512 -1.932 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.824 -3.292 -0.814 1.00 0.00 H new ATOM 0 HG3 GLU A 52 12.470 -4.439 -2.092 1.00 0.00 H new ATOM 765 N ILE A 53 9.606 -5.077 -1.796 1.00 0.00 N ATOM 766 CA ILE A 53 9.490 -6.535 -1.788 1.00 0.00 C ATOM 767 C ILE A 53 8.078 -6.992 -2.169 1.00 0.00 C ATOM 768 O ILE A 53 7.085 -6.481 -1.649 1.00 0.00 O ATOM 769 CB ILE A 53 9.884 -7.132 -0.414 1.00 0.00 C ATOM 770 CG1 ILE A 53 8.868 -6.752 0.668 1.00 0.00 C ATOM 771 CG2 ILE A 53 11.280 -6.669 -0.018 1.00 0.00 C ATOM 772 CD1 ILE A 53 8.150 -7.945 1.265 1.00 0.00 C ATOM 0 H ILE A 53 9.094 -4.605 -1.051 1.00 0.00 H new ATOM 0 HA ILE A 53 10.187 -6.907 -2.539 1.00 0.00 H new ATOM 0 HB ILE A 53 9.885 -8.218 -0.506 1.00 0.00 H new ATOM 0 HG12 ILE A 53 9.381 -6.211 1.463 1.00 0.00 H new ATOM 0 HG13 ILE A 53 8.132 -6.070 0.242 1.00 0.00 H new ATOM 0 HG21 ILE A 53 11.544 -7.096 0.950 1.00 0.00 H new ATOM 0 HG22 ILE A 53 11.999 -6.998 -0.768 1.00 0.00 H new ATOM 0 HG23 ILE A 53 11.297 -5.581 0.049 1.00 0.00 H new ATOM 0 HD11 ILE A 53 7.446 -7.604 2.024 1.00 0.00 H new ATOM 0 HD12 ILE A 53 7.609 -8.474 0.480 1.00 0.00 H new ATOM 0 HD13 ILE A 53 8.877 -8.617 1.721 1.00 0.00 H new ATOM 784 N ASN A 54 8.004 -7.955 -3.089 1.00 0.00 N ATOM 785 CA ASN A 54 6.732 -8.491 -3.563 1.00 0.00 C ATOM 786 C ASN A 54 6.053 -9.349 -2.500 1.00 0.00 C ATOM 787 O ASN A 54 6.713 -10.046 -1.729 1.00 0.00 O ATOM 788 CB ASN A 54 6.941 -9.319 -4.837 1.00 0.00 C ATOM 789 CG ASN A 54 7.846 -10.524 -4.617 1.00 0.00 C ATOM 790 OD1 ASN A 54 9.030 -10.377 -4.319 1.00 0.00 O ATOM 791 ND2 ASN A 54 7.290 -11.724 -4.764 1.00 0.00 N ATOM 0 H ASN A 54 8.822 -8.382 -3.524 1.00 0.00 H new ATOM 0 HA ASN A 54 6.083 -7.643 -3.783 1.00 0.00 H new ATOM 0 HB2 ASN A 54 5.974 -9.660 -5.206 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.372 -8.684 -5.611 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.850 -12.566 -4.629 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.304 -11.802 -5.012 1.00 0.00 H new ATOM 798 N VAL A 55 4.726 -9.288 -2.478 1.00 0.00 N ATOM 799 CA VAL A 55 3.927 -10.055 -1.522 1.00 0.00 C ATOM 800 C VAL A 55 2.595 -10.498 -2.136 1.00 0.00 C ATOM 801 O VAL A 55 1.520 -10.129 -1.654 1.00 0.00 O ATOM 802 CB VAL A 55 3.652 -9.238 -0.240 1.00 0.00 C ATOM 803 CG1 VAL A 55 4.902 -9.147 0.623 1.00 0.00 C ATOM 804 CG2 VAL A 55 3.137 -7.848 -0.589 1.00 0.00 C ATOM 0 H VAL A 55 4.176 -8.712 -3.115 1.00 0.00 H new ATOM 0 HA VAL A 55 4.508 -10.940 -1.262 1.00 0.00 H new ATOM 0 HB VAL A 55 2.882 -9.755 0.333 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.684 -8.567 1.520 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.221 -10.150 0.908 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.698 -8.659 0.060 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.949 -7.289 0.328 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.882 -7.324 -1.188 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.211 -7.935 -1.157 1.00 0.00 H new ATOM 814 N LYS A 56 2.674 -11.294 -3.203 1.00 0.00 N ATOM 815 CA LYS A 56 1.475 -11.789 -3.889 1.00 0.00 C ATOM 816 C LYS A 56 0.521 -12.466 -2.907 1.00 0.00 C ATOM 817 O LYS A 56 -0.682 -12.194 -2.913 1.00 0.00 O ATOM 818 CB LYS A 56 1.844 -12.767 -5.015 1.00 0.00 C ATOM 819 CG LYS A 56 2.985 -12.292 -5.907 1.00 0.00 C ATOM 820 CD LYS A 56 2.793 -12.744 -7.346 1.00 0.00 C ATOM 821 CE LYS A 56 2.321 -11.602 -8.236 1.00 0.00 C ATOM 822 NZ LYS A 56 2.980 -11.622 -9.573 1.00 0.00 N ATOM 0 H LYS A 56 3.553 -11.611 -3.612 1.00 0.00 H new ATOM 0 HA LYS A 56 0.973 -10.927 -4.327 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.118 -13.725 -4.573 1.00 0.00 H new ATOM 0 HB3 LYS A 56 0.963 -12.941 -5.633 1.00 0.00 H new ATOM 0 HG2 LYS A 56 3.047 -11.204 -5.871 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.931 -12.678 -5.526 1.00 0.00 H new ATOM 0 HD2 LYS A 56 3.732 -13.141 -7.731 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.066 -13.556 -7.379 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.240 -11.666 -8.364 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.528 -10.651 -7.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.629 -10.828 -10.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.009 -11.535 -9.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.762 -12.518 -10.054 1.00 0.00 H new ATOM 836 N LYS A 57 1.066 -13.336 -2.059 1.00 0.00 N ATOM 837 CA LYS A 57 0.268 -14.045 -1.060 1.00 0.00 C ATOM 838 C LYS A 57 1.021 -14.147 0.273 1.00 0.00 C ATOM 839 O LYS A 57 0.941 -15.167 0.965 1.00 0.00 O ATOM 840 CB LYS A 57 -0.109 -15.446 -1.560 1.00 0.00 C ATOM 841 CG LYS A 57 -0.666 -15.467 -2.974 1.00 0.00 C ATOM 842 CD LYS A 57 -1.645 -16.615 -3.170 1.00 0.00 C ATOM 843 CE LYS A 57 -3.071 -16.116 -3.351 1.00 0.00 C ATOM 844 NZ LYS A 57 -3.207 -15.196 -4.520 1.00 0.00 N ATOM 0 H LYS A 57 2.059 -13.567 -2.044 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.646 -13.474 -0.898 1.00 0.00 H new ATOM 0 HB2 LYS A 57 0.773 -16.085 -1.518 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.847 -15.876 -0.883 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.166 -14.521 -3.183 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.153 -15.560 -3.688 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.351 -17.199 -4.042 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.600 -17.282 -2.309 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.738 -16.968 -3.483 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.390 -15.599 -2.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.164 -15.279 -4.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.044 -14.216 -4.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -2.507 -15.451 -5.246 1.00 0.00 H new ATOM 858 N ALA A 58 1.750 -13.084 0.626 1.00 0.00 N ATOM 859 CA ALA A 58 2.515 -13.054 1.867 1.00 0.00 C ATOM 860 C ALA A 58 1.605 -12.861 3.080 1.00 0.00 C ATOM 861 O ALA A 58 0.380 -12.840 2.950 1.00 0.00 O ATOM 862 CB ALA A 58 3.566 -11.952 1.811 1.00 0.00 C ATOM 0 H ALA A 58 1.824 -12.234 0.066 1.00 0.00 H new ATOM 0 HA ALA A 58 3.015 -14.017 1.977 1.00 0.00 H new ATOM 0 HB1 ALA A 58 4.130 -11.940 2.743 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.244 -12.138 0.978 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.076 -10.989 1.671 1.00 0.00 H new ATOM 868 N SER A 59 2.210 -12.715 4.257 1.00 0.00 N ATOM 869 CA SER A 59 1.459 -12.521 5.487 1.00 0.00 C ATOM 870 C SER A 59 1.245 -11.051 5.768 1.00 0.00 C ATOM 871 O SER A 59 2.091 -10.205 5.468 1.00 0.00 O ATOM 872 CB SER A 59 2.173 -13.178 6.662 1.00 0.00 C ATOM 873 OG SER A 59 1.874 -14.561 6.736 1.00 0.00 O ATOM 0 H SER A 59 3.222 -12.728 4.381 1.00 0.00 H new ATOM 0 HA SER A 59 0.484 -12.992 5.359 1.00 0.00 H new ATOM 0 HB2 SER A 59 3.249 -13.041 6.559 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.877 -12.689 7.590 1.00 0.00 H new ATOM 0 HG SER A 59 2.346 -14.958 7.498 1.00 0.00 H new ATOM 879 N HIS A 60 0.096 -10.764 6.346 1.00 0.00 N ATOM 880 CA HIS A 60 -0.288 -9.407 6.686 1.00 0.00 C ATOM 881 C HIS A 60 0.677 -8.787 7.689 1.00 0.00 C ATOM 882 O HIS A 60 1.089 -7.639 7.529 1.00 0.00 O ATOM 883 CB HIS A 60 -1.706 -9.407 7.241 1.00 0.00 C ATOM 884 CG HIS A 60 -2.502 -8.216 6.823 1.00 0.00 C ATOM 885 ND1 HIS A 60 -3.137 -8.124 5.605 1.00 0.00 N ATOM 886 CD2 HIS A 60 -2.761 -7.056 7.470 1.00 0.00 C ATOM 887 CE1 HIS A 60 -3.754 -6.963 5.520 1.00 0.00 C ATOM 888 NE2 HIS A 60 -3.544 -6.294 6.640 1.00 0.00 N ATOM 0 H HIS A 60 -0.600 -11.467 6.594 1.00 0.00 H new ATOM 0 HA HIS A 60 -0.250 -8.800 5.781 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.218 -10.311 6.912 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.663 -9.443 8.330 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -2.416 -6.781 8.456 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -4.334 -6.617 4.677 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -3.905 -5.364 6.853 1.00 0.00 H new ATOM 897 N GLU A 61 1.039 -9.553 8.714 1.00 0.00 N ATOM 898 CA GLU A 61 1.966 -9.070 9.735 1.00 0.00 C ATOM 899 C GLU A 61 3.300 -8.671 9.113 1.00 0.00 C ATOM 900 O GLU A 61 3.864 -7.631 9.450 1.00 0.00 O ATOM 901 CB GLU A 61 2.191 -10.137 10.809 1.00 0.00 C ATOM 902 CG GLU A 61 1.269 -9.999 12.008 1.00 0.00 C ATOM 903 CD GLU A 61 1.966 -10.298 13.321 1.00 0.00 C ATOM 904 OE1 GLU A 61 2.284 -11.482 13.568 1.00 0.00 O ATOM 905 OE2 GLU A 61 2.199 -9.351 14.100 1.00 0.00 O ATOM 0 H GLU A 61 0.707 -10.506 8.860 1.00 0.00 H new ATOM 0 HA GLU A 61 1.521 -8.190 10.200 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.050 -11.122 10.365 1.00 0.00 H new ATOM 0 HB3 GLU A 61 3.225 -10.085 11.149 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.867 -8.986 12.037 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.422 -10.675 11.889 1.00 0.00 H new ATOM 912 N ASP A 62 3.788 -9.502 8.195 1.00 0.00 N ATOM 913 CA ASP A 62 5.049 -9.232 7.512 1.00 0.00 C ATOM 914 C ASP A 62 4.939 -7.967 6.669 1.00 0.00 C ATOM 915 O ASP A 62 5.839 -7.125 6.676 1.00 0.00 O ATOM 916 CB ASP A 62 5.442 -10.413 6.619 1.00 0.00 C ATOM 917 CG ASP A 62 6.938 -10.678 6.625 1.00 0.00 C ATOM 918 OD1 ASP A 62 7.718 -9.704 6.569 1.00 0.00 O ATOM 919 OD2 ASP A 62 7.327 -11.865 6.682 1.00 0.00 O ATOM 0 H ASP A 62 3.329 -10.367 7.908 1.00 0.00 H new ATOM 0 HA ASP A 62 5.820 -9.089 8.269 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.917 -11.308 6.954 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.116 -10.216 5.598 1.00 0.00 H new ATOM 924 N VAL A 63 3.827 -7.842 5.950 1.00 0.00 N ATOM 925 CA VAL A 63 3.586 -6.682 5.099 1.00 0.00 C ATOM 926 C VAL A 63 3.465 -5.408 5.930 1.00 0.00 C ATOM 927 O VAL A 63 4.003 -4.363 5.556 1.00 0.00 O ATOM 928 CB VAL A 63 2.316 -6.864 4.236 1.00 0.00 C ATOM 929 CG1 VAL A 63 2.075 -5.639 3.363 1.00 0.00 C ATOM 930 CG2 VAL A 63 2.428 -8.121 3.382 1.00 0.00 C ATOM 0 H VAL A 63 3.077 -8.533 5.940 1.00 0.00 H new ATOM 0 HA VAL A 63 4.445 -6.591 4.434 1.00 0.00 H new ATOM 0 HB VAL A 63 1.462 -6.976 4.903 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.176 -5.790 2.765 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.947 -4.761 3.996 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.929 -5.489 2.703 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.526 -8.234 2.781 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.294 -8.039 2.725 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.545 -8.991 4.028 1.00 0.00 H new ATOM 940 N VAL A 64 2.782 -5.502 7.071 1.00 0.00 N ATOM 941 CA VAL A 64 2.622 -4.363 7.964 1.00 0.00 C ATOM 942 C VAL A 64 3.973 -3.966 8.535 1.00 0.00 C ATOM 943 O VAL A 64 4.272 -2.782 8.687 1.00 0.00 O ATOM 944 CB VAL A 64 1.639 -4.659 9.118 1.00 0.00 C ATOM 945 CG1 VAL A 64 1.472 -3.437 10.011 1.00 0.00 C ATOM 946 CG2 VAL A 64 0.289 -5.114 8.576 1.00 0.00 C ATOM 0 H VAL A 64 2.332 -6.358 7.396 1.00 0.00 H new ATOM 0 HA VAL A 64 2.205 -3.544 7.378 1.00 0.00 H new ATOM 0 HB VAL A 64 2.056 -5.468 9.718 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.776 -3.668 10.817 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.438 -3.161 10.434 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.083 -2.606 9.422 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.387 -5.317 9.407 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.134 -4.330 7.947 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.421 -6.021 7.986 1.00 0.00 H new ATOM 956 N LYS A 65 4.789 -4.974 8.849 1.00 0.00 N ATOM 957 CA LYS A 65 6.114 -4.744 9.405 1.00 0.00 C ATOM 958 C LYS A 65 6.952 -3.871 8.473 1.00 0.00 C ATOM 959 O LYS A 65 7.668 -2.975 8.926 1.00 0.00 O ATOM 960 CB LYS A 65 6.829 -6.077 9.659 1.00 0.00 C ATOM 961 CG LYS A 65 7.316 -6.252 11.088 1.00 0.00 C ATOM 962 CD LYS A 65 6.397 -7.171 11.883 1.00 0.00 C ATOM 963 CE LYS A 65 7.187 -8.179 12.704 1.00 0.00 C ATOM 964 NZ LYS A 65 6.556 -9.529 12.696 1.00 0.00 N ATOM 0 H LYS A 65 4.550 -5.958 8.726 1.00 0.00 H new ATOM 0 HA LYS A 65 5.994 -4.221 10.354 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.151 -6.894 9.414 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.680 -6.156 8.983 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.326 -6.663 11.082 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.371 -5.279 11.577 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.769 -6.575 12.545 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.731 -7.699 11.201 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.201 -8.251 12.310 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.269 -7.824 13.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.128 -10.183 13.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.598 -9.467 13.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.501 -9.881 11.719 1.00 0.00 H new ATOM 978 N LEU A 66 6.847 -4.131 7.170 1.00 0.00 N ATOM 979 CA LEU A 66 7.586 -3.361 6.171 1.00 0.00 C ATOM 980 C LEU A 66 7.078 -1.924 6.116 1.00 0.00 C ATOM 981 O LEU A 66 7.866 -0.981 6.024 1.00 0.00 O ATOM 982 CB LEU A 66 7.467 -4.004 4.788 1.00 0.00 C ATOM 983 CG LEU A 66 7.831 -5.488 4.719 1.00 0.00 C ATOM 984 CD1 LEU A 66 7.090 -6.166 3.578 1.00 0.00 C ATOM 985 CD2 LEU A 66 9.337 -5.659 4.563 1.00 0.00 C ATOM 0 H LEU A 66 6.258 -4.868 6.782 1.00 0.00 H new ATOM 0 HA LEU A 66 8.636 -3.355 6.465 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.442 -3.882 4.437 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.108 -3.458 4.096 1.00 0.00 H new ATOM 0 HG LEU A 66 7.527 -5.964 5.652 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.361 -7.221 3.544 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.016 -6.072 3.735 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.361 -5.691 2.635 1.00 0.00 H new ATOM 0 HD21 LEU A 66 9.580 -6.721 4.515 1.00 0.00 H new ATOM 0 HD22 LEU A 66 9.666 -5.170 3.646 1.00 0.00 H new ATOM 0 HD23 LEU A 66 9.845 -5.209 5.416 1.00 0.00 H new ATOM 997 N ILE A 67 5.755 -1.766 6.173 1.00 0.00 N ATOM 998 CA ILE A 67 5.140 -0.444 6.132 1.00 0.00 C ATOM 999 C ILE A 67 5.458 0.344 7.398 1.00 0.00 C ATOM 1000 O ILE A 67 5.724 1.545 7.336 1.00 0.00 O ATOM 1001 CB ILE A 67 3.607 -0.528 5.953 1.00 0.00 C ATOM 1002 CG1 ILE A 67 3.257 -1.364 4.717 1.00 0.00 C ATOM 1003 CG2 ILE A 67 3.003 0.867 5.845 1.00 0.00 C ATOM 1004 CD1 ILE A 67 1.965 -2.142 4.856 1.00 0.00 C ATOM 0 H ILE A 67 5.092 -2.537 6.248 1.00 0.00 H new ATOM 0 HA ILE A 67 5.560 0.072 5.269 1.00 0.00 H new ATOM 0 HB ILE A 67 3.184 -1.017 6.831 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.183 -0.705 3.852 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.071 -2.061 4.518 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.923 0.787 5.719 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.222 1.430 6.752 1.00 0.00 H new ATOM 0 HG23 ILE A 67 3.431 1.383 4.986 1.00 0.00 H new ATOM 0 HD11 ILE A 67 1.782 -2.710 3.944 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.042 -2.827 5.700 1.00 0.00 H new ATOM 0 HD13 ILE A 67 1.140 -1.450 5.024 1.00 0.00 H new ATOM 1016 N GLY A 68 5.451 -0.341 8.541 1.00 0.00 N ATOM 1017 CA GLY A 68 5.765 0.311 9.802 1.00 0.00 C ATOM 1018 C GLY A 68 7.264 0.478 10.017 1.00 0.00 C ATOM 1019 O GLY A 68 7.703 0.831 11.115 1.00 0.00 O ATOM 0 H GLY A 68 5.234 -1.335 8.616 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.286 1.290 9.830 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.347 -0.272 10.622 1.00 0.00 H new ATOM 1023 N LYS A 69 8.053 0.234 8.964 1.00 0.00 N ATOM 1024 CA LYS A 69 9.502 0.360 9.028 1.00 0.00 C ATOM 1025 C LYS A 69 10.000 1.518 8.147 1.00 0.00 C ATOM 1026 O LYS A 69 11.181 1.869 8.190 1.00 0.00 O ATOM 1027 CB LYS A 69 10.148 -0.955 8.585 1.00 0.00 C ATOM 1028 CG LYS A 69 11.659 -0.994 8.767 1.00 0.00 C ATOM 1029 CD LYS A 69 12.078 -2.105 9.717 1.00 0.00 C ATOM 1030 CE LYS A 69 12.003 -1.657 11.171 1.00 0.00 C ATOM 1031 NZ LYS A 69 13.260 -0.988 11.621 1.00 0.00 N ATOM 0 H LYS A 69 7.701 -0.054 8.051 1.00 0.00 H new ATOM 0 HA LYS A 69 9.785 0.579 10.058 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.703 -1.775 9.149 1.00 0.00 H new ATOM 0 HB3 LYS A 69 9.914 -1.127 7.534 1.00 0.00 H new ATOM 0 HG2 LYS A 69 12.139 -1.141 7.800 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.005 -0.035 9.152 1.00 0.00 H new ATOM 0 HD2 LYS A 69 11.435 -2.973 9.569 1.00 0.00 H new ATOM 0 HD3 LYS A 69 13.096 -2.419 9.484 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.164 -0.972 11.295 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.806 -2.521 11.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 13.163 -0.700 12.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 14.058 -1.649 11.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 13.436 -0.148 11.033 1.00 0.00 H new ATOM 1045 N CYS A 70 9.095 2.102 7.352 1.00 0.00 N ATOM 1046 CA CYS A 70 9.432 3.210 6.464 1.00 0.00 C ATOM 1047 C CYS A 70 10.220 4.298 7.189 1.00 0.00 C ATOM 1048 O CYS A 70 11.265 4.744 6.713 1.00 0.00 O ATOM 1049 CB CYS A 70 8.151 3.792 5.858 1.00 0.00 C ATOM 1050 SG CYS A 70 6.935 4.360 7.071 1.00 0.00 S ATOM 0 H CYS A 70 8.116 1.819 7.309 1.00 0.00 H new ATOM 0 HA CYS A 70 10.069 2.824 5.668 1.00 0.00 H new ATOM 0 HB2 CYS A 70 8.418 4.628 5.212 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.687 3.035 5.225 1.00 0.00 H new ATOM 0 HG CYS A 70 5.994 5.022 6.465 1.00 0.00 H new ATOM 1056 N SER A 71 9.706 4.721 8.341 1.00 0.00 N ATOM 1057 CA SER A 71 10.342 5.759 9.149 1.00 0.00 C ATOM 1058 C SER A 71 10.321 7.106 8.426 1.00 0.00 C ATOM 1059 O SER A 71 11.245 7.912 8.563 1.00 0.00 O ATOM 1060 CB SER A 71 11.784 5.366 9.501 1.00 0.00 C ATOM 1061 OG SER A 71 12.306 6.205 10.516 1.00 0.00 O ATOM 0 H SER A 71 8.841 4.356 8.740 1.00 0.00 H new ATOM 0 HA SER A 71 9.773 5.858 10.074 1.00 0.00 H new ATOM 0 HB2 SER A 71 11.811 4.328 9.833 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.410 5.433 8.611 1.00 0.00 H new ATOM 0 HG SER A 71 12.220 7.142 10.242 1.00 0.00 H new ATOM 1067 N GLY A 72 9.260 7.342 7.652 1.00 0.00 N ATOM 1068 CA GLY A 72 9.137 8.590 6.919 1.00 0.00 C ATOM 1069 C GLY A 72 8.364 8.442 5.621 1.00 0.00 C ATOM 1070 O GLY A 72 7.604 9.338 5.245 1.00 0.00 O ATOM 0 H GLY A 72 8.486 6.691 7.521 1.00 0.00 H new ATOM 0 HA2 GLY A 72 8.640 9.328 7.549 1.00 0.00 H new ATOM 0 HA3 GLY A 72 10.133 8.976 6.701 1.00 0.00 H new ATOM 1074 N VAL A 73 8.556 7.314 4.929 1.00 0.00 N ATOM 1075 CA VAL A 73 7.868 7.071 3.663 1.00 0.00 C ATOM 1076 C VAL A 73 8.072 5.642 3.169 1.00 0.00 C ATOM 1077 O VAL A 73 9.180 5.103 3.224 1.00 0.00 O ATOM 1078 CB VAL A 73 8.337 8.059 2.574 1.00 0.00 C ATOM 1079 CG1 VAL A 73 9.835 7.935 2.328 1.00 0.00 C ATOM 1080 CG2 VAL A 73 7.558 7.854 1.281 1.00 0.00 C ATOM 0 H VAL A 73 9.178 6.561 5.224 1.00 0.00 H new ATOM 0 HA VAL A 73 6.806 7.223 3.854 1.00 0.00 H new ATOM 0 HB VAL A 73 8.139 9.069 2.933 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.137 8.643 1.556 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.374 8.152 3.250 1.00 0.00 H new ATOM 0 HG13 VAL A 73 10.067 6.921 2.002 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.907 8.562 0.530 1.00 0.00 H new ATOM 0 HG22 VAL A 73 7.712 6.837 0.921 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.496 8.016 1.466 1.00 0.00 H new ATOM 1090 N LEU A 74 6.988 5.042 2.678 1.00 0.00 N ATOM 1091 CA LEU A 74 7.030 3.677 2.163 1.00 0.00 C ATOM 1092 C LEU A 74 6.805 3.645 0.651 1.00 0.00 C ATOM 1093 O LEU A 74 6.187 4.549 0.084 1.00 0.00 O ATOM 1094 CB LEU A 74 5.978 2.812 2.865 1.00 0.00 C ATOM 1095 CG LEU A 74 4.524 3.113 2.488 1.00 0.00 C ATOM 1096 CD1 LEU A 74 3.944 1.981 1.653 1.00 0.00 C ATOM 1097 CD2 LEU A 74 3.685 3.344 3.738 1.00 0.00 C ATOM 0 H LEU A 74 6.069 5.482 2.627 1.00 0.00 H new ATOM 0 HA LEU A 74 8.022 3.275 2.368 1.00 0.00 H new ATOM 0 HB2 LEU A 74 6.185 1.765 2.642 1.00 0.00 H new ATOM 0 HB3 LEU A 74 6.090 2.936 3.942 1.00 0.00 H new ATOM 0 HG LEU A 74 4.504 4.024 1.890 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.911 2.212 1.394 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.529 1.865 0.741 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.976 1.054 2.225 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.655 3.556 3.451 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.711 2.452 4.363 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.088 4.190 4.296 1.00 0.00 H new ATOM 1109 N HIS A 75 7.307 2.590 0.008 1.00 0.00 N ATOM 1110 CA HIS A 75 7.160 2.419 -1.433 1.00 0.00 C ATOM 1111 C HIS A 75 6.222 1.254 -1.734 1.00 0.00 C ATOM 1112 O HIS A 75 6.628 0.089 -1.703 1.00 0.00 O ATOM 1113 CB HIS A 75 8.526 2.184 -2.084 1.00 0.00 C ATOM 1114 CG HIS A 75 9.375 3.418 -2.155 1.00 0.00 C ATOM 1115 ND1 HIS A 75 10.055 3.925 -1.067 1.00 0.00 N ATOM 1116 CD2 HIS A 75 9.647 4.250 -3.188 1.00 0.00 C ATOM 1117 CE1 HIS A 75 10.708 5.016 -1.429 1.00 0.00 C ATOM 1118 NE2 HIS A 75 10.477 5.235 -2.710 1.00 0.00 N ATOM 0 H HIS A 75 7.821 1.839 0.468 1.00 0.00 H new ATOM 0 HA HIS A 75 6.730 3.330 -1.849 1.00 0.00 H new ATOM 0 HB2 HIS A 75 9.060 1.417 -1.523 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.377 1.796 -3.092 1.00 0.00 H new ATOM 0 HD2 HIS A 75 9.280 4.157 -4.199 1.00 0.00 H new ATOM 0 HE1 HIS A 75 11.326 5.625 -0.786 1.00 0.00 H new ATOM 0 HE2 HIS A 75 10.854 6.010 -3.256 1.00 0.00 H new ATOM 1127 N MET A 76 4.961 1.578 -2.013 1.00 0.00 N ATOM 1128 CA MET A 76 3.950 0.568 -2.307 1.00 0.00 C ATOM 1129 C MET A 76 3.632 0.529 -3.798 1.00 0.00 C ATOM 1130 O MET A 76 3.234 1.536 -4.383 1.00 0.00 O ATOM 1131 CB MET A 76 2.673 0.851 -1.511 1.00 0.00 C ATOM 1132 CG MET A 76 1.867 -0.393 -1.183 1.00 0.00 C ATOM 1133 SD MET A 76 0.099 -0.063 -1.070 1.00 0.00 S ATOM 1134 CE MET A 76 -0.091 0.159 0.697 1.00 0.00 C ATOM 0 H MET A 76 4.615 2.537 -2.041 1.00 0.00 H new ATOM 0 HA MET A 76 4.349 -0.403 -2.015 1.00 0.00 H new ATOM 0 HB2 MET A 76 2.939 1.355 -0.582 1.00 0.00 H new ATOM 0 HB3 MET A 76 2.047 1.539 -2.079 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.044 -1.148 -1.949 1.00 0.00 H new ATOM 0 HG3 MET A 76 2.216 -0.809 -0.238 1.00 0.00 H new ATOM 0 HE1 MET A 76 -1.033 -0.283 1.020 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.735 -0.327 1.216 1.00 0.00 H new ATOM 0 HE3 MET A 76 -0.091 1.223 0.932 1.00 0.00 H new ATOM 1144 N VAL A 77 3.804 -0.642 -4.407 1.00 0.00 N ATOM 1145 CA VAL A 77 3.529 -0.813 -5.828 1.00 0.00 C ATOM 1146 C VAL A 77 2.175 -1.490 -6.035 1.00 0.00 C ATOM 1147 O VAL A 77 2.054 -2.710 -5.900 1.00 0.00 O ATOM 1148 CB VAL A 77 4.633 -1.640 -6.525 1.00 0.00 C ATOM 1149 CG1 VAL A 77 4.443 -1.639 -8.034 1.00 0.00 C ATOM 1150 CG2 VAL A 77 6.013 -1.106 -6.158 1.00 0.00 C ATOM 0 H VAL A 77 4.133 -1.485 -3.937 1.00 0.00 H new ATOM 0 HA VAL A 77 3.510 0.180 -6.276 1.00 0.00 H new ATOM 0 HB VAL A 77 4.556 -2.670 -6.176 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.233 -2.228 -8.501 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.474 -2.073 -8.279 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.486 -0.615 -8.405 1.00 0.00 H new ATOM 0 HG21 VAL A 77 6.778 -1.700 -6.658 1.00 0.00 H new ATOM 0 HG22 VAL A 77 6.097 -0.066 -6.475 1.00 0.00 H new ATOM 0 HG23 VAL A 77 6.152 -1.169 -5.079 1.00 0.00 H new ATOM 1160 N ILE A 78 1.160 -0.687 -6.355 1.00 0.00 N ATOM 1161 CA ILE A 78 -0.193 -1.196 -6.576 1.00 0.00 C ATOM 1162 C ILE A 78 -0.522 -1.279 -8.067 1.00 0.00 C ATOM 1163 O ILE A 78 0.242 -0.804 -8.911 1.00 0.00 O ATOM 1164 CB ILE A 78 -1.259 -0.320 -5.871 1.00 0.00 C ATOM 1165 CG1 ILE A 78 -1.060 1.158 -6.220 1.00 0.00 C ATOM 1166 CG2 ILE A 78 -1.207 -0.527 -4.362 1.00 0.00 C ATOM 1167 CD1 ILE A 78 -2.328 1.978 -6.130 1.00 0.00 C ATOM 0 H ILE A 78 1.250 0.323 -6.467 1.00 0.00 H new ATOM 0 HA ILE A 78 -0.219 -2.197 -6.146 1.00 0.00 H new ATOM 0 HB ILE A 78 -2.243 -0.625 -6.226 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.314 1.584 -5.549 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -0.660 1.233 -7.231 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.962 0.096 -3.883 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.401 -1.575 -4.132 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -0.220 -0.251 -3.991 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -2.111 3.014 -6.391 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -3.070 1.578 -6.821 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -2.718 1.934 -5.113 1.00 0.00 H new ATOM 1179 N ALA A 79 -1.665 -1.889 -8.383 1.00 0.00 N ATOM 1180 CA ALA A 79 -2.105 -2.041 -9.767 1.00 0.00 C ATOM 1181 C ALA A 79 -3.621 -1.893 -9.890 1.00 0.00 C ATOM 1182 O ALA A 79 -4.364 -2.261 -8.976 1.00 0.00 O ATOM 1183 CB ALA A 79 -1.664 -3.392 -10.311 1.00 0.00 C ATOM 0 H ALA A 79 -2.304 -2.287 -7.695 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.642 -1.248 -10.355 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -1.997 -3.495 -11.344 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.577 -3.463 -10.272 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.101 -4.188 -9.708 1.00 0.00 H new ATOM 1189 N GLU A 80 -4.070 -1.364 -11.031 1.00 0.00 N ATOM 1190 CA GLU A 80 -5.498 -1.174 -11.280 1.00 0.00 C ATOM 1191 C GLU A 80 -6.063 -2.318 -12.118 1.00 0.00 C ATOM 1192 O GLU A 80 -5.459 -2.734 -13.108 1.00 0.00 O ATOM 1193 CB GLU A 80 -5.754 0.170 -11.980 1.00 0.00 C ATOM 1194 CG GLU A 80 -5.079 0.307 -13.340 1.00 0.00 C ATOM 1195 CD GLU A 80 -5.554 1.525 -14.111 1.00 0.00 C ATOM 1196 OE1 GLU A 80 -5.296 2.659 -13.651 1.00 0.00 O ATOM 1197 OE2 GLU A 80 -6.182 1.344 -15.176 1.00 0.00 O ATOM 0 H GLU A 80 -3.465 -1.061 -11.794 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.007 -1.168 -10.316 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -6.829 0.302 -12.106 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.407 0.975 -11.333 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -4.000 0.369 -13.201 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.273 -0.589 -13.929 1.00 0.00 H new ATOM 1204 N GLY A 81 -7.227 -2.825 -11.712 1.00 0.00 N ATOM 1205 CA GLY A 81 -7.859 -3.915 -12.429 1.00 0.00 C ATOM 1206 C GLY A 81 -9.372 -3.837 -12.373 1.00 0.00 C ATOM 1207 O GLY A 81 -9.970 -4.073 -11.323 1.00 0.00 O ATOM 0 H GLY A 81 -7.743 -2.496 -10.896 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.534 -3.900 -13.469 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -7.530 -4.864 -12.007 1.00 0.00 H new ATOM 1211 N VAL A 82 -9.988 -3.500 -13.506 1.00 0.00 N ATOM 1212 CA VAL A 82 -11.443 -3.387 -13.583 1.00 0.00 C ATOM 1213 C VAL A 82 -12.092 -4.768 -13.534 1.00 0.00 C ATOM 1214 O VAL A 82 -12.248 -5.431 -14.564 1.00 0.00 O ATOM 1215 CB VAL A 82 -11.896 -2.652 -14.866 1.00 0.00 C ATOM 1216 CG1 VAL A 82 -13.401 -2.421 -14.849 1.00 0.00 C ATOM 1217 CG2 VAL A 82 -11.152 -1.332 -15.030 1.00 0.00 C ATOM 0 H VAL A 82 -9.503 -3.301 -14.381 1.00 0.00 H new ATOM 0 HA VAL A 82 -11.764 -2.801 -12.722 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.654 -3.284 -15.720 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -13.700 -1.903 -15.760 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -13.916 -3.380 -14.792 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -13.666 -1.815 -13.983 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.489 -0.835 -15.940 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -11.353 -0.692 -14.171 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -10.081 -1.524 -15.097 1.00 0.00 H new ATOM 1227 N GLY A 83 -12.458 -5.196 -12.329 1.00 0.00 N ATOM 1228 CA GLY A 83 -13.078 -6.497 -12.147 1.00 0.00 C ATOM 1229 C GLY A 83 -12.054 -7.603 -11.981 1.00 0.00 C ATOM 1230 O GLY A 83 -12.044 -8.530 -12.816 1.00 0.00 O ATOM 1231 OXT GLY A 83 -11.262 -7.537 -11.018 1.00 0.00 O ATOM 0 H GLY A 83 -12.335 -4.661 -11.470 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.725 -6.469 -11.270 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -13.713 -6.718 -13.005 1.00 0.00 H new TER 1235 GLY A 83