USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 862 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 Single : A 2 LYS NZ :NH3+ 147:sc= -0.298 (180deg=-2.35!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 145:sc= 0.679 USER MOD Single : A 26 TYR OH : rot 180:sc= -0.817 USER MOD Single : A 27 HIS : no HD1:sc= -0.266 X(o=-0.27,f=-0.11) USER MOD Single : A 30 THR OG1 : rot 5:sc= 0.641 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc=-0.00203 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 176:sc= 0.0236 (180deg=0.0211) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0.604 K(o=0.6,f=-3.9!) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN :FLIP amide:sc= -0.706 F(o=-1.6,f=-0.71) USER MOD Single : A 71 SER OG : rot -7:sc= 0.288 USER MOD Single : A 74 SER OG : rot 128:sc= 0.0547 USER MOD Single : A 80 THR OG1 : rot -96:sc= 1.47 USER MOD Single : A 87 THR OG1 : rot 52:sc= 0.189 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 HIS : no HE2:sc= 1.01 K(o=1,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -1.396 -0.289 14.727 1.00 0.00 N ATOM 21 CA LYS A 2 -0.855 -0.244 13.373 1.00 0.00 C ATOM 22 C LYS A 2 -1.883 -0.735 12.360 1.00 0.00 C ATOM 23 O LYS A 2 -2.570 -1.730 12.590 1.00 0.00 O ATOM 24 CB LYS A 2 0.418 -1.090 13.281 1.00 0.00 C ATOM 25 CG LYS A 2 1.382 -0.871 14.437 1.00 0.00 C ATOM 26 CD LYS A 2 2.587 -0.046 14.011 1.00 0.00 C ATOM 27 CE LYS A 2 3.869 -0.567 14.640 1.00 0.00 C ATOM 28 NZ LYS A 2 4.993 0.397 14.488 1.00 0.00 N ATOM 0 HA LYS A 2 -0.610 0.792 13.140 1.00 0.00 H new ATOM 0 HB2 LYS A 2 0.142 -2.144 13.245 1.00 0.00 H new ATOM 0 HB3 LYS A 2 0.929 -0.862 12.345 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.864 -0.366 15.253 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.717 -1.835 14.820 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.678 -0.067 12.925 1.00 0.00 H new ATOM 0 HD3 LYS A 2 2.437 0.995 14.298 1.00 0.00 H new ATOM 0 HE2 LYS A 2 3.700 -0.764 15.699 1.00 0.00 H new ATOM 0 HE3 LYS A 2 4.140 -1.517 14.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.619 0.334 15.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 5.532 0.169 13.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 4.614 1.363 14.413 1.00 0.00 H new ATOM 42 N ARG A 3 -1.983 -0.030 11.237 1.00 0.00 N ATOM 43 CA ARG A 3 -2.929 -0.392 10.187 1.00 0.00 C ATOM 44 C ARG A 3 -2.345 -0.103 8.808 1.00 0.00 C ATOM 45 O ARG A 3 -1.914 1.016 8.532 1.00 0.00 O ATOM 46 CB ARG A 3 -4.241 0.379 10.362 1.00 0.00 C ATOM 47 CG ARG A 3 -4.657 0.562 11.814 1.00 0.00 C ATOM 48 CD ARG A 3 -3.888 1.694 12.478 1.00 0.00 C ATOM 49 NE ARG A 3 -4.780 2.673 13.096 1.00 0.00 N ATOM 50 CZ ARG A 3 -5.392 3.647 12.425 1.00 0.00 C ATOM 51 NH1 ARG A 3 -5.212 3.777 11.116 1.00 0.00 N ATOM 52 NH2 ARG A 3 -6.185 4.495 13.064 1.00 0.00 N ATOM 0 H ARG A 3 -1.420 0.795 11.031 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.128 -1.461 10.267 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -4.140 1.359 9.896 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.034 -0.147 9.830 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -5.726 0.769 11.864 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.486 -0.365 12.362 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -3.220 1.283 13.235 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -3.262 2.191 11.737 1.00 0.00 H new ATOM 0 HE ARG A 3 -4.943 2.606 14.101 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -4.602 3.129 10.618 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -5.684 4.525 10.608 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -6.327 4.402 14.070 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -6.654 5.241 12.550 1.00 0.00 H new ATOM 66 N VAL A 4 -2.337 -1.110 7.940 1.00 0.00 N ATOM 67 CA VAL A 4 -1.811 -0.944 6.589 1.00 0.00 C ATOM 68 C VAL A 4 -2.907 -1.178 5.554 1.00 0.00 C ATOM 69 O VAL A 4 -3.782 -2.020 5.744 1.00 0.00 O ATOM 70 CB VAL A 4 -0.634 -1.902 6.314 1.00 0.00 C ATOM 71 CG1 VAL A 4 0.000 -1.592 4.967 1.00 0.00 C ATOM 72 CG2 VAL A 4 0.404 -1.815 7.425 1.00 0.00 C ATOM 0 H VAL A 4 -2.687 -2.046 8.146 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.447 0.080 6.509 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.021 -2.921 6.289 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.829 -2.277 4.789 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.744 -1.710 4.179 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.370 -0.567 4.966 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.225 -2.499 7.210 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.787 -0.796 7.486 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -0.056 -2.087 8.375 1.00 0.00 H new ATOM 82 N LEU A 5 -2.863 -0.424 4.463 1.00 0.00 N ATOM 83 CA LEU A 5 -3.864 -0.552 3.412 1.00 0.00 C ATOM 84 C LEU A 5 -3.333 -1.369 2.241 1.00 0.00 C ATOM 85 O LEU A 5 -2.265 -1.079 1.700 1.00 0.00 O ATOM 86 CB LEU A 5 -4.301 0.830 2.922 1.00 0.00 C ATOM 87 CG LEU A 5 -5.373 0.820 1.832 1.00 0.00 C ATOM 88 CD1 LEU A 5 -6.658 0.197 2.355 1.00 0.00 C ATOM 89 CD2 LEU A 5 -5.629 2.229 1.322 1.00 0.00 C ATOM 0 H LEU A 5 -2.147 0.280 4.283 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.724 -1.073 3.833 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.675 1.399 3.773 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.426 1.359 2.545 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.013 0.216 1.000 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.410 0.198 1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.463 -0.828 2.670 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -7.023 0.774 3.205 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.395 2.202 0.547 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.968 2.858 2.145 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.708 2.639 0.908 1.00 0.00 H new ATOM 101 N VAL A 6 -4.089 -2.391 1.852 1.00 0.00 N ATOM 102 CA VAL A 6 -3.695 -3.250 0.741 1.00 0.00 C ATOM 103 C VAL A 6 -4.636 -3.088 -0.450 1.00 0.00 C ATOM 104 O VAL A 6 -5.681 -3.735 -0.521 1.00 0.00 O ATOM 105 CB VAL A 6 -3.664 -4.732 1.158 1.00 0.00 C ATOM 106 CG1 VAL A 6 -3.105 -5.592 0.035 1.00 0.00 C ATOM 107 CG2 VAL A 6 -2.853 -4.911 2.433 1.00 0.00 C ATOM 0 H VAL A 6 -4.976 -2.644 2.288 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.692 -2.940 0.449 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.686 -5.056 1.357 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.091 -6.636 0.349 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.732 -5.487 -0.850 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.090 -5.270 -0.199 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.842 -5.965 2.712 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.832 -4.570 2.265 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.304 -4.327 3.236 1.00 0.00 H new ATOM 117 N VAL A 7 -4.251 -2.228 -1.385 1.00 0.00 N ATOM 118 CA VAL A 7 -5.052 -1.984 -2.580 1.00 0.00 C ATOM 119 C VAL A 7 -4.728 -3.014 -3.661 1.00 0.00 C ATOM 120 O VAL A 7 -3.598 -3.086 -4.141 1.00 0.00 O ATOM 121 CB VAL A 7 -4.805 -0.559 -3.125 1.00 0.00 C ATOM 122 CG1 VAL A 7 -5.536 -0.330 -4.442 1.00 0.00 C ATOM 123 CG2 VAL A 7 -5.219 0.480 -2.096 1.00 0.00 C ATOM 0 H VAL A 7 -3.388 -1.687 -1.339 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.103 -2.076 -2.305 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.737 -0.456 -3.319 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.340 0.682 -4.796 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.184 -1.048 -5.183 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.608 -0.460 -4.291 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.039 1.478 -2.494 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.279 0.365 -1.869 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.636 0.342 -1.185 1.00 0.00 H new ATOM 133 N ASP A 8 -5.724 -3.816 -4.035 1.00 0.00 N ATOM 134 CA ASP A 8 -5.531 -4.844 -5.053 1.00 0.00 C ATOM 135 C ASP A 8 -6.865 -5.265 -5.663 1.00 0.00 C ATOM 136 O ASP A 8 -7.902 -5.222 -5.001 1.00 0.00 O ATOM 137 CB ASP A 8 -4.826 -6.060 -4.447 1.00 0.00 C ATOM 138 CG ASP A 8 -4.534 -7.136 -5.476 1.00 0.00 C ATOM 139 OD1 ASP A 8 -5.498 -7.695 -6.041 1.00 0.00 O ATOM 140 OD2 ASP A 8 -3.342 -7.420 -5.715 1.00 0.00 O ATOM 0 H ASP A 8 -6.668 -3.773 -3.650 1.00 0.00 H new ATOM 0 HA ASP A 8 -4.908 -4.426 -5.844 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.892 -5.741 -3.985 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.447 -6.478 -3.655 1.00 0.00 H new ATOM 145 N ASP A 9 -6.830 -5.673 -6.927 1.00 0.00 N ATOM 146 CA ASP A 9 -8.036 -6.103 -7.625 1.00 0.00 C ATOM 147 C ASP A 9 -8.540 -7.437 -7.079 1.00 0.00 C ATOM 148 O ASP A 9 -9.538 -7.485 -6.359 1.00 0.00 O ATOM 149 CB ASP A 9 -7.770 -6.210 -9.128 1.00 0.00 C ATOM 150 CG ASP A 9 -8.989 -6.674 -9.903 1.00 0.00 C ATOM 151 OD1 ASP A 9 -9.865 -5.832 -10.190 1.00 0.00 O ATOM 152 OD2 ASP A 9 -9.066 -7.880 -10.222 1.00 0.00 O ATOM 0 H ASP A 9 -5.980 -5.715 -7.489 1.00 0.00 H new ATOM 0 HA ASP A 9 -8.810 -5.354 -7.456 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.451 -5.239 -9.507 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -6.948 -6.905 -9.300 1.00 0.00 H new ATOM 157 N GLU A 10 -7.847 -8.517 -7.425 1.00 0.00 N ATOM 158 CA GLU A 10 -8.232 -9.848 -6.967 1.00 0.00 C ATOM 159 C GLU A 10 -7.825 -10.064 -5.512 1.00 0.00 C ATOM 160 O GLU A 10 -7.064 -9.278 -4.947 1.00 0.00 O ATOM 161 CB GLU A 10 -7.595 -10.920 -7.852 1.00 0.00 C ATOM 162 CG GLU A 10 -8.285 -12.272 -7.763 1.00 0.00 C ATOM 163 CD GLU A 10 -8.079 -13.115 -9.005 1.00 0.00 C ATOM 164 OE1 GLU A 10 -6.932 -13.179 -9.497 1.00 0.00 O ATOM 165 OE2 GLU A 10 -9.065 -13.711 -9.488 1.00 0.00 O ATOM 0 H GLU A 10 -7.018 -8.497 -8.019 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.317 -9.928 -7.037 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.611 -10.581 -8.888 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.548 -11.036 -7.571 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.907 -12.812 -6.895 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.353 -12.121 -7.604 1.00 0.00 H new ATOM 217 N THR A 14 -4.496 -10.384 -0.675 1.00 0.00 N ATOM 218 CA THR A 14 -5.317 -10.053 0.485 1.00 0.00 C ATOM 219 C THR A 14 -5.679 -11.305 1.283 1.00 0.00 C ATOM 220 O THR A 14 -6.017 -11.220 2.463 1.00 0.00 O ATOM 221 CB THR A 14 -6.591 -9.333 0.042 1.00 0.00 C ATOM 222 OG1 THR A 14 -7.507 -10.245 -0.539 1.00 0.00 O ATOM 223 CG2 THR A 14 -6.337 -8.233 -0.967 1.00 0.00 C ATOM 0 HA THR A 14 -4.735 -9.394 1.130 1.00 0.00 H new ATOM 0 HB THR A 14 -7.000 -8.886 0.948 1.00 0.00 H new ATOM 0 HG1 THR A 14 -8.316 -9.765 -0.814 1.00 0.00 H new ATOM 0 HG21 THR A 14 -7.282 -7.763 -1.239 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.673 -7.486 -0.532 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.873 -8.656 -1.858 1.00 0.00 H new ATOM 231 N SER A 15 -5.607 -12.465 0.636 1.00 0.00 N ATOM 232 CA SER A 15 -5.929 -13.726 1.295 1.00 0.00 C ATOM 233 C SER A 15 -4.794 -14.168 2.213 1.00 0.00 C ATOM 234 O SER A 15 -5.024 -14.830 3.225 1.00 0.00 O ATOM 235 CB SER A 15 -6.212 -14.810 0.255 1.00 0.00 C ATOM 236 OG SER A 15 -7.184 -15.728 0.725 1.00 0.00 O ATOM 0 H SER A 15 -5.329 -12.557 -0.341 1.00 0.00 H new ATOM 0 HA SER A 15 -6.821 -13.572 1.902 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.560 -14.349 -0.669 1.00 0.00 H new ATOM 0 HB3 SER A 15 -5.290 -15.341 0.019 1.00 0.00 H new ATOM 0 HG SER A 15 -7.348 -16.410 0.040 1.00 0.00 H new ATOM 242 N SER A 16 -3.567 -13.802 1.852 1.00 0.00 N ATOM 243 CA SER A 16 -2.397 -14.166 2.645 1.00 0.00 C ATOM 244 C SER A 16 -1.813 -12.945 3.348 1.00 0.00 C ATOM 245 O SER A 16 -1.762 -12.891 4.578 1.00 0.00 O ATOM 246 CB SER A 16 -1.334 -14.813 1.755 1.00 0.00 C ATOM 247 OG SER A 16 -1.931 -15.534 0.691 1.00 0.00 O ATOM 0 H SER A 16 -3.358 -13.255 1.017 1.00 0.00 H new ATOM 0 HA SER A 16 -2.712 -14.882 3.404 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.675 -14.044 1.353 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.715 -15.484 2.351 1.00 0.00 H new ATOM 0 HG SER A 16 -1.231 -15.937 0.136 1.00 0.00 H new ATOM 253 N LEU A 17 -1.373 -11.966 2.559 1.00 0.00 N ATOM 254 CA LEU A 17 -0.788 -10.736 3.095 1.00 0.00 C ATOM 255 C LEU A 17 -1.602 -10.211 4.276 1.00 0.00 C ATOM 256 O LEU A 17 -1.057 -9.935 5.344 1.00 0.00 O ATOM 257 CB LEU A 17 -0.704 -9.676 1.989 1.00 0.00 C ATOM 258 CG LEU A 17 -0.132 -8.312 2.399 1.00 0.00 C ATOM 259 CD1 LEU A 17 -1.238 -7.399 2.902 1.00 0.00 C ATOM 260 CD2 LEU A 17 0.961 -8.465 3.449 1.00 0.00 C ATOM 0 H LEU A 17 -1.411 -12.001 1.540 1.00 0.00 H new ATOM 0 HA LEU A 17 0.217 -10.958 3.454 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.093 -10.074 1.179 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -1.705 -9.521 1.587 1.00 0.00 H new ATOM 0 HG LEU A 17 0.317 -7.857 1.516 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.813 -6.437 3.188 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.974 -7.250 2.112 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -1.720 -7.854 3.767 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.346 -7.482 3.719 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.550 -8.949 4.335 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.770 -9.074 3.046 1.00 0.00 H new ATOM 272 N SER A 18 -2.912 -10.087 4.084 1.00 0.00 N ATOM 273 CA SER A 18 -3.793 -9.608 5.142 1.00 0.00 C ATOM 274 C SER A 18 -3.619 -10.445 6.405 1.00 0.00 C ATOM 275 O SER A 18 -3.621 -9.919 7.518 1.00 0.00 O ATOM 276 CB SER A 18 -5.252 -9.652 4.681 1.00 0.00 C ATOM 277 OG SER A 18 -5.411 -9.010 3.428 1.00 0.00 O ATOM 0 H SER A 18 -3.385 -10.311 3.208 1.00 0.00 H new ATOM 0 HA SER A 18 -3.526 -8.576 5.368 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.582 -10.688 4.607 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.886 -9.168 5.424 1.00 0.00 H new ATOM 0 HG SER A 18 -6.100 -9.474 2.908 1.00 0.00 H new ATOM 283 N ALA A 19 -3.459 -11.752 6.220 1.00 0.00 N ATOM 284 CA ALA A 19 -3.275 -12.665 7.340 1.00 0.00 C ATOM 285 C ALA A 19 -1.936 -12.417 8.024 1.00 0.00 C ATOM 286 O ALA A 19 -1.841 -12.433 9.252 1.00 0.00 O ATOM 287 CB ALA A 19 -3.367 -14.107 6.865 1.00 0.00 C ATOM 0 H ALA A 19 -3.453 -12.201 5.304 1.00 0.00 H new ATOM 0 HA ALA A 19 -4.068 -12.483 8.065 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.228 -14.779 7.712 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.347 -14.282 6.421 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.593 -14.295 6.121 1.00 0.00 H new ATOM 293 N ILE A 20 -0.903 -12.181 7.220 1.00 0.00 N ATOM 294 CA ILE A 20 0.432 -11.921 7.746 1.00 0.00 C ATOM 295 C ILE A 20 0.412 -10.736 8.706 1.00 0.00 C ATOM 296 O ILE A 20 0.681 -10.888 9.896 1.00 0.00 O ATOM 297 CB ILE A 20 1.441 -11.656 6.602 1.00 0.00 C ATOM 298 CG1 ILE A 20 1.863 -12.971 5.954 1.00 0.00 C ATOM 299 CG2 ILE A 20 2.662 -10.894 7.108 1.00 0.00 C ATOM 300 CD1 ILE A 20 1.514 -13.060 4.485 1.00 0.00 C ATOM 0 H ILE A 20 -0.966 -12.165 6.202 1.00 0.00 H new ATOM 0 HA ILE A 20 0.752 -12.810 8.289 1.00 0.00 H new ATOM 0 HB ILE A 20 0.948 -11.037 5.853 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.939 -13.096 6.072 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.387 -13.797 6.483 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.352 -10.723 6.282 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.347 -9.936 7.522 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.160 -11.478 7.882 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.843 -14.021 4.090 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.435 -12.967 4.361 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.012 -12.256 3.943 1.00 0.00 H new ATOM 312 N LEU A 21 0.083 -9.559 8.184 1.00 0.00 N ATOM 313 CA LEU A 21 0.016 -8.357 9.002 1.00 0.00 C ATOM 314 C LEU A 21 -0.830 -8.605 10.246 1.00 0.00 C ATOM 315 O LEU A 21 -0.542 -8.087 11.325 1.00 0.00 O ATOM 316 CB LEU A 21 -0.568 -7.214 8.187 1.00 0.00 C ATOM 317 CG LEU A 21 0.286 -6.799 6.994 1.00 0.00 C ATOM 318 CD1 LEU A 21 -0.554 -6.757 5.731 1.00 0.00 C ATOM 319 CD2 LEU A 21 0.948 -5.457 7.255 1.00 0.00 C ATOM 0 H LEU A 21 -0.141 -9.414 7.200 1.00 0.00 H new ATOM 0 HA LEU A 21 1.024 -8.090 9.320 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.556 -7.505 7.829 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.706 -6.351 8.839 1.00 0.00 H new ATOM 0 HG LEU A 21 1.072 -7.540 6.853 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.070 -6.459 4.889 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.974 -7.745 5.540 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.363 -6.037 5.856 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.554 -5.176 6.393 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.182 -4.700 7.422 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.584 -5.531 8.137 1.00 0.00 H new ATOM 331 N GLU A 22 -1.870 -9.414 10.084 1.00 0.00 N ATOM 332 CA GLU A 22 -2.758 -9.751 11.186 1.00 0.00 C ATOM 333 C GLU A 22 -2.038 -10.606 12.225 1.00 0.00 C ATOM 334 O GLU A 22 -2.421 -10.630 13.394 1.00 0.00 O ATOM 335 CB GLU A 22 -3.989 -10.486 10.668 1.00 0.00 C ATOM 336 CG GLU A 22 -5.227 -10.277 11.524 1.00 0.00 C ATOM 337 CD GLU A 22 -5.890 -11.581 11.925 1.00 0.00 C ATOM 338 OE1 GLU A 22 -5.166 -12.582 12.111 1.00 0.00 O ATOM 339 OE2 GLU A 22 -7.132 -11.600 12.052 1.00 0.00 O ATOM 0 H GLU A 22 -2.118 -9.850 9.196 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.072 -8.823 11.663 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -4.200 -10.153 9.652 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.770 -11.552 10.615 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.953 -9.723 12.422 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.943 -9.664 10.976 1.00 0.00 H new ATOM 346 N GLU A 23 -0.990 -11.305 11.793 1.00 0.00 N ATOM 347 CA GLU A 23 -0.220 -12.155 12.687 1.00 0.00 C ATOM 348 C GLU A 23 0.791 -11.324 13.472 1.00 0.00 C ATOM 349 O GLU A 23 1.036 -11.579 14.651 1.00 0.00 O ATOM 350 CB GLU A 23 0.493 -13.248 11.883 1.00 0.00 C ATOM 351 CG GLU A 23 1.573 -13.977 12.662 1.00 0.00 C ATOM 352 CD GLU A 23 1.518 -15.481 12.471 1.00 0.00 C ATOM 353 OE1 GLU A 23 0.537 -16.102 12.935 1.00 0.00 O ATOM 354 OE2 GLU A 23 2.453 -16.037 11.858 1.00 0.00 O ATOM 0 H GLU A 23 -0.658 -11.297 10.829 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.899 -12.627 13.397 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.245 -13.972 11.539 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.939 -12.800 10.995 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.551 -13.611 12.349 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.470 -13.745 13.722 1.00 0.00 H new ATOM 361 N GLU A 24 1.373 -10.328 12.810 1.00 0.00 N ATOM 362 CA GLU A 24 2.354 -9.462 13.450 1.00 0.00 C ATOM 363 C GLU A 24 1.693 -8.568 14.494 1.00 0.00 C ATOM 364 O GLU A 24 2.169 -8.456 15.624 1.00 0.00 O ATOM 365 CB GLU A 24 3.072 -8.605 12.411 1.00 0.00 C ATOM 366 CG GLU A 24 4.576 -8.528 12.621 1.00 0.00 C ATOM 367 CD GLU A 24 4.965 -7.534 13.697 1.00 0.00 C ATOM 368 OE1 GLU A 24 4.201 -7.388 14.675 1.00 0.00 O ATOM 369 OE2 GLU A 24 6.033 -6.901 13.563 1.00 0.00 O ATOM 0 H GLU A 24 1.182 -10.102 11.834 1.00 0.00 H new ATOM 0 HA GLU A 24 3.085 -10.097 13.950 1.00 0.00 H new ATOM 0 HB2 GLU A 24 2.872 -9.009 11.418 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.658 -7.597 12.435 1.00 0.00 H new ATOM 0 HG2 GLU A 24 4.952 -9.515 12.890 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.056 -8.249 11.683 1.00 0.00 H new ATOM 376 N GLY A 25 0.595 -7.931 14.105 1.00 0.00 N ATOM 377 CA GLY A 25 -0.116 -7.051 15.007 1.00 0.00 C ATOM 378 C GLY A 25 -0.534 -5.760 14.336 1.00 0.00 C ATOM 379 O GLY A 25 -0.369 -4.676 14.897 1.00 0.00 O ATOM 0 H GLY A 25 0.184 -8.010 13.175 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.999 -7.562 15.389 1.00 0.00 H new ATOM 0 HA3 GLY A 25 0.517 -6.824 15.865 1.00 0.00 H new ATOM 383 N TYR A 26 -1.070 -5.875 13.126 1.00 0.00 N ATOM 384 CA TYR A 26 -1.510 -4.712 12.366 1.00 0.00 C ATOM 385 C TYR A 26 -3.024 -4.714 12.184 1.00 0.00 C ATOM 386 O TYR A 26 -3.733 -5.520 12.786 1.00 0.00 O ATOM 387 CB TYR A 26 -0.828 -4.692 10.996 1.00 0.00 C ATOM 388 CG TYR A 26 0.674 -4.547 11.061 1.00 0.00 C ATOM 389 CD1 TYR A 26 1.264 -3.293 11.158 1.00 0.00 C ATOM 390 CD2 TYR A 26 1.503 -5.661 11.022 1.00 0.00 C ATOM 391 CE1 TYR A 26 2.637 -3.154 11.215 1.00 0.00 C ATOM 392 CE2 TYR A 26 2.876 -5.530 11.079 1.00 0.00 C ATOM 393 CZ TYR A 26 3.438 -4.275 11.175 1.00 0.00 C ATOM 394 OH TYR A 26 4.807 -4.140 11.233 1.00 0.00 O ATOM 0 H TYR A 26 -1.210 -6.766 12.649 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.231 -3.819 12.926 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.071 -5.613 10.467 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -1.237 -3.870 10.409 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.639 -2.413 11.189 1.00 0.00 H new ATOM 0 HD2 TYR A 26 1.066 -6.646 10.946 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.081 -2.172 11.291 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.507 -6.406 11.049 1.00 0.00 H new ATOM 0 HH TYR A 26 5.225 -5.026 11.195 1.00 0.00 H new ATOM 404 N HIS A 27 -3.507 -3.807 11.341 1.00 0.00 N ATOM 405 CA HIS A 27 -4.932 -3.696 11.060 1.00 0.00 C ATOM 406 C HIS A 27 -5.162 -3.435 9.575 1.00 0.00 C ATOM 407 O HIS A 27 -5.529 -2.330 9.175 1.00 0.00 O ATOM 408 CB HIS A 27 -5.550 -2.571 11.893 1.00 0.00 C ATOM 409 CG HIS A 27 -6.934 -2.877 12.379 1.00 0.00 C ATOM 410 ND1 HIS A 27 -7.861 -1.900 12.675 1.00 0.00 N ATOM 411 CD2 HIS A 27 -7.547 -4.060 12.620 1.00 0.00 C ATOM 412 CE1 HIS A 27 -8.984 -2.469 13.077 1.00 0.00 C ATOM 413 NE2 HIS A 27 -8.820 -3.778 13.052 1.00 0.00 N ATOM 0 H HIS A 27 -2.927 -3.135 10.838 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.412 -4.637 11.328 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.908 -2.371 12.751 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.577 -1.660 11.295 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -7.115 -5.042 12.496 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -9.883 -1.951 13.375 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -9.524 -4.469 13.311 1.00 0.00 H new ATOM 422 N PRO A 28 -4.941 -4.457 8.733 1.00 0.00 N ATOM 423 CA PRO A 28 -5.114 -4.342 7.281 1.00 0.00 C ATOM 424 C PRO A 28 -6.527 -3.913 6.897 1.00 0.00 C ATOM 425 O PRO A 28 -7.507 -4.404 7.454 1.00 0.00 O ATOM 426 CB PRO A 28 -4.823 -5.753 6.767 1.00 0.00 C ATOM 427 CG PRO A 28 -4.009 -6.393 7.838 1.00 0.00 C ATOM 428 CD PRO A 28 -4.495 -5.803 9.130 1.00 0.00 C ATOM 0 HA PRO A 28 -4.460 -3.581 6.855 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.745 -6.306 6.588 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.280 -5.725 5.822 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -4.135 -7.476 7.831 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.947 -6.195 7.693 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.309 -6.387 9.560 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.703 -5.761 9.878 1.00 0.00 H new ATOM 436 N ASP A 29 -6.623 -2.988 5.945 1.00 0.00 N ATOM 437 CA ASP A 29 -7.927 -2.498 5.503 1.00 0.00 C ATOM 438 C ASP A 29 -8.235 -2.886 4.071 1.00 0.00 C ATOM 439 O ASP A 29 -9.373 -2.780 3.615 1.00 0.00 O ATOM 440 CB ASP A 29 -8.032 -0.985 5.682 1.00 0.00 C ATOM 441 CG ASP A 29 -9.471 -0.515 5.767 1.00 0.00 C ATOM 442 OD1 ASP A 29 -10.094 -0.698 6.834 1.00 0.00 O ATOM 443 OD2 ASP A 29 -9.974 0.037 4.766 1.00 0.00 O ATOM 0 H ASP A 29 -5.825 -2.567 5.470 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.673 -2.979 6.135 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.502 -0.691 6.588 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.538 -0.487 4.847 1.00 0.00 H new ATOM 448 N THR A 30 -7.218 -3.345 3.386 1.00 0.00 N ATOM 449 CA THR A 30 -7.329 -3.778 1.993 1.00 0.00 C ATOM 450 C THR A 30 -8.145 -2.809 1.138 1.00 0.00 C ATOM 451 O THR A 30 -8.681 -1.816 1.626 1.00 0.00 O ATOM 452 CB THR A 30 -7.950 -5.171 1.917 1.00 0.00 C ATOM 453 OG1 THR A 30 -9.281 -5.155 2.401 1.00 0.00 O ATOM 454 CG2 THR A 30 -7.186 -6.212 2.707 1.00 0.00 C ATOM 0 H THR A 30 -6.278 -3.434 3.771 1.00 0.00 H new ATOM 0 HA THR A 30 -6.316 -3.799 1.591 1.00 0.00 H new ATOM 0 HB THR A 30 -7.917 -5.443 0.862 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.545 -4.233 2.603 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.681 -7.178 2.610 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.168 -6.286 2.323 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.158 -5.923 3.758 1.00 0.00 H new ATOM 462 N ALA A 31 -8.229 -3.121 -0.149 1.00 0.00 N ATOM 463 CA ALA A 31 -8.971 -2.308 -1.098 1.00 0.00 C ATOM 464 C ALA A 31 -9.294 -3.116 -2.351 1.00 0.00 C ATOM 465 O ALA A 31 -9.174 -4.340 -2.355 1.00 0.00 O ATOM 466 CB ALA A 31 -8.178 -1.061 -1.454 1.00 0.00 C ATOM 0 H ALA A 31 -7.786 -3.942 -0.561 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.910 -2.001 -0.637 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.745 -0.460 -2.166 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.994 -0.477 -0.552 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.226 -1.350 -1.900 1.00 0.00 H new ATOM 472 N LYS A 32 -9.700 -2.429 -3.411 1.00 0.00 N ATOM 473 CA LYS A 32 -10.034 -3.099 -4.665 1.00 0.00 C ATOM 474 C LYS A 32 -9.230 -2.523 -5.825 1.00 0.00 C ATOM 475 O LYS A 32 -8.842 -3.244 -6.743 1.00 0.00 O ATOM 476 CB LYS A 32 -11.531 -2.975 -4.958 1.00 0.00 C ATOM 477 CG LYS A 32 -12.410 -3.125 -3.728 1.00 0.00 C ATOM 478 CD LYS A 32 -13.879 -2.922 -4.066 1.00 0.00 C ATOM 479 CE LYS A 32 -14.668 -2.437 -2.859 1.00 0.00 C ATOM 480 NZ LYS A 32 -15.615 -3.473 -2.363 1.00 0.00 N ATOM 0 H LYS A 32 -9.806 -1.415 -3.430 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.779 -4.153 -4.557 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.723 -2.004 -5.415 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.813 -3.733 -5.689 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.268 -4.116 -3.297 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.106 -2.401 -2.972 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -13.970 -2.198 -4.876 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.303 -3.859 -4.426 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.978 -2.163 -2.060 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -15.222 -1.536 -3.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -16.133 -3.104 -1.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -16.289 -3.716 -3.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -15.085 -4.323 -2.085 1.00 0.00 H new ATOM 494 N THR A 33 -8.982 -1.220 -5.775 1.00 0.00 N ATOM 495 CA THR A 33 -8.223 -0.544 -6.818 1.00 0.00 C ATOM 496 C THR A 33 -7.806 0.843 -6.350 1.00 0.00 C ATOM 497 O THR A 33 -8.159 1.268 -5.251 1.00 0.00 O ATOM 498 CB THR A 33 -9.054 -0.440 -8.099 1.00 0.00 C ATOM 499 OG1 THR A 33 -10.438 -0.523 -7.807 1.00 0.00 O ATOM 500 CG2 THR A 33 -8.733 -1.520 -9.110 1.00 0.00 C ATOM 0 H THR A 33 -9.297 -0.610 -5.021 1.00 0.00 H new ATOM 0 HA THR A 33 -7.327 -1.128 -7.030 1.00 0.00 H new ATOM 0 HB THR A 33 -8.799 0.528 -8.531 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.952 -0.453 -8.638 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.357 -1.388 -9.994 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.683 -1.452 -9.394 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.928 -2.499 -8.671 1.00 0.00 H new ATOM 508 N LEU A 34 -7.053 1.547 -7.186 1.00 0.00 N ATOM 509 CA LEU A 34 -6.596 2.886 -6.844 1.00 0.00 C ATOM 510 C LEU A 34 -7.780 3.819 -6.630 1.00 0.00 C ATOM 511 O LEU A 34 -7.757 4.672 -5.743 1.00 0.00 O ATOM 512 CB LEU A 34 -5.673 3.429 -7.935 1.00 0.00 C ATOM 513 CG LEU A 34 -4.229 2.932 -7.851 1.00 0.00 C ATOM 514 CD1 LEU A 34 -3.424 3.408 -9.053 1.00 0.00 C ATOM 515 CD2 LEU A 34 -3.587 3.393 -6.549 1.00 0.00 C ATOM 0 H LEU A 34 -6.748 1.214 -8.101 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.033 2.831 -5.912 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.082 3.156 -8.908 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.672 4.518 -7.884 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.236 1.842 -7.863 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.400 3.043 -8.973 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.875 3.024 -9.968 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.420 4.498 -9.080 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.559 3.032 -6.502 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.591 4.482 -6.507 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.150 2.995 -5.705 1.00 0.00 H new ATOM 527 N ARG A 35 -8.824 3.639 -7.431 1.00 0.00 N ATOM 528 CA ARG A 35 -10.022 4.454 -7.306 1.00 0.00 C ATOM 529 C ARG A 35 -10.715 4.147 -5.984 1.00 0.00 C ATOM 530 O ARG A 35 -11.076 5.053 -5.229 1.00 0.00 O ATOM 531 CB ARG A 35 -10.977 4.191 -8.472 1.00 0.00 C ATOM 532 CG ARG A 35 -12.121 5.190 -8.559 1.00 0.00 C ATOM 533 CD ARG A 35 -13.455 4.493 -8.774 1.00 0.00 C ATOM 534 NE ARG A 35 -14.581 5.412 -8.628 1.00 0.00 N ATOM 535 CZ ARG A 35 -14.972 5.928 -7.465 1.00 0.00 C ATOM 536 NH1 ARG A 35 -14.331 5.619 -6.344 1.00 0.00 N ATOM 537 NH2 ARG A 35 -16.007 6.756 -7.422 1.00 0.00 N ATOM 0 H ARG A 35 -8.863 2.938 -8.171 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.735 5.505 -7.328 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -10.413 4.214 -9.405 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -11.389 3.187 -8.374 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -12.161 5.780 -7.643 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.937 5.885 -9.378 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -13.476 4.049 -9.769 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -13.557 3.677 -8.059 1.00 0.00 H new ATOM 0 HE ARG A 35 -15.098 5.674 -9.467 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -13.534 4.983 -6.371 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -14.635 6.018 -5.456 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -16.503 6.997 -8.280 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -16.307 7.152 -6.531 1.00 0.00 H new ATOM 551 N GLU A 36 -10.880 2.857 -5.705 1.00 0.00 N ATOM 552 CA GLU A 36 -11.510 2.416 -4.469 1.00 0.00 C ATOM 553 C GLU A 36 -10.649 2.798 -3.271 1.00 0.00 C ATOM 554 O GLU A 36 -11.162 3.073 -2.187 1.00 0.00 O ATOM 555 CB GLU A 36 -11.733 0.903 -4.493 1.00 0.00 C ATOM 556 CG GLU A 36 -12.787 0.426 -3.508 1.00 0.00 C ATOM 557 CD GLU A 36 -12.221 0.171 -2.126 1.00 0.00 C ATOM 558 OE1 GLU A 36 -11.039 -0.219 -2.032 1.00 0.00 O ATOM 559 OE2 GLU A 36 -12.959 0.364 -1.137 1.00 0.00 O ATOM 0 H GLU A 36 -10.585 2.099 -6.321 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.477 2.911 -4.380 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -12.027 0.604 -5.499 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -10.790 0.402 -4.274 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -13.579 1.172 -3.440 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.243 -0.490 -3.884 1.00 0.00 H new ATOM 566 N ALA A 37 -9.334 2.821 -3.478 1.00 0.00 N ATOM 567 CA ALA A 37 -8.405 3.179 -2.416 1.00 0.00 C ATOM 568 C ALA A 37 -8.530 4.655 -2.075 1.00 0.00 C ATOM 569 O ALA A 37 -8.930 5.013 -0.969 1.00 0.00 O ATOM 570 CB ALA A 37 -6.978 2.845 -2.821 1.00 0.00 C ATOM 0 H ALA A 37 -8.892 2.596 -4.369 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.656 2.598 -1.529 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.297 3.119 -2.015 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.896 1.776 -3.017 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.716 3.400 -3.722 1.00 0.00 H new ATOM 576 N GLU A 38 -8.181 5.511 -3.035 1.00 0.00 N ATOM 577 CA GLU A 38 -8.250 6.957 -2.844 1.00 0.00 C ATOM 578 C GLU A 38 -9.523 7.345 -2.105 1.00 0.00 C ATOM 579 O GLU A 38 -9.501 8.194 -1.215 1.00 0.00 O ATOM 580 CB GLU A 38 -8.187 7.671 -4.192 1.00 0.00 C ATOM 581 CG GLU A 38 -7.412 8.978 -4.158 1.00 0.00 C ATOM 582 CD GLU A 38 -8.180 10.129 -4.777 1.00 0.00 C ATOM 583 OE1 GLU A 38 -9.427 10.121 -4.700 1.00 0.00 O ATOM 584 OE2 GLU A 38 -7.535 11.038 -5.340 1.00 0.00 O ATOM 0 H GLU A 38 -7.847 5.225 -3.955 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.396 7.263 -2.240 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.728 7.006 -4.924 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.202 7.870 -4.535 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.167 9.224 -3.125 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.468 8.850 -4.687 1.00 0.00 H new ATOM 591 N LYS A 39 -10.624 6.704 -2.468 1.00 0.00 N ATOM 592 CA LYS A 39 -11.899 6.970 -1.820 1.00 0.00 C ATOM 593 C LYS A 39 -11.829 6.560 -0.353 1.00 0.00 C ATOM 594 O LYS A 39 -12.210 7.321 0.537 1.00 0.00 O ATOM 595 CB LYS A 39 -13.026 6.214 -2.526 1.00 0.00 C ATOM 596 CG LYS A 39 -14.389 6.406 -1.880 1.00 0.00 C ATOM 597 CD LYS A 39 -14.592 5.450 -0.715 1.00 0.00 C ATOM 598 CE LYS A 39 -16.060 5.109 -0.525 1.00 0.00 C ATOM 599 NZ LYS A 39 -16.297 4.353 0.735 1.00 0.00 N ATOM 0 H LYS A 39 -10.660 5.999 -3.204 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.109 8.038 -1.882 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.077 6.542 -3.564 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.786 5.151 -2.539 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.486 7.434 -1.530 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.171 6.247 -2.623 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.025 4.536 -0.890 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.200 5.899 0.198 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.647 6.027 -0.513 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.408 4.519 -1.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.311 4.140 0.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.757 3.464 0.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.989 4.926 1.547 1.00 0.00 H new ATOM 613 N LYS A 40 -11.339 5.348 -0.114 1.00 0.00 N ATOM 614 CA LYS A 40 -11.211 4.821 1.240 1.00 0.00 C ATOM 615 C LYS A 40 -10.130 5.558 2.029 1.00 0.00 C ATOM 616 O LYS A 40 -10.175 5.604 3.257 1.00 0.00 O ATOM 617 CB LYS A 40 -10.895 3.330 1.199 1.00 0.00 C ATOM 618 CG LYS A 40 -12.128 2.447 1.095 1.00 0.00 C ATOM 619 CD LYS A 40 -12.494 1.841 2.441 1.00 0.00 C ATOM 620 CE LYS A 40 -13.924 1.327 2.450 1.00 0.00 C ATOM 621 NZ LYS A 40 -14.010 -0.087 1.992 1.00 0.00 N ATOM 0 H LYS A 40 -11.023 4.710 -0.844 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.164 4.976 1.746 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.242 3.129 0.349 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.340 3.060 2.098 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.966 3.033 0.719 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.947 1.651 0.373 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -11.811 1.023 2.671 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -12.370 2.589 3.224 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -14.332 1.407 3.458 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -14.539 1.955 1.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -14.991 -0.420 2.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.708 -0.149 0.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -13.391 -0.681 2.580 1.00 0.00 H new ATOM 635 N ILE A 41 -9.157 6.129 1.322 1.00 0.00 N ATOM 636 CA ILE A 41 -8.072 6.853 1.974 1.00 0.00 C ATOM 637 C ILE A 41 -8.389 8.341 2.097 1.00 0.00 C ATOM 638 O ILE A 41 -7.806 9.042 2.926 1.00 0.00 O ATOM 639 CB ILE A 41 -6.748 6.688 1.204 1.00 0.00 C ATOM 640 CG1 ILE A 41 -6.464 5.209 0.936 1.00 0.00 C ATOM 641 CG2 ILE A 41 -5.601 7.321 1.977 1.00 0.00 C ATOM 642 CD1 ILE A 41 -5.756 4.958 -0.377 1.00 0.00 C ATOM 0 H ILE A 41 -9.099 6.104 0.304 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.966 6.426 2.971 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.840 7.199 0.245 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.857 4.811 1.749 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -7.405 4.660 0.943 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.673 7.195 1.419 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.799 8.384 2.117 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.508 6.838 2.950 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -5.587 3.888 -0.501 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.371 5.326 -1.198 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.799 5.479 -0.380 1.00 0.00 H new ATOM 654 N LYS A 42 -9.313 8.820 1.268 1.00 0.00 N ATOM 655 CA LYS A 42 -9.706 10.226 1.280 1.00 0.00 C ATOM 656 C LYS A 42 -9.978 10.723 2.698 1.00 0.00 C ATOM 657 O LYS A 42 -9.838 11.912 2.984 1.00 0.00 O ATOM 658 CB LYS A 42 -10.946 10.431 0.412 1.00 0.00 C ATOM 659 CG LYS A 42 -11.124 11.862 -0.064 1.00 0.00 C ATOM 660 CD LYS A 42 -12.595 12.239 -0.160 1.00 0.00 C ATOM 661 CE LYS A 42 -13.065 12.295 -1.605 1.00 0.00 C ATOM 662 NZ LYS A 42 -14.506 12.653 -1.707 1.00 0.00 N ATOM 0 H LYS A 42 -9.805 8.253 0.577 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.876 10.805 0.875 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -10.885 9.773 -0.455 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.829 10.132 0.977 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -10.618 12.541 0.622 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.652 11.984 -1.039 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.194 11.513 0.390 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.755 13.208 0.313 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -12.470 13.026 -2.152 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -12.897 11.328 -2.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -14.787 12.681 -2.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.077 11.942 -1.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -14.663 13.587 -1.278 1.00 0.00 H new ATOM 676 N GLU A 43 -10.369 9.809 3.581 1.00 0.00 N ATOM 677 CA GLU A 43 -10.663 10.163 4.964 1.00 0.00 C ATOM 678 C GLU A 43 -9.756 9.407 5.930 1.00 0.00 C ATOM 679 O GLU A 43 -9.131 10.004 6.806 1.00 0.00 O ATOM 680 CB GLU A 43 -12.129 9.870 5.286 1.00 0.00 C ATOM 681 CG GLU A 43 -13.108 10.566 4.354 1.00 0.00 C ATOM 682 CD GLU A 43 -14.235 9.656 3.906 1.00 0.00 C ATOM 683 OE1 GLU A 43 -14.849 9.000 4.773 1.00 0.00 O ATOM 684 OE2 GLU A 43 -14.503 9.599 2.688 1.00 0.00 O ATOM 0 H GLU A 43 -10.489 8.820 3.363 1.00 0.00 H new ATOM 0 HA GLU A 43 -10.477 11.230 5.085 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.295 8.794 5.236 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.335 10.177 6.311 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.528 11.436 4.858 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.572 10.933 3.478 1.00 0.00 H new ATOM 691 N LEU A 44 -9.693 8.090 5.768 1.00 0.00 N ATOM 692 CA LEU A 44 -8.868 7.250 6.629 1.00 0.00 C ATOM 693 C LEU A 44 -7.403 7.680 6.578 1.00 0.00 C ATOM 694 O LEU A 44 -6.823 7.817 5.501 1.00 0.00 O ATOM 695 CB LEU A 44 -8.998 5.781 6.218 1.00 0.00 C ATOM 696 CG LEU A 44 -9.363 4.821 7.351 1.00 0.00 C ATOM 697 CD1 LEU A 44 -8.324 4.883 8.459 1.00 0.00 C ATOM 698 CD2 LEU A 44 -10.746 5.146 7.896 1.00 0.00 C ATOM 0 H LEU A 44 -10.204 7.580 5.047 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.222 7.367 7.653 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -9.756 5.704 5.438 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.054 5.458 5.778 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.378 3.806 6.953 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.601 4.193 9.256 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.349 4.604 8.060 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -8.276 5.897 8.857 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -10.991 4.454 8.702 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -10.756 6.167 8.279 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -11.483 5.050 7.099 1.00 0.00 H new ATOM 710 N PHE A 45 -6.812 7.886 7.751 1.00 0.00 N ATOM 711 CA PHE A 45 -5.414 8.292 7.842 1.00 0.00 C ATOM 712 C PHE A 45 -4.496 7.073 7.807 1.00 0.00 C ATOM 713 O PHE A 45 -3.863 6.730 8.805 1.00 0.00 O ATOM 714 CB PHE A 45 -5.177 9.093 9.126 1.00 0.00 C ATOM 715 CG PHE A 45 -3.909 9.898 9.107 1.00 0.00 C ATOM 716 CD1 PHE A 45 -3.732 10.915 8.183 1.00 0.00 C ATOM 717 CD2 PHE A 45 -2.896 9.638 10.016 1.00 0.00 C ATOM 718 CE1 PHE A 45 -2.567 11.657 8.164 1.00 0.00 C ATOM 719 CE2 PHE A 45 -1.729 10.378 10.003 1.00 0.00 C ATOM 720 CZ PHE A 45 -1.564 11.389 9.076 1.00 0.00 C ATOM 0 H PHE A 45 -7.279 7.778 8.651 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.183 8.923 6.984 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.021 9.764 9.287 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.149 8.407 9.972 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.514 11.130 7.469 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.020 8.849 10.742 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.440 12.446 7.437 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -0.947 10.166 10.717 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.653 11.969 9.064 1.00 0.00 H new ATOM 730 N PHE A 46 -4.438 6.421 6.652 1.00 0.00 N ATOM 731 CA PHE A 46 -3.607 5.235 6.483 1.00 0.00 C ATOM 732 C PHE A 46 -2.122 5.575 6.607 1.00 0.00 C ATOM 733 O PHE A 46 -1.606 6.412 5.867 1.00 0.00 O ATOM 734 CB PHE A 46 -3.875 4.597 5.119 1.00 0.00 C ATOM 735 CG PHE A 46 -5.091 3.717 5.092 1.00 0.00 C ATOM 736 CD1 PHE A 46 -5.155 2.574 5.872 1.00 0.00 C ATOM 737 CD2 PHE A 46 -6.170 4.030 4.280 1.00 0.00 C ATOM 738 CE1 PHE A 46 -6.274 1.761 5.844 1.00 0.00 C ATOM 739 CE2 PHE A 46 -7.289 3.223 4.247 1.00 0.00 C ATOM 740 CZ PHE A 46 -7.340 2.086 5.030 1.00 0.00 C ATOM 0 H PHE A 46 -4.957 6.694 5.818 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.865 4.531 7.274 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.992 5.386 4.376 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.005 4.009 4.826 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.322 2.315 6.509 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.134 4.917 3.665 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.313 0.873 6.458 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.123 3.480 3.611 1.00 0.00 H new ATOM 0 HZ PHE A 46 -8.214 1.452 5.005 1.00 0.00 H new ATOM 750 N PRO A 47 -1.408 4.922 7.544 1.00 0.00 N ATOM 751 CA PRO A 47 0.023 5.157 7.751 1.00 0.00 C ATOM 752 C PRO A 47 0.877 4.472 6.688 1.00 0.00 C ATOM 753 O PRO A 47 1.975 4.923 6.373 1.00 0.00 O ATOM 754 CB PRO A 47 0.281 4.536 9.123 1.00 0.00 C ATOM 755 CG PRO A 47 -0.716 3.435 9.223 1.00 0.00 C ATOM 756 CD PRO A 47 -1.936 3.901 8.471 1.00 0.00 C ATOM 0 HA PRO A 47 0.281 6.214 7.689 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.300 4.158 9.203 1.00 0.00 H new ATOM 0 HB3 PRO A 47 0.148 5.266 9.921 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.323 2.514 8.793 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.958 3.223 10.264 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.413 3.081 7.934 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.685 4.320 9.143 1.00 0.00 H new ATOM 764 N VAL A 48 0.364 3.371 6.151 1.00 0.00 N ATOM 765 CA VAL A 48 1.073 2.611 5.131 1.00 0.00 C ATOM 766 C VAL A 48 0.124 2.105 4.051 1.00 0.00 C ATOM 767 O VAL A 48 -0.866 1.440 4.347 1.00 0.00 O ATOM 768 CB VAL A 48 1.790 1.409 5.759 1.00 0.00 C ATOM 769 CG1 VAL A 48 2.796 0.808 4.792 1.00 0.00 C ATOM 770 CG2 VAL A 48 2.457 1.833 7.048 1.00 0.00 C ATOM 0 H VAL A 48 -0.544 2.984 6.407 1.00 0.00 H new ATOM 0 HA VAL A 48 1.800 3.284 4.676 1.00 0.00 H new ATOM 0 HB VAL A 48 1.055 0.636 5.983 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.290 -0.042 5.263 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.281 0.475 3.891 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.540 1.559 4.528 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.966 0.978 7.493 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.183 2.619 6.841 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.704 2.208 7.741 1.00 0.00 H new ATOM 780 N ILE A 49 0.434 2.423 2.803 1.00 0.00 N ATOM 781 CA ILE A 49 -0.385 1.997 1.674 1.00 0.00 C ATOM 782 C ILE A 49 0.350 0.948 0.847 1.00 0.00 C ATOM 783 O ILE A 49 1.578 0.960 0.767 1.00 0.00 O ATOM 784 CB ILE A 49 -0.759 3.183 0.763 1.00 0.00 C ATOM 785 CG1 ILE A 49 -1.184 4.389 1.602 1.00 0.00 C ATOM 786 CG2 ILE A 49 -1.867 2.783 -0.198 1.00 0.00 C ATOM 787 CD1 ILE A 49 -2.438 4.149 2.413 1.00 0.00 C ATOM 0 H ILE A 49 1.250 2.977 2.544 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.300 1.570 2.084 1.00 0.00 H new ATOM 0 HB ILE A 49 0.119 3.463 0.180 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.371 4.657 2.276 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.345 5.242 0.942 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.120 3.631 -0.835 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.529 1.952 -0.817 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.747 2.479 0.368 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.680 5.046 2.983 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.264 3.911 1.743 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.275 3.317 3.098 1.00 0.00 H new ATOM 799 N VAL A 50 -0.402 0.041 0.229 1.00 0.00 N ATOM 800 CA VAL A 50 0.197 -1.006 -0.589 1.00 0.00 C ATOM 801 C VAL A 50 -0.639 -1.280 -1.832 1.00 0.00 C ATOM 802 O VAL A 50 -1.612 -2.031 -1.789 1.00 0.00 O ATOM 803 CB VAL A 50 0.369 -2.312 0.207 1.00 0.00 C ATOM 804 CG1 VAL A 50 0.943 -3.417 -0.672 1.00 0.00 C ATOM 805 CG2 VAL A 50 1.255 -2.070 1.415 1.00 0.00 C ATOM 0 H VAL A 50 -1.420 0.011 0.279 1.00 0.00 H new ATOM 0 HA VAL A 50 1.180 -0.647 -0.893 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.612 -2.639 0.551 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.054 -4.328 -0.085 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.269 -3.604 -1.508 1.00 0.00 H new ATOM 0 HG13 VAL A 50 1.917 -3.110 -1.053 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.372 -2.999 1.973 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.233 -1.720 1.085 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.798 -1.317 2.057 1.00 0.00 H new ATOM 815 N LEU A 51 -0.244 -0.665 -2.936 1.00 0.00 N ATOM 816 CA LEU A 51 -0.950 -0.841 -4.200 1.00 0.00 C ATOM 817 C LEU A 51 -0.461 -2.091 -4.924 1.00 0.00 C ATOM 818 O LEU A 51 0.326 -2.012 -5.865 1.00 0.00 O ATOM 819 CB LEU A 51 -0.774 0.389 -5.096 1.00 0.00 C ATOM 820 CG LEU A 51 -1.312 0.236 -6.522 1.00 0.00 C ATOM 821 CD1 LEU A 51 -2.762 -0.222 -6.499 1.00 0.00 C ATOM 822 CD2 LEU A 51 -1.174 1.543 -7.288 1.00 0.00 C ATOM 0 H LEU A 51 0.560 -0.040 -2.985 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.010 -0.961 -3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.272 1.237 -4.625 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.287 0.632 -5.149 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.721 -0.524 -7.033 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.127 -0.325 -7.521 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.832 -1.183 -5.990 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.368 0.514 -5.970 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.561 1.415 -8.299 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.739 2.324 -6.779 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.123 1.828 -7.336 1.00 0.00 H new ATOM 834 N ASP A 52 -0.939 -3.245 -4.473 1.00 0.00 N ATOM 835 CA ASP A 52 -0.559 -4.518 -5.075 1.00 0.00 C ATOM 836 C ASP A 52 -1.230 -4.696 -6.432 1.00 0.00 C ATOM 837 O ASP A 52 -2.274 -5.341 -6.540 1.00 0.00 O ATOM 838 CB ASP A 52 -0.936 -5.675 -4.149 1.00 0.00 C ATOM 839 CG ASP A 52 -0.009 -6.865 -4.303 1.00 0.00 C ATOM 840 OD1 ASP A 52 0.167 -7.335 -5.447 1.00 0.00 O ATOM 841 OD2 ASP A 52 0.542 -7.325 -3.281 1.00 0.00 O ATOM 0 H ASP A 52 -1.591 -3.326 -3.692 1.00 0.00 H new ATOM 0 HA ASP A 52 0.521 -4.517 -5.221 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -0.913 -5.331 -3.115 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.959 -5.986 -4.359 1.00 0.00 H new ATOM 846 N VAL A 53 -0.627 -4.121 -7.467 1.00 0.00 N ATOM 847 CA VAL A 53 -1.167 -4.216 -8.818 1.00 0.00 C ATOM 848 C VAL A 53 -1.185 -5.669 -9.297 1.00 0.00 C ATOM 849 O VAL A 53 -0.138 -6.263 -9.556 1.00 0.00 O ATOM 850 CB VAL A 53 -0.363 -3.338 -9.810 1.00 0.00 C ATOM 851 CG1 VAL A 53 -0.110 -1.961 -9.220 1.00 0.00 C ATOM 852 CG2 VAL A 53 0.954 -3.996 -10.193 1.00 0.00 C ATOM 0 H VAL A 53 0.237 -3.584 -7.396 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.191 -3.845 -8.787 1.00 0.00 H new ATOM 0 HB VAL A 53 -0.961 -3.230 -10.715 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.456 -1.359 -9.931 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.063 -1.475 -9.010 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.459 -2.060 -8.295 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.493 -3.354 -10.890 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.558 -4.148 -9.299 1.00 0.00 H new ATOM 0 HG23 VAL A 53 0.756 -4.958 -10.665 1.00 0.00 H new ATOM 862 N TRP A 54 -2.379 -6.240 -9.408 1.00 0.00 N ATOM 863 CA TRP A 54 -2.523 -7.621 -9.853 1.00 0.00 C ATOM 864 C TRP A 54 -3.101 -7.675 -11.267 1.00 0.00 C ATOM 865 O TRP A 54 -2.360 -7.765 -12.245 1.00 0.00 O ATOM 866 CB TRP A 54 -3.410 -8.406 -8.881 1.00 0.00 C ATOM 867 CG TRP A 54 -3.600 -9.839 -9.275 1.00 0.00 C ATOM 868 CD1 TRP A 54 -4.784 -10.500 -9.428 1.00 0.00 C ATOM 869 CD2 TRP A 54 -2.570 -10.787 -9.571 1.00 0.00 C ATOM 870 NE1 TRP A 54 -4.553 -11.803 -9.797 1.00 0.00 N ATOM 871 CE2 TRP A 54 -3.201 -12.003 -9.892 1.00 0.00 C ATOM 872 CE3 TRP A 54 -1.174 -10.724 -9.596 1.00 0.00 C ATOM 873 CZ2 TRP A 54 -2.482 -13.147 -10.234 1.00 0.00 C ATOM 874 CZ3 TRP A 54 -0.463 -11.860 -9.934 1.00 0.00 C ATOM 875 CH2 TRP A 54 -1.117 -13.057 -10.249 1.00 0.00 C ATOM 0 H TRP A 54 -3.259 -5.770 -9.197 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.535 -8.081 -9.870 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -2.969 -8.366 -7.885 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.385 -7.922 -8.818 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.760 -10.063 -9.280 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.271 -12.506 -9.972 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.660 -9.805 -9.356 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -2.984 -14.071 -10.478 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.616 -11.824 -9.955 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.532 -13.927 -10.509 1.00 0.00 H new ATOM 886 N MET A 55 -4.423 -7.610 -11.366 1.00 0.00 N ATOM 887 CA MET A 55 -5.098 -7.639 -12.657 1.00 0.00 C ATOM 888 C MET A 55 -4.912 -6.321 -13.412 1.00 0.00 C ATOM 889 O MET A 55 -4.653 -6.324 -14.616 1.00 0.00 O ATOM 890 CB MET A 55 -6.590 -7.929 -12.467 1.00 0.00 C ATOM 891 CG MET A 55 -7.096 -9.092 -13.305 1.00 0.00 C ATOM 892 SD MET A 55 -8.203 -8.568 -14.630 1.00 0.00 S ATOM 893 CE MET A 55 -8.897 -10.141 -15.131 1.00 0.00 C ATOM 0 H MET A 55 -5.050 -7.537 -10.565 1.00 0.00 H new ATOM 0 HA MET A 55 -4.650 -8.435 -13.252 1.00 0.00 H new ATOM 0 HB2 MET A 55 -6.779 -8.141 -11.415 1.00 0.00 H new ATOM 0 HB3 MET A 55 -7.160 -7.035 -12.719 1.00 0.00 H new ATOM 0 HG2 MET A 55 -6.246 -9.621 -13.736 1.00 0.00 H new ATOM 0 HG3 MET A 55 -7.618 -9.799 -12.660 1.00 0.00 H new ATOM 0 HE1 MET A 55 -9.604 -9.984 -15.946 1.00 0.00 H new ATOM 0 HE2 MET A 55 -8.097 -10.801 -15.466 1.00 0.00 H new ATOM 0 HE3 MET A 55 -9.413 -10.597 -14.286 1.00 0.00 H new ATOM 903 N PRO A 56 -5.043 -5.169 -12.721 1.00 0.00 N ATOM 904 CA PRO A 56 -4.890 -3.854 -13.352 1.00 0.00 C ATOM 905 C PRO A 56 -3.429 -3.503 -13.614 1.00 0.00 C ATOM 906 O PRO A 56 -2.548 -4.357 -13.515 1.00 0.00 O ATOM 907 CB PRO A 56 -5.492 -2.903 -12.319 1.00 0.00 C ATOM 908 CG PRO A 56 -5.243 -3.573 -11.014 1.00 0.00 C ATOM 909 CD PRO A 56 -5.357 -5.050 -11.281 1.00 0.00 C ATOM 0 HA PRO A 56 -5.370 -3.808 -14.329 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.020 -1.922 -12.359 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.558 -2.751 -12.491 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -4.255 -3.321 -10.628 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -5.969 -3.254 -10.266 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -4.659 -5.623 -10.670 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -6.357 -5.422 -11.057 1.00 0.00 H new ATOM 917 N ASP A 57 -3.181 -2.242 -13.949 1.00 0.00 N ATOM 918 CA ASP A 57 -1.826 -1.777 -14.225 1.00 0.00 C ATOM 919 C ASP A 57 -1.268 -0.986 -13.046 1.00 0.00 C ATOM 920 O ASP A 57 -0.067 -1.020 -12.778 1.00 0.00 O ATOM 921 CB ASP A 57 -1.808 -0.912 -15.488 1.00 0.00 C ATOM 922 CG ASP A 57 -2.420 -1.619 -16.681 1.00 0.00 C ATOM 923 OD1 ASP A 57 -2.043 -2.783 -16.939 1.00 0.00 O ATOM 924 OD2 ASP A 57 -3.273 -1.011 -17.359 1.00 0.00 O ATOM 0 H ASP A 57 -3.900 -1.523 -14.036 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.195 -2.652 -14.382 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.352 0.013 -15.299 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -0.780 -0.635 -15.721 1.00 0.00 H new ATOM 929 N GLY A 58 -2.146 -0.275 -12.345 1.00 0.00 N ATOM 930 CA GLY A 58 -1.717 0.513 -11.205 1.00 0.00 C ATOM 931 C GLY A 58 -0.696 1.567 -11.583 1.00 0.00 C ATOM 932 O GLY A 58 0.357 1.676 -10.956 1.00 0.00 O ATOM 0 H GLY A 58 -3.145 -0.231 -12.546 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -2.584 0.996 -10.754 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.291 -0.147 -10.450 1.00 0.00 H new ATOM 936 N ASP A 59 -1.010 2.346 -12.614 1.00 0.00 N ATOM 937 CA ASP A 59 -0.115 3.398 -13.079 1.00 0.00 C ATOM 938 C ASP A 59 -0.510 4.749 -12.492 1.00 0.00 C ATOM 939 O ASP A 59 -0.336 5.788 -13.128 1.00 0.00 O ATOM 940 CB ASP A 59 -0.130 3.469 -14.607 1.00 0.00 C ATOM 941 CG ASP A 59 1.163 4.022 -15.173 1.00 0.00 C ATOM 942 OD1 ASP A 59 2.185 3.997 -14.455 1.00 0.00 O ATOM 943 OD2 ASP A 59 1.154 4.481 -16.335 1.00 0.00 O ATOM 0 H ASP A 59 -1.879 2.268 -13.143 1.00 0.00 H new ATOM 0 HA ASP A 59 0.893 3.158 -12.742 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.304 2.472 -15.013 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -0.962 4.094 -14.931 1.00 0.00 H new ATOM 948 N GLY A 60 -1.039 4.727 -11.273 1.00 0.00 N ATOM 949 CA GLY A 60 -1.449 5.956 -10.621 1.00 0.00 C ATOM 950 C GLY A 60 -0.267 6.776 -10.141 1.00 0.00 C ATOM 951 O GLY A 60 -0.097 6.990 -8.942 1.00 0.00 O ATOM 0 H GLY A 60 -1.191 3.880 -10.725 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.044 6.551 -11.314 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.091 5.718 -9.773 1.00 0.00 H new ATOM 955 N VAL A 61 0.554 7.235 -11.082 1.00 0.00 N ATOM 956 CA VAL A 61 1.725 8.034 -10.755 1.00 0.00 C ATOM 957 C VAL A 61 1.360 9.206 -9.851 1.00 0.00 C ATOM 958 O VAL A 61 2.050 9.489 -8.871 1.00 0.00 O ATOM 959 CB VAL A 61 2.396 8.570 -12.032 1.00 0.00 C ATOM 960 CG1 VAL A 61 3.716 9.232 -11.696 1.00 0.00 C ATOM 961 CG2 VAL A 61 2.596 7.451 -13.043 1.00 0.00 C ATOM 0 H VAL A 61 0.427 7.065 -12.080 1.00 0.00 H new ATOM 0 HA VAL A 61 2.422 7.384 -10.226 1.00 0.00 H new ATOM 0 HB VAL A 61 1.741 9.317 -12.479 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.178 9.606 -12.609 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.543 10.062 -11.011 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.378 8.505 -11.225 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.072 7.851 -13.939 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.230 6.678 -12.609 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.629 7.022 -13.306 1.00 0.00 H new ATOM 971 N ASN A 62 0.271 9.885 -10.189 1.00 0.00 N ATOM 972 CA ASN A 62 -0.198 11.019 -9.431 1.00 0.00 C ATOM 973 C ASN A 62 -0.772 10.589 -8.080 1.00 0.00 C ATOM 974 O ASN A 62 -0.809 11.378 -7.136 1.00 0.00 O ATOM 975 CB ASN A 62 -1.259 11.737 -10.249 1.00 0.00 C ATOM 976 CG ASN A 62 -2.384 10.816 -10.678 1.00 0.00 C ATOM 977 OD1 ASN A 62 -2.170 9.865 -11.428 1.00 0.00 O ATOM 978 ND2 ASN A 62 -3.592 11.096 -10.201 1.00 0.00 N ATOM 0 H ASN A 62 -0.307 9.658 -10.999 1.00 0.00 H new ATOM 0 HA ASN A 62 0.640 11.686 -9.229 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.670 12.559 -9.663 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -0.796 12.176 -11.133 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.388 10.511 -10.454 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.723 11.896 -9.581 1.00 0.00 H new ATOM 985 N PHE A 63 -1.224 9.340 -7.997 1.00 0.00 N ATOM 986 CA PHE A 63 -1.802 8.819 -6.760 1.00 0.00 C ATOM 987 C PHE A 63 -0.827 8.952 -5.594 1.00 0.00 C ATOM 988 O PHE A 63 -1.202 9.394 -4.508 1.00 0.00 O ATOM 989 CB PHE A 63 -2.210 7.354 -6.924 1.00 0.00 C ATOM 990 CG PHE A 63 -2.901 6.797 -5.713 1.00 0.00 C ATOM 991 CD1 PHE A 63 -4.131 7.295 -5.315 1.00 0.00 C ATOM 992 CD2 PHE A 63 -2.317 5.786 -4.964 1.00 0.00 C ATOM 993 CE1 PHE A 63 -4.766 6.797 -4.195 1.00 0.00 C ATOM 994 CE2 PHE A 63 -2.950 5.285 -3.842 1.00 0.00 C ATOM 995 CZ PHE A 63 -4.176 5.792 -3.457 1.00 0.00 C ATOM 0 H PHE A 63 -1.202 8.672 -8.768 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.689 9.413 -6.541 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -2.870 7.261 -7.787 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.323 6.757 -7.136 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.599 8.082 -5.888 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.358 5.386 -5.260 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.725 7.194 -3.897 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.486 4.497 -3.267 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.672 5.402 -2.580 1.00 0.00 H new ATOM 1005 N ILE A 64 0.424 8.562 -5.822 1.00 0.00 N ATOM 1006 CA ILE A 64 1.452 8.636 -4.786 1.00 0.00 C ATOM 1007 C ILE A 64 1.431 9.994 -4.086 1.00 0.00 C ATOM 1008 O ILE A 64 1.783 10.102 -2.912 1.00 0.00 O ATOM 1009 CB ILE A 64 2.858 8.380 -5.370 1.00 0.00 C ATOM 1010 CG1 ILE A 64 2.930 6.978 -5.980 1.00 0.00 C ATOM 1011 CG2 ILE A 64 3.926 8.550 -4.296 1.00 0.00 C ATOM 1012 CD1 ILE A 64 2.924 6.974 -7.493 1.00 0.00 C ATOM 0 H ILE A 64 0.751 8.192 -6.714 1.00 0.00 H new ATOM 0 HA ILE A 64 1.228 7.857 -4.057 1.00 0.00 H new ATOM 0 HB ILE A 64 3.045 9.113 -6.155 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.835 6.484 -5.627 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.085 6.391 -5.620 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.909 8.365 -4.728 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.888 9.566 -3.902 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.746 7.841 -3.488 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.977 5.947 -7.854 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.007 7.439 -7.854 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.784 7.533 -7.862 1.00 0.00 H new ATOM 1024 N ASP A 65 1.008 11.024 -4.812 1.00 0.00 N ATOM 1025 CA ASP A 65 0.934 12.367 -4.253 1.00 0.00 C ATOM 1026 C ASP A 65 -0.277 12.497 -3.337 1.00 0.00 C ATOM 1027 O ASP A 65 -0.213 13.154 -2.298 1.00 0.00 O ATOM 1028 CB ASP A 65 0.867 13.409 -5.372 1.00 0.00 C ATOM 1029 CG ASP A 65 2.106 14.281 -5.424 1.00 0.00 C ATOM 1030 OD1 ASP A 65 3.189 13.756 -5.759 1.00 0.00 O ATOM 1031 OD2 ASP A 65 1.994 15.489 -5.128 1.00 0.00 O ATOM 0 H ASP A 65 0.712 10.954 -5.786 1.00 0.00 H new ATOM 0 HA ASP A 65 1.835 12.545 -3.665 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.742 12.903 -6.329 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.011 14.038 -5.227 1.00 0.00 H new ATOM 1036 N PHE A 66 -1.378 11.857 -3.722 1.00 0.00 N ATOM 1037 CA PHE A 66 -2.596 11.894 -2.922 1.00 0.00 C ATOM 1038 C PHE A 66 -2.311 11.393 -1.510 1.00 0.00 C ATOM 1039 O PHE A 66 -2.703 12.020 -0.525 1.00 0.00 O ATOM 1040 CB PHE A 66 -3.694 11.045 -3.581 1.00 0.00 C ATOM 1041 CG PHE A 66 -4.702 10.490 -2.609 1.00 0.00 C ATOM 1042 CD1 PHE A 66 -5.690 11.301 -2.076 1.00 0.00 C ATOM 1043 CD2 PHE A 66 -4.652 9.160 -2.226 1.00 0.00 C ATOM 1044 CE1 PHE A 66 -6.611 10.796 -1.179 1.00 0.00 C ATOM 1045 CE2 PHE A 66 -5.570 8.648 -1.330 1.00 0.00 C ATOM 1046 CZ PHE A 66 -6.552 9.467 -0.805 1.00 0.00 C ATOM 0 H PHE A 66 -1.451 11.309 -4.579 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.946 12.925 -2.863 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.214 11.653 -4.321 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.228 10.219 -4.117 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -5.741 12.340 -2.365 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.886 8.516 -2.633 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -7.376 11.439 -0.770 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.521 7.609 -1.040 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.271 9.069 -0.104 1.00 0.00 H new ATOM 1056 N ILE A 67 -1.616 10.264 -1.423 1.00 0.00 N ATOM 1057 CA ILE A 67 -1.267 9.679 -0.136 1.00 0.00 C ATOM 1058 C ILE A 67 -0.512 10.689 0.726 1.00 0.00 C ATOM 1059 O ILE A 67 -0.778 10.822 1.920 1.00 0.00 O ATOM 1060 CB ILE A 67 -0.414 8.402 -0.314 1.00 0.00 C ATOM 1061 CG1 ILE A 67 -1.250 7.293 -0.959 1.00 0.00 C ATOM 1062 CG2 ILE A 67 0.146 7.932 1.023 1.00 0.00 C ATOM 1063 CD1 ILE A 67 -1.226 7.310 -2.472 1.00 0.00 C ATOM 0 H ILE A 67 -1.283 9.736 -2.230 1.00 0.00 H new ATOM 0 HA ILE A 67 -2.196 9.406 0.365 1.00 0.00 H new ATOM 0 HB ILE A 67 0.424 8.639 -0.970 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -0.885 6.327 -0.610 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -2.282 7.385 -0.620 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.742 7.032 0.872 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.772 8.715 1.451 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.676 7.712 1.705 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.841 6.495 -2.855 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.619 8.261 -2.831 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -0.201 7.186 -2.821 1.00 0.00 H new ATOM 1075 N LYS A 68 0.419 11.411 0.111 1.00 0.00 N ATOM 1076 CA LYS A 68 1.193 12.415 0.830 1.00 0.00 C ATOM 1077 C LYS A 68 0.378 13.693 1.015 1.00 0.00 C ATOM 1078 O LYS A 68 0.640 14.482 1.922 1.00 0.00 O ATOM 1079 CB LYS A 68 2.490 12.728 0.081 1.00 0.00 C ATOM 1080 CG LYS A 68 3.303 11.492 -0.273 1.00 0.00 C ATOM 1081 CD LYS A 68 4.782 11.695 0.012 1.00 0.00 C ATOM 1082 CE LYS A 68 5.356 12.839 -0.810 1.00 0.00 C ATOM 1083 NZ LYS A 68 6.303 13.672 -0.017 1.00 0.00 N ATOM 0 H LYS A 68 0.654 11.320 -0.877 1.00 0.00 H new ATOM 0 HA LYS A 68 1.441 12.013 1.812 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.250 13.269 -0.834 1.00 0.00 H new ATOM 0 HB3 LYS A 68 3.101 13.392 0.692 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.936 10.639 0.297 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.164 11.254 -1.328 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.924 11.901 1.073 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.326 10.777 -0.210 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.870 12.437 -1.683 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.543 13.465 -1.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.672 14.440 -0.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 5.807 14.077 0.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 7.092 13.081 0.314 1.00 0.00 H new ATOM 1097 N GLU A 69 -0.614 13.887 0.150 1.00 0.00 N ATOM 1098 CA GLU A 69 -1.470 15.065 0.216 1.00 0.00 C ATOM 1099 C GLU A 69 -2.338 15.040 1.470 1.00 0.00 C ATOM 1100 O GLU A 69 -2.521 16.061 2.131 1.00 0.00 O ATOM 1101 CB GLU A 69 -2.355 15.144 -1.026 1.00 0.00 C ATOM 1102 CG GLU A 69 -2.984 16.512 -1.240 1.00 0.00 C ATOM 1103 CD GLU A 69 -3.318 16.778 -2.694 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -4.280 16.166 -3.204 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -2.618 17.598 -3.324 1.00 0.00 O ATOM 0 H GLU A 69 -0.844 13.242 -0.606 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.830 15.946 0.258 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.761 14.886 -1.902 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.146 14.398 -0.946 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.892 16.588 -0.642 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.301 17.282 -0.881 1.00 0.00 H new ATOM 1112 N ASN A 70 -2.870 13.864 1.791 1.00 0.00 N ATOM 1113 CA ASN A 70 -3.721 13.704 2.966 1.00 0.00 C ATOM 1114 C ASN A 70 -3.104 12.729 3.968 1.00 0.00 C ATOM 1115 O ASN A 70 -3.769 12.289 4.906 1.00 0.00 O ATOM 1116 CB ASN A 70 -5.112 13.215 2.552 1.00 0.00 C ATOM 1117 CG ASN A 70 -5.590 13.852 1.262 1.00 0.00 C ATOM 1118 OD1 ASN A 70 -5.003 13.434 0.146 1.00 0.00 O flip ATOM 1119 ND2 ASN A 70 -6.474 14.707 1.268 1.00 0.00 N flip ATOM 0 H ASN A 70 -2.727 13.008 1.254 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.811 14.678 3.448 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.093 12.132 2.433 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -5.823 13.436 3.348 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -6.897 14.997 2.150 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.785 15.126 0.391 1.00 0.00 H new ATOM 1126 N SER A 71 -1.831 12.398 3.769 1.00 0.00 N ATOM 1127 CA SER A 71 -1.133 11.480 4.661 1.00 0.00 C ATOM 1128 C SER A 71 0.380 11.612 4.494 1.00 0.00 C ATOM 1129 O SER A 71 1.047 10.690 4.023 1.00 0.00 O ATOM 1130 CB SER A 71 -1.572 10.039 4.390 1.00 0.00 C ATOM 1131 OG SER A 71 -2.393 9.551 5.438 1.00 0.00 O ATOM 0 H SER A 71 -1.263 12.752 2.999 1.00 0.00 H new ATOM 0 HA SER A 71 -1.390 11.738 5.688 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.115 9.992 3.446 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.694 9.402 4.284 1.00 0.00 H new ATOM 0 HG SER A 71 -2.409 10.202 6.171 1.00 0.00 H new ATOM 1137 N PRO A 72 0.944 12.769 4.881 1.00 0.00 N ATOM 1138 CA PRO A 72 2.384 13.020 4.774 1.00 0.00 C ATOM 1139 C PRO A 72 3.186 12.160 5.738 1.00 0.00 C ATOM 1140 O PRO A 72 4.386 11.953 5.559 1.00 0.00 O ATOM 1141 CB PRO A 72 2.532 14.507 5.131 1.00 0.00 C ATOM 1142 CG PRO A 72 1.146 15.063 5.127 1.00 0.00 C ATOM 1143 CD PRO A 72 0.233 13.918 5.452 1.00 0.00 C ATOM 0 HA PRO A 72 2.763 12.776 3.782 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.001 14.631 6.107 1.00 0.00 H new ATOM 0 HB3 PRO A 72 3.163 15.023 4.407 1.00 0.00 H new ATOM 0 HG2 PRO A 72 1.045 15.862 5.862 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.902 15.492 4.155 1.00 0.00 H new ATOM 0 HD2 PRO A 72 0.085 13.810 6.527 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -0.753 14.047 5.006 1.00 0.00 H new ATOM 1151 N ASP A 73 2.506 11.662 6.755 1.00 0.00 N ATOM 1152 CA ASP A 73 3.136 10.815 7.761 1.00 0.00 C ATOM 1153 C ASP A 73 2.865 9.336 7.485 1.00 0.00 C ATOM 1154 O ASP A 73 3.019 8.493 8.369 1.00 0.00 O ATOM 1155 CB ASP A 73 2.637 11.188 9.153 1.00 0.00 C ATOM 1156 CG ASP A 73 3.769 11.347 10.150 1.00 0.00 C ATOM 1157 OD1 ASP A 73 4.325 12.462 10.243 1.00 0.00 O ATOM 1158 OD2 ASP A 73 4.099 10.358 10.836 1.00 0.00 O ATOM 0 H ASP A 73 1.512 11.829 6.909 1.00 0.00 H new ATOM 0 HA ASP A 73 4.213 10.978 7.712 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.073 12.119 9.096 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.950 10.420 9.507 1.00 0.00 H new ATOM 1163 N SER A 74 2.466 9.028 6.254 1.00 0.00 N ATOM 1164 CA SER A 74 2.181 7.653 5.864 1.00 0.00 C ATOM 1165 C SER A 74 3.368 7.056 5.112 1.00 0.00 C ATOM 1166 O SER A 74 4.481 7.574 5.190 1.00 0.00 O ATOM 1167 CB SER A 74 0.921 7.602 4.995 1.00 0.00 C ATOM 1168 OG SER A 74 0.591 6.269 4.648 1.00 0.00 O ATOM 0 H SER A 74 2.333 9.713 5.510 1.00 0.00 H new ATOM 0 HA SER A 74 2.010 7.063 6.764 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.088 8.058 5.530 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.077 8.188 4.089 1.00 0.00 H new ATOM 0 HG SER A 74 -0.348 6.096 4.869 1.00 0.00 H new ATOM 1174 N VAL A 75 3.130 5.971 4.378 1.00 0.00 N ATOM 1175 CA VAL A 75 4.196 5.334 3.618 1.00 0.00 C ATOM 1176 C VAL A 75 3.682 4.624 2.376 1.00 0.00 C ATOM 1177 O VAL A 75 2.673 3.925 2.412 1.00 0.00 O ATOM 1178 CB VAL A 75 4.984 4.319 4.453 1.00 0.00 C ATOM 1179 CG1 VAL A 75 6.197 3.852 3.661 1.00 0.00 C ATOM 1180 CG2 VAL A 75 5.395 4.924 5.785 1.00 0.00 C ATOM 0 H VAL A 75 2.218 5.521 4.295 1.00 0.00 H new ATOM 0 HA VAL A 75 4.853 6.152 3.323 1.00 0.00 H new ATOM 0 HB VAL A 75 4.352 3.458 4.669 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.761 3.130 4.251 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.868 3.384 2.733 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.832 4.707 3.431 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.953 4.187 6.363 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.022 5.798 5.610 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.505 5.221 6.340 1.00 0.00 H new ATOM 1190 N VAL A 76 4.390 4.827 1.277 1.00 0.00 N ATOM 1191 CA VAL A 76 4.020 4.223 0.003 1.00 0.00 C ATOM 1192 C VAL A 76 4.904 3.028 -0.328 1.00 0.00 C ATOM 1193 O VAL A 76 5.950 3.172 -0.960 1.00 0.00 O ATOM 1194 CB VAL A 76 4.106 5.239 -1.151 1.00 0.00 C ATOM 1195 CG1 VAL A 76 3.401 4.705 -2.388 1.00 0.00 C ATOM 1196 CG2 VAL A 76 3.521 6.581 -0.733 1.00 0.00 C ATOM 0 H VAL A 76 5.228 5.408 1.240 1.00 0.00 H new ATOM 0 HA VAL A 76 2.988 3.888 0.110 1.00 0.00 H new ATOM 0 HB VAL A 76 5.157 5.390 -1.396 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.473 5.437 -3.192 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.872 3.774 -2.702 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.352 4.521 -2.158 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.592 7.283 -1.563 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.475 6.451 -0.456 1.00 0.00 H new ATOM 0 HG23 VAL A 76 4.077 6.970 0.120 1.00 0.00 H new ATOM 1206 N ILE A 77 4.470 1.844 0.092 1.00 0.00 N ATOM 1207 CA ILE A 77 5.214 0.621 -0.173 1.00 0.00 C ATOM 1208 C ILE A 77 4.588 -0.134 -1.339 1.00 0.00 C ATOM 1209 O ILE A 77 4.535 -1.364 -1.346 1.00 0.00 O ATOM 1210 CB ILE A 77 5.261 -0.296 1.063 1.00 0.00 C ATOM 1211 CG1 ILE A 77 5.707 0.493 2.297 1.00 0.00 C ATOM 1212 CG2 ILE A 77 6.195 -1.472 0.813 1.00 0.00 C ATOM 1213 CD1 ILE A 77 7.135 0.989 2.215 1.00 0.00 C ATOM 0 H ILE A 77 3.606 1.707 0.617 1.00 0.00 H new ATOM 0 HA ILE A 77 6.235 0.908 -0.424 1.00 0.00 H new ATOM 0 HB ILE A 77 4.259 -0.684 1.247 1.00 0.00 H new ATOM 0 HG12 ILE A 77 5.042 1.346 2.433 1.00 0.00 H new ATOM 0 HG13 ILE A 77 5.600 -0.138 3.180 1.00 0.00 H new ATOM 0 HG21 ILE A 77 6.218 -2.112 1.695 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.837 -2.046 -0.042 1.00 0.00 H new ATOM 0 HG23 ILE A 77 7.199 -1.102 0.607 1.00 0.00 H new ATOM 0 HD11 ILE A 77 7.382 1.539 3.123 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.810 0.139 2.111 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.243 1.646 1.352 1.00 0.00 H new ATOM 1225 N VAL A 78 4.110 0.623 -2.323 1.00 0.00 N ATOM 1226 CA VAL A 78 3.476 0.055 -3.508 1.00 0.00 C ATOM 1227 C VAL A 78 4.257 -1.140 -4.051 1.00 0.00 C ATOM 1228 O VAL A 78 5.328 -0.982 -4.638 1.00 0.00 O ATOM 1229 CB VAL A 78 3.333 1.123 -4.616 1.00 0.00 C ATOM 1230 CG1 VAL A 78 2.873 0.493 -5.925 1.00 0.00 C ATOM 1231 CG2 VAL A 78 2.371 2.219 -4.178 1.00 0.00 C ATOM 0 H VAL A 78 4.151 1.642 -2.321 1.00 0.00 H new ATOM 0 HA VAL A 78 2.487 -0.290 -3.206 1.00 0.00 H new ATOM 0 HB VAL A 78 4.312 1.571 -4.785 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.780 1.266 -6.688 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.603 -0.250 -6.248 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.906 0.011 -5.777 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.282 2.963 -4.970 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.392 1.785 -3.976 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.750 2.695 -3.274 1.00 0.00 H new ATOM 1241 N ILE A 79 3.704 -2.333 -3.860 1.00 0.00 N ATOM 1242 CA ILE A 79 4.333 -3.557 -4.339 1.00 0.00 C ATOM 1243 C ILE A 79 3.663 -4.031 -5.623 1.00 0.00 C ATOM 1244 O ILE A 79 2.467 -3.823 -5.815 1.00 0.00 O ATOM 1245 CB ILE A 79 4.261 -4.688 -3.293 1.00 0.00 C ATOM 1246 CG1 ILE A 79 4.453 -4.128 -1.882 1.00 0.00 C ATOM 1247 CG2 ILE A 79 5.306 -5.753 -3.594 1.00 0.00 C ATOM 1248 CD1 ILE A 79 4.373 -5.181 -0.798 1.00 0.00 C ATOM 0 H ILE A 79 2.818 -2.478 -3.375 1.00 0.00 H new ATOM 0 HA ILE A 79 5.381 -3.324 -4.527 1.00 0.00 H new ATOM 0 HB ILE A 79 3.274 -5.147 -3.346 1.00 0.00 H new ATOM 0 HG12 ILE A 79 5.422 -3.633 -1.825 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.695 -3.368 -1.695 1.00 0.00 H new ATOM 0 HG21 ILE A 79 5.244 -6.545 -2.848 1.00 0.00 H new ATOM 0 HG22 ILE A 79 5.124 -6.172 -4.584 1.00 0.00 H new ATOM 0 HG23 ILE A 79 6.300 -5.306 -3.566 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.518 -4.713 0.176 1.00 0.00 H new ATOM 0 HD12 ILE A 79 3.395 -5.660 -0.828 1.00 0.00 H new ATOM 0 HD13 ILE A 79 5.149 -5.929 -0.960 1.00 0.00 H new ATOM 1260 N THR A 80 4.434 -4.661 -6.502 1.00 0.00 N ATOM 1261 CA THR A 80 3.895 -5.152 -7.766 1.00 0.00 C ATOM 1262 C THR A 80 4.739 -6.295 -8.317 1.00 0.00 C ATOM 1263 O THR A 80 5.931 -6.397 -8.028 1.00 0.00 O ATOM 1264 CB THR A 80 3.823 -4.014 -8.788 1.00 0.00 C ATOM 1265 OG1 THR A 80 5.122 -3.622 -9.196 1.00 0.00 O ATOM 1266 CG2 THR A 80 3.114 -2.784 -8.264 1.00 0.00 C ATOM 0 H THR A 80 5.428 -4.843 -6.365 1.00 0.00 H new ATOM 0 HA THR A 80 2.890 -5.530 -7.579 1.00 0.00 H new ATOM 0 HB THR A 80 3.251 -4.414 -9.626 1.00 0.00 H new ATOM 0 HG1 THR A 80 5.412 -2.850 -8.667 1.00 0.00 H new ATOM 0 HG21 THR A 80 3.098 -2.016 -9.037 1.00 0.00 H new ATOM 0 HG22 THR A 80 2.092 -3.043 -7.988 1.00 0.00 H new ATOM 0 HG23 THR A 80 3.641 -2.406 -7.388 1.00 0.00 H new ATOM 1317 N VAL A 85 7.619 -3.331 -15.022 1.00 0.00 N ATOM 1318 CA VAL A 85 8.298 -2.788 -13.852 1.00 0.00 C ATOM 1319 C VAL A 85 8.699 -1.333 -14.075 1.00 0.00 C ATOM 1320 O VAL A 85 9.699 -0.864 -13.534 1.00 0.00 O ATOM 1321 CB VAL A 85 9.554 -3.606 -13.498 1.00 0.00 C ATOM 1322 CG1 VAL A 85 9.169 -5.003 -13.039 1.00 0.00 C ATOM 1323 CG2 VAL A 85 10.502 -3.669 -14.686 1.00 0.00 C ATOM 0 HA VAL A 85 7.592 -2.846 -13.023 1.00 0.00 H new ATOM 0 HB VAL A 85 10.070 -3.109 -12.677 1.00 0.00 H new ATOM 0 HG11 VAL A 85 10.069 -5.566 -12.793 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.532 -4.934 -12.157 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.629 -5.512 -13.837 1.00 0.00 H new ATOM 0 HG21 VAL A 85 11.384 -4.251 -14.417 1.00 0.00 H new ATOM 0 HG22 VAL A 85 9.998 -4.142 -15.529 1.00 0.00 H new ATOM 0 HG23 VAL A 85 10.804 -2.659 -14.964 1.00 0.00 H new ATOM 1333 N ASP A 86 7.909 -0.622 -14.874 1.00 0.00 N ATOM 1334 CA ASP A 86 8.182 0.780 -15.168 1.00 0.00 C ATOM 1335 C ASP A 86 7.411 1.694 -14.225 1.00 0.00 C ATOM 1336 O ASP A 86 7.956 2.681 -13.730 1.00 0.00 O ATOM 1337 CB ASP A 86 7.827 1.101 -16.620 1.00 0.00 C ATOM 1338 CG ASP A 86 8.159 2.533 -16.995 1.00 0.00 C ATOM 1339 OD1 ASP A 86 8.982 3.155 -16.291 1.00 0.00 O ATOM 1340 OD2 ASP A 86 7.595 3.032 -17.991 1.00 0.00 O ATOM 0 H ASP A 86 7.075 -0.994 -15.329 1.00 0.00 H new ATOM 0 HA ASP A 86 9.248 0.954 -15.020 1.00 0.00 H new ATOM 0 HB2 ASP A 86 8.365 0.421 -17.281 1.00 0.00 H new ATOM 0 HB3 ASP A 86 6.763 0.924 -16.778 1.00 0.00 H new ATOM 1345 N THR A 87 6.145 1.365 -13.957 1.00 0.00 N ATOM 1346 CA THR A 87 5.336 2.172 -13.050 1.00 0.00 C ATOM 1347 C THR A 87 6.060 2.340 -11.721 1.00 0.00 C ATOM 1348 O THR A 87 5.924 3.359 -11.047 1.00 0.00 O ATOM 1349 CB THR A 87 3.961 1.522 -12.831 1.00 0.00 C ATOM 1350 OG1 THR A 87 3.005 2.495 -12.452 1.00 0.00 O ATOM 1351 CG2 THR A 87 3.956 0.437 -11.768 1.00 0.00 C ATOM 0 H THR A 87 5.666 0.555 -14.351 1.00 0.00 H new ATOM 0 HA THR A 87 5.183 3.154 -13.497 1.00 0.00 H new ATOM 0 HB THR A 87 3.710 1.063 -13.787 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.023 3.238 -13.091 1.00 0.00 H new ATOM 0 HG21 THR A 87 2.951 0.027 -11.672 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.646 -0.357 -12.055 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.268 0.861 -10.814 1.00 0.00 H new ATOM 1359 N ALA A 88 6.843 1.328 -11.367 1.00 0.00 N ATOM 1360 CA ALA A 88 7.614 1.348 -10.137 1.00 0.00 C ATOM 1361 C ALA A 88 8.538 2.553 -10.113 1.00 0.00 C ATOM 1362 O ALA A 88 8.452 3.409 -9.234 1.00 0.00 O ATOM 1363 CB ALA A 88 8.427 0.069 -10.016 1.00 0.00 C ATOM 0 H ALA A 88 6.959 0.479 -11.921 1.00 0.00 H new ATOM 0 HA ALA A 88 6.927 1.417 -9.293 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.003 0.090 -9.091 1.00 0.00 H new ATOM 0 HB2 ALA A 88 7.755 -0.789 -10.005 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.106 -0.012 -10.865 1.00 0.00 H new ATOM 1369 N VAL A 89 9.422 2.606 -11.096 1.00 0.00 N ATOM 1370 CA VAL A 89 10.376 3.692 -11.215 1.00 0.00 C ATOM 1371 C VAL A 89 9.677 5.032 -11.438 1.00 0.00 C ATOM 1372 O VAL A 89 10.223 6.086 -11.116 1.00 0.00 O ATOM 1373 CB VAL A 89 11.357 3.426 -12.374 1.00 0.00 C ATOM 1374 CG1 VAL A 89 12.120 2.134 -12.134 1.00 0.00 C ATOM 1375 CG2 VAL A 89 10.616 3.370 -13.703 1.00 0.00 C ATOM 0 H VAL A 89 9.497 1.901 -11.829 1.00 0.00 H new ATOM 0 HA VAL A 89 10.927 3.743 -10.276 1.00 0.00 H new ATOM 0 HB VAL A 89 12.071 4.248 -12.417 1.00 0.00 H new ATOM 0 HG11 VAL A 89 12.809 1.959 -12.961 1.00 0.00 H new ATOM 0 HG12 VAL A 89 12.682 2.211 -11.203 1.00 0.00 H new ATOM 0 HG13 VAL A 89 11.417 1.304 -12.066 1.00 0.00 H new ATOM 0 HG21 VAL A 89 11.326 3.181 -14.508 1.00 0.00 H new ATOM 0 HG22 VAL A 89 9.878 2.568 -13.675 1.00 0.00 H new ATOM 0 HG23 VAL A 89 10.112 4.320 -13.879 1.00 0.00 H new ATOM 1385 N LYS A 90 8.470 4.983 -11.995 1.00 0.00 N ATOM 1386 CA LYS A 90 7.702 6.194 -12.263 1.00 0.00 C ATOM 1387 C LYS A 90 6.919 6.631 -11.030 1.00 0.00 C ATOM 1388 O LYS A 90 6.660 7.819 -10.834 1.00 0.00 O ATOM 1389 CB LYS A 90 6.739 5.963 -13.428 1.00 0.00 C ATOM 1390 CG LYS A 90 5.997 7.217 -13.862 1.00 0.00 C ATOM 1391 CD LYS A 90 5.263 7.003 -15.177 1.00 0.00 C ATOM 1392 CE LYS A 90 6.227 6.960 -16.352 1.00 0.00 C ATOM 1393 NZ LYS A 90 6.325 8.279 -17.040 1.00 0.00 N ATOM 0 H LYS A 90 8.004 4.118 -12.269 1.00 0.00 H new ATOM 0 HA LYS A 90 8.405 6.985 -12.526 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.297 5.569 -14.277 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.013 5.202 -13.143 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.285 7.505 -13.089 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.703 8.041 -13.968 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.699 6.071 -15.133 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.541 7.805 -15.327 1.00 0.00 H new ATOM 0 HE2 LYS A 90 7.214 6.660 -16.001 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.898 6.203 -17.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.992 8.207 -17.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.388 8.554 -17.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.663 8.997 -16.368 1.00 0.00 H new ATOM 1407 N ALA A 91 6.537 5.662 -10.206 1.00 0.00 N ATOM 1408 CA ALA A 91 5.774 5.941 -8.997 1.00 0.00 C ATOM 1409 C ALA A 91 6.689 6.224 -7.812 1.00 0.00 C ATOM 1410 O ALA A 91 6.403 7.094 -6.989 1.00 0.00 O ATOM 1411 CB ALA A 91 4.849 4.774 -8.683 1.00 0.00 C ATOM 0 H ALA A 91 6.744 4.674 -10.354 1.00 0.00 H new ATOM 0 HA ALA A 91 5.176 6.835 -9.175 1.00 0.00 H new ATOM 0 HB1 ALA A 91 4.283 4.992 -7.777 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.160 4.622 -9.514 1.00 0.00 H new ATOM 0 HB3 ALA A 91 5.441 3.871 -8.532 1.00 0.00 H new ATOM 1417 N ILE A 92 7.787 5.481 -7.723 1.00 0.00 N ATOM 1418 CA ILE A 92 8.736 5.654 -6.630 1.00 0.00 C ATOM 1419 C ILE A 92 9.528 6.953 -6.777 1.00 0.00 C ATOM 1420 O ILE A 92 10.214 7.378 -5.847 1.00 0.00 O ATOM 1421 CB ILE A 92 9.707 4.455 -6.523 1.00 0.00 C ATOM 1422 CG1 ILE A 92 10.775 4.511 -7.623 1.00 0.00 C ATOM 1423 CG2 ILE A 92 8.933 3.145 -6.601 1.00 0.00 C ATOM 1424 CD1 ILE A 92 11.699 3.310 -7.631 1.00 0.00 C ATOM 0 H ILE A 92 8.041 4.755 -8.393 1.00 0.00 H new ATOM 0 HA ILE A 92 8.151 5.706 -5.712 1.00 0.00 H new ATOM 0 HB ILE A 92 10.213 4.510 -5.559 1.00 0.00 H new ATOM 0 HG12 ILE A 92 10.283 4.587 -8.593 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.369 5.416 -7.495 1.00 0.00 H new ATOM 0 HG21 ILE A 92 9.627 2.308 -6.525 1.00 0.00 H new ATOM 0 HG22 ILE A 92 8.215 3.097 -5.782 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.403 3.092 -7.552 1.00 0.00 H new ATOM 0 HD11 ILE A 92 12.428 3.417 -8.434 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.219 3.245 -6.675 1.00 0.00 H new ATOM 0 HD13 ILE A 92 11.116 2.403 -7.789 1.00 0.00 H new ATOM 1436 N LYS A 93 9.424 7.584 -7.945 1.00 0.00 N ATOM 1437 CA LYS A 93 10.125 8.836 -8.200 1.00 0.00 C ATOM 1438 C LYS A 93 9.312 10.018 -7.683 1.00 0.00 C ATOM 1439 O LYS A 93 9.867 11.004 -7.199 1.00 0.00 O ATOM 1440 CB LYS A 93 10.396 9.000 -9.697 1.00 0.00 C ATOM 1441 CG LYS A 93 11.848 9.313 -10.021 1.00 0.00 C ATOM 1442 CD LYS A 93 12.047 9.552 -11.509 1.00 0.00 C ATOM 1443 CE LYS A 93 12.060 11.037 -11.837 1.00 0.00 C ATOM 1444 NZ LYS A 93 11.766 11.290 -13.274 1.00 0.00 N ATOM 0 H LYS A 93 8.862 7.248 -8.727 1.00 0.00 H new ATOM 0 HA LYS A 93 11.078 8.810 -7.671 1.00 0.00 H new ATOM 0 HB2 LYS A 93 10.106 8.084 -10.213 1.00 0.00 H new ATOM 0 HB3 LYS A 93 9.765 9.799 -10.087 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.164 10.195 -9.464 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.481 8.487 -9.696 1.00 0.00 H new ATOM 0 HD2 LYS A 93 12.985 9.099 -11.829 1.00 0.00 H new ATOM 0 HD3 LYS A 93 11.250 9.062 -12.067 1.00 0.00 H new ATOM 0 HE2 LYS A 93 11.324 11.552 -11.220 1.00 0.00 H new ATOM 0 HE3 LYS A 93 13.035 11.456 -11.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 11.784 12.314 -13.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 12.483 10.820 -13.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 10.825 10.913 -13.507 1.00 0.00 H new ATOM 1458 N LYS A 94 7.991 9.907 -7.787 1.00 0.00 N ATOM 1459 CA LYS A 94 7.097 10.963 -7.326 1.00 0.00 C ATOM 1460 C LYS A 94 7.285 11.215 -5.835 1.00 0.00 C ATOM 1461 O LYS A 94 7.665 12.312 -5.425 1.00 0.00 O ATOM 1462 CB LYS A 94 5.643 10.591 -7.614 1.00 0.00 C ATOM 1463 CG LYS A 94 5.320 10.496 -9.097 1.00 0.00 C ATOM 1464 CD LYS A 94 4.657 11.766 -9.606 1.00 0.00 C ATOM 1465 CE LYS A 94 5.262 12.221 -10.925 1.00 0.00 C ATOM 1466 NZ LYS A 94 5.102 13.687 -11.133 1.00 0.00 N ATOM 0 H LYS A 94 7.517 9.097 -8.186 1.00 0.00 H new ATOM 0 HA LYS A 94 7.342 11.877 -7.866 1.00 0.00 H new ATOM 0 HB2 LYS A 94 5.421 9.635 -7.141 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.989 11.333 -7.155 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.236 10.312 -9.659 1.00 0.00 H new ATOM 0 HG3 LYS A 94 4.662 9.645 -9.273 1.00 0.00 H new ATOM 0 HD2 LYS A 94 3.589 11.593 -9.735 1.00 0.00 H new ATOM 0 HD3 LYS A 94 4.765 12.557 -8.863 1.00 0.00 H new ATOM 0 HE2 LYS A 94 6.321 11.965 -10.946 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.788 11.684 -11.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 5.527 13.957 -12.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 4.090 13.928 -11.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 5.576 14.201 -10.363 1.00 0.00 H new ATOM 1480 N GLY A 95 7.020 10.194 -5.028 1.00 0.00 N ATOM 1481 CA GLY A 95 7.170 10.331 -3.591 1.00 0.00 C ATOM 1482 C GLY A 95 6.909 9.039 -2.839 1.00 0.00 C ATOM 1483 O GLY A 95 6.489 9.065 -1.683 1.00 0.00 O ATOM 0 H GLY A 95 6.705 9.276 -5.342 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.180 10.676 -3.368 1.00 0.00 H new ATOM 0 HA3 GLY A 95 6.484 11.098 -3.232 1.00 0.00 H new ATOM 1487 N ALA A 96 7.162 7.903 -3.486 1.00 0.00 N ATOM 1488 CA ALA A 96 6.950 6.609 -2.849 1.00 0.00 C ATOM 1489 C ALA A 96 8.210 6.143 -2.128 1.00 0.00 C ATOM 1490 O ALA A 96 9.249 6.802 -2.184 1.00 0.00 O ATOM 1491 CB ALA A 96 6.505 5.568 -3.868 1.00 0.00 C ATOM 0 H ALA A 96 7.511 7.854 -4.443 1.00 0.00 H new ATOM 0 HA ALA A 96 6.157 6.727 -2.110 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.353 4.611 -3.368 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.571 5.888 -4.331 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.271 5.459 -4.635 1.00 0.00 H new ATOM 1497 N TYR A 97 8.110 5.008 -1.447 1.00 0.00 N ATOM 1498 CA TYR A 97 9.242 4.457 -0.710 1.00 0.00 C ATOM 1499 C TYR A 97 9.906 3.325 -1.482 1.00 0.00 C ATOM 1500 O TYR A 97 10.476 2.409 -0.893 1.00 0.00 O ATOM 1501 CB TYR A 97 8.779 3.952 0.651 1.00 0.00 C ATOM 1502 CG TYR A 97 9.909 3.686 1.620 1.00 0.00 C ATOM 1503 CD1 TYR A 97 10.607 4.734 2.205 1.00 0.00 C ATOM 1504 CD2 TYR A 97 10.275 2.388 1.951 1.00 0.00 C ATOM 1505 CE1 TYR A 97 11.640 4.497 3.091 1.00 0.00 C ATOM 1506 CE2 TYR A 97 11.305 2.141 2.838 1.00 0.00 C ATOM 1507 CZ TYR A 97 11.985 3.198 3.405 1.00 0.00 C ATOM 1508 OH TYR A 97 13.012 2.958 4.288 1.00 0.00 O ATOM 0 H TYR A 97 7.257 4.451 -1.389 1.00 0.00 H new ATOM 0 HA TYR A 97 9.976 5.252 -0.574 1.00 0.00 H new ATOM 0 HB2 TYR A 97 8.102 4.685 1.089 1.00 0.00 H new ATOM 0 HB3 TYR A 97 8.208 3.034 0.512 1.00 0.00 H new ATOM 0 HD1 TYR A 97 10.338 5.752 1.963 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.746 1.558 1.508 1.00 0.00 H new ATOM 0 HE1 TYR A 97 12.175 5.323 3.535 1.00 0.00 H new ATOM 0 HE2 TYR A 97 11.576 1.125 3.086 1.00 0.00 H new ATOM 0 HH TYR A 97 13.127 1.991 4.402 1.00 0.00 H new ATOM 1518 N GLU A 98 9.824 3.403 -2.803 1.00 0.00 N ATOM 1519 CA GLU A 98 10.412 2.396 -3.683 1.00 0.00 C ATOM 1520 C GLU A 98 9.535 1.148 -3.749 1.00 0.00 C ATOM 1521 O GLU A 98 9.001 0.695 -2.736 1.00 0.00 O ATOM 1522 CB GLU A 98 11.844 2.043 -3.238 1.00 0.00 C ATOM 1523 CG GLU A 98 11.968 0.746 -2.447 1.00 0.00 C ATOM 1524 CD GLU A 98 13.119 0.775 -1.459 1.00 0.00 C ATOM 1525 OE1 GLU A 98 14.232 1.176 -1.857 1.00 0.00 O ATOM 1526 OE2 GLU A 98 12.906 0.394 -0.289 1.00 0.00 O ATOM 0 H GLU A 98 9.351 4.161 -3.295 1.00 0.00 H new ATOM 0 HA GLU A 98 10.468 2.819 -4.686 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.477 1.974 -4.122 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.232 2.861 -2.631 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.037 0.561 -1.910 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.108 -0.085 -3.138 1.00 0.00 H new ATOM 1533 N PHE A 99 9.392 0.603 -4.950 1.00 0.00 N ATOM 1534 CA PHE A 99 8.583 -0.589 -5.164 1.00 0.00 C ATOM 1535 C PHE A 99 9.203 -1.795 -4.464 1.00 0.00 C ATOM 1536 O PHE A 99 10.373 -2.110 -4.671 1.00 0.00 O ATOM 1537 CB PHE A 99 8.455 -0.864 -6.663 1.00 0.00 C ATOM 1538 CG PHE A 99 7.145 -0.425 -7.257 1.00 0.00 C ATOM 1539 CD1 PHE A 99 6.563 0.777 -6.884 1.00 0.00 C ATOM 1540 CD2 PHE A 99 6.500 -1.213 -8.197 1.00 0.00 C ATOM 1541 CE1 PHE A 99 5.362 1.183 -7.439 1.00 0.00 C ATOM 1542 CE2 PHE A 99 5.301 -0.812 -8.755 1.00 0.00 C ATOM 1543 CZ PHE A 99 4.731 0.387 -8.375 1.00 0.00 C ATOM 0 H PHE A 99 9.829 0.970 -5.795 1.00 0.00 H new ATOM 0 HA PHE A 99 7.593 -0.418 -4.742 1.00 0.00 H new ATOM 0 HB2 PHE A 99 9.267 -0.357 -7.185 1.00 0.00 H new ATOM 0 HB3 PHE A 99 8.581 -1.932 -6.838 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.052 1.403 -6.153 1.00 0.00 H new ATOM 0 HD2 PHE A 99 6.940 -2.152 -8.497 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.919 2.121 -7.141 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.810 -1.436 -9.488 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.793 0.702 -8.809 1.00 0.00 H new ATOM 1553 N LEU A 100 8.409 -2.465 -3.635 1.00 0.00 N ATOM 1554 CA LEU A 100 8.878 -3.635 -2.908 1.00 0.00 C ATOM 1555 C LEU A 100 9.101 -4.809 -3.858 1.00 0.00 C ATOM 1556 O LEU A 100 8.381 -5.806 -3.810 1.00 0.00 O ATOM 1557 CB LEU A 100 7.867 -4.021 -1.824 1.00 0.00 C ATOM 1558 CG LEU A 100 8.453 -4.758 -0.619 1.00 0.00 C ATOM 1559 CD1 LEU A 100 9.417 -5.840 -1.075 1.00 0.00 C ATOM 1560 CD2 LEU A 100 9.145 -3.781 0.318 1.00 0.00 C ATOM 0 H LEU A 100 7.437 -2.216 -3.451 1.00 0.00 H new ATOM 0 HA LEU A 100 9.829 -3.388 -2.437 1.00 0.00 H new ATOM 0 HB2 LEU A 100 7.374 -3.115 -1.471 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.098 -4.648 -2.274 1.00 0.00 H new ATOM 0 HG LEU A 100 7.638 -5.234 -0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 100 9.825 -6.354 -0.205 1.00 0.00 H new ATOM 0 HD12 LEU A 100 8.889 -6.556 -1.705 1.00 0.00 H new ATOM 0 HD13 LEU A 100 10.230 -5.387 -1.643 1.00 0.00 H new ATOM 0 HD21 LEU A 100 9.556 -4.323 1.170 1.00 0.00 H new ATOM 0 HD22 LEU A 100 9.951 -3.276 -0.214 1.00 0.00 H new ATOM 0 HD23 LEU A 100 8.425 -3.043 0.671 1.00 0.00 H new ATOM 1572 N GLU A 101 10.103 -4.682 -4.722 1.00 0.00 N ATOM 1573 CA GLU A 101 10.417 -5.731 -5.685 1.00 0.00 C ATOM 1574 C GLU A 101 11.840 -6.245 -5.491 1.00 0.00 C ATOM 1575 O GLU A 101 12.810 -5.537 -5.758 1.00 0.00 O ATOM 1576 CB GLU A 101 10.239 -5.211 -7.114 1.00 0.00 C ATOM 1577 CG GLU A 101 8.920 -5.618 -7.748 1.00 0.00 C ATOM 1578 CD GLU A 101 9.001 -6.959 -8.451 1.00 0.00 C ATOM 1579 OE1 GLU A 101 10.054 -7.252 -9.052 1.00 0.00 O ATOM 1580 OE2 GLU A 101 8.009 -7.717 -8.400 1.00 0.00 O ATOM 0 H GLU A 101 10.710 -3.864 -4.775 1.00 0.00 H new ATOM 0 HA GLU A 101 9.728 -6.559 -5.518 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.309 -4.123 -7.108 1.00 0.00 H new ATOM 0 HB3 GLU A 101 11.058 -5.580 -7.731 1.00 0.00 H new ATOM 0 HG2 GLU A 101 8.149 -5.661 -6.979 1.00 0.00 H new ATOM 0 HG3 GLU A 101 8.614 -4.855 -8.463 1.00 0.00 H new ATOM 1654 N VAL A 106 6.293 -12.643 0.994 1.00 0.00 N ATOM 1655 CA VAL A 106 5.829 -11.494 1.763 1.00 0.00 C ATOM 1656 C VAL A 106 6.667 -11.300 3.022 1.00 0.00 C ATOM 1657 O VAL A 106 6.855 -10.175 3.482 1.00 0.00 O ATOM 1658 CB VAL A 106 4.345 -11.645 2.153 1.00 0.00 C ATOM 1659 CG1 VAL A 106 4.145 -12.850 3.059 1.00 0.00 C ATOM 1660 CG2 VAL A 106 3.834 -10.375 2.817 1.00 0.00 C ATOM 0 HA VAL A 106 5.939 -10.617 1.125 1.00 0.00 H new ATOM 0 HB VAL A 106 3.767 -11.809 1.243 1.00 0.00 H new ATOM 0 HG11 VAL A 106 3.091 -12.937 3.321 1.00 0.00 H new ATOM 0 HG12 VAL A 106 4.465 -13.753 2.539 1.00 0.00 H new ATOM 0 HG13 VAL A 106 4.736 -12.725 3.967 1.00 0.00 H new ATOM 0 HG21 VAL A 106 2.785 -10.501 3.085 1.00 0.00 H new ATOM 0 HG22 VAL A 106 4.417 -10.175 3.716 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.934 -9.538 2.126 1.00 0.00 H new ATOM 1670 N GLU A 107 7.162 -12.405 3.581 1.00 0.00 N ATOM 1671 CA GLU A 107 7.978 -12.365 4.794 1.00 0.00 C ATOM 1672 C GLU A 107 8.953 -11.189 4.777 1.00 0.00 C ATOM 1673 O GLU A 107 9.119 -10.495 5.780 1.00 0.00 O ATOM 1674 CB GLU A 107 8.745 -13.674 4.952 1.00 0.00 C ATOM 1675 CG GLU A 107 9.220 -13.932 6.371 1.00 0.00 C ATOM 1676 CD GLU A 107 10.498 -13.188 6.703 1.00 0.00 C ATOM 1677 OE1 GLU A 107 11.565 -13.579 6.185 1.00 0.00 O ATOM 1678 OE2 GLU A 107 10.432 -12.214 7.482 1.00 0.00 O ATOM 0 H GLU A 107 7.011 -13.343 3.210 1.00 0.00 H new ATOM 0 HA GLU A 107 7.307 -12.232 5.642 1.00 0.00 H new ATOM 0 HB2 GLU A 107 8.108 -14.500 4.635 1.00 0.00 H new ATOM 0 HB3 GLU A 107 9.607 -13.663 4.285 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.439 -13.635 7.071 1.00 0.00 H new ATOM 0 HG3 GLU A 107 9.381 -15.001 6.507 1.00 0.00 H new ATOM 1685 N ARG A 108 9.589 -10.966 3.631 1.00 0.00 N ATOM 1686 CA ARG A 108 10.538 -9.869 3.489 1.00 0.00 C ATOM 1687 C ARG A 108 9.821 -8.528 3.589 1.00 0.00 C ATOM 1688 O ARG A 108 10.310 -7.593 4.224 1.00 0.00 O ATOM 1689 CB ARG A 108 11.274 -9.969 2.151 1.00 0.00 C ATOM 1690 CG ARG A 108 12.725 -9.521 2.220 1.00 0.00 C ATOM 1691 CD ARG A 108 13.675 -10.707 2.256 1.00 0.00 C ATOM 1692 NE ARG A 108 13.312 -11.670 3.293 1.00 0.00 N ATOM 1693 CZ ARG A 108 14.140 -12.598 3.766 1.00 0.00 C ATOM 1694 NH1 ARG A 108 15.379 -12.692 3.300 1.00 0.00 N ATOM 1695 NH2 ARG A 108 13.728 -13.435 4.708 1.00 0.00 N ATOM 0 H ARG A 108 9.464 -11.529 2.790 1.00 0.00 H new ATOM 0 HA ARG A 108 11.266 -9.939 4.297 1.00 0.00 H new ATOM 0 HB2 ARG A 108 11.237 -11.001 1.802 1.00 0.00 H new ATOM 0 HB3 ARG A 108 10.750 -9.363 1.411 1.00 0.00 H new ATOM 0 HG2 ARG A 108 12.955 -8.896 1.357 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.875 -8.907 3.108 1.00 0.00 H new ATOM 0 HD2 ARG A 108 13.673 -11.202 1.285 1.00 0.00 H new ATOM 0 HD3 ARG A 108 14.691 -10.352 2.431 1.00 0.00 H new ATOM 0 HE ARG A 108 12.368 -11.628 3.677 1.00 0.00 H new ATOM 0 HH11 ARG A 108 15.701 -12.051 2.575 1.00 0.00 H new ATOM 0 HH12 ARG A 108 16.009 -13.405 3.667 1.00 0.00 H new ATOM 0 HH21 ARG A 108 12.777 -13.367 5.070 1.00 0.00 H new ATOM 0 HH22 ARG A 108 14.362 -14.147 5.071 1.00 0.00 H new ATOM 1709 N PHE A 109 8.651 -8.446 2.964 1.00 0.00 N ATOM 1710 CA PHE A 109 7.850 -7.228 2.984 1.00 0.00 C ATOM 1711 C PHE A 109 7.497 -6.839 4.418 1.00 0.00 C ATOM 1712 O PHE A 109 7.318 -5.662 4.727 1.00 0.00 O ATOM 1713 CB PHE A 109 6.573 -7.425 2.158 1.00 0.00 C ATOM 1714 CG PHE A 109 5.568 -6.315 2.310 1.00 0.00 C ATOM 1715 CD1 PHE A 109 5.981 -4.996 2.403 1.00 0.00 C ATOM 1716 CD2 PHE A 109 4.211 -6.593 2.361 1.00 0.00 C ATOM 1717 CE1 PHE A 109 5.061 -3.975 2.545 1.00 0.00 C ATOM 1718 CE2 PHE A 109 3.285 -5.576 2.503 1.00 0.00 C ATOM 1719 CZ PHE A 109 3.712 -4.266 2.596 1.00 0.00 C ATOM 0 H PHE A 109 8.235 -9.213 2.435 1.00 0.00 H new ATOM 0 HA PHE A 109 8.436 -6.421 2.544 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.843 -7.515 1.106 1.00 0.00 H new ATOM 0 HB3 PHE A 109 6.106 -8.366 2.449 1.00 0.00 H new ATOM 0 HD1 PHE A 109 7.035 -4.763 2.364 1.00 0.00 H new ATOM 0 HD2 PHE A 109 3.873 -7.616 2.289 1.00 0.00 H new ATOM 0 HE1 PHE A 109 5.396 -2.951 2.616 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.230 -5.806 2.541 1.00 0.00 H new ATOM 0 HZ PHE A 109 2.991 -3.470 2.709 1.00 0.00 H new ATOM 1729 N LEU A 110 7.399 -7.838 5.289 1.00 0.00 N ATOM 1730 CA LEU A 110 7.068 -7.603 6.688 1.00 0.00 C ATOM 1731 C LEU A 110 8.175 -6.825 7.391 1.00 0.00 C ATOM 1732 O LEU A 110 7.907 -5.958 8.223 1.00 0.00 O ATOM 1733 CB LEU A 110 6.820 -8.924 7.403 1.00 0.00 C ATOM 1734 CG LEU A 110 5.462 -9.029 8.093 1.00 0.00 C ATOM 1735 CD1 LEU A 110 5.229 -10.443 8.588 1.00 0.00 C ATOM 1736 CD2 LEU A 110 5.369 -8.035 9.241 1.00 0.00 C ATOM 0 H LEU A 110 7.544 -8.819 5.049 1.00 0.00 H new ATOM 0 HA LEU A 110 6.157 -7.005 6.722 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.909 -9.735 6.681 1.00 0.00 H new ATOM 0 HB3 LEU A 110 7.603 -9.072 8.147 1.00 0.00 H new ATOM 0 HG LEU A 110 4.685 -8.786 7.368 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.257 -10.502 9.078 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.252 -11.132 7.744 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.010 -10.713 9.299 1.00 0.00 H new ATOM 0 HD21 LEU A 110 4.395 -8.124 9.721 1.00 0.00 H new ATOM 0 HD22 LEU A 110 6.153 -8.245 9.969 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.493 -7.023 8.857 1.00 0.00 H new ATOM 1748 N LEU A 111 9.421 -7.140 7.050 1.00 0.00 N ATOM 1749 CA LEU A 111 10.569 -6.470 7.648 1.00 0.00 C ATOM 1750 C LEU A 111 10.514 -4.966 7.406 1.00 0.00 C ATOM 1751 O LEU A 111 10.558 -4.174 8.347 1.00 0.00 O ATOM 1752 CB LEU A 111 11.870 -7.040 7.087 1.00 0.00 C ATOM 1753 CG LEU A 111 12.366 -8.317 7.770 1.00 0.00 C ATOM 1754 CD1 LEU A 111 11.420 -9.475 7.490 1.00 0.00 C ATOM 1755 CD2 LEU A 111 13.776 -8.654 7.307 1.00 0.00 C ATOM 0 H LEU A 111 9.660 -7.855 6.363 1.00 0.00 H new ATOM 0 HA LEU A 111 10.537 -6.647 8.723 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.731 -7.244 6.025 1.00 0.00 H new ATOM 0 HB3 LEU A 111 12.646 -6.279 7.166 1.00 0.00 H new ATOM 0 HG LEU A 111 12.388 -8.146 8.846 1.00 0.00 H new ATOM 0 HD11 LEU A 111 11.789 -10.374 7.984 1.00 0.00 H new ATOM 0 HD12 LEU A 111 10.427 -9.234 7.870 1.00 0.00 H new ATOM 0 HD13 LEU A 111 11.365 -9.648 6.415 1.00 0.00 H new ATOM 0 HD21 LEU A 111 14.114 -9.564 7.802 1.00 0.00 H new ATOM 0 HD22 LEU A 111 13.778 -8.806 6.228 1.00 0.00 H new ATOM 0 HD23 LEU A 111 14.448 -7.833 7.559 1.00 0.00 H new ATOM 1767 N THR A 112 10.418 -4.578 6.138 1.00 0.00 N ATOM 1768 CA THR A 112 10.357 -3.168 5.771 1.00 0.00 C ATOM 1769 C THR A 112 9.146 -2.489 6.406 1.00 0.00 C ATOM 1770 O THR A 112 9.241 -1.367 6.903 1.00 0.00 O ATOM 1771 CB THR A 112 10.300 -3.025 4.248 1.00 0.00 C ATOM 1772 OG1 THR A 112 11.465 -3.565 3.652 1.00 0.00 O ATOM 1773 CG2 THR A 112 10.170 -1.591 3.781 1.00 0.00 C ATOM 0 H THR A 112 10.381 -5.221 5.347 1.00 0.00 H new ATOM 0 HA THR A 112 11.257 -2.679 6.144 1.00 0.00 H new ATOM 0 HB THR A 112 9.407 -3.570 3.942 1.00 0.00 H new ATOM 0 HG1 THR A 112 11.410 -3.466 2.679 1.00 0.00 H new ATOM 0 HG21 THR A 112 10.135 -1.565 2.692 1.00 0.00 H new ATOM 0 HG22 THR A 112 9.254 -1.159 4.184 1.00 0.00 H new ATOM 0 HG23 THR A 112 11.027 -1.015 4.131 1.00 0.00 H new ATOM 1781 N ILE A 113 8.007 -3.177 6.378 1.00 0.00 N ATOM 1782 CA ILE A 113 6.766 -2.648 6.940 1.00 0.00 C ATOM 1783 C ILE A 113 6.993 -1.998 8.302 1.00 0.00 C ATOM 1784 O ILE A 113 6.678 -0.823 8.494 1.00 0.00 O ATOM 1785 CB ILE A 113 5.697 -3.759 7.066 1.00 0.00 C ATOM 1786 CG1 ILE A 113 4.942 -3.917 5.745 1.00 0.00 C ATOM 1787 CG2 ILE A 113 4.725 -3.464 8.202 1.00 0.00 C ATOM 1788 CD1 ILE A 113 4.133 -2.697 5.362 1.00 0.00 C ATOM 0 H ILE A 113 7.918 -4.107 5.970 1.00 0.00 H new ATOM 0 HA ILE A 113 6.407 -1.883 6.251 1.00 0.00 H new ATOM 0 HB ILE A 113 6.207 -4.695 7.297 1.00 0.00 H new ATOM 0 HG12 ILE A 113 5.657 -4.133 4.951 1.00 0.00 H new ATOM 0 HG13 ILE A 113 4.276 -4.777 5.817 1.00 0.00 H new ATOM 0 HG21 ILE A 113 3.986 -4.263 8.265 1.00 0.00 H new ATOM 0 HG22 ILE A 113 5.273 -3.401 9.142 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.220 -2.517 8.012 1.00 0.00 H new ATOM 0 HD11 ILE A 113 3.625 -2.880 4.415 1.00 0.00 H new ATOM 0 HD12 ILE A 113 3.394 -2.492 6.137 1.00 0.00 H new ATOM 0 HD13 ILE A 113 4.797 -1.839 5.257 1.00 0.00 H new ATOM 1800 N LYS A 114 7.542 -2.760 9.243 1.00 0.00 N ATOM 1801 CA LYS A 114 7.807 -2.240 10.578 1.00 0.00 C ATOM 1802 C LYS A 114 8.518 -0.902 10.469 1.00 0.00 C ATOM 1803 O LYS A 114 8.020 0.122 10.937 1.00 0.00 O ATOM 1804 CB LYS A 114 8.655 -3.226 11.379 1.00 0.00 C ATOM 1805 CG LYS A 114 8.784 -2.864 12.850 1.00 0.00 C ATOM 1806 CD LYS A 114 10.016 -2.010 13.108 1.00 0.00 C ATOM 1807 CE LYS A 114 11.294 -2.747 12.741 1.00 0.00 C ATOM 1808 NZ LYS A 114 12.328 -2.631 13.807 1.00 0.00 N ATOM 0 H LYS A 114 7.810 -3.734 9.106 1.00 0.00 H new ATOM 0 HA LYS A 114 6.860 -2.103 11.100 1.00 0.00 H new ATOM 0 HB2 LYS A 114 8.217 -4.221 11.295 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.650 -3.278 10.938 1.00 0.00 H new ATOM 0 HG2 LYS A 114 7.893 -2.326 13.173 1.00 0.00 H new ATOM 0 HG3 LYS A 114 8.840 -3.775 13.446 1.00 0.00 H new ATOM 0 HD2 LYS A 114 9.948 -1.088 12.530 1.00 0.00 H new ATOM 0 HD3 LYS A 114 10.049 -1.725 14.160 1.00 0.00 H new ATOM 0 HE2 LYS A 114 11.069 -3.799 12.567 1.00 0.00 H new ATOM 0 HE3 LYS A 114 11.689 -2.346 11.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 13.184 -3.147 13.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 12.562 -1.629 13.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 11.961 -3.036 14.692 1.00 0.00 H new ATOM 1822 N HIS A 115 9.683 -0.923 9.837 1.00 0.00 N ATOM 1823 CA HIS A 115 10.471 0.287 9.648 1.00 0.00 C ATOM 1824 C HIS A 115 9.638 1.383 8.986 1.00 0.00 C ATOM 1825 O HIS A 115 9.898 2.570 9.176 1.00 0.00 O ATOM 1826 CB HIS A 115 11.706 -0.013 8.799 1.00 0.00 C ATOM 1827 CG HIS A 115 12.807 0.985 8.969 1.00 0.00 C ATOM 1828 ND1 HIS A 115 12.581 2.329 9.181 1.00 0.00 N ATOM 1829 CD2 HIS A 115 14.153 0.830 8.959 1.00 0.00 C ATOM 1830 CE1 HIS A 115 13.738 2.956 9.293 1.00 0.00 C ATOM 1831 NE2 HIS A 115 14.707 2.069 9.162 1.00 0.00 N ATOM 0 H HIS A 115 10.104 -1.766 9.446 1.00 0.00 H new ATOM 0 HA HIS A 115 10.789 0.641 10.629 1.00 0.00 H new ATOM 0 HB2 HIS A 115 12.082 -1.003 9.057 1.00 0.00 H new ATOM 0 HB3 HIS A 115 11.415 -0.046 7.749 1.00 0.00 H new ATOM 0 HD1 HIS A 115 11.663 2.770 9.242 1.00 0.00 H new ATOM 0 HD2 HIS A 115 14.690 -0.096 8.818 1.00 0.00 H new ATOM 0 HE1 HIS A 115 13.869 4.014 9.463 1.00 0.00 H new ATOM 1840 N ALA A 116 8.631 0.980 8.212 1.00 0.00 N ATOM 1841 CA ALA A 116 7.766 1.937 7.535 1.00 0.00 C ATOM 1842 C ALA A 116 6.913 2.702 8.542 1.00 0.00 C ATOM 1843 O ALA A 116 6.713 3.910 8.413 1.00 0.00 O ATOM 1844 CB ALA A 116 6.883 1.225 6.519 1.00 0.00 C ATOM 0 H ALA A 116 8.397 0.002 8.041 1.00 0.00 H new ATOM 0 HA ALA A 116 8.394 2.655 7.008 1.00 0.00 H new ATOM 0 HB1 ALA A 116 6.242 1.952 6.021 1.00 0.00 H new ATOM 0 HB2 ALA A 116 7.509 0.726 5.779 1.00 0.00 H new ATOM 0 HB3 ALA A 116 6.265 0.486 7.029 1.00 0.00 H new ATOM 1850 N PHE A 117 6.413 1.988 9.546 1.00 0.00 N ATOM 1851 CA PHE A 117 5.579 2.591 10.577 1.00 0.00 C ATOM 1852 C PHE A 117 6.388 3.522 11.478 1.00 0.00 C ATOM 1853 O PHE A 117 5.838 4.438 12.087 1.00 0.00 O ATOM 1854 CB PHE A 117 4.919 1.499 11.418 1.00 0.00 C ATOM 1855 CG PHE A 117 3.629 0.999 10.837 1.00 0.00 C ATOM 1856 CD1 PHE A 117 2.436 1.640 11.124 1.00 0.00 C ATOM 1857 CD2 PHE A 117 3.610 -0.108 10.004 1.00 0.00 C ATOM 1858 CE1 PHE A 117 1.245 1.187 10.592 1.00 0.00 C ATOM 1859 CE2 PHE A 117 2.422 -0.566 9.468 1.00 0.00 C ATOM 1860 CZ PHE A 117 1.237 0.082 9.764 1.00 0.00 C ATOM 0 H PHE A 117 6.572 0.988 9.666 1.00 0.00 H new ATOM 0 HA PHE A 117 4.811 3.185 10.082 1.00 0.00 H new ATOM 0 HB2 PHE A 117 5.610 0.663 11.522 1.00 0.00 H new ATOM 0 HB3 PHE A 117 4.732 1.885 12.420 1.00 0.00 H new ATOM 0 HD1 PHE A 117 2.437 2.504 11.771 1.00 0.00 H new ATOM 0 HD2 PHE A 117 4.533 -0.618 9.771 1.00 0.00 H new ATOM 0 HE1 PHE A 117 0.321 1.696 10.823 1.00 0.00 H new ATOM 0 HE2 PHE A 117 2.419 -1.429 8.819 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.307 -0.276 9.348 1.00 0.00 H new ATOM 1870 N GLU A 118 7.695 3.282 11.560 1.00 0.00 N ATOM 1871 CA GLU A 118 8.571 4.104 12.392 1.00 0.00 C ATOM 1872 C GLU A 118 8.401 5.588 12.078 1.00 0.00 C ATOM 1873 O GLU A 118 8.659 6.444 12.925 1.00 0.00 O ATOM 1874 CB GLU A 118 10.028 3.696 12.198 1.00 0.00 C ATOM 1875 CG GLU A 118 10.406 2.419 12.932 1.00 0.00 C ATOM 1876 CD GLU A 118 11.854 2.412 13.383 1.00 0.00 C ATOM 1877 OE1 GLU A 118 12.280 3.395 14.025 1.00 0.00 O ATOM 1878 OE2 GLU A 118 12.560 1.422 13.096 1.00 0.00 O ATOM 0 H GLU A 118 8.169 2.528 11.063 1.00 0.00 H new ATOM 0 HA GLU A 118 8.289 3.940 13.432 1.00 0.00 H new ATOM 0 HB2 GLU A 118 10.221 3.564 11.133 1.00 0.00 H new ATOM 0 HB3 GLU A 118 10.672 4.506 12.540 1.00 0.00 H new ATOM 0 HG2 GLU A 118 9.758 2.298 13.800 1.00 0.00 H new ATOM 0 HG3 GLU A 118 10.228 1.564 12.280 1.00 0.00 H new