USER MOD reduce.3.24.130724 H: found=0, std=0, add=608, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 607 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 72 HIS : no HD1:sc= -2.9! C(o=-2.9!,f=-2.7!) USER MOD Set 1.2: A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 46:sc= 0.937 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 25:sc= 0.464 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -68:sc= -3.71! USER MOD Single : A 34 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0351) USER MOD Single : A 38 CYS SG : rot 100:sc= -4.76! USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 TYR OH : rot 30:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -1.87 K(o=-1.9,f=-3.3!) USER MOD Single : A 61 CYS SG : rot 132:sc= 0.156 USER MOD Single : A 64 LYS NZ :NH3+ 152:sc= 0.661 (180deg=0.257) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.563 -7.341 -14.500 1.00 0.00 N ATOM 2 CA GLY A 1 15.442 -6.946 -13.604 1.00 0.00 C ATOM 3 C GLY A 1 15.893 -6.038 -12.477 1.00 0.00 C ATOM 4 O GLY A 1 16.222 -4.874 -12.703 1.00 0.00 O ATOM 0 H1 GLY A 1 16.203 -7.961 -15.254 1.00 0.00 H new ATOM 0 H2 GLY A 1 16.985 -6.490 -14.924 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.285 -7.848 -13.950 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.674 -6.440 -14.189 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.984 -7.841 -13.184 1.00 0.00 H new ATOM 10 N SER A 2 15.908 -6.572 -11.259 1.00 0.00 N ATOM 11 CA SER A 2 16.322 -5.801 -10.092 1.00 0.00 C ATOM 12 C SER A 2 16.455 -6.700 -8.867 1.00 0.00 C ATOM 13 O SER A 2 15.734 -7.690 -8.729 1.00 0.00 O ATOM 14 CB SER A 2 15.316 -4.682 -9.812 1.00 0.00 C ATOM 15 OG SER A 2 15.730 -3.465 -10.409 1.00 0.00 O ATOM 0 H SER A 2 15.639 -7.534 -11.055 1.00 0.00 H new ATOM 0 HA SER A 2 17.296 -5.360 -10.304 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.336 -4.965 -10.196 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.209 -4.545 -8.736 1.00 0.00 H new ATOM 0 HG SER A 2 16.018 -3.634 -11.330 1.00 0.00 H new ATOM 21 N SER A 3 17.380 -6.350 -7.980 1.00 0.00 N ATOM 22 CA SER A 3 17.608 -7.125 -6.766 1.00 0.00 C ATOM 23 C SER A 3 16.568 -6.787 -5.702 1.00 0.00 C ATOM 24 O SER A 3 16.328 -5.617 -5.404 1.00 0.00 O ATOM 25 CB SER A 3 19.013 -6.861 -6.223 1.00 0.00 C ATOM 26 OG SER A 3 19.977 -6.903 -7.260 1.00 0.00 O ATOM 0 H SER A 3 17.984 -5.534 -8.079 1.00 0.00 H new ATOM 0 HA SER A 3 17.516 -8.182 -7.017 1.00 0.00 H new ATOM 0 HB2 SER A 3 19.041 -5.886 -5.736 1.00 0.00 H new ATOM 0 HB3 SER A 3 19.258 -7.604 -5.464 1.00 0.00 H new ATOM 0 HG SER A 3 20.866 -6.729 -6.887 1.00 0.00 H new ATOM 32 N GLY A 4 15.954 -7.820 -5.133 1.00 0.00 N ATOM 33 CA GLY A 4 14.947 -7.611 -4.109 1.00 0.00 C ATOM 34 C GLY A 4 13.536 -7.686 -4.658 1.00 0.00 C ATOM 35 O GLY A 4 13.197 -8.615 -5.390 1.00 0.00 O ATOM 0 H GLY A 4 16.136 -8.797 -5.363 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.069 -8.359 -3.326 1.00 0.00 H new ATOM 0 HA3 GLY A 4 15.102 -6.637 -3.645 1.00 0.00 H new ATOM 39 N SER A 5 12.712 -6.705 -4.303 1.00 0.00 N ATOM 40 CA SER A 5 11.330 -6.663 -4.766 1.00 0.00 C ATOM 41 C SER A 5 10.565 -7.899 -4.306 1.00 0.00 C ATOM 42 O SER A 5 9.653 -8.366 -4.987 1.00 0.00 O ATOM 43 CB SER A 5 11.284 -6.559 -6.291 1.00 0.00 C ATOM 44 OG SER A 5 11.429 -5.216 -6.717 1.00 0.00 O ATOM 0 H SER A 5 12.978 -5.929 -3.697 1.00 0.00 H new ATOM 0 HA SER A 5 10.855 -5.782 -4.334 1.00 0.00 H new ATOM 0 HB2 SER A 5 12.077 -7.168 -6.724 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.339 -6.959 -6.657 1.00 0.00 H new ATOM 0 HG SER A 5 11.398 -5.178 -7.696 1.00 0.00 H new ATOM 50 N SER A 6 10.942 -8.424 -3.144 1.00 0.00 N ATOM 51 CA SER A 6 10.291 -9.606 -2.593 1.00 0.00 C ATOM 52 C SER A 6 9.967 -9.411 -1.116 1.00 0.00 C ATOM 53 O SER A 6 8.808 -9.494 -0.709 1.00 0.00 O ATOM 54 CB SER A 6 11.184 -10.836 -2.774 1.00 0.00 C ATOM 55 OG SER A 6 12.542 -10.524 -2.514 1.00 0.00 O ATOM 0 H SER A 6 11.695 -8.049 -2.567 1.00 0.00 H new ATOM 0 HA SER A 6 9.357 -9.761 -3.133 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.855 -11.630 -2.103 1.00 0.00 H new ATOM 0 HB3 SER A 6 11.083 -11.216 -3.791 1.00 0.00 H new ATOM 0 HG SER A 6 13.091 -11.327 -2.635 1.00 0.00 H new ATOM 61 N GLY A 7 10.997 -9.152 -0.318 1.00 0.00 N ATOM 62 CA GLY A 7 10.800 -8.950 1.105 1.00 0.00 C ATOM 63 C GLY A 7 10.964 -7.499 1.513 1.00 0.00 C ATOM 64 O GLY A 7 12.075 -6.972 1.525 1.00 0.00 O ATOM 0 H GLY A 7 11.965 -9.078 -0.631 1.00 0.00 H new ATOM 0 HA2 GLY A 7 9.803 -9.292 1.383 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.512 -9.562 1.658 1.00 0.00 H new ATOM 68 N LEU A 8 9.851 -6.852 1.849 1.00 0.00 N ATOM 69 CA LEU A 8 9.875 -5.453 2.259 1.00 0.00 C ATOM 70 C LEU A 8 9.666 -5.325 3.764 1.00 0.00 C ATOM 71 O LEU A 8 9.277 -6.284 4.431 1.00 0.00 O ATOM 72 CB LEU A 8 8.796 -4.663 1.514 1.00 0.00 C ATOM 73 CG LEU A 8 8.799 -4.833 -0.005 1.00 0.00 C ATOM 74 CD1 LEU A 8 7.467 -4.399 -0.594 1.00 0.00 C ATOM 75 CD2 LEU A 8 9.942 -4.043 -0.627 1.00 0.00 C ATOM 0 H LEU A 8 8.923 -7.275 1.845 1.00 0.00 H new ATOM 0 HA LEU A 8 10.854 -5.043 2.009 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.820 -4.963 1.895 1.00 0.00 H new ATOM 0 HB3 LEU A 8 8.918 -3.605 1.746 1.00 0.00 H new ATOM 0 HG LEU A 8 8.946 -5.889 -0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.489 -4.527 -1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.667 -5.008 -0.172 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.289 -3.350 -0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.929 -4.175 -1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.825 -2.986 -0.389 1.00 0.00 H new ATOM 0 HD23 LEU A 8 10.891 -4.402 -0.229 1.00 0.00 H new ATOM 87 N ARG A 9 9.927 -4.133 4.292 1.00 0.00 N ATOM 88 CA ARG A 9 9.767 -3.879 5.720 1.00 0.00 C ATOM 89 C ARG A 9 8.538 -3.015 5.983 1.00 0.00 C ATOM 90 O ARG A 9 8.119 -2.237 5.127 1.00 0.00 O ATOM 91 CB ARG A 9 11.015 -3.196 6.282 1.00 0.00 C ATOM 92 CG ARG A 9 12.316 -3.851 5.848 1.00 0.00 C ATOM 93 CD ARG A 9 13.514 -3.238 6.558 1.00 0.00 C ATOM 94 NE ARG A 9 14.608 -2.948 5.634 1.00 0.00 N ATOM 95 CZ ARG A 9 15.737 -2.338 5.991 1.00 0.00 C ATOM 96 NH1 ARG A 9 15.924 -1.955 7.247 1.00 0.00 N ATOM 97 NH2 ARG A 9 16.681 -2.111 5.087 1.00 0.00 N ATOM 0 H ARG A 9 10.250 -3.329 3.754 1.00 0.00 H new ATOM 0 HA ARG A 9 9.630 -4.837 6.221 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.021 -2.153 5.967 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.962 -3.200 7.371 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.274 -4.920 6.059 1.00 0.00 H new ATOM 0 HG3 ARG A 9 12.437 -3.743 4.770 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.208 -2.319 7.058 1.00 0.00 H new ATOM 0 HD3 ARG A 9 13.865 -3.920 7.332 1.00 0.00 H new ATOM 0 HE ARG A 9 14.501 -3.229 4.659 1.00 0.00 H new ATOM 0 HH11 ARG A 9 15.201 -2.127 7.946 1.00 0.00 H new ATOM 0 HH12 ARG A 9 16.791 -1.488 7.514 1.00 0.00 H new ATOM 0 HH21 ARG A 9 16.542 -2.403 4.120 1.00 0.00 H new ATOM 0 HH22 ARG A 9 17.546 -1.644 5.359 1.00 0.00 H new ATOM 111 N LEU A 10 7.965 -3.157 7.173 1.00 0.00 N ATOM 112 CA LEU A 10 6.784 -2.390 7.549 1.00 0.00 C ATOM 113 C LEU A 10 7.170 -0.989 8.014 1.00 0.00 C ATOM 114 O LEU A 10 7.819 -0.824 9.047 1.00 0.00 O ATOM 115 CB LEU A 10 6.011 -3.111 8.655 1.00 0.00 C ATOM 116 CG LEU A 10 5.474 -4.492 8.273 1.00 0.00 C ATOM 117 CD1 LEU A 10 5.514 -5.429 9.471 1.00 0.00 C ATOM 118 CD2 LEU A 10 4.059 -4.381 7.727 1.00 0.00 C ATOM 0 H LEU A 10 8.300 -3.796 7.894 1.00 0.00 H new ATOM 0 HA LEU A 10 6.146 -2.299 6.670 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.662 -3.218 9.522 1.00 0.00 H new ATOM 0 HB3 LEU A 10 5.174 -2.484 8.961 1.00 0.00 H new ATOM 0 HG LEU A 10 6.111 -4.906 7.492 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.129 -6.407 9.181 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.542 -5.533 9.818 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.900 -5.020 10.273 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.693 -5.373 7.460 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.409 -3.946 8.486 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.059 -3.744 6.842 1.00 0.00 H new ATOM 130 N GLY A 11 6.768 0.016 7.243 1.00 0.00 N ATOM 131 CA GLY A 11 7.082 1.389 7.593 1.00 0.00 C ATOM 132 C GLY A 11 8.144 1.989 6.692 1.00 0.00 C ATOM 133 O GLY A 11 9.004 2.740 7.150 1.00 0.00 O ATOM 0 H GLY A 11 6.231 -0.096 6.383 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.176 1.992 7.533 1.00 0.00 H new ATOM 0 HA3 GLY A 11 7.423 1.428 8.627 1.00 0.00 H new ATOM 137 N ASP A 12 8.083 1.656 5.406 1.00 0.00 N ATOM 138 CA ASP A 12 9.047 2.167 4.438 1.00 0.00 C ATOM 139 C ASP A 12 8.354 3.021 3.381 1.00 0.00 C ATOM 140 O ASP A 12 7.227 2.735 2.978 1.00 0.00 O ATOM 141 CB ASP A 12 9.791 1.008 3.769 1.00 0.00 C ATOM 142 CG ASP A 12 11.214 0.868 4.274 1.00 0.00 C ATOM 143 OD1 ASP A 12 11.934 1.888 4.309 1.00 0.00 O ATOM 144 OD2 ASP A 12 11.609 -0.261 4.634 1.00 0.00 O ATOM 0 H ASP A 12 7.377 1.035 5.011 1.00 0.00 H new ATOM 0 HA ASP A 12 9.765 2.791 4.970 1.00 0.00 H new ATOM 0 HB2 ASP A 12 9.250 0.079 3.951 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.805 1.163 2.690 1.00 0.00 H new ATOM 149 N ARG A 13 9.035 4.073 2.938 1.00 0.00 N ATOM 150 CA ARG A 13 8.484 4.970 1.927 1.00 0.00 C ATOM 151 C ARG A 13 8.641 4.376 0.531 1.00 0.00 C ATOM 152 O ARG A 13 9.750 4.288 0.003 1.00 0.00 O ATOM 153 CB ARG A 13 9.173 6.334 1.996 1.00 0.00 C ATOM 154 CG ARG A 13 8.225 7.504 1.787 1.00 0.00 C ATOM 155 CD ARG A 13 8.825 8.805 2.294 1.00 0.00 C ATOM 156 NE ARG A 13 8.245 9.216 3.571 1.00 0.00 N ATOM 157 CZ ARG A 13 8.812 10.096 4.394 1.00 0.00 C ATOM 158 NH1 ARG A 13 9.972 10.658 4.079 1.00 0.00 N ATOM 159 NH2 ARG A 13 8.217 10.413 5.535 1.00 0.00 N ATOM 0 H ARG A 13 9.968 4.326 3.262 1.00 0.00 H new ATOM 0 HA ARG A 13 7.421 5.098 2.130 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.658 6.438 2.967 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.959 6.374 1.241 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.991 7.599 0.727 1.00 0.00 H new ATOM 0 HG3 ARG A 13 7.286 7.309 2.305 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.903 8.687 2.407 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.666 9.590 1.554 1.00 0.00 H new ATOM 0 HE ARG A 13 7.354 8.805 3.848 1.00 0.00 H new ATOM 0 HH11 ARG A 13 10.434 10.417 3.202 1.00 0.00 H new ATOM 0 HH12 ARG A 13 10.401 11.331 4.713 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.326 9.983 5.782 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.650 11.087 6.166 1.00 0.00 H new ATOM 173 N VAL A 14 7.523 3.971 -0.064 1.00 0.00 N ATOM 174 CA VAL A 14 7.536 3.387 -1.399 1.00 0.00 C ATOM 175 C VAL A 14 6.783 4.264 -2.392 1.00 0.00 C ATOM 176 O VAL A 14 6.043 5.167 -2.001 1.00 0.00 O ATOM 177 CB VAL A 14 6.912 1.978 -1.401 1.00 0.00 C ATOM 178 CG1 VAL A 14 7.758 1.016 -0.581 1.00 0.00 C ATOM 179 CG2 VAL A 14 5.485 2.027 -0.876 1.00 0.00 C ATOM 0 H VAL A 14 6.597 4.037 0.358 1.00 0.00 H new ATOM 0 HA VAL A 14 8.581 3.316 -1.702 1.00 0.00 H new ATOM 0 HB VAL A 14 6.885 1.614 -2.428 1.00 0.00 H new ATOM 0 HG11 VAL A 14 7.301 0.027 -0.595 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.760 0.959 -1.007 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.821 1.372 0.447 1.00 0.00 H new ATOM 0 HG21 VAL A 14 5.060 1.023 -0.884 1.00 0.00 H new ATOM 0 HG22 VAL A 14 5.485 2.412 0.144 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.886 2.680 -1.511 1.00 0.00 H new ATOM 189 N LEU A 15 6.976 3.992 -3.679 1.00 0.00 N ATOM 190 CA LEU A 15 6.314 4.756 -4.729 1.00 0.00 C ATOM 191 C LEU A 15 5.236 3.920 -5.412 1.00 0.00 C ATOM 192 O LEU A 15 5.502 2.815 -5.885 1.00 0.00 O ATOM 193 CB LEU A 15 7.335 5.235 -5.763 1.00 0.00 C ATOM 194 CG LEU A 15 6.953 6.514 -6.507 1.00 0.00 C ATOM 195 CD1 LEU A 15 6.760 7.663 -5.530 1.00 0.00 C ATOM 196 CD2 LEU A 15 8.012 6.865 -7.542 1.00 0.00 C ATOM 0 H LEU A 15 7.586 3.248 -4.019 1.00 0.00 H new ATOM 0 HA LEU A 15 5.840 5.623 -4.269 1.00 0.00 H new ATOM 0 HB2 LEU A 15 8.289 5.396 -5.261 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.489 4.441 -6.493 1.00 0.00 H new ATOM 0 HG LEU A 15 6.009 6.342 -7.025 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.488 8.565 -6.078 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.966 7.413 -4.827 1.00 0.00 H new ATOM 0 HD13 LEU A 15 7.687 7.836 -4.984 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.724 7.778 -8.062 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.970 7.017 -7.045 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.102 6.051 -8.261 1.00 0.00 H new ATOM 208 N VAL A 16 4.021 4.454 -5.458 1.00 0.00 N ATOM 209 CA VAL A 16 2.904 3.756 -6.082 1.00 0.00 C ATOM 210 C VAL A 16 2.473 4.448 -7.371 1.00 0.00 C ATOM 211 O VAL A 16 1.822 5.492 -7.339 1.00 0.00 O ATOM 212 CB VAL A 16 1.694 3.669 -5.131 1.00 0.00 C ATOM 213 CG1 VAL A 16 0.616 2.773 -5.718 1.00 0.00 C ATOM 214 CG2 VAL A 16 2.128 3.169 -3.762 1.00 0.00 C ATOM 0 H VAL A 16 3.785 5.368 -5.071 1.00 0.00 H new ATOM 0 HA VAL A 16 3.250 2.748 -6.312 1.00 0.00 H new ATOM 0 HB VAL A 16 1.275 4.668 -5.012 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.230 2.724 -5.032 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.285 3.180 -6.674 1.00 0.00 H new ATOM 0 HG13 VAL A 16 1.018 1.771 -5.870 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.261 3.114 -3.103 1.00 0.00 H new ATOM 0 HG22 VAL A 16 2.573 2.179 -3.860 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.862 3.856 -3.340 1.00 0.00 H new ATOM 224 N GLY A 17 2.840 3.859 -8.504 1.00 0.00 N ATOM 225 CA GLY A 17 2.481 4.433 -9.789 1.00 0.00 C ATOM 226 C GLY A 17 3.579 5.306 -10.363 1.00 0.00 C ATOM 227 O GLY A 17 3.655 5.500 -11.577 1.00 0.00 O ATOM 0 H GLY A 17 3.379 2.995 -8.556 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.255 3.630 -10.491 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.572 5.024 -9.678 1.00 0.00 H new ATOM 231 N GLY A 18 4.430 5.837 -9.491 1.00 0.00 N ATOM 232 CA GLY A 18 5.516 6.690 -9.940 1.00 0.00 C ATOM 233 C GLY A 18 5.237 8.160 -9.692 1.00 0.00 C ATOM 234 O GLY A 18 5.752 9.024 -10.401 1.00 0.00 O ATOM 0 H GLY A 18 4.387 5.692 -8.482 1.00 0.00 H new ATOM 0 HA2 GLY A 18 6.434 6.405 -9.426 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.684 6.529 -11.005 1.00 0.00 H new ATOM 238 N THR A 19 4.420 8.443 -8.683 1.00 0.00 N ATOM 239 CA THR A 19 4.073 9.818 -8.342 1.00 0.00 C ATOM 240 C THR A 19 3.514 9.901 -6.926 1.00 0.00 C ATOM 241 O THR A 19 3.887 10.782 -6.151 1.00 0.00 O ATOM 242 CB THR A 19 3.053 10.370 -9.338 1.00 0.00 C ATOM 243 OG1 THR A 19 2.169 9.349 -9.768 1.00 0.00 O ATOM 244 CG2 THR A 19 3.688 10.976 -10.571 1.00 0.00 C ATOM 0 H THR A 19 3.986 7.738 -8.087 1.00 0.00 H new ATOM 0 HA THR A 19 4.981 10.419 -8.392 1.00 0.00 H new ATOM 0 HB THR A 19 2.520 11.154 -8.801 1.00 0.00 H new ATOM 0 HG1 THR A 19 1.523 9.722 -10.403 1.00 0.00 H new ATOM 0 HG21 THR A 19 2.909 11.348 -11.236 1.00 0.00 H new ATOM 0 HG22 THR A 19 4.339 11.800 -10.278 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.274 10.217 -11.089 1.00 0.00 H new ATOM 252 N LYS A 20 2.618 8.978 -6.594 1.00 0.00 N ATOM 253 CA LYS A 20 2.007 8.946 -5.270 1.00 0.00 C ATOM 254 C LYS A 20 2.935 8.281 -4.260 1.00 0.00 C ATOM 255 O LYS A 20 3.100 7.061 -4.262 1.00 0.00 O ATOM 256 CB LYS A 20 0.671 8.202 -5.320 1.00 0.00 C ATOM 257 CG LYS A 20 -0.241 8.663 -6.446 1.00 0.00 C ATOM 258 CD LYS A 20 -0.738 7.492 -7.280 1.00 0.00 C ATOM 259 CE LYS A 20 -2.197 7.665 -7.669 1.00 0.00 C ATOM 260 NZ LYS A 20 -2.791 6.397 -8.175 1.00 0.00 N ATOM 0 H LYS A 20 2.299 8.242 -7.224 1.00 0.00 H new ATOM 0 HA LYS A 20 1.831 9.974 -4.953 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.863 7.135 -5.433 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.155 8.334 -4.369 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.093 9.200 -6.028 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.295 9.364 -7.085 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.129 7.400 -8.179 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.618 6.566 -6.717 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.764 8.012 -6.805 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.279 8.436 -8.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.787 6.557 -8.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.266 6.078 -9.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.736 5.668 -7.435 1.00 0.00 H new ATOM 274 N THR A 21 3.539 9.091 -3.397 1.00 0.00 N ATOM 275 CA THR A 21 4.451 8.582 -2.380 1.00 0.00 C ATOM 276 C THR A 21 3.689 8.157 -1.129 1.00 0.00 C ATOM 277 O THR A 21 2.934 8.941 -0.553 1.00 0.00 O ATOM 278 CB THR A 21 5.492 9.643 -2.022 1.00 0.00 C ATOM 279 OG1 THR A 21 4.890 10.723 -1.331 1.00 0.00 O ATOM 280 CG2 THR A 21 6.205 10.212 -3.229 1.00 0.00 C ATOM 0 H THR A 21 3.413 10.103 -3.382 1.00 0.00 H new ATOM 0 HA THR A 21 4.959 7.708 -2.788 1.00 0.00 H new ATOM 0 HB THR A 21 6.223 9.131 -1.396 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.073 10.413 -0.888 1.00 0.00 H new ATOM 0 HG21 THR A 21 6.930 10.959 -2.905 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.721 9.411 -3.758 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.478 10.677 -3.895 1.00 0.00 H new ATOM 288 N GLY A 22 3.891 6.910 -0.715 1.00 0.00 N ATOM 289 CA GLY A 22 3.216 6.403 0.465 1.00 0.00 C ATOM 290 C GLY A 22 4.054 5.394 1.225 1.00 0.00 C ATOM 291 O GLY A 22 4.872 4.688 0.636 1.00 0.00 O ATOM 0 H GLY A 22 4.510 6.242 -1.175 1.00 0.00 H new ATOM 0 HA2 GLY A 22 2.969 7.235 1.124 1.00 0.00 H new ATOM 0 HA3 GLY A 22 2.274 5.940 0.170 1.00 0.00 H new ATOM 295 N VAL A 23 3.852 5.327 2.537 1.00 0.00 N ATOM 296 CA VAL A 23 4.595 4.398 3.378 1.00 0.00 C ATOM 297 C VAL A 23 3.886 3.051 3.468 1.00 0.00 C ATOM 298 O VAL A 23 2.661 2.988 3.564 1.00 0.00 O ATOM 299 CB VAL A 23 4.789 4.958 4.800 1.00 0.00 C ATOM 300 CG1 VAL A 23 5.732 4.072 5.599 1.00 0.00 C ATOM 301 CG2 VAL A 23 5.307 6.388 4.744 1.00 0.00 C ATOM 0 H VAL A 23 3.179 5.906 3.040 1.00 0.00 H new ATOM 0 HA VAL A 23 5.571 4.263 2.913 1.00 0.00 H new ATOM 0 HB VAL A 23 3.822 4.966 5.303 1.00 0.00 H new ATOM 0 HG11 VAL A 23 5.857 4.484 6.601 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.315 3.067 5.669 1.00 0.00 H new ATOM 0 HG13 VAL A 23 6.701 4.029 5.101 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.438 6.767 5.757 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.264 6.408 4.222 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.591 7.014 4.212 1.00 0.00 H new ATOM 311 N VAL A 24 4.665 1.975 3.435 1.00 0.00 N ATOM 312 CA VAL A 24 4.113 0.629 3.513 1.00 0.00 C ATOM 313 C VAL A 24 3.519 0.358 4.891 1.00 0.00 C ATOM 314 O VAL A 24 4.189 0.527 5.910 1.00 0.00 O ATOM 315 CB VAL A 24 5.183 -0.436 3.209 1.00 0.00 C ATOM 316 CG1 VAL A 24 4.550 -1.815 3.101 1.00 0.00 C ATOM 317 CG2 VAL A 24 5.936 -0.087 1.934 1.00 0.00 C ATOM 0 H VAL A 24 5.681 2.010 3.355 1.00 0.00 H new ATOM 0 HA VAL A 24 3.326 0.566 2.762 1.00 0.00 H new ATOM 0 HB VAL A 24 5.896 -0.453 4.033 1.00 0.00 H new ATOM 0 HG11 VAL A 24 5.322 -2.554 2.886 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.060 -2.065 4.042 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.813 -1.815 2.297 1.00 0.00 H new ATOM 0 HG21 VAL A 24 6.688 -0.851 1.735 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.236 -0.040 1.099 1.00 0.00 H new ATOM 0 HG23 VAL A 24 6.424 0.880 2.053 1.00 0.00 H new ATOM 327 N ARG A 25 2.259 -0.064 4.915 1.00 0.00 N ATOM 328 CA ARG A 25 1.575 -0.358 6.167 1.00 0.00 C ATOM 329 C ARG A 25 1.356 -1.860 6.331 1.00 0.00 C ATOM 330 O ARG A 25 1.278 -2.367 7.451 1.00 0.00 O ATOM 331 CB ARG A 25 0.232 0.375 6.225 1.00 0.00 C ATOM 332 CG ARG A 25 0.286 1.679 7.003 1.00 0.00 C ATOM 333 CD ARG A 25 0.530 1.433 8.484 1.00 0.00 C ATOM 334 NE ARG A 25 1.180 2.572 9.129 1.00 0.00 N ATOM 335 CZ ARG A 25 0.537 3.672 9.511 1.00 0.00 C ATOM 336 NH1 ARG A 25 -0.770 3.789 9.313 1.00 0.00 N ATOM 337 NH2 ARG A 25 1.204 4.660 10.094 1.00 0.00 N ATOM 0 H ARG A 25 1.691 -0.210 4.080 1.00 0.00 H new ATOM 0 HA ARG A 25 2.206 -0.011 6.985 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.105 0.581 5.209 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.511 -0.280 6.680 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.079 2.311 6.602 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.650 2.221 6.872 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -0.420 1.230 8.979 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.150 0.545 8.607 1.00 0.00 H new ATOM 0 HE ARG A 25 2.185 2.520 9.296 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.288 3.033 8.865 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.257 4.635 9.608 1.00 0.00 H new ATOM 0 HH21 ARG A 25 2.209 4.575 10.249 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.712 5.504 10.387 1.00 0.00 H new ATOM 351 N TYR A 26 1.261 -2.567 5.209 1.00 0.00 N ATOM 352 CA TYR A 26 1.053 -4.009 5.231 1.00 0.00 C ATOM 353 C TYR A 26 1.926 -4.699 4.188 1.00 0.00 C ATOM 354 O TYR A 26 2.053 -4.227 3.059 1.00 0.00 O ATOM 355 CB TYR A 26 -0.420 -4.339 4.978 1.00 0.00 C ATOM 356 CG TYR A 26 -0.774 -5.781 5.263 1.00 0.00 C ATOM 357 CD1 TYR A 26 -0.693 -6.294 6.551 1.00 0.00 C ATOM 358 CD2 TYR A 26 -1.191 -6.628 4.244 1.00 0.00 C ATOM 359 CE1 TYR A 26 -1.016 -7.612 6.816 1.00 0.00 C ATOM 360 CE2 TYR A 26 -1.516 -7.946 4.500 1.00 0.00 C ATOM 361 CZ TYR A 26 -1.427 -8.433 5.787 1.00 0.00 C ATOM 362 OH TYR A 26 -1.749 -9.745 6.046 1.00 0.00 O ATOM 0 H TYR A 26 1.325 -2.164 4.274 1.00 0.00 H new ATOM 0 HA TYR A 26 1.335 -4.376 6.218 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.040 -3.692 5.598 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.661 -4.113 3.939 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.372 -5.653 7.359 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.262 -6.250 3.235 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.947 -7.996 7.823 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.838 -8.592 3.696 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.020 -10.186 5.214 1.00 0.00 H new ATOM 372 N VAL A 27 2.527 -5.820 4.575 1.00 0.00 N ATOM 373 CA VAL A 27 3.389 -6.573 3.673 1.00 0.00 C ATOM 374 C VAL A 27 3.121 -8.071 3.781 1.00 0.00 C ATOM 375 O VAL A 27 3.353 -8.679 4.826 1.00 0.00 O ATOM 376 CB VAL A 27 4.878 -6.306 3.968 1.00 0.00 C ATOM 377 CG1 VAL A 27 5.760 -6.964 2.917 1.00 0.00 C ATOM 378 CG2 VAL A 27 5.147 -4.811 4.039 1.00 0.00 C ATOM 0 H VAL A 27 2.433 -6.226 5.506 1.00 0.00 H new ATOM 0 HA VAL A 27 3.161 -6.238 2.661 1.00 0.00 H new ATOM 0 HB VAL A 27 5.121 -6.744 4.936 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.807 -6.764 3.144 1.00 0.00 H new ATOM 0 HG12 VAL A 27 5.588 -8.040 2.920 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.518 -6.560 1.934 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.203 -4.641 4.248 1.00 0.00 H new ATOM 0 HG22 VAL A 27 4.886 -4.349 3.087 1.00 0.00 H new ATOM 0 HG23 VAL A 27 4.544 -4.370 4.833 1.00 0.00 H new ATOM 388 N GLY A 28 2.631 -8.658 2.695 1.00 0.00 N ATOM 389 CA GLY A 28 2.338 -10.079 2.687 1.00 0.00 C ATOM 390 C GLY A 28 1.313 -10.454 1.635 1.00 0.00 C ATOM 391 O GLY A 28 1.006 -9.659 0.747 1.00 0.00 O ATOM 0 H GLY A 28 2.431 -8.175 1.819 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.258 -10.635 2.508 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.971 -10.377 3.669 1.00 0.00 H new ATOM 395 N GLU A 29 0.785 -11.669 1.734 1.00 0.00 N ATOM 396 CA GLU A 29 -0.212 -12.149 0.783 1.00 0.00 C ATOM 397 C GLU A 29 -1.609 -11.685 1.180 1.00 0.00 C ATOM 398 O GLU A 29 -1.886 -11.448 2.355 1.00 0.00 O ATOM 399 CB GLU A 29 -0.174 -13.677 0.699 1.00 0.00 C ATOM 400 CG GLU A 29 1.066 -14.217 0.006 1.00 0.00 C ATOM 401 CD GLU A 29 0.830 -15.569 -0.638 1.00 0.00 C ATOM 402 OE1 GLU A 29 0.304 -15.603 -1.771 1.00 0.00 O ATOM 403 OE2 GLU A 29 1.171 -16.593 -0.011 1.00 0.00 O ATOM 0 H GLU A 29 1.030 -12.339 2.463 1.00 0.00 H new ATOM 0 HA GLU A 29 0.026 -11.732 -0.196 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.226 -14.089 1.707 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.059 -14.025 0.166 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.391 -13.508 -0.755 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.876 -14.300 0.731 1.00 0.00 H new ATOM 410 N THR A 30 -2.487 -11.557 0.190 1.00 0.00 N ATOM 411 CA THR A 30 -3.857 -11.121 0.435 1.00 0.00 C ATOM 412 C THR A 30 -4.806 -12.314 0.486 1.00 0.00 C ATOM 413 O THR A 30 -4.379 -13.464 0.393 1.00 0.00 O ATOM 414 CB THR A 30 -4.305 -10.144 -0.653 1.00 0.00 C ATOM 415 OG1 THR A 30 -4.248 -10.754 -1.930 1.00 0.00 O ATOM 416 CG2 THR A 30 -3.469 -8.884 -0.708 1.00 0.00 C ATOM 0 H THR A 30 -2.274 -11.749 -0.789 1.00 0.00 H new ATOM 0 HA THR A 30 -3.885 -10.616 1.401 1.00 0.00 H new ATOM 0 HB THR A 30 -5.327 -9.871 -0.392 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.313 -10.918 -2.173 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.841 -8.235 -1.501 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.533 -8.363 0.247 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.430 -9.145 -0.910 1.00 0.00 H new ATOM 424 N ASP A 31 -6.096 -12.031 0.634 1.00 0.00 N ATOM 425 CA ASP A 31 -7.107 -13.081 0.698 1.00 0.00 C ATOM 426 C ASP A 31 -7.845 -13.206 -0.631 1.00 0.00 C ATOM 427 O ASP A 31 -8.280 -14.294 -1.011 1.00 0.00 O ATOM 428 CB ASP A 31 -8.102 -12.792 1.823 1.00 0.00 C ATOM 429 CG ASP A 31 -7.601 -13.263 3.174 1.00 0.00 C ATOM 430 OD1 ASP A 31 -6.368 -13.392 3.338 1.00 0.00 O ATOM 431 OD2 ASP A 31 -8.438 -13.501 4.068 1.00 0.00 O ATOM 0 H ASP A 31 -6.466 -11.084 0.712 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.603 -14.025 0.903 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.298 -11.721 1.865 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.050 -13.281 1.600 1.00 0.00 H new ATOM 436 N PHE A 32 -7.983 -12.087 -1.334 1.00 0.00 N ATOM 437 CA PHE A 32 -8.669 -12.071 -2.620 1.00 0.00 C ATOM 438 C PHE A 32 -7.701 -12.375 -3.758 1.00 0.00 C ATOM 439 O PHE A 32 -8.005 -13.166 -4.651 1.00 0.00 O ATOM 440 CB PHE A 32 -9.333 -10.712 -2.850 1.00 0.00 C ATOM 441 CG PHE A 32 -8.382 -9.553 -2.738 1.00 0.00 C ATOM 442 CD1 PHE A 32 -7.656 -9.126 -3.838 1.00 0.00 C ATOM 443 CD2 PHE A 32 -8.216 -8.893 -1.531 1.00 0.00 C ATOM 444 CE1 PHE A 32 -6.782 -8.061 -3.737 1.00 0.00 C ATOM 445 CE2 PHE A 32 -7.344 -7.827 -1.424 1.00 0.00 C ATOM 446 CZ PHE A 32 -6.625 -7.410 -2.528 1.00 0.00 C ATOM 0 H PHE A 32 -7.628 -11.179 -1.034 1.00 0.00 H new ATOM 0 HA PHE A 32 -9.436 -12.845 -2.603 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -9.790 -10.703 -3.840 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.138 -10.583 -2.126 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.775 -9.631 -4.785 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -8.774 -9.215 -0.665 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -6.222 -7.737 -4.602 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -7.224 -7.320 -0.478 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.942 -6.577 -2.446 1.00 0.00 H new ATOM 456 N ALA A 33 -6.532 -11.743 -3.718 1.00 0.00 N ATOM 457 CA ALA A 33 -5.519 -11.947 -4.746 1.00 0.00 C ATOM 458 C ALA A 33 -4.764 -13.253 -4.524 1.00 0.00 C ATOM 459 O ALA A 33 -5.066 -14.005 -3.597 1.00 0.00 O ATOM 460 CB ALA A 33 -4.550 -10.774 -4.771 1.00 0.00 C ATOM 0 H ALA A 33 -6.264 -11.086 -2.985 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.024 -12.010 -5.710 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.799 -10.939 -5.543 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.096 -9.856 -4.987 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -4.060 -10.686 -3.801 1.00 0.00 H new ATOM 466 N LYS A 34 -3.784 -13.517 -5.381 1.00 0.00 N ATOM 467 CA LYS A 34 -2.985 -14.733 -5.279 1.00 0.00 C ATOM 468 C LYS A 34 -1.491 -14.414 -5.276 1.00 0.00 C ATOM 469 O LYS A 34 -0.662 -15.287 -5.533 1.00 0.00 O ATOM 470 CB LYS A 34 -3.309 -15.677 -6.438 1.00 0.00 C ATOM 471 CG LYS A 34 -2.957 -17.129 -6.159 1.00 0.00 C ATOM 472 CD LYS A 34 -4.177 -17.923 -5.718 1.00 0.00 C ATOM 473 CE LYS A 34 -4.015 -19.404 -6.020 1.00 0.00 C ATOM 474 NZ LYS A 34 -2.817 -19.981 -5.350 1.00 0.00 N ATOM 0 H LYS A 34 -3.524 -12.905 -6.154 1.00 0.00 H new ATOM 0 HA LYS A 34 -3.234 -15.219 -4.336 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.373 -15.607 -6.665 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.771 -15.346 -7.326 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -2.532 -17.580 -7.056 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.191 -17.177 -5.385 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -4.336 -17.784 -4.649 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.064 -17.542 -6.225 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.906 -19.940 -5.694 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.933 -19.548 -7.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -2.826 -21.016 -5.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.956 -19.596 -5.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.832 -19.735 -4.340 1.00 0.00 H new ATOM 488 N GLY A 35 -1.153 -13.162 -4.984 1.00 0.00 N ATOM 489 CA GLY A 35 0.242 -12.759 -4.956 1.00 0.00 C ATOM 490 C GLY A 35 0.591 -11.967 -3.710 1.00 0.00 C ATOM 491 O GLY A 35 -0.161 -11.968 -2.736 1.00 0.00 O ATOM 0 H GLY A 35 -1.819 -12.420 -4.767 1.00 0.00 H new ATOM 0 HA2 GLY A 35 0.874 -13.645 -5.009 1.00 0.00 H new ATOM 0 HA3 GLY A 35 0.461 -12.158 -5.838 1.00 0.00 H new ATOM 495 N GLU A 36 1.734 -11.292 -3.743 1.00 0.00 N ATOM 496 CA GLU A 36 2.182 -10.493 -2.607 1.00 0.00 C ATOM 497 C GLU A 36 1.839 -9.020 -2.811 1.00 0.00 C ATOM 498 O GLU A 36 2.437 -8.343 -3.648 1.00 0.00 O ATOM 499 CB GLU A 36 3.690 -10.659 -2.403 1.00 0.00 C ATOM 500 CG GLU A 36 4.051 -11.442 -1.152 1.00 0.00 C ATOM 501 CD GLU A 36 5.183 -10.804 -0.370 1.00 0.00 C ATOM 502 OE1 GLU A 36 5.312 -9.562 -0.419 1.00 0.00 O ATOM 503 OE2 GLU A 36 5.940 -11.546 0.290 1.00 0.00 O ATOM 0 H GLU A 36 2.367 -11.281 -4.543 1.00 0.00 H new ATOM 0 HA GLU A 36 1.663 -10.847 -1.716 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.113 -11.163 -3.272 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.152 -9.673 -2.351 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.172 -11.522 -0.512 1.00 0.00 H new ATOM 0 HG3 GLU A 36 4.335 -12.456 -1.432 1.00 0.00 H new ATOM 510 N TRP A 37 0.874 -8.530 -2.040 1.00 0.00 N ATOM 511 CA TRP A 37 0.453 -7.137 -2.135 1.00 0.00 C ATOM 512 C TRP A 37 0.874 -6.356 -0.894 1.00 0.00 C ATOM 513 O TRP A 37 0.982 -6.915 0.197 1.00 0.00 O ATOM 514 CB TRP A 37 -1.064 -7.054 -2.313 1.00 0.00 C ATOM 515 CG TRP A 37 -1.563 -7.803 -3.510 1.00 0.00 C ATOM 516 CD1 TRP A 37 -1.444 -9.143 -3.748 1.00 0.00 C ATOM 517 CD2 TRP A 37 -2.259 -7.256 -4.636 1.00 0.00 C ATOM 518 NE1 TRP A 37 -2.024 -9.462 -4.952 1.00 0.00 N ATOM 519 CE2 TRP A 37 -2.532 -8.321 -5.516 1.00 0.00 C ATOM 520 CE3 TRP A 37 -2.681 -5.969 -4.986 1.00 0.00 C ATOM 521 CZ2 TRP A 37 -3.205 -8.137 -6.722 1.00 0.00 C ATOM 522 CZ3 TRP A 37 -3.348 -5.789 -6.182 1.00 0.00 C ATOM 523 CH2 TRP A 37 -3.605 -6.868 -7.037 1.00 0.00 C ATOM 0 H TRP A 37 0.369 -9.077 -1.343 1.00 0.00 H new ATOM 0 HA TRP A 37 0.940 -6.694 -3.004 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -1.549 -7.446 -1.419 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -1.356 -6.007 -2.401 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.964 -9.849 -3.086 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -2.069 -10.396 -5.360 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -2.489 -5.131 -4.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -3.404 -8.967 -7.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -3.677 -4.799 -6.463 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -4.130 -6.694 -7.965 1.00 0.00 H new ATOM 534 N CYS A 38 1.112 -5.060 -1.069 1.00 0.00 N ATOM 535 CA CYS A 38 1.522 -4.203 0.036 1.00 0.00 C ATOM 536 C CYS A 38 0.632 -2.967 0.125 1.00 0.00 C ATOM 537 O CYS A 38 0.509 -2.207 -0.835 1.00 0.00 O ATOM 538 CB CYS A 38 2.983 -3.780 -0.133 1.00 0.00 C ATOM 539 SG CYS A 38 4.174 -4.966 0.532 1.00 0.00 S ATOM 0 H CYS A 38 1.028 -4.581 -1.966 1.00 0.00 H new ATOM 0 HA CYS A 38 1.419 -4.772 0.960 1.00 0.00 H new ATOM 0 HB2 CYS A 38 3.187 -3.632 -1.193 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.131 -2.818 0.358 1.00 0.00 H new ATOM 0 HG CYS A 38 4.657 -5.686 -0.437 1.00 0.00 H new ATOM 545 N GLY A 39 0.013 -2.772 1.286 1.00 0.00 N ATOM 546 CA GLY A 39 -0.856 -1.627 1.478 1.00 0.00 C ATOM 547 C GLY A 39 -0.083 -0.353 1.762 1.00 0.00 C ATOM 548 O GLY A 39 0.421 -0.159 2.869 1.00 0.00 O ATOM 0 H GLY A 39 0.098 -3.386 2.096 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.468 -1.486 0.587 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.538 -1.827 2.305 1.00 0.00 H new ATOM 552 N VAL A 40 0.013 0.515 0.761 1.00 0.00 N ATOM 553 CA VAL A 40 0.731 1.775 0.910 1.00 0.00 C ATOM 554 C VAL A 40 -0.202 2.889 1.371 1.00 0.00 C ATOM 555 O VAL A 40 -1.303 3.047 0.845 1.00 0.00 O ATOM 556 CB VAL A 40 1.402 2.198 -0.410 1.00 0.00 C ATOM 557 CG1 VAL A 40 2.308 3.400 -0.189 1.00 0.00 C ATOM 558 CG2 VAL A 40 2.182 1.037 -1.009 1.00 0.00 C ATOM 0 H VAL A 40 -0.397 0.369 -0.162 1.00 0.00 H new ATOM 0 HA VAL A 40 1.500 1.613 1.665 1.00 0.00 H new ATOM 0 HB VAL A 40 0.622 2.485 -1.116 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.773 3.684 -1.133 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.719 4.235 0.191 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.082 3.144 0.534 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.649 1.355 -1.941 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.953 0.716 -0.308 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.504 0.207 -1.208 1.00 0.00 H new ATOM 568 N GLU A 41 0.247 3.659 2.357 1.00 0.00 N ATOM 569 CA GLU A 41 -0.547 4.759 2.891 1.00 0.00 C ATOM 570 C GLU A 41 -0.016 6.101 2.398 1.00 0.00 C ATOM 571 O GLU A 41 1.026 6.572 2.854 1.00 0.00 O ATOM 572 CB GLU A 41 -0.542 4.725 4.420 1.00 0.00 C ATOM 573 CG GLU A 41 -1.419 5.792 5.055 1.00 0.00 C ATOM 574 CD GLU A 41 -0.613 6.912 5.682 1.00 0.00 C ATOM 575 OE1 GLU A 41 -0.063 7.742 4.929 1.00 0.00 O ATOM 576 OE2 GLU A 41 -0.533 6.960 6.928 1.00 0.00 O ATOM 0 H GLU A 41 1.157 3.541 2.802 1.00 0.00 H new ATOM 0 HA GLU A 41 -1.571 4.641 2.536 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -0.878 3.744 4.754 1.00 0.00 H new ATOM 0 HB3 GLU A 41 0.481 4.849 4.775 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.084 6.208 4.298 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.050 5.333 5.816 1.00 0.00 H new ATOM 583 N LEU A 42 -0.738 6.712 1.465 1.00 0.00 N ATOM 584 CA LEU A 42 -0.340 8.000 0.910 1.00 0.00 C ATOM 585 C LEU A 42 -0.563 9.121 1.920 1.00 0.00 C ATOM 586 O LEU A 42 -1.248 8.937 2.926 1.00 0.00 O ATOM 587 CB LEU A 42 -1.122 8.290 -0.373 1.00 0.00 C ATOM 588 CG LEU A 42 -0.834 7.338 -1.535 1.00 0.00 C ATOM 589 CD1 LEU A 42 -1.802 7.587 -2.680 1.00 0.00 C ATOM 590 CD2 LEU A 42 0.604 7.491 -2.005 1.00 0.00 C ATOM 0 H LEU A 42 -1.603 6.335 1.077 1.00 0.00 H new ATOM 0 HA LEU A 42 0.724 7.953 0.676 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.188 8.252 -0.147 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.900 9.308 -0.694 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.973 6.315 -1.186 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.582 6.901 -3.498 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -2.823 7.425 -2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.696 8.614 -3.030 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.791 6.806 -2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.771 8.516 -2.337 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.282 7.261 -1.183 1.00 0.00 H new ATOM 602 N ASP A 43 0.018 10.284 1.643 1.00 0.00 N ATOM 603 CA ASP A 43 -0.118 11.437 2.526 1.00 0.00 C ATOM 604 C ASP A 43 -1.292 12.314 2.100 1.00 0.00 C ATOM 605 O ASP A 43 -1.927 12.964 2.931 1.00 0.00 O ATOM 606 CB ASP A 43 1.172 12.259 2.529 1.00 0.00 C ATOM 607 CG ASP A 43 2.299 11.564 3.265 1.00 0.00 C ATOM 608 OD1 ASP A 43 2.210 11.439 4.506 1.00 0.00 O ATOM 609 OD2 ASP A 43 3.271 11.144 2.603 1.00 0.00 O ATOM 0 H ASP A 43 0.588 10.453 0.814 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.309 11.070 3.534 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.478 12.453 1.501 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.982 13.227 2.993 1.00 0.00 H new ATOM 614 N GLU A 44 -1.575 12.325 0.802 1.00 0.00 N ATOM 615 CA GLU A 44 -2.672 13.122 0.265 1.00 0.00 C ATOM 616 C GLU A 44 -3.904 12.253 0.020 1.00 0.00 C ATOM 617 O GLU A 44 -3.797 11.036 -0.125 1.00 0.00 O ATOM 618 CB GLU A 44 -2.246 13.802 -1.037 1.00 0.00 C ATOM 619 CG GLU A 44 -1.325 14.992 -0.829 1.00 0.00 C ATOM 620 CD GLU A 44 -1.212 15.864 -2.063 1.00 0.00 C ATOM 621 OE1 GLU A 44 -1.396 15.337 -3.181 1.00 0.00 O ATOM 622 OE2 GLU A 44 -0.940 17.074 -1.913 1.00 0.00 O ATOM 0 H GLU A 44 -1.060 11.791 0.102 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.927 13.887 0.999 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.744 13.071 -1.671 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.136 14.131 -1.573 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.695 15.592 0.003 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.334 14.635 -0.549 1.00 0.00 H new ATOM 629 N PRO A 45 -5.096 12.871 -0.032 1.00 0.00 N ATOM 630 CA PRO A 45 -6.351 12.148 -0.263 1.00 0.00 C ATOM 631 C PRO A 45 -6.437 11.578 -1.675 1.00 0.00 C ATOM 632 O PRO A 45 -7.268 12.002 -2.478 1.00 0.00 O ATOM 633 CB PRO A 45 -7.426 13.217 -0.048 1.00 0.00 C ATOM 634 CG PRO A 45 -6.738 14.509 -0.320 1.00 0.00 C ATOM 635 CD PRO A 45 -5.316 14.321 0.129 1.00 0.00 C ATOM 0 HA PRO A 45 -6.453 11.287 0.398 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -8.271 13.069 -0.721 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -7.819 13.184 0.968 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -6.783 14.760 -1.380 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -7.214 15.327 0.222 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.623 14.903 -0.478 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -5.176 14.636 1.163 1.00 0.00 H new ATOM 643 N LEU A 46 -5.570 10.614 -1.972 1.00 0.00 N ATOM 644 CA LEU A 46 -5.547 9.986 -3.288 1.00 0.00 C ATOM 645 C LEU A 46 -5.726 8.475 -3.175 1.00 0.00 C ATOM 646 O LEU A 46 -5.233 7.718 -4.011 1.00 0.00 O ATOM 647 CB LEU A 46 -4.231 10.303 -4.002 1.00 0.00 C ATOM 648 CG LEU A 46 -3.898 11.791 -4.119 1.00 0.00 C ATOM 649 CD1 LEU A 46 -2.402 11.990 -4.299 1.00 0.00 C ATOM 650 CD2 LEU A 46 -4.666 12.419 -5.272 1.00 0.00 C ATOM 0 H LEU A 46 -4.875 10.251 -1.319 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.376 10.388 -3.870 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.419 9.806 -3.472 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.267 9.875 -5.004 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.200 12.286 -3.196 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.184 13.055 -4.380 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.874 11.576 -3.440 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.074 11.482 -5.206 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.417 13.478 -5.341 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.395 11.921 -6.203 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.737 12.308 -5.099 1.00 0.00 H new ATOM 662 N GLY A 47 -6.436 8.043 -2.137 1.00 0.00 N ATOM 663 CA GLY A 47 -6.667 6.624 -1.936 1.00 0.00 C ATOM 664 C GLY A 47 -8.120 6.240 -2.133 1.00 0.00 C ATOM 665 O GLY A 47 -8.999 7.101 -2.156 1.00 0.00 O ATOM 0 H GLY A 47 -6.855 8.650 -1.432 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.047 6.056 -2.630 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.354 6.347 -0.929 1.00 0.00 H new ATOM 669 N LYS A 48 -8.373 4.942 -2.275 1.00 0.00 N ATOM 670 CA LYS A 48 -9.730 4.445 -2.472 1.00 0.00 C ATOM 671 C LYS A 48 -10.170 3.584 -1.293 1.00 0.00 C ATOM 672 O LYS A 48 -11.331 3.620 -0.884 1.00 0.00 O ATOM 673 CB LYS A 48 -9.815 3.636 -3.768 1.00 0.00 C ATOM 674 CG LYS A 48 -9.787 4.494 -5.024 1.00 0.00 C ATOM 675 CD LYS A 48 -9.891 3.644 -6.281 1.00 0.00 C ATOM 676 CE LYS A 48 -10.755 4.313 -7.338 1.00 0.00 C ATOM 677 NZ LYS A 48 -12.004 3.547 -7.601 1.00 0.00 N ATOM 0 H LYS A 48 -7.656 4.216 -2.257 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.398 5.303 -2.542 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.985 2.931 -3.801 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.733 3.048 -3.760 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.610 5.208 -4.997 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.864 5.073 -5.050 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.894 3.466 -6.684 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.312 2.670 -6.029 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.010 5.322 -7.013 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.187 4.410 -8.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.565 4.036 -8.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.762 2.592 -7.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.559 3.476 -6.724 1.00 0.00 H new ATOM 691 N ASN A 49 -9.236 2.809 -0.750 1.00 0.00 N ATOM 692 CA ASN A 49 -9.528 1.939 0.383 1.00 0.00 C ATOM 693 C ASN A 49 -8.884 2.473 1.659 1.00 0.00 C ATOM 694 O ASN A 49 -8.132 3.447 1.626 1.00 0.00 O ATOM 695 CB ASN A 49 -9.034 0.518 0.101 1.00 0.00 C ATOM 696 CG ASN A 49 -10.169 -0.433 -0.226 1.00 0.00 C ATOM 697 OD1 ASN A 49 -10.731 -1.076 0.662 1.00 0.00 O ATOM 698 ND2 ASN A 49 -10.512 -0.530 -1.505 1.00 0.00 N ATOM 0 H ASN A 49 -8.271 2.766 -1.077 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.608 1.918 0.526 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.330 0.539 -0.731 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.490 0.146 0.969 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -11.268 -1.156 -1.784 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.020 0.021 -2.208 1.00 0.00 H new ATOM 705 N ASP A 50 -9.184 1.828 2.781 1.00 0.00 N ATOM 706 CA ASP A 50 -8.634 2.237 4.069 1.00 0.00 C ATOM 707 C ASP A 50 -8.007 1.051 4.794 1.00 0.00 C ATOM 708 O ASP A 50 -8.003 0.993 6.023 1.00 0.00 O ATOM 709 CB ASP A 50 -9.728 2.860 4.939 1.00 0.00 C ATOM 710 CG ASP A 50 -10.917 1.938 5.121 1.00 0.00 C ATOM 711 OD1 ASP A 50 -10.852 1.052 6.000 1.00 0.00 O ATOM 712 OD2 ASP A 50 -11.913 2.102 4.385 1.00 0.00 O ATOM 0 H ASP A 50 -9.805 1.020 2.825 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.858 2.980 3.885 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -9.313 3.110 5.915 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -10.062 3.793 4.485 1.00 0.00 H new ATOM 717 N GLY A 51 -7.475 0.107 4.024 1.00 0.00 N ATOM 718 CA GLY A 51 -6.852 -1.065 4.610 1.00 0.00 C ATOM 719 C GLY A 51 -7.867 -2.076 5.103 1.00 0.00 C ATOM 720 O GLY A 51 -7.603 -2.821 6.047 1.00 0.00 O ATOM 0 H GLY A 51 -7.464 0.133 3.004 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -6.204 -1.536 3.871 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.217 -0.758 5.441 1.00 0.00 H new ATOM 724 N ALA A 52 -9.032 -2.104 4.463 1.00 0.00 N ATOM 725 CA ALA A 52 -10.091 -3.031 4.842 1.00 0.00 C ATOM 726 C ALA A 52 -10.732 -3.665 3.612 1.00 0.00 C ATOM 727 O ALA A 52 -11.409 -2.990 2.836 1.00 0.00 O ATOM 728 CB ALA A 52 -11.142 -2.318 5.679 1.00 0.00 C ATOM 0 H ALA A 52 -9.266 -1.495 3.679 1.00 0.00 H new ATOM 0 HA ALA A 52 -9.646 -3.827 5.439 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.927 -3.022 5.955 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -10.679 -1.919 6.581 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.574 -1.501 5.101 1.00 0.00 H new ATOM 734 N VAL A 53 -10.514 -4.965 3.441 1.00 0.00 N ATOM 735 CA VAL A 53 -11.069 -5.690 2.305 1.00 0.00 C ATOM 736 C VAL A 53 -11.894 -6.887 2.766 1.00 0.00 C ATOM 737 O VAL A 53 -11.502 -7.605 3.685 1.00 0.00 O ATOM 738 CB VAL A 53 -9.962 -6.182 1.354 1.00 0.00 C ATOM 739 CG1 VAL A 53 -10.565 -6.756 0.082 1.00 0.00 C ATOM 740 CG2 VAL A 53 -8.995 -5.052 1.032 1.00 0.00 C ATOM 0 H VAL A 53 -9.957 -5.538 4.075 1.00 0.00 H new ATOM 0 HA VAL A 53 -11.712 -4.991 1.770 1.00 0.00 H new ATOM 0 HB VAL A 53 -9.406 -6.975 1.853 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -9.767 -7.098 -0.577 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.213 -7.596 0.333 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -11.148 -5.986 -0.424 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.219 -5.418 0.359 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -9.536 -4.236 0.553 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.536 -4.692 1.953 1.00 0.00 H new ATOM 750 N ALA A 54 -13.039 -7.093 2.124 1.00 0.00 N ATOM 751 CA ALA A 54 -13.919 -8.202 2.470 1.00 0.00 C ATOM 752 C ALA A 54 -14.386 -8.103 3.917 1.00 0.00 C ATOM 753 O ALA A 54 -14.621 -9.116 4.575 1.00 0.00 O ATOM 754 CB ALA A 54 -13.214 -9.529 2.231 1.00 0.00 C ATOM 0 H ALA A 54 -13.379 -6.507 1.362 1.00 0.00 H new ATOM 0 HA ALA A 54 -14.798 -8.149 1.828 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -13.883 -10.349 2.494 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -12.937 -9.609 1.180 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -12.317 -9.581 2.848 1.00 0.00 H new ATOM 760 N GLY A 55 -14.519 -6.875 4.408 1.00 0.00 N ATOM 761 CA GLY A 55 -14.956 -6.666 5.775 1.00 0.00 C ATOM 762 C GLY A 55 -13.890 -7.032 6.788 1.00 0.00 C ATOM 763 O GLY A 55 -14.201 -7.416 7.917 1.00 0.00 O ATOM 0 H GLY A 55 -14.332 -6.021 3.883 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -15.235 -5.621 5.908 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.850 -7.261 5.962 1.00 0.00 H new ATOM 767 N THR A 56 -12.629 -6.914 6.386 1.00 0.00 N ATOM 768 CA THR A 56 -11.513 -7.234 7.267 1.00 0.00 C ATOM 769 C THR A 56 -10.437 -6.156 7.198 1.00 0.00 C ATOM 770 O THR A 56 -9.792 -5.974 6.165 1.00 0.00 O ATOM 771 CB THR A 56 -10.915 -8.592 6.893 1.00 0.00 C ATOM 772 OG1 THR A 56 -11.925 -9.583 6.827 1.00 0.00 O ATOM 773 CG2 THR A 56 -9.864 -9.073 7.870 1.00 0.00 C ATOM 0 H THR A 56 -12.355 -6.599 5.455 1.00 0.00 H new ATOM 0 HA THR A 56 -11.891 -7.279 8.288 1.00 0.00 H new ATOM 0 HB THR A 56 -10.444 -8.442 5.922 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.524 -10.444 6.585 1.00 0.00 H new ATOM 0 HG21 THR A 56 -9.482 -10.041 7.546 1.00 0.00 H new ATOM 0 HG22 THR A 56 -9.046 -8.354 7.908 1.00 0.00 H new ATOM 0 HG23 THR A 56 -10.307 -9.171 8.861 1.00 0.00 H new ATOM 781 N ARG A 57 -10.248 -5.443 8.303 1.00 0.00 N ATOM 782 CA ARG A 57 -9.251 -4.382 8.367 1.00 0.00 C ATOM 783 C ARG A 57 -7.906 -4.927 8.837 1.00 0.00 C ATOM 784 O ARG A 57 -7.748 -5.306 9.997 1.00 0.00 O ATOM 785 CB ARG A 57 -9.719 -3.269 9.308 1.00 0.00 C ATOM 786 CG ARG A 57 -8.748 -2.103 9.402 1.00 0.00 C ATOM 787 CD ARG A 57 -9.478 -0.789 9.624 1.00 0.00 C ATOM 788 NE ARG A 57 -10.363 -0.842 10.785 1.00 0.00 N ATOM 789 CZ ARG A 57 -9.933 -0.863 12.044 1.00 0.00 C ATOM 790 NH1 ARG A 57 -8.633 -0.835 12.310 1.00 0.00 N ATOM 791 NH2 ARG A 57 -10.806 -0.912 13.042 1.00 0.00 N ATOM 0 H ARG A 57 -10.773 -5.581 9.167 1.00 0.00 H new ATOM 0 HA ARG A 57 -9.128 -3.973 7.364 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -10.686 -2.899 8.967 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -9.870 -3.686 10.304 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.049 -2.275 10.220 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.159 -2.043 8.487 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -8.750 0.011 9.759 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -10.060 -0.543 8.736 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.369 -0.864 10.621 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -7.957 -0.797 11.547 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -8.310 -0.851 13.277 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -11.806 -0.934 12.844 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -10.477 -0.928 14.007 1.00 0.00 H new ATOM 805 N TYR A 58 -6.938 -4.963 7.926 1.00 0.00 N ATOM 806 CA TYR A 58 -5.606 -5.462 8.247 1.00 0.00 C ATOM 807 C TYR A 58 -4.807 -4.420 9.023 1.00 0.00 C ATOM 808 O TYR A 58 -4.095 -4.749 9.972 1.00 0.00 O ATOM 809 CB TYR A 58 -4.860 -5.844 6.968 1.00 0.00 C ATOM 810 CG TYR A 58 -5.682 -6.678 6.012 1.00 0.00 C ATOM 811 CD1 TYR A 58 -5.910 -8.027 6.255 1.00 0.00 C ATOM 812 CD2 TYR A 58 -6.232 -6.117 4.866 1.00 0.00 C ATOM 813 CE1 TYR A 58 -6.662 -8.792 5.384 1.00 0.00 C ATOM 814 CE2 TYR A 58 -6.985 -6.875 3.990 1.00 0.00 C ATOM 815 CZ TYR A 58 -7.196 -8.212 4.254 1.00 0.00 C ATOM 816 OH TYR A 58 -7.945 -8.972 3.384 1.00 0.00 O ATOM 0 H TYR A 58 -7.051 -4.653 6.961 1.00 0.00 H new ATOM 0 HA TYR A 58 -5.718 -6.348 8.872 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -4.539 -4.935 6.460 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -3.958 -6.395 7.235 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -5.492 -8.485 7.139 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -6.068 -5.070 4.656 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -6.830 -9.839 5.588 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -7.406 -6.423 3.104 1.00 0.00 H new ATOM 0 HH TYR A 58 -8.396 -9.687 3.879 1.00 0.00 H new ATOM 826 N PHE A 59 -4.933 -3.161 8.614 1.00 0.00 N ATOM 827 CA PHE A 59 -4.223 -2.071 9.271 1.00 0.00 C ATOM 828 C PHE A 59 -5.113 -0.837 9.391 1.00 0.00 C ATOM 829 O PHE A 59 -5.711 -0.394 8.410 1.00 0.00 O ATOM 830 CB PHE A 59 -2.951 -1.721 8.497 1.00 0.00 C ATOM 831 CG PHE A 59 -3.204 -1.325 7.070 1.00 0.00 C ATOM 832 CD1 PHE A 59 -3.234 -2.281 6.067 1.00 0.00 C ATOM 833 CD2 PHE A 59 -3.415 0.002 6.732 1.00 0.00 C ATOM 834 CE1 PHE A 59 -3.466 -1.920 4.754 1.00 0.00 C ATOM 835 CE2 PHE A 59 -3.648 0.369 5.420 1.00 0.00 C ATOM 836 CZ PHE A 59 -3.674 -0.593 4.430 1.00 0.00 C ATOM 0 H PHE A 59 -5.520 -2.872 7.831 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.951 -2.401 10.273 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -2.439 -0.905 9.006 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -2.278 -2.579 8.513 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.074 -3.320 6.315 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.397 0.758 7.503 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.485 -2.674 3.981 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.810 1.407 5.170 1.00 0.00 H new ATOM 0 HZ PHE A 59 -3.857 -0.309 3.404 1.00 0.00 H new ATOM 846 N GLN A 60 -5.199 -0.291 10.599 1.00 0.00 N ATOM 847 CA GLN A 60 -6.017 0.891 10.848 1.00 0.00 C ATOM 848 C GLN A 60 -5.533 2.074 10.015 1.00 0.00 C ATOM 849 O GLN A 60 -4.403 2.536 10.176 1.00 0.00 O ATOM 850 CB GLN A 60 -5.989 1.252 12.333 1.00 0.00 C ATOM 851 CG GLN A 60 -6.878 2.432 12.690 1.00 0.00 C ATOM 852 CD GLN A 60 -8.348 2.148 12.456 1.00 0.00 C ATOM 853 OE1 GLN A 60 -9.030 1.594 13.320 1.00 0.00 O ATOM 854 NE2 GLN A 60 -8.845 2.524 11.284 1.00 0.00 N ATOM 0 H GLN A 60 -4.712 -0.648 11.421 1.00 0.00 H new ATOM 0 HA GLN A 60 -7.042 0.661 10.557 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.300 0.384 12.915 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.963 1.480 12.624 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.725 2.693 13.737 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -6.581 3.298 12.098 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -8.244 2.980 10.598 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.828 2.357 11.070 1.00 0.00 H new ATOM 863 N CYS A 61 -6.395 2.561 9.129 1.00 0.00 N ATOM 864 CA CYS A 61 -6.056 3.692 8.274 1.00 0.00 C ATOM 865 C CYS A 61 -7.302 4.502 7.923 1.00 0.00 C ATOM 866 O CYS A 61 -8.393 3.948 7.783 1.00 0.00 O ATOM 867 CB CYS A 61 -5.370 3.204 6.995 1.00 0.00 C ATOM 868 SG CYS A 61 -3.571 3.380 7.011 1.00 0.00 S ATOM 0 H CYS A 61 -7.334 2.190 8.984 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.369 4.337 8.822 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -5.621 2.155 6.838 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -5.771 3.758 6.146 1.00 0.00 H new ATOM 0 HG CYS A 61 -3.023 2.268 6.619 1.00 0.00 H new ATOM 874 N PRO A 62 -7.155 5.830 7.774 1.00 0.00 N ATOM 875 CA PRO A 62 -8.276 6.715 7.439 1.00 0.00 C ATOM 876 C PRO A 62 -8.721 6.562 5.986 1.00 0.00 C ATOM 877 O PRO A 62 -7.916 6.243 5.112 1.00 0.00 O ATOM 878 CB PRO A 62 -7.705 8.112 7.679 1.00 0.00 C ATOM 879 CG PRO A 62 -6.238 7.962 7.466 1.00 0.00 C ATOM 880 CD PRO A 62 -5.889 6.573 7.924 1.00 0.00 C ATOM 0 HA PRO A 62 -9.163 6.494 8.032 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -8.133 8.839 6.989 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -7.925 8.462 8.688 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.980 8.102 6.416 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.684 8.710 8.033 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.095 6.138 7.317 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -5.541 6.567 8.957 1.00 0.00 H new ATOM 888 N PRO A 63 -10.019 6.790 5.707 1.00 0.00 N ATOM 889 CA PRO A 63 -10.566 6.677 4.351 1.00 0.00 C ATOM 890 C PRO A 63 -9.802 7.532 3.345 1.00 0.00 C ATOM 891 O PRO A 63 -9.390 8.650 3.653 1.00 0.00 O ATOM 892 CB PRO A 63 -12.003 7.183 4.499 1.00 0.00 C ATOM 893 CG PRO A 63 -12.334 6.976 5.936 1.00 0.00 C ATOM 894 CD PRO A 63 -11.050 7.174 6.689 1.00 0.00 C ATOM 0 HA PRO A 63 -10.498 5.658 3.970 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -12.082 8.234 4.222 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -12.685 6.631 3.853 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -13.094 7.684 6.267 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -12.735 5.976 6.104 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -10.930 8.207 7.015 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -11.007 6.551 7.582 1.00 0.00 H new ATOM 902 N LYS A 64 -9.618 6.999 2.141 1.00 0.00 N ATOM 903 CA LYS A 64 -8.905 7.714 1.088 1.00 0.00 C ATOM 904 C LYS A 64 -7.449 7.949 1.482 1.00 0.00 C ATOM 905 O LYS A 64 -6.985 9.089 1.538 1.00 0.00 O ATOM 906 CB LYS A 64 -9.591 9.049 0.792 1.00 0.00 C ATOM 907 CG LYS A 64 -11.102 8.940 0.659 1.00 0.00 C ATOM 908 CD LYS A 64 -11.497 8.172 -0.591 1.00 0.00 C ATOM 909 CE LYS A 64 -11.678 6.691 -0.302 1.00 0.00 C ATOM 910 NZ LYS A 64 -12.765 6.092 -1.126 1.00 0.00 N ATOM 0 H LYS A 64 -9.953 6.074 1.870 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.924 7.100 0.188 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.355 9.754 1.589 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.182 9.462 -0.130 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -11.511 8.441 1.538 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -11.538 9.938 0.627 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -12.424 8.581 -0.993 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -10.732 8.303 -1.357 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.743 6.166 -0.498 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.906 6.553 0.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -12.570 5.082 -1.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -13.674 6.199 -0.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -12.811 6.577 -2.045 1.00 0.00 H new ATOM 924 N PHE A 65 -6.731 6.864 1.751 1.00 0.00 N ATOM 925 CA PHE A 65 -5.328 6.950 2.137 1.00 0.00 C ATOM 926 C PHE A 65 -4.620 5.619 1.911 1.00 0.00 C ATOM 927 O PHE A 65 -3.515 5.576 1.367 1.00 0.00 O ATOM 928 CB PHE A 65 -5.206 7.363 3.605 1.00 0.00 C ATOM 929 CG PHE A 65 -5.388 8.837 3.830 1.00 0.00 C ATOM 930 CD1 PHE A 65 -4.373 9.729 3.520 1.00 0.00 C ATOM 931 CD2 PHE A 65 -6.573 9.330 4.350 1.00 0.00 C ATOM 932 CE1 PHE A 65 -4.538 11.085 3.726 1.00 0.00 C ATOM 933 CE2 PHE A 65 -6.743 10.686 4.559 1.00 0.00 C ATOM 934 CZ PHE A 65 -5.724 11.565 4.246 1.00 0.00 C ATOM 0 H PHE A 65 -7.098 5.913 1.709 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.851 7.706 1.513 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.948 6.820 4.190 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -4.226 7.065 3.978 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.443 9.360 3.113 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.373 8.648 4.595 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -3.740 11.770 3.480 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -7.671 11.058 4.967 1.00 0.00 H new ATOM 0 HZ PHE A 65 -5.855 12.625 4.408 1.00 0.00 H new ATOM 944 N GLY A 66 -5.262 4.533 2.329 1.00 0.00 N ATOM 945 CA GLY A 66 -4.679 3.216 2.160 1.00 0.00 C ATOM 946 C GLY A 66 -4.950 2.636 0.786 1.00 0.00 C ATOM 947 O GLY A 66 -6.102 2.402 0.420 1.00 0.00 O ATOM 0 H GLY A 66 -6.176 4.542 2.782 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.603 3.275 2.321 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -5.078 2.545 2.920 1.00 0.00 H new ATOM 951 N LEU A 67 -3.887 2.405 0.023 1.00 0.00 N ATOM 952 CA LEU A 67 -4.017 1.851 -1.320 1.00 0.00 C ATOM 953 C LEU A 67 -3.257 0.535 -1.444 1.00 0.00 C ATOM 954 O LEU A 67 -2.060 0.468 -1.166 1.00 0.00 O ATOM 955 CB LEU A 67 -3.502 2.851 -2.358 1.00 0.00 C ATOM 956 CG LEU A 67 -4.095 2.693 -3.760 1.00 0.00 C ATOM 957 CD1 LEU A 67 -4.504 4.045 -4.325 1.00 0.00 C ATOM 958 CD2 LEU A 67 -3.103 2.005 -4.685 1.00 0.00 C ATOM 0 H LEU A 67 -2.927 2.593 0.311 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.074 1.657 -1.504 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -3.712 3.860 -2.003 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.418 2.756 -2.426 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.986 2.069 -3.687 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.923 3.911 -5.322 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -5.252 4.500 -3.675 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.631 4.694 -4.383 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.542 1.901 -5.677 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -2.193 2.602 -4.751 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.862 1.018 -4.290 1.00 0.00 H new ATOM 970 N PHE A 68 -3.963 -0.512 -1.862 1.00 0.00 N ATOM 971 CA PHE A 68 -3.355 -1.828 -2.024 1.00 0.00 C ATOM 972 C PHE A 68 -2.794 -1.998 -3.433 1.00 0.00 C ATOM 973 O PHE A 68 -3.503 -1.807 -4.420 1.00 0.00 O ATOM 974 CB PHE A 68 -4.381 -2.925 -1.736 1.00 0.00 C ATOM 975 CG PHE A 68 -4.708 -3.076 -0.277 1.00 0.00 C ATOM 976 CD1 PHE A 68 -3.889 -3.821 0.556 1.00 0.00 C ATOM 977 CD2 PHE A 68 -5.835 -2.474 0.259 1.00 0.00 C ATOM 978 CE1 PHE A 68 -4.187 -3.961 1.897 1.00 0.00 C ATOM 979 CE2 PHE A 68 -6.137 -2.612 1.601 1.00 0.00 C ATOM 980 CZ PHE A 68 -5.313 -3.357 2.420 1.00 0.00 C ATOM 0 H PHE A 68 -4.955 -0.474 -2.094 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.534 -1.912 -1.312 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -5.297 -2.707 -2.284 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.002 -3.874 -2.115 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -3.008 -4.297 0.152 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -6.484 -1.891 -0.378 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.540 -4.543 2.536 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -7.017 -2.137 2.008 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.549 -3.467 3.468 1.00 0.00 H new ATOM 990 N ALA A 69 -1.519 -2.360 -3.517 1.00 0.00 N ATOM 991 CA ALA A 69 -0.864 -2.557 -4.803 1.00 0.00 C ATOM 992 C ALA A 69 0.134 -3.712 -4.742 1.00 0.00 C ATOM 993 O ALA A 69 0.800 -3.911 -3.725 1.00 0.00 O ATOM 994 CB ALA A 69 -0.167 -1.279 -5.242 1.00 0.00 C ATOM 0 H ALA A 69 -0.919 -2.523 -2.709 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.629 -2.811 -5.536 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.318 -1.441 -6.205 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.901 -0.478 -5.336 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.582 -1.000 -4.501 1.00 0.00 H new ATOM 1000 N PRO A 70 0.254 -4.491 -5.832 1.00 0.00 N ATOM 1001 CA PRO A 70 1.180 -5.627 -5.890 1.00 0.00 C ATOM 1002 C PRO A 70 2.610 -5.223 -5.554 1.00 0.00 C ATOM 1003 O PRO A 70 3.042 -4.114 -5.867 1.00 0.00 O ATOM 1004 CB PRO A 70 1.085 -6.095 -7.345 1.00 0.00 C ATOM 1005 CG PRO A 70 -0.244 -5.616 -7.815 1.00 0.00 C ATOM 1006 CD PRO A 70 -0.499 -4.325 -7.089 1.00 0.00 C ATOM 0 HA PRO A 70 0.922 -6.399 -5.165 1.00 0.00 H new ATOM 0 HB2 PRO A 70 1.891 -5.677 -7.948 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.162 -7.180 -7.417 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -0.245 -5.463 -8.894 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.022 -6.347 -7.596 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.146 -3.466 -7.659 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.562 -4.170 -6.904 1.00 0.00 H new ATOM 1014 N ILE A 71 3.342 -6.129 -4.913 1.00 0.00 N ATOM 1015 CA ILE A 71 4.725 -5.864 -4.535 1.00 0.00 C ATOM 1016 C ILE A 71 5.576 -5.535 -5.759 1.00 0.00 C ATOM 1017 O ILE A 71 6.350 -4.576 -5.750 1.00 0.00 O ATOM 1018 CB ILE A 71 5.344 -7.064 -3.790 1.00 0.00 C ATOM 1019 CG1 ILE A 71 6.760 -6.728 -3.317 1.00 0.00 C ATOM 1020 CG2 ILE A 71 5.356 -8.298 -4.681 1.00 0.00 C ATOM 1021 CD1 ILE A 71 7.199 -7.528 -2.109 1.00 0.00 C ATOM 0 H ILE A 71 3.001 -7.052 -4.645 1.00 0.00 H new ATOM 0 HA ILE A 71 4.713 -5.003 -3.867 1.00 0.00 H new ATOM 0 HB ILE A 71 4.731 -7.280 -2.915 1.00 0.00 H new ATOM 0 HG12 ILE A 71 7.459 -6.906 -4.134 1.00 0.00 H new ATOM 0 HG13 ILE A 71 6.812 -5.666 -3.078 1.00 0.00 H new ATOM 0 HG21 ILE A 71 5.796 -9.134 -4.138 1.00 0.00 H new ATOM 0 HG22 ILE A 71 4.335 -8.549 -4.968 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.945 -8.095 -5.575 1.00 0.00 H new ATOM 0 HD11 ILE A 71 8.212 -7.238 -1.829 1.00 0.00 H new ATOM 0 HD12 ILE A 71 6.522 -7.332 -1.277 1.00 0.00 H new ATOM 0 HD13 ILE A 71 7.179 -8.591 -2.350 1.00 0.00 H new ATOM 1033 N HIS A 72 5.427 -6.333 -6.812 1.00 0.00 N ATOM 1034 CA HIS A 72 6.184 -6.122 -8.042 1.00 0.00 C ATOM 1035 C HIS A 72 5.803 -4.797 -8.698 1.00 0.00 C ATOM 1036 O HIS A 72 6.563 -4.252 -9.499 1.00 0.00 O ATOM 1037 CB HIS A 72 5.947 -7.276 -9.019 1.00 0.00 C ATOM 1038 CG HIS A 72 4.508 -7.663 -9.158 1.00 0.00 C ATOM 1039 ND1 HIS A 72 3.872 -8.565 -8.334 1.00 0.00 N ATOM 1040 CD2 HIS A 72 3.574 -7.250 -10.053 1.00 0.00 C ATOM 1041 CE1 HIS A 72 2.601 -8.671 -8.745 1.00 0.00 C ATOM 1042 NE2 HIS A 72 2.368 -7.894 -9.785 1.00 0.00 N ATOM 0 H HIS A 72 4.791 -7.130 -6.839 1.00 0.00 H new ATOM 0 HA HIS A 72 7.242 -6.087 -7.784 1.00 0.00 H new ATOM 0 HB2 HIS A 72 6.335 -6.996 -9.999 1.00 0.00 H new ATOM 0 HB3 HIS A 72 6.517 -8.144 -8.687 1.00 0.00 H new ATOM 0 HD2 HIS A 72 3.740 -6.536 -10.846 1.00 0.00 H new ATOM 0 HE1 HIS A 72 1.863 -9.310 -8.284 1.00 0.00 H new ATOM 0 HE2 HIS A 72 1.487 -7.787 -10.289 1.00 0.00 H new ATOM 1050 N LYS A 73 4.627 -4.280 -8.352 1.00 0.00 N ATOM 1051 CA LYS A 73 4.155 -3.018 -8.910 1.00 0.00 C ATOM 1052 C LYS A 73 4.473 -1.852 -7.976 1.00 0.00 C ATOM 1053 O LYS A 73 3.826 -0.806 -8.035 1.00 0.00 O ATOM 1054 CB LYS A 73 2.648 -3.082 -9.167 1.00 0.00 C ATOM 1055 CG LYS A 73 2.270 -3.945 -10.359 1.00 0.00 C ATOM 1056 CD LYS A 73 2.725 -3.319 -11.667 1.00 0.00 C ATOM 1057 CE LYS A 73 4.011 -3.953 -12.171 1.00 0.00 C ATOM 1058 NZ LYS A 73 3.749 -5.013 -13.184 1.00 0.00 N ATOM 0 H LYS A 73 3.985 -4.715 -7.689 1.00 0.00 H new ATOM 0 HA LYS A 73 4.673 -2.854 -9.855 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.152 -3.469 -8.277 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.272 -2.071 -9.327 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.719 -4.932 -10.252 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.189 -4.087 -10.379 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.943 -3.434 -12.418 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.877 -2.249 -11.526 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.648 -3.184 -12.607 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.558 -4.381 -11.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.652 -5.420 -13.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.162 -5.760 -12.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 3.250 -4.600 -13.997 1.00 0.00 H new ATOM 1072 N VAL A 74 5.471 -2.035 -7.116 1.00 0.00 N ATOM 1073 CA VAL A 74 5.868 -0.995 -6.175 1.00 0.00 C ATOM 1074 C VAL A 74 7.364 -0.710 -6.269 1.00 0.00 C ATOM 1075 O VAL A 74 8.164 -1.616 -6.503 1.00 0.00 O ATOM 1076 CB VAL A 74 5.521 -1.386 -4.726 1.00 0.00 C ATOM 1077 CG1 VAL A 74 5.797 -0.229 -3.777 1.00 0.00 C ATOM 1078 CG2 VAL A 74 4.069 -1.835 -4.625 1.00 0.00 C ATOM 0 H VAL A 74 6.018 -2.893 -7.052 1.00 0.00 H new ATOM 0 HA VAL A 74 5.312 -0.097 -6.444 1.00 0.00 H new ATOM 0 HB VAL A 74 6.156 -2.222 -4.435 1.00 0.00 H new ATOM 0 HG11 VAL A 74 5.545 -0.526 -2.759 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.853 0.038 -3.827 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.191 0.630 -4.065 1.00 0.00 H new ATOM 0 HG21 VAL A 74 3.843 -2.107 -3.594 1.00 0.00 H new ATOM 0 HG22 VAL A 74 3.414 -1.022 -4.937 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.909 -2.698 -5.271 1.00 0.00 H new ATOM 1088 N ILE A 75 7.733 0.552 -6.085 1.00 0.00 N ATOM 1089 CA ILE A 75 9.133 0.957 -6.149 1.00 0.00 C ATOM 1090 C ILE A 75 9.584 1.579 -4.832 1.00 0.00 C ATOM 1091 O ILE A 75 9.055 2.604 -4.404 1.00 0.00 O ATOM 1092 CB ILE A 75 9.376 1.964 -7.290 1.00 0.00 C ATOM 1093 CG1 ILE A 75 8.789 1.440 -8.602 1.00 0.00 C ATOM 1094 CG2 ILE A 75 10.864 2.243 -7.445 1.00 0.00 C ATOM 1095 CD1 ILE A 75 8.054 2.495 -9.400 1.00 0.00 C ATOM 0 H ILE A 75 7.082 1.313 -5.890 1.00 0.00 H new ATOM 0 HA ILE A 75 9.715 0.056 -6.341 1.00 0.00 H new ATOM 0 HB ILE A 75 8.874 2.898 -7.038 1.00 0.00 H new ATOM 0 HG12 ILE A 75 9.594 1.030 -9.212 1.00 0.00 H new ATOM 0 HG13 ILE A 75 8.105 0.620 -8.383 1.00 0.00 H new ATOM 0 HG21 ILE A 75 11.018 2.956 -8.255 1.00 0.00 H new ATOM 0 HG22 ILE A 75 11.255 2.659 -6.516 1.00 0.00 H new ATOM 0 HG23 ILE A 75 11.386 1.314 -7.675 1.00 0.00 H new ATOM 0 HD11 ILE A 75 7.665 2.052 -10.317 1.00 0.00 H new ATOM 0 HD12 ILE A 75 7.228 2.889 -8.808 1.00 0.00 H new ATOM 0 HD13 ILE A 75 8.739 3.305 -9.651 1.00 0.00 H new ATOM 1107 N ARG A 76 10.567 0.952 -4.194 1.00 0.00 N ATOM 1108 CA ARG A 76 11.091 1.445 -2.926 1.00 0.00 C ATOM 1109 C ARG A 76 11.869 2.742 -3.127 1.00 0.00 C ATOM 1110 O ARG A 76 12.308 3.048 -4.235 1.00 0.00 O ATOM 1111 CB ARG A 76 11.988 0.388 -2.276 1.00 0.00 C ATOM 1112 CG ARG A 76 11.432 -0.167 -0.975 1.00 0.00 C ATOM 1113 CD ARG A 76 12.117 -1.466 -0.584 1.00 0.00 C ATOM 1114 NE ARG A 76 13.281 -1.238 0.270 1.00 0.00 N ATOM 1115 CZ ARG A 76 14.504 -0.981 -0.191 1.00 0.00 C ATOM 1116 NH1 ARG A 76 14.733 -0.920 -1.497 1.00 0.00 N ATOM 1117 NH2 ARG A 76 15.503 -0.785 0.659 1.00 0.00 N ATOM 0 H ARG A 76 11.016 0.102 -4.534 1.00 0.00 H new ATOM 0 HA ARG A 76 10.248 1.649 -2.266 1.00 0.00 H new ATOM 0 HB2 ARG A 76 12.135 -0.433 -2.978 1.00 0.00 H new ATOM 0 HB3 ARG A 76 12.969 0.824 -2.085 1.00 0.00 H new ATOM 0 HG2 ARG A 76 11.562 0.567 -0.180 1.00 0.00 H new ATOM 0 HG3 ARG A 76 10.360 -0.337 -1.080 1.00 0.00 H new ATOM 0 HD2 ARG A 76 11.406 -2.108 -0.064 1.00 0.00 H new ATOM 0 HD3 ARG A 76 12.427 -1.997 -1.484 1.00 0.00 H new ATOM 0 HE ARG A 76 13.149 -1.278 1.281 1.00 0.00 H new ATOM 0 HH11 ARG A 76 13.969 -1.070 -2.156 1.00 0.00 H new ATOM 0 HH12 ARG A 76 15.673 -0.723 -1.841 1.00 0.00 H new ATOM 0 HH21 ARG A 76 15.334 -0.831 1.664 1.00 0.00 H new ATOM 0 HH22 ARG A 76 16.440 -0.588 0.308 1.00 0.00 H new ATOM 1131 N ILE A 77 12.037 3.499 -2.048 1.00 0.00 N ATOM 1132 CA ILE A 77 12.762 4.762 -2.107 1.00 0.00 C ATOM 1133 C ILE A 77 13.834 4.832 -1.025 1.00 0.00 C ATOM 1134 O ILE A 77 15.002 5.094 -1.310 1.00 0.00 O ATOM 1135 CB ILE A 77 11.812 5.964 -1.950 1.00 0.00 C ATOM 1136 CG1 ILE A 77 10.613 5.821 -2.890 1.00 0.00 C ATOM 1137 CG2 ILE A 77 12.552 7.265 -2.222 1.00 0.00 C ATOM 1138 CD1 ILE A 77 9.458 6.733 -2.539 1.00 0.00 C ATOM 0 H ILE A 77 11.681 3.260 -1.123 1.00 0.00 H new ATOM 0 HA ILE A 77 13.235 4.808 -3.088 1.00 0.00 H new ATOM 0 HB ILE A 77 11.445 5.985 -0.924 1.00 0.00 H new ATOM 0 HG12 ILE A 77 10.934 6.031 -3.910 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.268 4.787 -2.871 1.00 0.00 H new ATOM 0 HG21 ILE A 77 11.866 8.104 -2.107 1.00 0.00 H new ATOM 0 HG22 ILE A 77 13.376 7.370 -1.516 1.00 0.00 H new ATOM 0 HG23 ILE A 77 12.945 7.254 -3.239 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.644 6.578 -3.247 1.00 0.00 H new ATOM 0 HD12 ILE A 77 9.110 6.508 -1.531 1.00 0.00 H new ATOM 0 HD13 ILE A 77 9.787 7.771 -2.586 1.00 0.00 H new ATOM 1150 N GLY A 78 13.428 4.596 0.219 1.00 0.00 N ATOM 1151 CA GLY A 78 14.366 4.637 1.325 1.00 0.00 C ATOM 1152 C GLY A 78 15.030 3.297 1.572 1.00 0.00 C ATOM 1153 O GLY A 78 14.353 2.295 1.808 1.00 0.00 O ATOM 0 H GLY A 78 12.467 4.377 0.480 1.00 0.00 H new ATOM 0 HA2 GLY A 78 15.131 5.386 1.121 1.00 0.00 H new ATOM 0 HA3 GLY A 78 13.844 4.952 2.228 1.00 0.00 H new ATOM 1157 N SER A 79 16.357 3.277 1.518 1.00 0.00 N ATOM 1158 CA SER A 79 17.113 2.049 1.737 1.00 0.00 C ATOM 1159 C SER A 79 17.623 1.973 3.172 1.00 0.00 C ATOM 1160 O SER A 79 17.750 0.888 3.740 1.00 0.00 O ATOM 1161 CB SER A 79 18.288 1.967 0.760 1.00 0.00 C ATOM 1162 OG SER A 79 18.874 0.677 0.775 1.00 0.00 O ATOM 0 H SER A 79 16.932 4.097 1.324 1.00 0.00 H new ATOM 0 HA SER A 79 16.446 1.205 1.563 1.00 0.00 H new ATOM 0 HB2 SER A 79 17.945 2.202 -0.247 1.00 0.00 H new ATOM 0 HB3 SER A 79 19.037 2.713 1.024 1.00 0.00 H new ATOM 0 HG SER A 79 19.621 0.650 0.142 1.00 0.00 H new ATOM 1168 N GLY A 80 17.915 3.132 3.753 1.00 0.00 N ATOM 1169 CA GLY A 80 18.407 3.174 5.118 1.00 0.00 C ATOM 1170 C GLY A 80 18.858 4.563 5.530 1.00 0.00 C ATOM 1171 O GLY A 80 18.708 5.518 4.767 1.00 0.00 O ATOM 0 H GLY A 80 17.820 4.043 3.303 1.00 0.00 H new ATOM 0 HA2 GLY A 80 17.622 2.835 5.794 1.00 0.00 H new ATOM 0 HA3 GLY A 80 19.240 2.479 5.222 1.00 0.00 H new ATOM 1175 N PRO A 81 19.418 4.709 6.744 1.00 0.00 N ATOM 1176 CA PRO A 81 19.889 6.004 7.245 1.00 0.00 C ATOM 1177 C PRO A 81 21.130 6.495 6.507 1.00 0.00 C ATOM 1178 O PRO A 81 21.504 5.948 5.469 1.00 0.00 O ATOM 1179 CB PRO A 81 20.216 5.720 8.713 1.00 0.00 C ATOM 1180 CG PRO A 81 20.517 4.262 8.758 1.00 0.00 C ATOM 1181 CD PRO A 81 19.635 3.625 7.720 1.00 0.00 C ATOM 0 HA PRO A 81 19.146 6.789 7.105 1.00 0.00 H new ATOM 0 HB2 PRO A 81 21.068 6.311 9.050 1.00 0.00 H new ATOM 0 HB3 PRO A 81 19.377 5.971 9.361 1.00 0.00 H new ATOM 0 HG2 PRO A 81 21.569 4.074 8.545 1.00 0.00 H new ATOM 0 HG3 PRO A 81 20.314 3.852 9.747 1.00 0.00 H new ATOM 0 HD2 PRO A 81 20.115 2.761 7.261 1.00 0.00 H new ATOM 0 HD3 PRO A 81 18.696 3.277 8.150 1.00 0.00 H new ATOM 1189 N SER A 82 21.765 7.528 7.049 1.00 0.00 N ATOM 1190 CA SER A 82 22.966 8.092 6.443 1.00 0.00 C ATOM 1191 C SER A 82 24.222 7.461 7.034 1.00 0.00 C ATOM 1192 O SER A 82 24.480 7.574 8.232 1.00 0.00 O ATOM 1193 CB SER A 82 23.000 9.608 6.641 1.00 0.00 C ATOM 1194 OG SER A 82 21.988 10.246 5.882 1.00 0.00 O ATOM 0 H SER A 82 21.468 7.992 7.907 1.00 0.00 H new ATOM 0 HA SER A 82 22.940 7.874 5.375 1.00 0.00 H new ATOM 0 HB2 SER A 82 22.869 9.843 7.697 1.00 0.00 H new ATOM 0 HB3 SER A 82 23.976 9.994 6.348 1.00 0.00 H new ATOM 0 HG SER A 82 22.031 11.214 6.028 1.00 0.00 H new ATOM 1200 N SER A 83 25.001 6.797 6.186 1.00 0.00 N ATOM 1201 CA SER A 83 26.230 6.148 6.625 1.00 0.00 C ATOM 1202 C SER A 83 27.338 6.325 5.591 1.00 0.00 C ATOM 1203 O SER A 83 27.123 6.911 4.530 1.00 0.00 O ATOM 1204 CB SER A 83 25.984 4.658 6.875 1.00 0.00 C ATOM 1205 OG SER A 83 25.649 4.418 8.231 1.00 0.00 O ATOM 0 H SER A 83 24.802 6.695 5.191 1.00 0.00 H new ATOM 0 HA SER A 83 26.547 6.618 7.556 1.00 0.00 H new ATOM 0 HB2 SER A 83 25.179 4.306 6.230 1.00 0.00 H new ATOM 0 HB3 SER A 83 26.876 4.089 6.611 1.00 0.00 H new ATOM 0 HG SER A 83 25.495 3.460 8.365 1.00 0.00 H new ATOM 1211 N GLY A 84 28.523 5.815 5.908 1.00 0.00 N ATOM 1212 CA GLY A 84 29.647 5.926 4.997 1.00 0.00 C ATOM 1213 C GLY A 84 30.892 5.241 5.524 1.00 0.00 C ATOM 1214 O GLY A 84 31.701 4.763 4.701 1.00 0.00 O ATOM 1215 OXT GLY A 84 31.059 5.182 6.761 1.00 0.00 O ATOM 0 H GLY A 84 28.725 5.326 6.780 1.00 0.00 H new ATOM 0 HA2 GLY A 84 29.376 5.490 4.036 1.00 0.00 H new ATOM 0 HA3 GLY A 84 29.864 6.979 4.819 1.00 0.00 H new TER 1219 GLY A 84