USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 780 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 CYS SG : rot 161:sc= 0.28 USER MOD Set 1.2: A 33 CYS SG : rot 73:sc= -3.12 USER MOD Single : A 3 THR OG1 : rot 180:sc= -0.0194 USER MOD Single : A 4 GLN : amide:sc= -3.78! C(o=-3.8!,f=-11!) USER MOD Single : A 6 LYS NZ :NH3+ 135:sc= 1.27 (180deg=0.9) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0771) USER MOD Single : A 26 TYR OH : rot 100:sc= -0.686 USER MOD Single : A 28 THR OG1 : rot -21:sc= -0.739! USER MOD Single : A 34 LYS NZ :NH3+ -165:sc= -0.029 (180deg=-0.288) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 MET CE :methyl 162:sc= -2.05 (180deg=-2.71!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -17:sc= 1.04 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot -128:sc= -0.195 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ -150:sc= -7.9! (180deg=-9.48!) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 LYS NZ :NH3+ -168:sc= -0.026 (180deg=-0.203) USER MOD Single : A 67 ASN : amide:sc= -0.845 K(o=-0.84,f=-0.2) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 90:sc= -7.19! USER MOD Single : A 79 LYS NZ :NH3+ 168:sc= -0.0384 (180deg=-0.233) USER MOD Single : A 80 ASN : amide:sc= -0.149 K(o=-0.15,f=-1.4) USER MOD Single : A 82 LYS NZ :NH3+ 166:sc= -0.0517 (180deg=-0.27) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc=-0.00986 X(o=-0.0099,f=-0.0099) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 ASN : amide:sc= -6.48! C(o=-6.5!,f=-5.4!) USER MOD ----------------------------------------------------------------- ATOM 20 N VAL A 2 -2.810 10.154 3.548 1.00 0.00 N ATOM 21 CA VAL A 2 -3.051 8.740 3.286 1.00 0.00 C ATOM 22 C VAL A 2 -4.535 8.470 3.040 1.00 0.00 C ATOM 23 O VAL A 2 -5.395 8.990 3.749 1.00 0.00 O ATOM 24 CB VAL A 2 -2.565 7.874 4.463 1.00 0.00 C ATOM 25 CG1 VAL A 2 -2.769 6.398 4.171 1.00 0.00 C ATOM 26 CG2 VAL A 2 -1.104 8.158 4.770 1.00 0.00 C ATOM 0 HA VAL A 2 -2.490 8.476 2.390 1.00 0.00 H new ATOM 0 HB VAL A 2 -3.159 8.133 5.339 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -2.418 5.808 5.017 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -3.829 6.203 4.007 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.207 6.123 3.279 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -0.780 7.536 5.605 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -0.497 7.933 3.893 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -0.985 9.209 5.033 1.00 0.00 H new ATOM 36 N THR A 3 -4.827 7.654 2.029 1.00 0.00 N ATOM 37 CA THR A 3 -6.207 7.319 1.692 1.00 0.00 C ATOM 38 C THR A 3 -6.302 5.921 1.077 1.00 0.00 C ATOM 39 O THR A 3 -5.306 5.368 0.614 1.00 0.00 O ATOM 40 CB THR A 3 -6.781 8.355 0.723 1.00 0.00 C ATOM 41 OG1 THR A 3 -6.745 9.649 1.297 1.00 0.00 O ATOM 42 CG2 THR A 3 -8.211 8.073 0.318 1.00 0.00 C ATOM 0 H THR A 3 -4.128 7.214 1.431 1.00 0.00 H new ATOM 0 HA THR A 3 -6.789 7.327 2.613 1.00 0.00 H new ATOM 0 HB THR A 3 -6.153 8.297 -0.166 1.00 0.00 H new ATOM 0 HG1 THR A 3 -7.114 10.299 0.663 1.00 0.00 H new ATOM 0 HG21 THR A 3 -8.554 8.846 -0.369 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.265 7.101 -0.173 1.00 0.00 H new ATOM 0 HG23 THR A 3 -8.846 8.068 1.204 1.00 0.00 H new ATOM 50 N GLN A 4 -7.510 5.363 1.071 1.00 0.00 N ATOM 51 CA GLN A 4 -7.740 4.036 0.506 1.00 0.00 C ATOM 52 C GLN A 4 -8.333 4.129 -0.896 1.00 0.00 C ATOM 53 O GLN A 4 -8.513 5.222 -1.431 1.00 0.00 O ATOM 54 CB GLN A 4 -8.667 3.219 1.413 1.00 0.00 C ATOM 55 CG GLN A 4 -9.808 4.017 2.027 1.00 0.00 C ATOM 56 CD GLN A 4 -10.673 4.715 0.995 1.00 0.00 C ATOM 57 OE1 GLN A 4 -10.218 5.612 0.286 1.00 0.00 O ATOM 58 NE2 GLN A 4 -11.934 4.308 0.910 1.00 0.00 N ATOM 0 H GLN A 4 -8.345 5.809 1.451 1.00 0.00 H new ATOM 0 HA GLN A 4 -6.776 3.533 0.438 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.086 2.394 0.836 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -8.075 2.778 2.215 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -10.431 3.349 2.622 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -9.396 4.761 2.709 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -12.271 3.561 1.517 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -12.566 4.743 0.238 1.00 0.00 H new ATOM 67 N PHE A 5 -8.630 2.975 -1.493 1.00 0.00 N ATOM 68 CA PHE A 5 -9.202 2.940 -2.835 1.00 0.00 C ATOM 69 C PHE A 5 -10.512 2.158 -2.869 1.00 0.00 C ATOM 70 O PHE A 5 -10.715 1.226 -2.091 1.00 0.00 O ATOM 71 CB PHE A 5 -8.216 2.321 -3.828 1.00 0.00 C ATOM 72 CG PHE A 5 -6.941 3.100 -3.984 1.00 0.00 C ATOM 73 CD1 PHE A 5 -6.961 4.485 -4.016 1.00 0.00 C ATOM 74 CD2 PHE A 5 -5.726 2.444 -4.124 1.00 0.00 C ATOM 75 CE1 PHE A 5 -5.793 5.205 -4.184 1.00 0.00 C ATOM 76 CE2 PHE A 5 -4.557 3.161 -4.289 1.00 0.00 C ATOM 77 CZ PHE A 5 -4.590 4.541 -4.322 1.00 0.00 C ATOM 0 H PHE A 5 -8.484 2.058 -1.070 1.00 0.00 H new ATOM 0 HA PHE A 5 -9.407 3.971 -3.122 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.975 1.309 -3.503 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.700 2.236 -4.801 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -7.900 5.008 -3.908 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.694 1.365 -4.104 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.821 6.284 -4.207 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.616 2.641 -4.392 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.676 5.101 -4.456 1.00 0.00 H new ATOM 87 N LYS A 6 -11.391 2.541 -3.791 1.00 0.00 N ATOM 88 CA LYS A 6 -12.680 1.879 -3.953 1.00 0.00 C ATOM 89 C LYS A 6 -12.908 1.475 -5.408 1.00 0.00 C ATOM 90 O LYS A 6 -13.468 0.418 -5.684 1.00 0.00 O ATOM 91 CB LYS A 6 -13.817 2.783 -3.472 1.00 0.00 C ATOM 92 CG LYS A 6 -13.863 2.950 -1.962 1.00 0.00 C ATOM 93 CD LYS A 6 -14.114 1.621 -1.264 1.00 0.00 C ATOM 94 CE LYS A 6 -14.204 1.789 0.242 1.00 0.00 C ATOM 95 NZ LYS A 6 -14.459 0.495 0.934 1.00 0.00 N ATOM 0 H LYS A 6 -11.232 3.311 -4.440 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.670 0.976 -3.343 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -13.711 3.764 -3.935 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -14.767 2.371 -3.813 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -12.922 3.374 -1.612 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -14.649 3.657 -1.696 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -15.039 1.182 -1.638 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -13.311 0.925 -1.506 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -13.276 2.222 0.614 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -15.002 2.491 0.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -13.832 0.413 1.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -15.450 0.458 1.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -14.273 -0.291 0.279 1.00 0.00 H new ATOM 109 N THR A 7 -12.467 2.314 -6.340 1.00 0.00 N ATOM 110 CA THR A 7 -12.624 2.017 -7.758 1.00 0.00 C ATOM 111 C THR A 7 -11.255 1.868 -8.414 1.00 0.00 C ATOM 112 O THR A 7 -10.241 2.277 -7.851 1.00 0.00 O ATOM 113 CB THR A 7 -13.424 3.120 -8.452 1.00 0.00 C ATOM 114 OG1 THR A 7 -14.575 3.452 -7.696 1.00 0.00 O ATOM 115 CG2 THR A 7 -13.891 2.738 -9.840 1.00 0.00 C ATOM 0 H THR A 7 -12.001 3.199 -6.140 1.00 0.00 H new ATOM 0 HA THR A 7 -13.170 1.079 -7.859 1.00 0.00 H new ATOM 0 HB THR A 7 -12.740 3.965 -8.533 1.00 0.00 H new ATOM 0 HG1 THR A 7 -15.074 4.160 -8.154 1.00 0.00 H new ATOM 0 HG21 THR A 7 -14.452 3.565 -10.276 1.00 0.00 H new ATOM 0 HG22 THR A 7 -13.027 2.516 -10.466 1.00 0.00 H new ATOM 0 HG23 THR A 7 -14.531 1.858 -9.779 1.00 0.00 H new ATOM 123 N ALA A 8 -11.231 1.283 -9.604 1.00 0.00 N ATOM 124 CA ALA A 8 -9.979 1.087 -10.325 1.00 0.00 C ATOM 125 C ALA A 8 -9.500 2.389 -10.945 1.00 0.00 C ATOM 126 O ALA A 8 -8.302 2.600 -11.129 1.00 0.00 O ATOM 127 CB ALA A 8 -10.139 0.010 -11.388 1.00 0.00 C ATOM 0 H ALA A 8 -12.059 0.937 -10.089 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.223 0.757 -9.612 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.195 -0.123 -11.916 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.425 -0.929 -10.914 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.912 0.310 -12.096 1.00 0.00 H new ATOM 133 N SER A 9 -10.443 3.269 -11.253 1.00 0.00 N ATOM 134 CA SER A 9 -10.124 4.562 -11.840 1.00 0.00 C ATOM 135 C SER A 9 -9.306 5.415 -10.872 1.00 0.00 C ATOM 136 O SER A 9 -8.755 6.445 -11.259 1.00 0.00 O ATOM 137 CB SER A 9 -11.411 5.295 -12.216 1.00 0.00 C ATOM 138 OG SER A 9 -12.151 4.570 -13.182 1.00 0.00 O ATOM 0 H SER A 9 -11.439 3.109 -11.105 1.00 0.00 H new ATOM 0 HA SER A 9 -9.528 4.392 -12.737 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.021 5.445 -11.325 1.00 0.00 H new ATOM 0 HB3 SER A 9 -11.169 6.283 -12.607 1.00 0.00 H new ATOM 0 HG SER A 9 -12.970 5.061 -13.403 1.00 0.00 H new ATOM 144 N GLU A 10 -9.239 4.990 -9.610 1.00 0.00 N ATOM 145 CA GLU A 10 -8.500 5.725 -8.600 1.00 0.00 C ATOM 146 C GLU A 10 -7.053 5.264 -8.526 1.00 0.00 C ATOM 147 O GLU A 10 -6.131 5.994 -8.891 1.00 0.00 O ATOM 148 CB GLU A 10 -9.168 5.567 -7.234 1.00 0.00 C ATOM 149 CG GLU A 10 -10.597 6.083 -7.192 1.00 0.00 C ATOM 150 CD GLU A 10 -11.239 5.913 -5.829 1.00 0.00 C ATOM 151 OE1 GLU A 10 -11.345 4.758 -5.364 1.00 0.00 O ATOM 152 OE2 GLU A 10 -11.635 6.932 -5.226 1.00 0.00 O ATOM 0 H GLU A 10 -9.689 4.141 -9.269 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.506 6.777 -8.884 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.163 4.513 -6.956 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.577 6.097 -6.487 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -10.606 7.138 -7.465 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -11.192 5.556 -7.938 1.00 0.00 H new ATOM 159 N PHE A 11 -6.868 4.049 -8.042 1.00 0.00 N ATOM 160 CA PHE A 11 -5.538 3.467 -7.898 1.00 0.00 C ATOM 161 C PHE A 11 -4.798 3.447 -9.237 1.00 0.00 C ATOM 162 O PHE A 11 -3.568 3.454 -9.278 1.00 0.00 O ATOM 163 CB PHE A 11 -5.642 2.047 -7.335 1.00 0.00 C ATOM 164 CG PHE A 11 -4.334 1.480 -6.845 1.00 0.00 C ATOM 165 CD1 PHE A 11 -3.172 2.243 -6.856 1.00 0.00 C ATOM 166 CD2 PHE A 11 -4.269 0.181 -6.363 1.00 0.00 C ATOM 167 CE1 PHE A 11 -1.979 1.719 -6.401 1.00 0.00 C ATOM 168 CE2 PHE A 11 -3.076 -0.345 -5.906 1.00 0.00 C ATOM 169 CZ PHE A 11 -1.931 0.426 -5.927 1.00 0.00 C ATOM 0 H PHE A 11 -7.627 3.439 -7.739 1.00 0.00 H new ATOM 0 HA PHE A 11 -4.970 4.087 -7.204 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -6.357 2.046 -6.512 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.043 1.390 -8.107 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -3.203 3.258 -7.225 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -5.162 -0.427 -6.345 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -1.083 2.322 -6.416 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -3.039 -1.358 -5.533 1.00 0.00 H new ATOM 0 HZ PHE A 11 -0.997 0.016 -5.572 1.00 0.00 H new ATOM 179 N ASP A 12 -5.552 3.421 -10.331 1.00 0.00 N ATOM 180 CA ASP A 12 -4.959 3.398 -11.666 1.00 0.00 C ATOM 181 C ASP A 12 -4.021 4.585 -11.875 1.00 0.00 C ATOM 182 O ASP A 12 -2.936 4.438 -12.436 1.00 0.00 O ATOM 183 CB ASP A 12 -6.056 3.405 -12.736 1.00 0.00 C ATOM 184 CG ASP A 12 -5.497 3.368 -14.145 1.00 0.00 C ATOM 185 OD1 ASP A 12 -4.257 3.331 -14.295 1.00 0.00 O ATOM 186 OD2 ASP A 12 -6.300 3.375 -15.103 1.00 0.00 O ATOM 0 H ASP A 12 -6.572 3.415 -10.321 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.376 2.482 -11.756 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.710 2.546 -12.586 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.670 4.298 -12.616 1.00 0.00 H new ATOM 191 N SER A 13 -4.449 5.760 -11.426 1.00 0.00 N ATOM 192 CA SER A 13 -3.649 6.971 -11.569 1.00 0.00 C ATOM 193 C SER A 13 -2.596 7.074 -10.468 1.00 0.00 C ATOM 194 O SER A 13 -1.569 7.730 -10.642 1.00 0.00 O ATOM 195 CB SER A 13 -4.549 8.207 -11.544 1.00 0.00 C ATOM 196 OG SER A 13 -5.495 8.171 -12.601 1.00 0.00 O ATOM 0 H SER A 13 -5.345 5.900 -10.960 1.00 0.00 H new ATOM 0 HA SER A 13 -3.135 6.919 -12.529 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.069 8.263 -10.588 1.00 0.00 H new ATOM 0 HB3 SER A 13 -3.939 9.107 -11.628 1.00 0.00 H new ATOM 0 HG SER A 13 -6.060 8.971 -12.562 1.00 0.00 H new ATOM 202 N ALA A 14 -2.857 6.428 -9.336 1.00 0.00 N ATOM 203 CA ALA A 14 -1.930 6.455 -8.211 1.00 0.00 C ATOM 204 C ALA A 14 -0.548 5.951 -8.614 1.00 0.00 C ATOM 205 O ALA A 14 0.466 6.562 -8.279 1.00 0.00 O ATOM 206 CB ALA A 14 -2.481 5.631 -7.055 1.00 0.00 C ATOM 0 H ALA A 14 -3.702 5.880 -9.174 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.823 7.491 -7.889 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.779 5.659 -6.221 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.439 6.044 -6.738 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.620 4.599 -7.377 1.00 0.00 H new ATOM 212 N ILE A 15 -0.513 4.832 -9.332 1.00 0.00 N ATOM 213 CA ILE A 15 0.749 4.250 -9.774 1.00 0.00 C ATOM 214 C ILE A 15 1.287 4.959 -11.011 1.00 0.00 C ATOM 215 O ILE A 15 2.453 5.344 -11.050 1.00 0.00 O ATOM 216 CB ILE A 15 0.613 2.738 -10.058 1.00 0.00 C ATOM 217 CG1 ILE A 15 -0.434 2.472 -11.144 1.00 0.00 C ATOM 218 CG2 ILE A 15 0.256 1.996 -8.779 1.00 0.00 C ATOM 219 CD1 ILE A 15 -0.678 0.998 -11.398 1.00 0.00 C ATOM 0 H ILE A 15 -1.342 4.312 -9.619 1.00 0.00 H new ATOM 0 HA ILE A 15 1.457 4.385 -8.957 1.00 0.00 H new ATOM 0 HB ILE A 15 1.572 2.371 -10.423 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.373 2.944 -10.856 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.112 2.944 -12.072 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.162 0.931 -8.990 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.040 2.151 -8.037 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -0.690 2.373 -8.391 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.430 0.883 -12.178 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.251 0.525 -11.717 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.030 0.524 -10.482 1.00 0.00 H new ATOM 231 N ALA A 16 0.436 5.129 -12.019 1.00 0.00 N ATOM 232 CA ALA A 16 0.836 5.784 -13.263 1.00 0.00 C ATOM 233 C ALA A 16 1.674 7.034 -13.014 1.00 0.00 C ATOM 234 O ALA A 16 1.141 8.108 -12.734 1.00 0.00 O ATOM 235 CB ALA A 16 -0.389 6.126 -14.095 1.00 0.00 C ATOM 0 H ALA A 16 -0.537 4.822 -12.000 1.00 0.00 H new ATOM 0 HA ALA A 16 1.461 5.081 -13.813 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -0.077 6.613 -15.019 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -0.934 5.212 -14.333 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -1.036 6.798 -13.531 1.00 0.00 H new ATOM 241 N GLN A 17 2.993 6.882 -13.127 1.00 0.00 N ATOM 242 CA GLN A 17 3.921 7.993 -12.924 1.00 0.00 C ATOM 243 C GLN A 17 3.563 8.790 -11.674 1.00 0.00 C ATOM 244 O GLN A 17 2.784 9.741 -11.737 1.00 0.00 O ATOM 245 CB GLN A 17 3.919 8.915 -14.145 1.00 0.00 C ATOM 246 CG GLN A 17 4.334 8.219 -15.432 1.00 0.00 C ATOM 247 CD GLN A 17 4.315 9.152 -16.628 1.00 0.00 C ATOM 248 OE1 GLN A 17 3.276 9.713 -16.976 1.00 0.00 O ATOM 249 NE2 GLN A 17 5.467 9.322 -17.265 1.00 0.00 N ATOM 0 H GLN A 17 3.444 5.997 -13.359 1.00 0.00 H new ATOM 0 HA GLN A 17 4.919 7.575 -12.790 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.920 9.333 -14.273 1.00 0.00 H new ATOM 0 HB3 GLN A 17 4.593 9.751 -13.960 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.336 7.807 -15.312 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.665 7.379 -15.619 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.304 8.837 -16.942 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.515 9.937 -18.077 1.00 0.00 H new ATOM 258 N ASP A 18 4.135 8.398 -10.543 1.00 0.00 N ATOM 259 CA ASP A 18 3.869 9.084 -9.289 1.00 0.00 C ATOM 260 C ASP A 18 4.794 8.590 -8.181 1.00 0.00 C ATOM 261 O ASP A 18 4.376 8.443 -7.033 1.00 0.00 O ATOM 262 CB ASP A 18 2.407 8.888 -8.880 1.00 0.00 C ATOM 263 CG ASP A 18 2.046 9.655 -7.622 1.00 0.00 C ATOM 264 OD1 ASP A 18 2.169 10.898 -7.628 1.00 0.00 O ATOM 265 OD2 ASP A 18 1.641 9.011 -6.631 1.00 0.00 O ATOM 0 H ASP A 18 4.782 7.613 -10.470 1.00 0.00 H new ATOM 0 HA ASP A 18 4.060 10.147 -9.440 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.759 9.209 -9.696 1.00 0.00 H new ATOM 0 HB3 ASP A 18 2.217 7.826 -8.721 1.00 0.00 H new ATOM 270 N LYS A 19 6.056 8.350 -8.525 1.00 0.00 N ATOM 271 CA LYS A 19 7.030 7.893 -7.547 1.00 0.00 C ATOM 272 C LYS A 19 6.631 6.524 -7.005 1.00 0.00 C ATOM 273 O LYS A 19 5.934 5.763 -7.673 1.00 0.00 O ATOM 274 CB LYS A 19 7.142 8.933 -6.426 1.00 0.00 C ATOM 275 CG LYS A 19 7.639 10.297 -6.887 1.00 0.00 C ATOM 276 CD LYS A 19 6.617 11.015 -7.756 1.00 0.00 C ATOM 277 CE LYS A 19 7.053 12.438 -8.065 1.00 0.00 C ATOM 278 NZ LYS A 19 8.348 12.477 -8.798 1.00 0.00 N ATOM 0 H LYS A 19 6.424 8.465 -9.469 1.00 0.00 H new ATOM 0 HA LYS A 19 8.007 7.785 -8.018 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.165 9.054 -5.959 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.817 8.553 -5.659 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.870 10.911 -6.017 1.00 0.00 H new ATOM 0 HG3 LYS A 19 8.567 10.174 -7.446 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.478 10.465 -8.687 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.653 11.031 -7.248 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.285 12.932 -8.660 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.146 12.999 -7.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.551 13.453 -9.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.109 12.138 -8.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.290 11.867 -9.638 1.00 0.00 H new ATOM 292 N LEU A 20 7.084 6.214 -5.804 1.00 0.00 N ATOM 293 CA LEU A 20 6.786 4.934 -5.182 1.00 0.00 C ATOM 294 C LEU A 20 5.621 5.062 -4.210 1.00 0.00 C ATOM 295 O LEU A 20 5.707 5.763 -3.203 1.00 0.00 O ATOM 296 CB LEU A 20 8.015 4.417 -4.436 1.00 0.00 C ATOM 297 CG LEU A 20 7.776 3.173 -3.580 1.00 0.00 C ATOM 298 CD1 LEU A 20 7.478 1.966 -4.454 1.00 0.00 C ATOM 299 CD2 LEU A 20 8.973 2.911 -2.680 1.00 0.00 C ATOM 0 H LEU A 20 7.662 6.833 -5.236 1.00 0.00 H new ATOM 0 HA LEU A 20 6.511 4.230 -5.968 1.00 0.00 H new ATOM 0 HB2 LEU A 20 8.796 4.194 -5.163 1.00 0.00 H new ATOM 0 HB3 LEU A 20 8.394 5.213 -3.795 1.00 0.00 H new ATOM 0 HG LEU A 20 6.906 3.351 -2.948 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.311 1.093 -3.824 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.586 2.159 -5.049 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.323 1.779 -5.117 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.787 2.022 -2.077 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.861 2.755 -3.292 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.130 3.768 -2.025 1.00 0.00 H new ATOM 311 N VAL A 21 4.531 4.374 -4.525 1.00 0.00 N ATOM 312 CA VAL A 21 3.341 4.402 -3.690 1.00 0.00 C ATOM 313 C VAL A 21 3.224 3.126 -2.863 1.00 0.00 C ATOM 314 O VAL A 21 3.402 2.022 -3.378 1.00 0.00 O ATOM 315 CB VAL A 21 2.064 4.569 -4.538 1.00 0.00 C ATOM 316 CG1 VAL A 21 0.834 4.666 -3.648 1.00 0.00 C ATOM 317 CG2 VAL A 21 2.177 5.792 -5.439 1.00 0.00 C ATOM 0 H VAL A 21 4.448 3.788 -5.356 1.00 0.00 H new ATOM 0 HA VAL A 21 3.440 5.259 -3.023 1.00 0.00 H new ATOM 0 HB VAL A 21 1.955 3.687 -5.170 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.055 4.783 -4.268 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.744 3.758 -3.052 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.931 5.526 -2.986 1.00 0.00 H new ATOM 0 HG21 VAL A 21 1.267 5.894 -6.030 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.314 6.683 -4.827 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.031 5.675 -6.106 1.00 0.00 H new ATOM 327 N VAL A 22 2.922 3.285 -1.581 1.00 0.00 N ATOM 328 CA VAL A 22 2.775 2.148 -0.683 1.00 0.00 C ATOM 329 C VAL A 22 1.302 1.812 -0.485 1.00 0.00 C ATOM 330 O VAL A 22 0.641 2.372 0.390 1.00 0.00 O ATOM 331 CB VAL A 22 3.415 2.430 0.689 1.00 0.00 C ATOM 332 CG1 VAL A 22 3.329 1.206 1.588 1.00 0.00 C ATOM 333 CG2 VAL A 22 4.859 2.878 0.521 1.00 0.00 C ATOM 0 H VAL A 22 2.774 4.192 -1.139 1.00 0.00 H new ATOM 0 HA VAL A 22 3.287 1.303 -1.143 1.00 0.00 H new ATOM 0 HB VAL A 22 2.860 3.237 1.167 1.00 0.00 H new ATOM 0 HG11 VAL A 22 3.787 1.429 2.551 1.00 0.00 H new ATOM 0 HG12 VAL A 22 2.283 0.937 1.737 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.855 0.373 1.120 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.296 3.073 1.500 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.427 2.094 0.020 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.890 3.788 -0.078 1.00 0.00 H new ATOM 343 N VAL A 23 0.791 0.902 -1.305 1.00 0.00 N ATOM 344 CA VAL A 23 -0.609 0.505 -1.221 1.00 0.00 C ATOM 345 C VAL A 23 -0.768 -0.809 -0.468 1.00 0.00 C ATOM 346 O VAL A 23 -0.148 -1.817 -0.810 1.00 0.00 O ATOM 347 CB VAL A 23 -1.239 0.378 -2.620 1.00 0.00 C ATOM 348 CG1 VAL A 23 -2.731 0.094 -2.515 1.00 0.00 C ATOM 349 CG2 VAL A 23 -0.979 1.641 -3.428 1.00 0.00 C ATOM 0 H VAL A 23 1.323 0.426 -2.034 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.130 1.289 -0.671 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.776 -0.462 -3.137 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -3.156 0.008 -3.515 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -2.887 -0.839 -1.973 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.220 0.909 -1.982 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.429 1.540 -4.416 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.417 2.497 -2.915 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.096 1.791 -3.532 1.00 0.00 H new ATOM 359 N ASP A 24 -1.601 -0.783 0.564 1.00 0.00 N ATOM 360 CA ASP A 24 -1.852 -1.961 1.385 1.00 0.00 C ATOM 361 C ASP A 24 -3.162 -2.636 0.984 1.00 0.00 C ATOM 362 O ASP A 24 -4.198 -1.981 0.871 1.00 0.00 O ATOM 363 CB ASP A 24 -1.903 -1.557 2.861 1.00 0.00 C ATOM 364 CG ASP A 24 -2.094 -2.743 3.785 1.00 0.00 C ATOM 365 OD1 ASP A 24 -1.191 -3.603 3.841 1.00 0.00 O ATOM 366 OD2 ASP A 24 -3.145 -2.810 4.454 1.00 0.00 O ATOM 0 H ASP A 24 -2.118 0.047 0.854 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.041 -2.672 1.229 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -0.980 -1.041 3.125 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -2.718 -0.849 3.012 1.00 0.00 H new ATOM 371 N PHE A 25 -3.116 -3.949 0.774 1.00 0.00 N ATOM 372 CA PHE A 25 -4.289 -4.712 0.393 1.00 0.00 C ATOM 373 C PHE A 25 -4.887 -5.404 1.614 1.00 0.00 C ATOM 374 O PHE A 25 -5.164 -6.603 1.593 1.00 0.00 O ATOM 375 CB PHE A 25 -3.896 -5.755 -0.653 1.00 0.00 C ATOM 376 CG PHE A 25 -3.646 -5.207 -2.027 1.00 0.00 C ATOM 377 CD1 PHE A 25 -2.715 -4.202 -2.251 1.00 0.00 C ATOM 378 CD2 PHE A 25 -4.322 -5.741 -3.105 1.00 0.00 C ATOM 379 CE1 PHE A 25 -2.472 -3.741 -3.533 1.00 0.00 C ATOM 380 CE2 PHE A 25 -4.089 -5.282 -4.384 1.00 0.00 C ATOM 381 CZ PHE A 25 -3.162 -4.282 -4.600 1.00 0.00 C ATOM 0 H PHE A 25 -2.267 -4.507 0.864 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.035 -4.037 -0.026 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.997 -6.269 -0.313 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.686 -6.503 -0.714 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -2.176 -3.776 -1.418 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.043 -6.529 -2.945 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.745 -2.960 -3.699 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.632 -5.705 -5.217 1.00 0.00 H new ATOM 0 HZ PHE A 25 -2.977 -3.923 -5.602 1.00 0.00 H new ATOM 391 N TYR A 26 -5.080 -4.634 2.682 1.00 0.00 N ATOM 392 CA TYR A 26 -5.638 -5.160 3.923 1.00 0.00 C ATOM 393 C TYR A 26 -6.923 -5.940 3.679 1.00 0.00 C ATOM 394 O TYR A 26 -7.761 -5.545 2.873 1.00 0.00 O ATOM 395 CB TYR A 26 -5.897 -4.021 4.915 1.00 0.00 C ATOM 396 CG TYR A 26 -6.571 -2.810 4.307 1.00 0.00 C ATOM 397 CD1 TYR A 26 -7.810 -2.909 3.685 1.00 0.00 C ATOM 398 CD2 TYR A 26 -5.966 -1.559 4.356 1.00 0.00 C ATOM 399 CE1 TYR A 26 -8.423 -1.802 3.133 1.00 0.00 C ATOM 400 CE2 TYR A 26 -6.573 -0.452 3.812 1.00 0.00 C ATOM 401 CZ TYR A 26 -7.802 -0.575 3.202 1.00 0.00 C ATOM 402 OH TYR A 26 -8.409 0.532 2.653 1.00 0.00 O ATOM 0 H TYR A 26 -4.857 -3.639 2.712 1.00 0.00 H new ATOM 0 HA TYR A 26 -4.905 -5.848 4.346 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.517 -4.397 5.729 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.948 -3.713 5.353 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.302 -3.869 3.633 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -5.001 -1.455 4.830 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.384 -1.898 2.650 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.088 0.511 3.863 1.00 0.00 H new ATOM 0 HH TYR A 26 -8.845 1.051 3.361 1.00 0.00 H new ATOM 412 N ALA A 27 -7.073 -7.053 4.390 1.00 0.00 N ATOM 413 CA ALA A 27 -8.260 -7.884 4.256 1.00 0.00 C ATOM 414 C ALA A 27 -9.505 -7.098 4.628 1.00 0.00 C ATOM 415 O ALA A 27 -9.486 -6.290 5.555 1.00 0.00 O ATOM 416 CB ALA A 27 -8.141 -9.127 5.122 1.00 0.00 C ATOM 0 H ALA A 27 -6.388 -7.398 5.063 1.00 0.00 H new ATOM 0 HA ALA A 27 -8.345 -8.195 3.215 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.038 -9.736 5.009 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.269 -9.704 4.813 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.031 -8.834 6.166 1.00 0.00 H new ATOM 422 N THR A 28 -10.588 -7.333 3.900 1.00 0.00 N ATOM 423 CA THR A 28 -11.838 -6.638 4.160 1.00 0.00 C ATOM 424 C THR A 28 -12.460 -7.077 5.487 1.00 0.00 C ATOM 425 O THR A 28 -13.414 -6.463 5.965 1.00 0.00 O ATOM 426 CB THR A 28 -12.830 -6.885 3.028 1.00 0.00 C ATOM 427 OG1 THR A 28 -14.071 -6.263 3.312 1.00 0.00 O ATOM 428 CG2 THR A 28 -13.098 -8.353 2.774 1.00 0.00 C ATOM 0 H THR A 28 -10.625 -7.998 3.127 1.00 0.00 H new ATOM 0 HA THR A 28 -11.612 -5.574 4.222 1.00 0.00 H new ATOM 0 HB THR A 28 -12.367 -6.461 2.137 1.00 0.00 H new ATOM 0 HG1 THR A 28 -14.147 -6.111 4.277 1.00 0.00 H new ATOM 0 HG21 THR A 28 -13.812 -8.456 1.957 1.00 0.00 H new ATOM 0 HG22 THR A 28 -12.166 -8.852 2.507 1.00 0.00 H new ATOM 0 HG23 THR A 28 -13.509 -8.809 3.675 1.00 0.00 H new ATOM 436 N TRP A 29 -11.931 -8.151 6.066 1.00 0.00 N ATOM 437 CA TRP A 29 -12.451 -8.678 7.323 1.00 0.00 C ATOM 438 C TRP A 29 -11.490 -8.452 8.490 1.00 0.00 C ATOM 439 O TRP A 29 -11.914 -8.051 9.574 1.00 0.00 O ATOM 440 CB TRP A 29 -12.738 -10.173 7.184 1.00 0.00 C ATOM 441 CG TRP A 29 -11.640 -10.911 6.482 1.00 0.00 C ATOM 442 CD1 TRP A 29 -11.459 -11.020 5.133 1.00 0.00 C ATOM 443 CD2 TRP A 29 -10.551 -11.609 7.093 1.00 0.00 C ATOM 444 NE1 TRP A 29 -10.337 -11.764 4.868 1.00 0.00 N ATOM 445 CE2 TRP A 29 -9.759 -12.134 6.055 1.00 0.00 C ATOM 446 CE3 TRP A 29 -10.173 -11.846 8.416 1.00 0.00 C ATOM 447 CZ2 TRP A 29 -8.611 -12.879 6.299 1.00 0.00 C ATOM 448 CZ3 TRP A 29 -9.032 -12.584 8.659 1.00 0.00 C ATOM 449 CH2 TRP A 29 -8.261 -13.094 7.605 1.00 0.00 C ATOM 0 H TRP A 29 -11.142 -8.673 5.684 1.00 0.00 H new ATOM 0 HA TRP A 29 -13.372 -8.137 7.541 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -12.884 -10.604 8.174 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -13.670 -10.310 6.636 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -12.104 -10.585 4.384 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -9.990 -12.003 3.939 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.762 -11.459 9.234 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -8.017 -13.274 5.488 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -8.728 -12.772 9.678 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.374 -13.668 7.828 1.00 0.00 H new ATOM 460 N CYS A 30 -10.203 -8.729 8.275 1.00 0.00 N ATOM 461 CA CYS A 30 -9.198 -8.569 9.330 1.00 0.00 C ATOM 462 C CYS A 30 -9.418 -7.274 10.114 1.00 0.00 C ATOM 463 O CYS A 30 -9.743 -6.237 9.535 1.00 0.00 O ATOM 464 CB CYS A 30 -7.783 -8.577 8.746 1.00 0.00 C ATOM 465 SG CYS A 30 -6.483 -8.691 9.999 1.00 0.00 S ATOM 0 H CYS A 30 -9.832 -9.063 7.386 1.00 0.00 H new ATOM 0 HA CYS A 30 -9.308 -9.414 10.010 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.688 -9.417 8.058 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -7.635 -7.669 8.162 1.00 0.00 H new ATOM 0 HG CYS A 30 -5.379 -9.093 9.443 1.00 0.00 H new ATOM 471 N GLY A 31 -9.244 -7.346 11.430 1.00 0.00 N ATOM 472 CA GLY A 31 -9.436 -6.174 12.266 1.00 0.00 C ATOM 473 C GLY A 31 -8.164 -5.365 12.447 1.00 0.00 C ATOM 474 O GLY A 31 -8.136 -4.175 12.133 1.00 0.00 O ATOM 0 H GLY A 31 -8.974 -8.192 11.932 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.204 -5.540 11.824 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -9.804 -6.487 13.243 1.00 0.00 H new ATOM 478 N PRO A 32 -7.087 -5.986 12.961 1.00 0.00 N ATOM 479 CA PRO A 32 -5.809 -5.302 13.183 1.00 0.00 C ATOM 480 C PRO A 32 -5.377 -4.455 11.988 1.00 0.00 C ATOM 481 O PRO A 32 -4.661 -3.465 12.144 1.00 0.00 O ATOM 482 CB PRO A 32 -4.833 -6.456 13.401 1.00 0.00 C ATOM 483 CG PRO A 32 -5.666 -7.543 13.987 1.00 0.00 C ATOM 484 CD PRO A 32 -7.032 -7.404 13.368 1.00 0.00 C ATOM 0 HA PRO A 32 -5.862 -4.600 14.015 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.373 -6.770 12.464 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.024 -6.170 14.073 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.238 -8.522 13.770 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.719 -7.451 15.072 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -7.155 -8.071 12.515 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -7.821 -7.648 14.079 1.00 0.00 H new ATOM 492 N CYS A 33 -5.812 -4.850 10.797 1.00 0.00 N ATOM 493 CA CYS A 33 -5.467 -4.125 9.579 1.00 0.00 C ATOM 494 C CYS A 33 -6.080 -2.723 9.567 1.00 0.00 C ATOM 495 O CYS A 33 -5.621 -1.844 8.836 1.00 0.00 O ATOM 496 CB CYS A 33 -5.939 -4.898 8.347 1.00 0.00 C ATOM 497 SG CYS A 33 -5.062 -6.451 8.066 1.00 0.00 S ATOM 0 H CYS A 33 -6.404 -5.667 10.648 1.00 0.00 H new ATOM 0 HA CYS A 33 -4.382 -4.026 9.554 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -7.004 -5.109 8.450 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.823 -4.264 7.468 1.00 0.00 H new ATOM 0 HG CYS A 33 -5.433 -7.326 8.953 1.00 0.00 H new ATOM 503 N LYS A 34 -7.128 -2.522 10.364 1.00 0.00 N ATOM 504 CA LYS A 34 -7.811 -1.230 10.424 1.00 0.00 C ATOM 505 C LYS A 34 -6.985 -0.185 11.171 1.00 0.00 C ATOM 506 O LYS A 34 -7.076 1.008 10.882 1.00 0.00 O ATOM 507 CB LYS A 34 -9.180 -1.382 11.089 1.00 0.00 C ATOM 508 CG LYS A 34 -10.107 -2.340 10.359 1.00 0.00 C ATOM 509 CD LYS A 34 -11.451 -2.455 11.062 1.00 0.00 C ATOM 510 CE LYS A 34 -12.386 -3.402 10.325 1.00 0.00 C ATOM 511 NZ LYS A 34 -12.656 -2.944 8.935 1.00 0.00 N ATOM 0 H LYS A 34 -7.523 -3.236 10.976 1.00 0.00 H new ATOM 0 HA LYS A 34 -7.942 -0.883 9.399 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.041 -1.732 12.112 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.656 -0.403 11.149 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -10.258 -1.994 9.336 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.641 -3.324 10.298 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.300 -2.811 12.081 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.911 -1.469 11.133 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -11.947 -4.399 10.300 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.326 -3.481 10.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -13.477 -3.456 8.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.856 -1.923 8.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -11.824 -3.132 8.340 1.00 0.00 H new ATOM 525 N MET A 35 -6.175 -0.636 12.123 1.00 0.00 N ATOM 526 CA MET A 35 -5.329 0.273 12.895 1.00 0.00 C ATOM 527 C MET A 35 -4.089 0.675 12.099 1.00 0.00 C ATOM 528 O MET A 35 -3.192 1.343 12.615 1.00 0.00 O ATOM 529 CB MET A 35 -4.903 -0.384 14.209 1.00 0.00 C ATOM 530 CG MET A 35 -6.033 -0.550 15.217 1.00 0.00 C ATOM 531 SD MET A 35 -7.321 -1.682 14.658 1.00 0.00 S ATOM 532 CE MET A 35 -8.450 -1.622 16.045 1.00 0.00 C ATOM 0 H MET A 35 -6.085 -1.619 12.379 1.00 0.00 H new ATOM 0 HA MET A 35 -5.911 1.169 13.111 1.00 0.00 H new ATOM 0 HB2 MET A 35 -4.478 -1.364 13.992 1.00 0.00 H new ATOM 0 HB3 MET A 35 -4.112 0.214 14.662 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.621 -0.914 16.158 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.477 0.425 15.419 1.00 0.00 H new ATOM 0 HE1 MET A 35 -9.302 -2.273 15.849 1.00 0.00 H new ATOM 0 HE2 MET A 35 -7.937 -1.957 16.947 1.00 0.00 H new ATOM 0 HE3 MET A 35 -8.800 -0.599 16.185 1.00 0.00 H new ATOM 542 N ILE A 36 -4.047 0.253 10.841 1.00 0.00 N ATOM 543 CA ILE A 36 -2.931 0.543 9.953 1.00 0.00 C ATOM 544 C ILE A 36 -3.054 1.924 9.305 1.00 0.00 C ATOM 545 O ILE A 36 -2.049 2.541 8.954 1.00 0.00 O ATOM 546 CB ILE A 36 -2.847 -0.534 8.859 1.00 0.00 C ATOM 547 CG1 ILE A 36 -2.495 -1.883 9.483 1.00 0.00 C ATOM 548 CG2 ILE A 36 -1.838 -0.152 7.796 1.00 0.00 C ATOM 549 CD1 ILE A 36 -2.430 -3.009 8.484 1.00 0.00 C ATOM 0 H ILE A 36 -4.787 -0.300 10.409 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.022 0.540 10.555 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.821 -0.614 8.375 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.533 -1.800 9.989 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.236 -2.126 10.245 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -1.799 -0.931 7.035 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.134 0.791 7.336 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.854 -0.040 8.252 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.175 -3.936 8.997 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.398 -3.119 7.996 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.669 -2.788 7.735 1.00 0.00 H new ATOM 561 N ALA A 37 -4.283 2.401 9.147 1.00 0.00 N ATOM 562 CA ALA A 37 -4.525 3.707 8.539 1.00 0.00 C ATOM 563 C ALA A 37 -3.653 4.802 9.159 1.00 0.00 C ATOM 564 O ALA A 37 -3.054 5.599 8.436 1.00 0.00 O ATOM 565 CB ALA A 37 -5.995 4.077 8.646 1.00 0.00 C ATOM 0 H ALA A 37 -5.128 1.905 9.431 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.251 3.631 7.487 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.159 5.053 8.188 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.597 3.329 8.130 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.285 4.115 9.696 1.00 0.00 H new ATOM 571 N PRO A 38 -3.554 4.859 10.500 1.00 0.00 N ATOM 572 CA PRO A 38 -2.732 5.866 11.167 1.00 0.00 C ATOM 573 C PRO A 38 -1.253 5.573 10.986 1.00 0.00 C ATOM 574 O PRO A 38 -0.450 6.482 10.790 1.00 0.00 O ATOM 575 CB PRO A 38 -3.141 5.759 12.636 1.00 0.00 C ATOM 576 CG PRO A 38 -3.657 4.371 12.798 1.00 0.00 C ATOM 577 CD PRO A 38 -4.209 3.950 11.459 1.00 0.00 C ATOM 0 HA PRO A 38 -2.883 6.867 10.762 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -2.293 5.943 13.295 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -3.905 6.495 12.887 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -2.861 3.698 13.117 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.432 4.334 13.564 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.978 2.907 11.242 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -5.294 4.049 11.426 1.00 0.00 H new ATOM 585 N MET A 39 -0.903 4.290 11.017 1.00 0.00 N ATOM 586 CA MET A 39 0.477 3.881 10.820 1.00 0.00 C ATOM 587 C MET A 39 0.928 4.292 9.426 1.00 0.00 C ATOM 588 O MET A 39 1.931 4.983 9.266 1.00 0.00 O ATOM 589 CB MET A 39 0.619 2.367 10.995 1.00 0.00 C ATOM 590 CG MET A 39 2.032 1.864 10.820 1.00 0.00 C ATOM 591 SD MET A 39 2.176 0.081 11.046 1.00 0.00 S ATOM 592 CE MET A 39 1.103 -0.512 9.741 1.00 0.00 C ATOM 0 H MET A 39 -1.555 3.522 11.176 1.00 0.00 H new ATOM 0 HA MET A 39 1.104 4.370 11.565 1.00 0.00 H new ATOM 0 HB2 MET A 39 0.265 2.091 11.988 1.00 0.00 H new ATOM 0 HB3 MET A 39 -0.027 1.865 10.275 1.00 0.00 H new ATOM 0 HG2 MET A 39 2.385 2.128 9.823 1.00 0.00 H new ATOM 0 HG3 MET A 39 2.683 2.369 11.533 1.00 0.00 H new ATOM 0 HE1 MET A 39 1.323 -1.560 9.537 1.00 0.00 H new ATOM 0 HE2 MET A 39 0.063 -0.414 10.052 1.00 0.00 H new ATOM 0 HE3 MET A 39 1.269 0.076 8.838 1.00 0.00 H new ATOM 602 N ILE A 40 0.152 3.889 8.421 1.00 0.00 N ATOM 603 CA ILE A 40 0.443 4.237 7.034 1.00 0.00 C ATOM 604 C ILE A 40 0.750 5.728 6.906 1.00 0.00 C ATOM 605 O ILE A 40 1.508 6.145 6.032 1.00 0.00 O ATOM 606 CB ILE A 40 -0.746 3.874 6.107 1.00 0.00 C ATOM 607 CG1 ILE A 40 -0.920 2.358 6.026 1.00 0.00 C ATOM 608 CG2 ILE A 40 -0.549 4.460 4.715 1.00 0.00 C ATOM 609 CD1 ILE A 40 -2.060 1.923 5.124 1.00 0.00 C ATOM 0 H ILE A 40 -0.685 3.319 8.544 1.00 0.00 H new ATOM 0 HA ILE A 40 1.317 3.662 6.727 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.651 4.306 6.534 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.007 1.913 5.665 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -1.092 1.967 7.029 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.396 4.191 4.084 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.478 5.545 4.784 1.00 0.00 H new ATOM 0 HG23 ILE A 40 0.368 4.063 4.280 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.123 0.835 5.116 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.997 2.338 5.496 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.880 2.284 4.111 1.00 0.00 H new ATOM 621 N GLU A 41 0.155 6.521 7.791 1.00 0.00 N ATOM 622 CA GLU A 41 0.360 7.963 7.788 1.00 0.00 C ATOM 623 C GLU A 41 1.698 8.321 8.431 1.00 0.00 C ATOM 624 O GLU A 41 2.371 9.259 8.003 1.00 0.00 O ATOM 625 CB GLU A 41 -0.787 8.652 8.530 1.00 0.00 C ATOM 626 CG GLU A 41 -0.674 10.169 8.560 1.00 0.00 C ATOM 627 CD GLU A 41 -1.800 10.824 9.336 1.00 0.00 C ATOM 628 OE1 GLU A 41 -2.672 10.093 9.852 1.00 0.00 O ATOM 629 OE2 GLU A 41 -1.811 12.070 9.427 1.00 0.00 O ATOM 0 H GLU A 41 -0.474 6.187 8.521 1.00 0.00 H new ATOM 0 HA GLU A 41 0.376 8.310 6.755 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.730 8.376 8.058 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -0.821 8.279 9.554 1.00 0.00 H new ATOM 0 HG2 GLU A 41 0.280 10.449 9.006 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.673 10.550 7.539 1.00 0.00 H new ATOM 636 N LYS A 42 2.078 7.567 9.457 1.00 0.00 N ATOM 637 CA LYS A 42 3.334 7.801 10.154 1.00 0.00 C ATOM 638 C LYS A 42 4.530 7.651 9.215 1.00 0.00 C ATOM 639 O LYS A 42 5.609 8.179 9.485 1.00 0.00 O ATOM 640 CB LYS A 42 3.458 6.825 11.322 1.00 0.00 C ATOM 641 CG LYS A 42 2.345 6.957 12.334 1.00 0.00 C ATOM 642 CD LYS A 42 2.452 8.259 13.103 1.00 0.00 C ATOM 643 CE LYS A 42 1.509 8.264 14.286 1.00 0.00 C ATOM 644 NZ LYS A 42 1.570 9.543 15.045 1.00 0.00 N ATOM 0 H LYS A 42 1.532 6.788 9.824 1.00 0.00 H new ATOM 0 HA LYS A 42 3.333 8.825 10.529 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.468 5.806 10.935 1.00 0.00 H new ATOM 0 HB3 LYS A 42 4.414 6.986 11.821 1.00 0.00 H new ATOM 0 HG2 LYS A 42 1.382 6.910 11.826 1.00 0.00 H new ATOM 0 HG3 LYS A 42 2.381 6.118 13.029 1.00 0.00 H new ATOM 0 HD2 LYS A 42 3.476 8.399 13.448 1.00 0.00 H new ATOM 0 HD3 LYS A 42 2.220 9.096 12.444 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.490 8.098 13.937 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.757 7.436 14.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.908 9.503 15.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.536 9.690 15.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 1.308 10.331 14.419 1.00 0.00 H new ATOM 658 N PHE A 43 4.338 6.927 8.116 1.00 0.00 N ATOM 659 CA PHE A 43 5.410 6.710 7.148 1.00 0.00 C ATOM 660 C PHE A 43 5.425 7.792 6.074 1.00 0.00 C ATOM 661 O PHE A 43 6.440 8.005 5.412 1.00 0.00 O ATOM 662 CB PHE A 43 5.275 5.330 6.499 1.00 0.00 C ATOM 663 CG PHE A 43 5.488 4.196 7.457 1.00 0.00 C ATOM 664 CD1 PHE A 43 4.661 4.039 8.556 1.00 0.00 C ATOM 665 CD2 PHE A 43 6.514 3.286 7.259 1.00 0.00 C ATOM 666 CE1 PHE A 43 4.854 2.996 9.442 1.00 0.00 C ATOM 667 CE2 PHE A 43 6.712 2.241 8.141 1.00 0.00 C ATOM 668 CZ PHE A 43 5.881 2.095 9.234 1.00 0.00 C ATOM 0 H PHE A 43 3.453 6.482 7.873 1.00 0.00 H new ATOM 0 HA PHE A 43 6.355 6.760 7.689 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.283 5.240 6.057 1.00 0.00 H new ATOM 0 HB3 PHE A 43 5.995 5.248 5.685 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.856 4.739 8.723 1.00 0.00 H new ATOM 0 HD2 PHE A 43 7.167 3.395 6.405 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.203 2.885 10.296 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.516 1.539 7.976 1.00 0.00 H new ATOM 0 HZ PHE A 43 6.033 1.279 9.925 1.00 0.00 H new ATOM 678 N SER A 44 4.301 8.479 5.907 1.00 0.00 N ATOM 679 CA SER A 44 4.204 9.541 4.914 1.00 0.00 C ATOM 680 C SER A 44 4.956 10.791 5.370 1.00 0.00 C ATOM 681 O SER A 44 5.090 11.753 4.611 1.00 0.00 O ATOM 682 CB SER A 44 2.739 9.883 4.640 1.00 0.00 C ATOM 683 OG SER A 44 2.096 10.353 5.812 1.00 0.00 O ATOM 0 H SER A 44 3.448 8.321 6.444 1.00 0.00 H new ATOM 0 HA SER A 44 4.663 9.181 3.993 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.679 10.642 3.860 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.220 9.000 4.266 1.00 0.00 H new ATOM 0 HG SER A 44 2.631 10.114 6.597 1.00 0.00 H new ATOM 689 N GLU A 45 5.445 10.775 6.608 1.00 0.00 N ATOM 690 CA GLU A 45 6.182 11.911 7.150 1.00 0.00 C ATOM 691 C GLU A 45 7.674 11.777 6.867 1.00 0.00 C ATOM 692 O GLU A 45 8.384 12.776 6.735 1.00 0.00 O ATOM 693 CB GLU A 45 5.946 12.023 8.659 1.00 0.00 C ATOM 694 CG GLU A 45 4.482 12.183 9.039 1.00 0.00 C ATOM 695 CD GLU A 45 3.856 13.434 8.454 1.00 0.00 C ATOM 696 OE1 GLU A 45 3.810 13.550 7.212 1.00 0.00 O ATOM 697 OE2 GLU A 45 3.412 14.297 9.239 1.00 0.00 O ATOM 0 H GLU A 45 5.344 9.990 7.252 1.00 0.00 H new ATOM 0 HA GLU A 45 5.818 12.815 6.662 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.344 11.133 9.147 1.00 0.00 H new ATOM 0 HB3 GLU A 45 6.507 12.875 9.043 1.00 0.00 H new ATOM 0 HG2 GLU A 45 3.925 11.310 8.698 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.394 12.212 10.125 1.00 0.00 H new ATOM 704 N GLN A 46 8.147 10.538 6.777 1.00 0.00 N ATOM 705 CA GLN A 46 9.558 10.272 6.513 1.00 0.00 C ATOM 706 C GLN A 46 9.840 10.159 5.018 1.00 0.00 C ATOM 707 O GLN A 46 10.941 10.469 4.562 1.00 0.00 O ATOM 708 CB GLN A 46 9.994 8.993 7.226 1.00 0.00 C ATOM 709 CG GLN A 46 9.857 9.078 8.734 1.00 0.00 C ATOM 710 CD GLN A 46 10.291 7.804 9.433 1.00 0.00 C ATOM 711 OE1 GLN A 46 11.441 7.381 9.316 1.00 0.00 O ATOM 712 NE2 GLN A 46 9.371 7.186 10.164 1.00 0.00 N ATOM 0 H GLN A 46 7.574 9.701 6.883 1.00 0.00 H new ATOM 0 HA GLN A 46 10.132 11.115 6.898 1.00 0.00 H new ATOM 0 HB2 GLN A 46 9.397 8.158 6.859 1.00 0.00 H new ATOM 0 HB3 GLN A 46 11.032 8.778 6.973 1.00 0.00 H new ATOM 0 HG2 GLN A 46 10.455 9.912 9.103 1.00 0.00 H new ATOM 0 HG3 GLN A 46 8.819 9.292 8.989 1.00 0.00 H new ATOM 0 HE21 GLN A 46 8.430 7.573 10.233 1.00 0.00 H new ATOM 0 HE22 GLN A 46 9.605 6.324 10.657 1.00 0.00 H new ATOM 721 N TYR A 47 8.847 9.707 4.256 1.00 0.00 N ATOM 722 CA TYR A 47 9.009 9.554 2.814 1.00 0.00 C ATOM 723 C TYR A 47 7.959 10.356 2.039 1.00 0.00 C ATOM 724 O TYR A 47 7.380 9.860 1.074 1.00 0.00 O ATOM 725 CB TYR A 47 8.914 8.078 2.438 1.00 0.00 C ATOM 726 CG TYR A 47 9.932 7.213 3.143 1.00 0.00 C ATOM 727 CD1 TYR A 47 11.283 7.291 2.828 1.00 0.00 C ATOM 728 CD2 TYR A 47 9.540 6.321 4.131 1.00 0.00 C ATOM 729 CE1 TYR A 47 12.214 6.499 3.474 1.00 0.00 C ATOM 730 CE2 TYR A 47 10.465 5.527 4.784 1.00 0.00 C ATOM 731 CZ TYR A 47 11.799 5.618 4.450 1.00 0.00 C ATOM 732 OH TYR A 47 12.722 4.830 5.096 1.00 0.00 O ATOM 0 H TYR A 47 7.928 9.442 4.611 1.00 0.00 H new ATOM 0 HA TYR A 47 9.991 9.942 2.544 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.914 7.714 2.673 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.045 7.976 1.361 1.00 0.00 H new ATOM 0 HD1 TYR A 47 11.611 7.982 2.066 1.00 0.00 H new ATOM 0 HD2 TYR A 47 8.495 6.246 4.394 1.00 0.00 H new ATOM 0 HE1 TYR A 47 13.260 6.570 3.216 1.00 0.00 H new ATOM 0 HE2 TYR A 47 10.144 4.839 5.552 1.00 0.00 H new ATOM 0 HH TYR A 47 12.438 3.893 5.055 1.00 0.00 H new ATOM 742 N PRO A 48 7.696 11.613 2.454 1.00 0.00 N ATOM 743 CA PRO A 48 6.714 12.481 1.798 1.00 0.00 C ATOM 744 C PRO A 48 6.724 12.360 0.278 1.00 0.00 C ATOM 745 O PRO A 48 5.693 12.520 -0.376 1.00 0.00 O ATOM 746 CB PRO A 48 7.157 13.875 2.227 1.00 0.00 C ATOM 747 CG PRO A 48 7.764 13.683 3.576 1.00 0.00 C ATOM 748 CD PRO A 48 8.329 12.283 3.606 1.00 0.00 C ATOM 0 HA PRO A 48 5.693 12.225 2.081 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.878 14.295 1.525 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.313 14.564 2.267 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.547 14.420 3.756 1.00 0.00 H new ATOM 0 HG3 PRO A 48 7.017 13.815 4.358 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.415 12.290 3.515 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.090 11.777 4.542 1.00 0.00 H new ATOM 756 N GLN A 49 7.893 12.080 -0.272 1.00 0.00 N ATOM 757 CA GLN A 49 8.046 11.935 -1.717 1.00 0.00 C ATOM 758 C GLN A 49 7.179 10.799 -2.244 1.00 0.00 C ATOM 759 O GLN A 49 6.603 10.894 -3.327 1.00 0.00 O ATOM 760 CB GLN A 49 9.510 11.680 -2.078 1.00 0.00 C ATOM 761 CG GLN A 49 10.440 12.818 -1.692 1.00 0.00 C ATOM 762 CD GLN A 49 11.885 12.541 -2.059 1.00 0.00 C ATOM 763 OE1 GLN A 49 12.480 11.567 -1.595 1.00 0.00 O ATOM 764 NE2 GLN A 49 12.459 13.398 -2.895 1.00 0.00 N ATOM 0 H GLN A 49 8.754 11.948 0.258 1.00 0.00 H new ATOM 0 HA GLN A 49 7.722 12.865 -2.183 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.843 10.767 -1.585 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.586 11.508 -3.152 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.113 13.733 -2.186 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.369 12.992 -0.618 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.929 14.191 -3.255 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.430 13.263 -3.177 1.00 0.00 H new ATOM 773 N ALA A 50 7.093 9.724 -1.469 1.00 0.00 N ATOM 774 CA ALA A 50 6.301 8.567 -1.855 1.00 0.00 C ATOM 775 C ALA A 50 4.869 8.693 -1.348 1.00 0.00 C ATOM 776 O ALA A 50 4.624 9.255 -0.281 1.00 0.00 O ATOM 777 CB ALA A 50 6.938 7.293 -1.322 1.00 0.00 C ATOM 0 H ALA A 50 7.563 9.632 -0.569 1.00 0.00 H new ATOM 0 HA ALA A 50 6.273 8.520 -2.944 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.336 6.434 -1.618 1.00 0.00 H new ATOM 0 HB2 ALA A 50 7.943 7.190 -1.731 1.00 0.00 H new ATOM 0 HB3 ALA A 50 6.993 7.341 -0.234 1.00 0.00 H new ATOM 783 N ASP A 51 3.924 8.166 -2.120 1.00 0.00 N ATOM 784 CA ASP A 51 2.517 8.220 -1.748 1.00 0.00 C ATOM 785 C ASP A 51 2.131 7.001 -0.924 1.00 0.00 C ATOM 786 O ASP A 51 2.686 5.916 -1.101 1.00 0.00 O ATOM 787 CB ASP A 51 1.639 8.309 -2.996 1.00 0.00 C ATOM 788 CG ASP A 51 1.939 9.540 -3.829 1.00 0.00 C ATOM 789 OD1 ASP A 51 3.093 9.680 -4.287 1.00 0.00 O ATOM 790 OD2 ASP A 51 1.021 10.365 -4.021 1.00 0.00 O ATOM 0 H ASP A 51 4.108 7.697 -3.007 1.00 0.00 H new ATOM 0 HA ASP A 51 2.359 9.112 -1.142 1.00 0.00 H new ATOM 0 HB2 ASP A 51 1.787 7.417 -3.605 1.00 0.00 H new ATOM 0 HB3 ASP A 51 0.590 8.322 -2.699 1.00 0.00 H new ATOM 795 N PHE A 52 1.178 7.183 -0.019 1.00 0.00 N ATOM 796 CA PHE A 52 0.724 6.093 0.831 1.00 0.00 C ATOM 797 C PHE A 52 -0.784 5.908 0.725 1.00 0.00 C ATOM 798 O PHE A 52 -1.559 6.614 1.365 1.00 0.00 O ATOM 799 CB PHE A 52 1.128 6.345 2.283 1.00 0.00 C ATOM 800 CG PHE A 52 2.614 6.325 2.494 1.00 0.00 C ATOM 801 CD1 PHE A 52 3.427 7.256 1.870 1.00 0.00 C ATOM 802 CD2 PHE A 52 3.198 5.370 3.310 1.00 0.00 C ATOM 803 CE1 PHE A 52 4.796 7.237 2.057 1.00 0.00 C ATOM 804 CE2 PHE A 52 4.566 5.345 3.501 1.00 0.00 C ATOM 805 CZ PHE A 52 5.367 6.280 2.874 1.00 0.00 C ATOM 0 H PHE A 52 0.706 8.073 0.144 1.00 0.00 H new ATOM 0 HA PHE A 52 1.203 5.176 0.488 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.735 7.311 2.600 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.667 5.589 2.918 1.00 0.00 H new ATOM 0 HD1 PHE A 52 2.986 8.006 1.230 1.00 0.00 H new ATOM 0 HD2 PHE A 52 2.577 4.637 3.803 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.419 7.969 1.565 1.00 0.00 H new ATOM 0 HE2 PHE A 52 5.009 4.595 4.140 1.00 0.00 H new ATOM 0 HZ PHE A 52 6.437 6.263 3.022 1.00 0.00 H new ATOM 815 N TYR A 53 -1.186 4.945 -0.095 1.00 0.00 N ATOM 816 CA TYR A 53 -2.598 4.646 -0.299 1.00 0.00 C ATOM 817 C TYR A 53 -2.944 3.261 0.240 1.00 0.00 C ATOM 818 O TYR A 53 -2.096 2.578 0.815 1.00 0.00 O ATOM 819 CB TYR A 53 -2.945 4.721 -1.787 1.00 0.00 C ATOM 820 CG TYR A 53 -3.037 6.131 -2.328 1.00 0.00 C ATOM 821 CD1 TYR A 53 -4.082 6.967 -1.957 1.00 0.00 C ATOM 822 CD2 TYR A 53 -2.085 6.622 -3.213 1.00 0.00 C ATOM 823 CE1 TYR A 53 -4.175 8.252 -2.452 1.00 0.00 C ATOM 824 CE2 TYR A 53 -2.171 7.908 -3.710 1.00 0.00 C ATOM 825 CZ TYR A 53 -3.218 8.719 -3.328 1.00 0.00 C ATOM 826 OH TYR A 53 -3.308 9.999 -3.824 1.00 0.00 O ATOM 0 H TYR A 53 -0.551 4.355 -0.632 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.183 5.388 0.245 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.191 4.174 -2.353 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.897 4.216 -1.953 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.834 6.606 -1.271 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.265 5.988 -3.517 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.994 8.889 -2.154 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.421 8.276 -4.395 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.554 10.170 -4.427 1.00 0.00 H new ATOM 836 N LYS A 54 -4.190 2.851 0.039 1.00 0.00 N ATOM 837 CA LYS A 54 -4.651 1.544 0.492 1.00 0.00 C ATOM 838 C LYS A 54 -5.459 0.861 -0.606 1.00 0.00 C ATOM 839 O LYS A 54 -5.879 1.502 -1.569 1.00 0.00 O ATOM 840 CB LYS A 54 -5.511 1.675 1.747 1.00 0.00 C ATOM 841 CG LYS A 54 -4.856 2.446 2.879 1.00 0.00 C ATOM 842 CD LYS A 54 -5.891 2.925 3.889 1.00 0.00 C ATOM 843 CE LYS A 54 -5.267 3.192 5.247 1.00 0.00 C ATOM 844 NZ LYS A 54 -4.163 4.182 5.163 1.00 0.00 N ATOM 0 H LYS A 54 -4.902 3.406 -0.436 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.774 0.941 0.728 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -6.446 2.168 1.482 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -5.766 0.677 2.103 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.123 1.812 3.378 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.315 3.302 2.475 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -6.365 3.835 3.521 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.676 2.175 3.990 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.032 3.558 5.932 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.887 2.258 5.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -3.462 3.984 5.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -3.708 4.116 4.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.545 5.140 5.295 1.00 0.00 H new ATOM 858 N LEU A 55 -5.683 -0.439 -0.453 1.00 0.00 N ATOM 859 CA LEU A 55 -6.446 -1.199 -1.433 1.00 0.00 C ATOM 860 C LEU A 55 -7.521 -2.033 -0.742 1.00 0.00 C ATOM 861 O LEU A 55 -7.214 -2.918 0.057 1.00 0.00 O ATOM 862 CB LEU A 55 -5.514 -2.102 -2.250 1.00 0.00 C ATOM 863 CG LEU A 55 -6.128 -2.695 -3.520 1.00 0.00 C ATOM 864 CD1 LEU A 55 -7.256 -3.657 -3.177 1.00 0.00 C ATOM 865 CD2 LEU A 55 -6.631 -1.587 -4.433 1.00 0.00 C ATOM 0 H LEU A 55 -5.347 -0.987 0.339 1.00 0.00 H new ATOM 0 HA LEU A 55 -6.934 -0.498 -2.110 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.630 -1.528 -2.527 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -5.177 -2.920 -1.613 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.354 -3.254 -4.046 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -7.677 -4.066 -4.095 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.867 -4.469 -2.563 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.033 -3.126 -2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.065 -2.025 -5.332 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.389 -1.002 -3.912 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.800 -0.939 -4.710 1.00 0.00 H new ATOM 877 N ASP A 56 -8.783 -1.743 -1.050 1.00 0.00 N ATOM 878 CA ASP A 56 -9.900 -2.465 -0.451 1.00 0.00 C ATOM 879 C ASP A 56 -9.968 -3.896 -0.977 1.00 0.00 C ATOM 880 O ASP A 56 -10.156 -4.120 -2.173 1.00 0.00 O ATOM 881 CB ASP A 56 -11.220 -1.740 -0.732 1.00 0.00 C ATOM 882 CG ASP A 56 -12.380 -2.329 0.049 1.00 0.00 C ATOM 883 OD1 ASP A 56 -12.157 -3.297 0.807 1.00 0.00 O ATOM 884 OD2 ASP A 56 -13.511 -1.823 -0.098 1.00 0.00 O ATOM 0 H ASP A 56 -9.056 -1.014 -1.710 1.00 0.00 H new ATOM 0 HA ASP A 56 -9.739 -2.500 0.626 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -11.113 -0.685 -0.479 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.440 -1.791 -1.798 1.00 0.00 H new ATOM 889 N VAL A 57 -9.809 -4.861 -0.077 1.00 0.00 N ATOM 890 CA VAL A 57 -9.849 -6.273 -0.445 1.00 0.00 C ATOM 891 C VAL A 57 -11.271 -6.735 -0.780 1.00 0.00 C ATOM 892 O VAL A 57 -11.468 -7.846 -1.274 1.00 0.00 O ATOM 893 CB VAL A 57 -9.241 -7.153 0.677 1.00 0.00 C ATOM 894 CG1 VAL A 57 -9.599 -8.624 0.495 1.00 0.00 C ATOM 895 CG2 VAL A 57 -7.729 -6.983 0.694 1.00 0.00 C ATOM 0 H VAL A 57 -9.651 -4.691 0.916 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.245 -6.390 -1.345 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.660 -6.827 1.629 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -9.155 -9.209 1.300 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.683 -8.740 0.517 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -9.216 -8.976 -0.463 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.302 -7.602 1.483 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -7.318 -7.287 -0.268 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.482 -5.938 0.880 1.00 0.00 H new ATOM 905 N ASP A 58 -12.257 -5.878 -0.531 1.00 0.00 N ATOM 906 CA ASP A 58 -13.646 -6.213 -0.829 1.00 0.00 C ATOM 907 C ASP A 58 -14.090 -5.553 -2.130 1.00 0.00 C ATOM 908 O ASP A 58 -14.488 -6.228 -3.079 1.00 0.00 O ATOM 909 CB ASP A 58 -14.563 -5.773 0.312 1.00 0.00 C ATOM 910 CG ASP A 58 -16.025 -6.069 0.033 1.00 0.00 C ATOM 911 OD1 ASP A 58 -16.365 -7.255 -0.156 1.00 0.00 O ATOM 912 OD2 ASP A 58 -16.828 -5.113 0.004 1.00 0.00 O ATOM 0 H ASP A 58 -12.122 -4.952 -0.126 1.00 0.00 H new ATOM 0 HA ASP A 58 -13.715 -7.295 -0.940 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.263 -6.278 1.230 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.439 -4.703 0.481 1.00 0.00 H new ATOM 917 N GLU A 59 -14.022 -4.228 -2.158 1.00 0.00 N ATOM 918 CA GLU A 59 -14.419 -3.466 -3.333 1.00 0.00 C ATOM 919 C GLU A 59 -13.475 -3.738 -4.502 1.00 0.00 C ATOM 920 O GLU A 59 -13.892 -3.740 -5.660 1.00 0.00 O ATOM 921 CB GLU A 59 -14.442 -1.971 -3.010 1.00 0.00 C ATOM 922 CG GLU A 59 -15.052 -1.126 -4.116 1.00 0.00 C ATOM 923 CD GLU A 59 -16.527 -1.412 -4.323 1.00 0.00 C ATOM 924 OE1 GLU A 59 -17.075 -2.267 -3.596 1.00 0.00 O ATOM 925 OE2 GLU A 59 -17.135 -0.778 -5.211 1.00 0.00 O ATOM 0 H GLU A 59 -13.695 -3.658 -1.378 1.00 0.00 H new ATOM 0 HA GLU A 59 -15.421 -3.782 -3.622 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -15.005 -1.814 -2.090 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.423 -1.631 -2.823 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.921 -0.071 -3.876 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.516 -1.311 -5.047 1.00 0.00 H new ATOM 932 N LEU A 60 -12.201 -3.967 -4.191 1.00 0.00 N ATOM 933 CA LEU A 60 -11.200 -4.242 -5.218 1.00 0.00 C ATOM 934 C LEU A 60 -10.557 -5.608 -5.001 1.00 0.00 C ATOM 935 O LEU A 60 -9.349 -5.772 -5.176 1.00 0.00 O ATOM 936 CB LEU A 60 -10.117 -3.160 -5.227 1.00 0.00 C ATOM 937 CG LEU A 60 -10.601 -1.756 -5.586 1.00 0.00 C ATOM 938 CD1 LEU A 60 -11.591 -1.255 -4.549 1.00 0.00 C ATOM 939 CD2 LEU A 60 -9.423 -0.801 -5.708 1.00 0.00 C ATOM 0 H LEU A 60 -11.838 -3.968 -3.238 1.00 0.00 H new ATOM 0 HA LEU A 60 -11.709 -4.241 -6.182 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.653 -3.126 -4.242 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -9.341 -3.451 -5.935 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.107 -1.801 -6.551 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -11.926 -0.254 -4.820 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.449 -1.927 -4.511 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -11.110 -1.225 -3.571 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.786 0.194 -5.964 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.889 -0.759 -4.759 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.749 -1.153 -6.489 1.00 0.00 H new ATOM 951 N GLY A 61 -11.372 -6.588 -4.626 1.00 0.00 N ATOM 952 CA GLY A 61 -10.860 -7.928 -4.399 1.00 0.00 C ATOM 953 C GLY A 61 -10.141 -8.486 -5.613 1.00 0.00 C ATOM 954 O GLY A 61 -9.337 -9.410 -5.496 1.00 0.00 O ATOM 0 H GLY A 61 -12.375 -6.480 -4.475 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.176 -7.914 -3.550 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -11.685 -8.589 -4.133 1.00 0.00 H new ATOM 958 N ASP A 62 -10.433 -7.923 -6.782 1.00 0.00 N ATOM 959 CA ASP A 62 -9.815 -8.368 -8.023 1.00 0.00 C ATOM 960 C ASP A 62 -8.304 -8.156 -8.002 1.00 0.00 C ATOM 961 O ASP A 62 -7.543 -9.015 -8.446 1.00 0.00 O ATOM 962 CB ASP A 62 -10.424 -7.634 -9.208 1.00 0.00 C ATOM 963 CG ASP A 62 -11.915 -7.872 -9.336 1.00 0.00 C ATOM 964 OD1 ASP A 62 -12.654 -7.528 -8.388 1.00 0.00 O ATOM 965 OD2 ASP A 62 -12.345 -8.402 -10.381 1.00 0.00 O ATOM 0 H ASP A 62 -11.096 -7.156 -6.894 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.006 -9.436 -8.123 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -10.238 -6.565 -9.103 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.928 -7.956 -10.124 1.00 0.00 H new ATOM 970 N VAL A 63 -7.873 -7.006 -7.490 1.00 0.00 N ATOM 971 CA VAL A 63 -6.450 -6.693 -7.425 1.00 0.00 C ATOM 972 C VAL A 63 -5.751 -7.584 -6.398 1.00 0.00 C ATOM 973 O VAL A 63 -4.711 -8.177 -6.679 1.00 0.00 O ATOM 974 CB VAL A 63 -6.207 -5.211 -7.081 1.00 0.00 C ATOM 975 CG1 VAL A 63 -4.768 -4.819 -7.384 1.00 0.00 C ATOM 976 CG2 VAL A 63 -7.177 -4.316 -7.842 1.00 0.00 C ATOM 0 H VAL A 63 -8.485 -6.280 -7.117 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.031 -6.884 -8.413 1.00 0.00 H new ATOM 0 HB VAL A 63 -6.382 -5.076 -6.014 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -4.617 -3.769 -7.134 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.091 -5.434 -6.791 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.564 -4.973 -8.444 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.989 -3.274 -7.585 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -7.037 -4.456 -8.914 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.200 -4.577 -7.573 1.00 0.00 H new ATOM 986 N ALA A 64 -6.341 -7.707 -5.211 1.00 0.00 N ATOM 987 CA ALA A 64 -5.780 -8.565 -4.167 1.00 0.00 C ATOM 988 C ALA A 64 -5.559 -9.972 -4.716 1.00 0.00 C ATOM 989 O ALA A 64 -4.705 -10.712 -4.234 1.00 0.00 O ATOM 990 CB ALA A 64 -6.708 -8.606 -2.964 1.00 0.00 C ATOM 0 H ALA A 64 -7.202 -7.227 -4.948 1.00 0.00 H new ATOM 0 HA ALA A 64 -4.821 -8.156 -3.849 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.278 -9.248 -2.195 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.834 -7.599 -2.567 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -7.678 -9.001 -3.266 1.00 0.00 H new ATOM 996 N GLN A 65 -6.342 -10.327 -5.734 1.00 0.00 N ATOM 997 CA GLN A 65 -6.243 -11.638 -6.363 1.00 0.00 C ATOM 998 C GLN A 65 -5.255 -11.625 -7.531 1.00 0.00 C ATOM 999 O GLN A 65 -4.481 -12.566 -7.704 1.00 0.00 O ATOM 1000 CB GLN A 65 -7.618 -12.096 -6.850 1.00 0.00 C ATOM 1001 CG GLN A 65 -7.605 -13.464 -7.512 1.00 0.00 C ATOM 1002 CD GLN A 65 -8.976 -13.893 -7.996 1.00 0.00 C ATOM 1003 OE1 GLN A 65 -9.592 -13.223 -8.825 1.00 0.00 O ATOM 1004 NE2 GLN A 65 -9.463 -15.015 -7.477 1.00 0.00 N ATOM 0 H GLN A 65 -7.054 -9.720 -6.140 1.00 0.00 H new ATOM 0 HA GLN A 65 -5.873 -12.338 -5.614 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.305 -12.118 -6.004 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.006 -11.363 -7.557 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -6.915 -13.448 -8.356 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -7.227 -14.202 -6.804 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -8.918 -15.539 -6.792 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -10.382 -15.352 -7.763 1.00 0.00 H new ATOM 1013 N LYS A 66 -5.293 -10.564 -8.339 1.00 0.00 N ATOM 1014 CA LYS A 66 -4.401 -10.457 -9.495 1.00 0.00 C ATOM 1015 C LYS A 66 -2.941 -10.585 -9.064 1.00 0.00 C ATOM 1016 O LYS A 66 -2.176 -11.352 -9.647 1.00 0.00 O ATOM 1017 CB LYS A 66 -4.624 -9.134 -10.243 1.00 0.00 C ATOM 1018 CG LYS A 66 -3.974 -7.924 -9.588 1.00 0.00 C ATOM 1019 CD LYS A 66 -4.250 -6.651 -10.371 1.00 0.00 C ATOM 1020 CE LYS A 66 -3.685 -6.728 -11.779 1.00 0.00 C ATOM 1021 NZ LYS A 66 -2.211 -6.937 -11.776 1.00 0.00 N ATOM 0 H LYS A 66 -5.926 -9.773 -8.216 1.00 0.00 H new ATOM 0 HA LYS A 66 -4.635 -11.276 -10.175 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -4.237 -9.234 -11.257 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -5.696 -8.954 -10.327 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.349 -7.815 -8.570 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.898 -8.082 -9.516 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.325 -6.478 -10.419 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.813 -5.800 -9.849 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.166 -7.544 -12.319 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -3.920 -5.809 -12.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -1.836 -6.782 -12.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -1.767 -6.266 -11.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -1.999 -7.909 -11.475 1.00 0.00 H new ATOM 1035 N ASN A 67 -2.567 -9.830 -8.035 1.00 0.00 N ATOM 1036 CA ASN A 67 -1.215 -9.856 -7.517 1.00 0.00 C ATOM 1037 C ASN A 67 -0.998 -11.059 -6.598 1.00 0.00 C ATOM 1038 O ASN A 67 0.087 -11.238 -6.045 1.00 0.00 O ATOM 1039 CB ASN A 67 -0.946 -8.562 -6.759 1.00 0.00 C ATOM 1040 CG ASN A 67 -0.993 -7.344 -7.658 1.00 0.00 C ATOM 1041 OD1 ASN A 67 -0.237 -7.240 -8.624 1.00 0.00 O ATOM 1042 ND2 ASN A 67 -1.884 -6.410 -7.342 1.00 0.00 N ATOM 0 H ASN A 67 -3.192 -9.190 -7.544 1.00 0.00 H new ATOM 0 HA ASN A 67 -0.521 -9.947 -8.353 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.682 -8.451 -5.963 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.032 -8.620 -6.282 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -1.961 -5.566 -7.909 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -2.491 -6.537 -6.532 1.00 0.00 H new ATOM 1049 N GLU A 68 -2.037 -11.879 -6.436 1.00 0.00 N ATOM 1050 CA GLU A 68 -1.960 -13.059 -5.585 1.00 0.00 C ATOM 1051 C GLU A 68 -1.757 -12.665 -4.126 1.00 0.00 C ATOM 1052 O GLU A 68 -1.010 -13.320 -3.397 1.00 0.00 O ATOM 1053 CB GLU A 68 -0.825 -13.976 -6.044 1.00 0.00 C ATOM 1054 CG GLU A 68 -0.968 -14.448 -7.482 1.00 0.00 C ATOM 1055 CD GLU A 68 0.173 -15.346 -7.916 1.00 0.00 C ATOM 1056 OE1 GLU A 68 1.335 -14.888 -7.887 1.00 0.00 O ATOM 1057 OE2 GLU A 68 -0.095 -16.510 -8.286 1.00 0.00 O ATOM 0 H GLU A 68 -2.943 -11.744 -6.886 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.904 -13.597 -5.668 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.123 -13.449 -5.936 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.783 -14.845 -5.388 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.910 -14.985 -7.592 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.015 -13.582 -8.142 1.00 0.00 H new ATOM 1064 N VAL A 69 -2.423 -11.593 -3.701 1.00 0.00 N ATOM 1065 CA VAL A 69 -2.305 -11.126 -2.329 1.00 0.00 C ATOM 1066 C VAL A 69 -3.580 -11.412 -1.542 1.00 0.00 C ATOM 1067 O VAL A 69 -4.521 -10.619 -1.554 1.00 0.00 O ATOM 1068 CB VAL A 69 -2.008 -9.619 -2.280 1.00 0.00 C ATOM 1069 CG1 VAL A 69 -1.813 -9.158 -0.849 1.00 0.00 C ATOM 1070 CG2 VAL A 69 -0.788 -9.287 -3.126 1.00 0.00 C ATOM 0 H VAL A 69 -3.046 -11.037 -4.287 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.475 -11.667 -1.875 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.865 -9.087 -2.693 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.604 -8.088 -0.837 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.719 -9.357 -0.276 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.976 -9.696 -0.404 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.593 -8.216 -3.079 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.077 -9.830 -2.746 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.973 -9.577 -4.160 1.00 0.00 H new ATOM 1080 N SER A 70 -3.604 -12.552 -0.857 1.00 0.00 N ATOM 1081 CA SER A 70 -4.764 -12.940 -0.062 1.00 0.00 C ATOM 1082 C SER A 70 -4.435 -12.939 1.429 1.00 0.00 C ATOM 1083 O SER A 70 -5.119 -13.586 2.223 1.00 0.00 O ATOM 1084 CB SER A 70 -5.258 -14.325 -0.487 1.00 0.00 C ATOM 1085 OG SER A 70 -4.248 -15.302 -0.305 1.00 0.00 O ATOM 0 H SER A 70 -2.835 -13.222 -0.837 1.00 0.00 H new ATOM 0 HA SER A 70 -5.553 -12.208 -0.238 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.139 -14.595 0.095 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.562 -14.301 -1.534 1.00 0.00 H new ATOM 0 HG SER A 70 -4.587 -16.179 -0.582 1.00 0.00 H new ATOM 1091 N ALA A 71 -3.392 -12.205 1.806 1.00 0.00 N ATOM 1092 CA ALA A 71 -2.985 -12.121 3.203 1.00 0.00 C ATOM 1093 C ALA A 71 -3.901 -11.172 3.973 1.00 0.00 C ATOM 1094 O ALA A 71 -5.053 -10.972 3.589 1.00 0.00 O ATOM 1095 CB ALA A 71 -1.534 -11.679 3.301 1.00 0.00 C ATOM 0 H ALA A 71 -2.815 -11.661 1.164 1.00 0.00 H new ATOM 0 HA ALA A 71 -3.072 -13.109 3.654 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -1.242 -11.620 4.349 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -0.898 -12.400 2.787 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -1.420 -10.699 2.837 1.00 0.00 H new ATOM 1101 N MET A 72 -3.397 -10.592 5.062 1.00 0.00 N ATOM 1102 CA MET A 72 -4.203 -9.681 5.863 1.00 0.00 C ATOM 1103 C MET A 72 -3.385 -8.965 6.941 1.00 0.00 C ATOM 1104 O MET A 72 -3.305 -9.428 8.077 1.00 0.00 O ATOM 1105 CB MET A 72 -5.368 -10.444 6.508 1.00 0.00 C ATOM 1106 CG MET A 72 -5.075 -11.911 6.810 1.00 0.00 C ATOM 1107 SD MET A 72 -3.667 -12.153 7.908 1.00 0.00 S ATOM 1108 CE MET A 72 -3.641 -13.939 8.037 1.00 0.00 C ATOM 0 H MET A 72 -2.447 -10.736 5.404 1.00 0.00 H new ATOM 0 HA MET A 72 -4.588 -8.914 5.191 1.00 0.00 H new ATOM 0 HB2 MET A 72 -5.644 -9.943 7.436 1.00 0.00 H new ATOM 0 HB3 MET A 72 -6.233 -10.388 5.847 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.958 -12.364 7.260 1.00 0.00 H new ATOM 0 HG3 MET A 72 -4.889 -12.436 5.873 1.00 0.00 H new ATOM 0 HE1 MET A 72 -2.821 -14.245 8.687 1.00 0.00 H new ATOM 0 HE2 MET A 72 -4.585 -14.287 8.456 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.501 -14.373 7.047 1.00 0.00 H new ATOM 1118 N PRO A 73 -2.759 -7.816 6.610 1.00 0.00 N ATOM 1119 CA PRO A 73 -2.800 -7.191 5.286 1.00 0.00 C ATOM 1120 C PRO A 73 -1.587 -7.553 4.425 1.00 0.00 C ATOM 1121 O PRO A 73 -0.936 -8.574 4.650 1.00 0.00 O ATOM 1122 CB PRO A 73 -2.739 -5.724 5.676 1.00 0.00 C ATOM 1123 CG PRO A 73 -1.726 -5.723 6.764 1.00 0.00 C ATOM 1124 CD PRO A 73 -1.943 -7.005 7.535 1.00 0.00 C ATOM 0 HA PRO A 73 -3.660 -7.493 4.688 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.437 -5.094 4.840 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.705 -5.355 6.020 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.716 -5.679 6.357 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.848 -4.854 7.410 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.000 -7.495 7.776 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.460 -6.826 8.478 1.00 0.00 H new ATOM 1132 N THR A 74 -1.280 -6.696 3.451 1.00 0.00 N ATOM 1133 CA THR A 74 -0.137 -6.902 2.565 1.00 0.00 C ATOM 1134 C THR A 74 0.359 -5.569 2.016 1.00 0.00 C ATOM 1135 O THR A 74 -0.427 -4.644 1.815 1.00 0.00 O ATOM 1136 CB THR A 74 -0.506 -7.820 1.407 1.00 0.00 C ATOM 1137 OG1 THR A 74 -0.968 -9.071 1.882 1.00 0.00 O ATOM 1138 CG2 THR A 74 0.649 -8.079 0.462 1.00 0.00 C ATOM 0 H THR A 74 -1.812 -5.848 3.256 1.00 0.00 H new ATOM 0 HA THR A 74 0.656 -7.370 3.148 1.00 0.00 H new ATOM 0 HB THR A 74 -1.291 -7.297 0.861 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.939 -9.034 2.010 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.321 -8.740 -0.341 1.00 0.00 H new ATOM 0 HG22 THR A 74 0.991 -7.135 0.038 1.00 0.00 H new ATOM 0 HG23 THR A 74 1.467 -8.549 1.008 1.00 0.00 H new ATOM 1146 N LEU A 75 1.661 -5.471 1.774 1.00 0.00 N ATOM 1147 CA LEU A 75 2.245 -4.241 1.254 1.00 0.00 C ATOM 1148 C LEU A 75 2.710 -4.406 -0.189 1.00 0.00 C ATOM 1149 O LEU A 75 3.543 -5.261 -0.492 1.00 0.00 O ATOM 1150 CB LEU A 75 3.423 -3.812 2.125 1.00 0.00 C ATOM 1151 CG LEU A 75 3.091 -3.608 3.601 1.00 0.00 C ATOM 1152 CD1 LEU A 75 4.345 -3.246 4.374 1.00 0.00 C ATOM 1153 CD2 LEU A 75 2.029 -2.531 3.766 1.00 0.00 C ATOM 0 H LEU A 75 2.330 -6.225 1.929 1.00 0.00 H new ATOM 0 HA LEU A 75 1.472 -3.473 1.276 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.208 -4.564 2.045 1.00 0.00 H new ATOM 0 HB3 LEU A 75 3.830 -2.882 1.727 1.00 0.00 H new ATOM 0 HG LEU A 75 2.694 -4.541 4.001 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.096 -3.103 5.425 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.075 -4.050 4.280 1.00 0.00 H new ATOM 0 HD13 LEU A 75 4.767 -2.325 3.972 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.805 -2.400 4.825 1.00 0.00 H new ATOM 0 HD22 LEU A 75 2.397 -1.591 3.353 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.123 -2.829 3.238 1.00 0.00 H new ATOM 1165 N LEU A 76 2.174 -3.570 -1.071 1.00 0.00 N ATOM 1166 CA LEU A 76 2.540 -3.605 -2.482 1.00 0.00 C ATOM 1167 C LEU A 76 3.202 -2.293 -2.896 1.00 0.00 C ATOM 1168 O LEU A 76 2.677 -1.211 -2.634 1.00 0.00 O ATOM 1169 CB LEU A 76 1.304 -3.879 -3.347 1.00 0.00 C ATOM 1170 CG LEU A 76 0.713 -5.286 -3.205 1.00 0.00 C ATOM 1171 CD1 LEU A 76 -0.327 -5.547 -4.285 1.00 0.00 C ATOM 1172 CD2 LEU A 76 1.812 -6.339 -3.257 1.00 0.00 C ATOM 0 H LEU A 76 1.483 -2.858 -0.833 1.00 0.00 H new ATOM 0 HA LEU A 76 3.255 -4.413 -2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.534 -3.150 -3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.567 -3.715 -4.392 1.00 0.00 H new ATOM 0 HG LEU A 76 0.221 -5.350 -2.234 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.733 -6.551 -4.164 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.132 -4.818 -4.198 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.138 -5.459 -5.267 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.371 -7.331 -3.154 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.336 -6.272 -4.211 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.517 -6.170 -2.443 1.00 0.00 H new ATOM 1184 N LEU A 77 4.365 -2.397 -3.535 1.00 0.00 N ATOM 1185 CA LEU A 77 5.107 -1.216 -3.973 1.00 0.00 C ATOM 1186 C LEU A 77 5.081 -1.086 -5.492 1.00 0.00 C ATOM 1187 O LEU A 77 5.270 -2.065 -6.215 1.00 0.00 O ATOM 1188 CB LEU A 77 6.554 -1.279 -3.475 1.00 0.00 C ATOM 1189 CG LEU A 77 6.720 -1.250 -1.954 1.00 0.00 C ATOM 1190 CD1 LEU A 77 6.079 -2.474 -1.320 1.00 0.00 C ATOM 1191 CD2 LEU A 77 8.193 -1.166 -1.583 1.00 0.00 C ATOM 0 H LEU A 77 4.814 -3.285 -3.761 1.00 0.00 H new ATOM 0 HA LEU A 77 4.624 -0.337 -3.546 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.014 -2.190 -3.858 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.105 -0.441 -3.901 1.00 0.00 H new ATOM 0 HG LEU A 77 6.215 -0.364 -1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.208 -2.434 -0.238 1.00 0.00 H new ATOM 0 HD12 LEU A 77 5.015 -2.492 -1.558 1.00 0.00 H new ATOM 0 HD13 LEU A 77 6.553 -3.375 -1.709 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.294 -1.146 -0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.718 -2.034 -1.981 1.00 0.00 H new ATOM 0 HD23 LEU A 77 8.623 -0.257 -2.004 1.00 0.00 H new ATOM 1203 N PHE A 78 4.835 0.134 -5.965 1.00 0.00 N ATOM 1204 CA PHE A 78 4.765 0.410 -7.397 1.00 0.00 C ATOM 1205 C PHE A 78 5.514 1.697 -7.744 1.00 0.00 C ATOM 1206 O PHE A 78 5.218 2.757 -7.192 1.00 0.00 O ATOM 1207 CB PHE A 78 3.300 0.539 -7.813 1.00 0.00 C ATOM 1208 CG PHE A 78 2.461 -0.640 -7.411 1.00 0.00 C ATOM 1209 CD1 PHE A 78 2.612 -1.867 -8.039 1.00 0.00 C ATOM 1210 CD2 PHE A 78 1.530 -0.525 -6.390 1.00 0.00 C ATOM 1211 CE1 PHE A 78 1.846 -2.955 -7.658 1.00 0.00 C ATOM 1212 CE2 PHE A 78 0.762 -1.610 -6.008 1.00 0.00 C ATOM 1213 CZ PHE A 78 0.920 -2.825 -6.641 1.00 0.00 C ATOM 0 H PHE A 78 4.680 0.950 -5.373 1.00 0.00 H new ATOM 0 HA PHE A 78 5.235 -0.413 -7.935 1.00 0.00 H new ATOM 0 HB2 PHE A 78 2.882 1.442 -7.368 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.246 0.662 -8.895 1.00 0.00 H new ATOM 0 HD1 PHE A 78 3.335 -1.975 -8.834 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.403 0.422 -5.887 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.972 -3.905 -8.156 1.00 0.00 H new ATOM 0 HE2 PHE A 78 0.038 -1.506 -5.213 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.321 -3.673 -6.342 1.00 0.00 H new ATOM 1223 N LYS A 79 6.476 1.610 -8.664 1.00 0.00 N ATOM 1224 CA LYS A 79 7.241 2.791 -9.068 1.00 0.00 C ATOM 1225 C LYS A 79 6.932 3.189 -10.511 1.00 0.00 C ATOM 1226 O LYS A 79 7.032 2.370 -11.423 1.00 0.00 O ATOM 1227 CB LYS A 79 8.746 2.549 -8.903 1.00 0.00 C ATOM 1228 CG LYS A 79 9.239 2.660 -7.465 1.00 0.00 C ATOM 1229 CD LYS A 79 10.734 2.406 -7.368 1.00 0.00 C ATOM 1230 CE LYS A 79 11.526 3.415 -8.184 1.00 0.00 C ATOM 1231 NZ LYS A 79 11.268 4.813 -7.740 1.00 0.00 N ATOM 0 H LYS A 79 6.742 0.747 -9.138 1.00 0.00 H new ATOM 0 HA LYS A 79 6.942 3.611 -8.415 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.988 1.556 -9.283 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.288 3.267 -9.518 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.012 3.653 -7.077 1.00 0.00 H new ATOM 0 HG3 LYS A 79 8.706 1.944 -6.840 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.045 2.456 -6.325 1.00 0.00 H new ATOM 0 HD3 LYS A 79 10.956 1.398 -7.719 1.00 0.00 H new ATOM 0 HE2 LYS A 79 12.590 3.197 -8.097 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.265 3.315 -9.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.967 5.449 -8.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 10.312 5.099 -8.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.345 4.868 -6.704 1.00 0.00 H new ATOM 1245 N ASN A 80 6.564 4.456 -10.712 1.00 0.00 N ATOM 1246 CA ASN A 80 6.247 4.966 -12.047 1.00 0.00 C ATOM 1247 C ASN A 80 5.250 4.062 -12.774 1.00 0.00 C ATOM 1248 O ASN A 80 5.569 3.472 -13.802 1.00 0.00 O ATOM 1249 CB ASN A 80 7.528 5.100 -12.875 1.00 0.00 C ATOM 1250 CG ASN A 80 8.527 6.049 -12.242 1.00 0.00 C ATOM 1251 OD1 ASN A 80 8.982 5.831 -11.119 1.00 0.00 O ATOM 1252 ND2 ASN A 80 8.873 7.110 -12.962 1.00 0.00 N ATOM 0 H ASN A 80 6.478 5.148 -9.967 1.00 0.00 H new ATOM 0 HA ASN A 80 5.785 5.946 -11.927 1.00 0.00 H new ATOM 0 HB2 ASN A 80 7.987 4.118 -12.992 1.00 0.00 H new ATOM 0 HB3 ASN A 80 7.276 5.455 -13.874 1.00 0.00 H new ATOM 0 HD21 ASN A 80 9.541 7.784 -12.588 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.471 7.251 -13.889 1.00 0.00 H new ATOM 1259 N GLY A 81 4.037 3.973 -12.235 1.00 0.00 N ATOM 1260 CA GLY A 81 2.999 3.155 -12.839 1.00 0.00 C ATOM 1261 C GLY A 81 3.453 1.741 -13.149 1.00 0.00 C ATOM 1262 O GLY A 81 2.897 1.081 -14.027 1.00 0.00 O ATOM 0 H GLY A 81 3.753 4.457 -11.383 1.00 0.00 H new ATOM 0 HA2 GLY A 81 2.141 3.115 -12.168 1.00 0.00 H new ATOM 0 HA3 GLY A 81 2.661 3.631 -13.760 1.00 0.00 H new ATOM 1266 N LYS A 82 4.457 1.273 -12.420 1.00 0.00 N ATOM 1267 CA LYS A 82 4.981 -0.074 -12.609 1.00 0.00 C ATOM 1268 C LYS A 82 5.042 -0.799 -11.266 1.00 0.00 C ATOM 1269 O LYS A 82 4.320 -0.451 -10.335 1.00 0.00 O ATOM 1270 CB LYS A 82 6.366 -0.015 -13.271 1.00 0.00 C ATOM 1271 CG LYS A 82 6.351 0.608 -14.659 1.00 0.00 C ATOM 1272 CD LYS A 82 7.750 0.689 -15.247 1.00 0.00 C ATOM 1273 CE LYS A 82 7.736 1.322 -16.630 1.00 0.00 C ATOM 1274 NZ LYS A 82 7.199 2.711 -16.599 1.00 0.00 N ATOM 0 H LYS A 82 4.927 1.808 -11.690 1.00 0.00 H new ATOM 0 HA LYS A 82 4.316 -0.631 -13.269 1.00 0.00 H new ATOM 0 HB2 LYS A 82 7.041 0.556 -12.633 1.00 0.00 H new ATOM 0 HB3 LYS A 82 6.770 -1.025 -13.339 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.712 0.019 -15.317 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.919 1.607 -14.606 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.391 1.271 -14.585 1.00 0.00 H new ATOM 0 HD3 LYS A 82 8.179 -0.311 -15.307 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.748 1.333 -17.035 1.00 0.00 H new ATOM 0 HE3 LYS A 82 7.131 0.713 -17.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.421 3.189 -17.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.168 2.682 -16.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 7.633 3.233 -15.811 1.00 0.00 H new ATOM 1288 N GLU A 83 5.893 -1.804 -11.172 1.00 0.00 N ATOM 1289 CA GLU A 83 6.038 -2.574 -9.947 1.00 0.00 C ATOM 1290 C GLU A 83 7.378 -2.250 -9.291 1.00 0.00 C ATOM 1291 O GLU A 83 8.175 -1.495 -9.848 1.00 0.00 O ATOM 1292 CB GLU A 83 5.932 -4.070 -10.279 1.00 0.00 C ATOM 1293 CG GLU A 83 6.014 -4.996 -9.076 1.00 0.00 C ATOM 1294 CD GLU A 83 5.699 -6.437 -9.431 1.00 0.00 C ATOM 1295 OE1 GLU A 83 4.577 -6.696 -9.915 1.00 0.00 O ATOM 1296 OE2 GLU A 83 6.572 -7.304 -9.224 1.00 0.00 O ATOM 0 H GLU A 83 6.499 -2.109 -11.934 1.00 0.00 H new ATOM 0 HA GLU A 83 5.246 -2.315 -9.244 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.988 -4.248 -10.793 1.00 0.00 H new ATOM 0 HB3 GLU A 83 6.729 -4.331 -10.976 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.014 -4.941 -8.647 1.00 0.00 H new ATOM 0 HG3 GLU A 83 5.319 -4.653 -8.310 1.00 0.00 H new ATOM 1303 N VAL A 84 7.615 -2.793 -8.100 1.00 0.00 N ATOM 1304 CA VAL A 84 8.862 -2.544 -7.385 1.00 0.00 C ATOM 1305 C VAL A 84 9.215 -3.724 -6.494 1.00 0.00 C ATOM 1306 O VAL A 84 10.302 -4.294 -6.598 1.00 0.00 O ATOM 1307 CB VAL A 84 8.792 -1.287 -6.520 1.00 0.00 C ATOM 1308 CG1 VAL A 84 10.180 -0.696 -6.324 1.00 0.00 C ATOM 1309 CG2 VAL A 84 7.837 -0.263 -7.106 1.00 0.00 C ATOM 0 H VAL A 84 6.962 -3.406 -7.612 1.00 0.00 H new ATOM 0 HA VAL A 84 9.630 -2.402 -8.146 1.00 0.00 H new ATOM 0 HB VAL A 84 8.402 -1.572 -5.543 1.00 0.00 H new ATOM 0 HG11 VAL A 84 10.110 0.199 -5.705 1.00 0.00 H new ATOM 0 HG12 VAL A 84 10.821 -1.428 -5.833 1.00 0.00 H new ATOM 0 HG13 VAL A 84 10.604 -0.435 -7.293 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.811 0.619 -6.466 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.175 0.022 -8.102 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.838 -0.693 -7.171 1.00 0.00 H new ATOM 1319 N ALA A 85 8.287 -4.086 -5.616 1.00 0.00 N ATOM 1320 CA ALA A 85 8.492 -5.199 -4.700 1.00 0.00 C ATOM 1321 C ALA A 85 7.197 -5.553 -3.978 1.00 0.00 C ATOM 1322 O ALA A 85 6.114 -5.137 -4.389 1.00 0.00 O ATOM 1323 CB ALA A 85 9.587 -4.861 -3.699 1.00 0.00 C ATOM 0 H ALA A 85 7.383 -3.623 -5.520 1.00 0.00 H new ATOM 0 HA ALA A 85 8.804 -6.068 -5.279 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.731 -5.701 -3.020 1.00 0.00 H new ATOM 0 HB2 ALA A 85 10.517 -4.661 -4.231 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.298 -3.978 -3.128 1.00 0.00 H new ATOM 1329 N LYS A 86 7.313 -6.317 -2.899 1.00 0.00 N ATOM 1330 CA LYS A 86 6.149 -6.720 -2.122 1.00 0.00 C ATOM 1331 C LYS A 86 6.567 -7.251 -0.755 1.00 0.00 C ATOM 1332 O LYS A 86 7.394 -8.157 -0.652 1.00 0.00 O ATOM 1333 CB LYS A 86 5.332 -7.774 -2.873 1.00 0.00 C ATOM 1334 CG LYS A 86 6.043 -9.106 -3.041 1.00 0.00 C ATOM 1335 CD LYS A 86 7.273 -8.989 -3.928 1.00 0.00 C ATOM 1336 CE LYS A 86 7.883 -10.350 -4.214 1.00 0.00 C ATOM 1337 NZ LYS A 86 9.089 -10.248 -5.082 1.00 0.00 N ATOM 0 H LYS A 86 8.201 -6.670 -2.543 1.00 0.00 H new ATOM 0 HA LYS A 86 5.524 -5.839 -1.974 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.395 -7.939 -2.341 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.075 -7.385 -3.858 1.00 0.00 H new ATOM 0 HG2 LYS A 86 6.337 -9.486 -2.062 1.00 0.00 H new ATOM 0 HG3 LYS A 86 5.354 -9.833 -3.471 1.00 0.00 H new ATOM 0 HD2 LYS A 86 7.002 -8.506 -4.867 1.00 0.00 H new ATOM 0 HD3 LYS A 86 8.013 -8.352 -3.444 1.00 0.00 H new ATOM 0 HE2 LYS A 86 8.152 -10.832 -3.274 1.00 0.00 H new ATOM 0 HE3 LYS A 86 7.141 -10.986 -4.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 9.475 -11.198 -5.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 8.828 -9.812 -5.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 9.808 -9.662 -4.610 1.00 0.00 H new ATOM 1351 N VAL A 87 5.991 -6.674 0.294 1.00 0.00 N ATOM 1352 CA VAL A 87 6.301 -7.083 1.657 1.00 0.00 C ATOM 1353 C VAL A 87 5.027 -7.293 2.465 1.00 0.00 C ATOM 1354 O VAL A 87 4.617 -6.426 3.237 1.00 0.00 O ATOM 1355 CB VAL A 87 7.188 -6.042 2.368 1.00 0.00 C ATOM 1356 CG1 VAL A 87 7.555 -6.512 3.768 1.00 0.00 C ATOM 1357 CG2 VAL A 87 8.439 -5.757 1.549 1.00 0.00 C ATOM 0 H VAL A 87 5.306 -5.921 0.225 1.00 0.00 H new ATOM 0 HA VAL A 87 6.846 -8.025 1.593 1.00 0.00 H new ATOM 0 HB VAL A 87 6.621 -5.116 2.460 1.00 0.00 H new ATOM 0 HG11 VAL A 87 8.181 -5.762 4.251 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.647 -6.658 4.353 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.100 -7.454 3.704 1.00 0.00 H new ATOM 0 HG21 VAL A 87 9.053 -5.020 2.067 1.00 0.00 H new ATOM 0 HG22 VAL A 87 9.008 -6.678 1.422 1.00 0.00 H new ATOM 0 HG23 VAL A 87 8.153 -5.369 0.571 1.00 0.00 H new ATOM 1367 N VAL A 88 4.404 -8.451 2.283 1.00 0.00 N ATOM 1368 CA VAL A 88 3.175 -8.779 2.993 1.00 0.00 C ATOM 1369 C VAL A 88 3.455 -9.074 4.466 1.00 0.00 C ATOM 1370 O VAL A 88 3.868 -10.179 4.820 1.00 0.00 O ATOM 1371 CB VAL A 88 2.468 -9.993 2.353 1.00 0.00 C ATOM 1372 CG1 VAL A 88 3.388 -11.204 2.344 1.00 0.00 C ATOM 1373 CG2 VAL A 88 1.173 -10.308 3.083 1.00 0.00 C ATOM 0 H VAL A 88 4.731 -9.180 1.648 1.00 0.00 H new ATOM 0 HA VAL A 88 2.520 -7.911 2.922 1.00 0.00 H new ATOM 0 HB VAL A 88 2.223 -9.741 1.321 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.872 -12.050 1.889 1.00 0.00 H new ATOM 0 HG12 VAL A 88 4.285 -10.975 1.769 1.00 0.00 H new ATOM 0 HG13 VAL A 88 3.667 -11.457 3.367 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.691 -11.167 2.615 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.390 -10.537 4.126 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.508 -9.446 3.032 1.00 0.00 H new ATOM 1383 N GLY A 89 3.223 -8.081 5.322 1.00 0.00 N ATOM 1384 CA GLY A 89 3.457 -8.266 6.744 1.00 0.00 C ATOM 1385 C GLY A 89 3.644 -6.959 7.495 1.00 0.00 C ATOM 1386 O GLY A 89 3.438 -6.902 8.707 1.00 0.00 O ATOM 0 H GLY A 89 2.879 -7.158 5.058 1.00 0.00 H new ATOM 0 HA2 GLY A 89 2.616 -8.809 7.176 1.00 0.00 H new ATOM 0 HA3 GLY A 89 4.342 -8.887 6.882 1.00 0.00 H new ATOM 1390 N ALA A 90 4.043 -5.909 6.782 1.00 0.00 N ATOM 1391 CA ALA A 90 4.261 -4.602 7.401 1.00 0.00 C ATOM 1392 C ALA A 90 5.169 -4.717 8.622 1.00 0.00 C ATOM 1393 O ALA A 90 4.941 -4.067 9.642 1.00 0.00 O ATOM 1394 CB ALA A 90 2.931 -3.972 7.787 1.00 0.00 C ATOM 0 H ALA A 90 4.222 -5.936 5.778 1.00 0.00 H new ATOM 0 HA ALA A 90 4.756 -3.960 6.672 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.109 -3.000 8.247 1.00 0.00 H new ATOM 0 HB2 ALA A 90 2.316 -3.845 6.896 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.414 -4.619 8.496 1.00 0.00 H new ATOM 1400 N ASN A 91 6.199 -5.548 8.507 1.00 0.00 N ATOM 1401 CA ASN A 91 7.143 -5.752 9.586 1.00 0.00 C ATOM 1402 C ASN A 91 7.824 -4.440 9.970 1.00 0.00 C ATOM 1403 O ASN A 91 8.262 -3.683 9.103 1.00 0.00 O ATOM 1404 CB ASN A 91 8.185 -6.779 9.158 1.00 0.00 C ATOM 1405 CG ASN A 91 7.569 -8.127 8.830 1.00 0.00 C ATOM 1406 OD1 ASN A 91 6.933 -8.753 9.677 1.00 0.00 O ATOM 1407 ND2 ASN A 91 7.758 -8.578 7.596 1.00 0.00 N ATOM 0 H ASN A 91 6.397 -6.093 7.668 1.00 0.00 H new ATOM 0 HA ASN A 91 6.604 -6.120 10.459 1.00 0.00 H new ATOM 0 HB2 ASN A 91 8.722 -6.406 8.286 1.00 0.00 H new ATOM 0 HB3 ASN A 91 8.918 -6.902 9.955 1.00 0.00 H new ATOM 0 HD21 ASN A 91 7.369 -9.478 7.317 1.00 0.00 H new ATOM 0 HD22 ASN A 91 8.293 -8.024 6.927 1.00 0.00 H new ATOM 1414 N PRO A 92 7.923 -4.150 11.280 1.00 0.00 N ATOM 1415 CA PRO A 92 8.556 -2.921 11.773 1.00 0.00 C ATOM 1416 C PRO A 92 9.907 -2.650 11.118 1.00 0.00 C ATOM 1417 O PRO A 92 10.353 -1.504 11.048 1.00 0.00 O ATOM 1418 CB PRO A 92 8.729 -3.199 13.264 1.00 0.00 C ATOM 1419 CG PRO A 92 7.598 -4.106 13.591 1.00 0.00 C ATOM 1420 CD PRO A 92 7.431 -4.992 12.389 1.00 0.00 C ATOM 0 HA PRO A 92 7.959 -2.036 11.551 1.00 0.00 H new ATOM 0 HB2 PRO A 92 9.691 -3.667 13.474 1.00 0.00 H new ATOM 0 HB3 PRO A 92 8.687 -2.280 13.849 1.00 0.00 H new ATOM 0 HG2 PRO A 92 7.812 -4.693 14.484 1.00 0.00 H new ATOM 0 HG3 PRO A 92 6.688 -3.541 13.791 1.00 0.00 H new ATOM 0 HD2 PRO A 92 8.008 -5.912 12.483 1.00 0.00 H new ATOM 0 HD3 PRO A 92 6.390 -5.282 12.244 1.00 0.00 H new ATOM 1428 N ALA A 93 10.557 -3.710 10.647 1.00 0.00 N ATOM 1429 CA ALA A 93 11.860 -3.581 10.007 1.00 0.00 C ATOM 1430 C ALA A 93 11.792 -3.917 8.521 1.00 0.00 C ATOM 1431 O ALA A 93 12.788 -4.326 7.925 1.00 0.00 O ATOM 1432 CB ALA A 93 12.877 -4.475 10.703 1.00 0.00 C ATOM 0 H ALA A 93 10.203 -4.665 10.697 1.00 0.00 H new ATOM 0 HA ALA A 93 12.174 -2.541 10.098 1.00 0.00 H new ATOM 0 HB1 ALA A 93 13.847 -4.370 10.216 1.00 0.00 H new ATOM 0 HB2 ALA A 93 12.963 -4.182 11.749 1.00 0.00 H new ATOM 0 HB3 ALA A 93 12.551 -5.513 10.642 1.00 0.00 H new ATOM 1438 N ALA A 94 10.619 -3.736 7.919 1.00 0.00 N ATOM 1439 CA ALA A 94 10.447 -4.020 6.497 1.00 0.00 C ATOM 1440 C ALA A 94 9.629 -2.941 5.813 1.00 0.00 C ATOM 1441 O ALA A 94 10.097 -2.308 4.867 1.00 0.00 O ATOM 1442 CB ALA A 94 9.817 -5.389 6.295 1.00 0.00 C ATOM 0 H ALA A 94 9.780 -3.397 8.389 1.00 0.00 H new ATOM 0 HA ALA A 94 11.435 -4.026 6.036 1.00 0.00 H new ATOM 0 HB1 ALA A 94 9.698 -5.581 5.229 1.00 0.00 H new ATOM 0 HB2 ALA A 94 10.460 -6.153 6.731 1.00 0.00 H new ATOM 0 HB3 ALA A 94 8.841 -5.416 6.780 1.00 0.00 H new ATOM 1448 N ILE A 95 8.417 -2.709 6.301 1.00 0.00 N ATOM 1449 CA ILE A 95 7.562 -1.679 5.731 1.00 0.00 C ATOM 1450 C ILE A 95 8.278 -0.325 5.711 1.00 0.00 C ATOM 1451 O ILE A 95 7.814 0.621 5.079 1.00 0.00 O ATOM 1452 CB ILE A 95 6.242 -1.562 6.520 1.00 0.00 C ATOM 1453 CG1 ILE A 95 5.399 -0.381 6.033 1.00 0.00 C ATOM 1454 CG2 ILE A 95 6.529 -1.430 8.008 1.00 0.00 C ATOM 1455 CD1 ILE A 95 5.135 -0.377 4.541 1.00 0.00 C ATOM 0 H ILE A 95 8.007 -3.217 7.085 1.00 0.00 H new ATOM 0 HA ILE A 95 7.333 -1.969 4.706 1.00 0.00 H new ATOM 0 HB ILE A 95 5.668 -2.472 6.347 1.00 0.00 H new ATOM 0 HG12 ILE A 95 4.444 -0.390 6.559 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.904 0.547 6.303 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.589 -1.348 8.554 1.00 0.00 H new ATOM 0 HG22 ILE A 95 7.074 -2.309 8.353 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.130 -0.538 8.185 1.00 0.00 H new ATOM 0 HD11 ILE A 95 4.531 0.493 4.281 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.083 -0.335 4.004 1.00 0.00 H new ATOM 0 HD13 ILE A 95 4.601 -1.286 4.264 1.00 0.00 H new ATOM 1467 N LYS A 96 9.416 -0.240 6.404 1.00 0.00 N ATOM 1468 CA LYS A 96 10.195 0.991 6.447 1.00 0.00 C ATOM 1469 C LYS A 96 11.247 1.004 5.346 1.00 0.00 C ATOM 1470 O LYS A 96 11.265 1.894 4.495 1.00 0.00 O ATOM 1471 CB LYS A 96 10.865 1.152 7.812 1.00 0.00 C ATOM 1472 CG LYS A 96 9.883 1.222 8.969 1.00 0.00 C ATOM 1473 CD LYS A 96 10.602 1.364 10.300 1.00 0.00 C ATOM 1474 CE LYS A 96 9.623 1.444 11.459 1.00 0.00 C ATOM 1475 NZ LYS A 96 10.321 1.575 12.768 1.00 0.00 N ATOM 0 H LYS A 96 9.815 -1.010 6.941 1.00 0.00 H new ATOM 0 HA LYS A 96 9.515 1.827 6.287 1.00 0.00 H new ATOM 0 HB2 LYS A 96 11.545 0.316 7.974 1.00 0.00 H new ATOM 0 HB3 LYS A 96 11.470 2.058 7.805 1.00 0.00 H new ATOM 0 HG2 LYS A 96 9.210 2.067 8.826 1.00 0.00 H new ATOM 0 HG3 LYS A 96 9.268 0.322 8.981 1.00 0.00 H new ATOM 0 HD2 LYS A 96 11.270 0.515 10.445 1.00 0.00 H new ATOM 0 HD3 LYS A 96 11.223 2.260 10.285 1.00 0.00 H new ATOM 0 HE2 LYS A 96 8.959 2.296 11.315 1.00 0.00 H new ATOM 0 HE3 LYS A 96 8.998 0.551 11.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 9.618 1.626 13.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 10.936 0.750 12.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 10.897 2.441 12.769 1.00 0.00 H new ATOM 1489 N GLN A 97 12.133 0.012 5.381 1.00 0.00 N ATOM 1490 CA GLN A 97 13.202 -0.097 4.399 1.00 0.00 C ATOM 1491 C GLN A 97 12.641 -0.308 2.999 1.00 0.00 C ATOM 1492 O GLN A 97 13.214 0.161 2.016 1.00 0.00 O ATOM 1493 CB GLN A 97 14.141 -1.248 4.763 1.00 0.00 C ATOM 1494 CG GLN A 97 14.800 -1.087 6.124 1.00 0.00 C ATOM 1495 CD GLN A 97 15.736 -2.232 6.458 1.00 0.00 C ATOM 1496 OE1 GLN A 97 16.702 -2.489 5.740 1.00 0.00 O ATOM 1497 NE2 GLN A 97 15.455 -2.926 7.554 1.00 0.00 N ATOM 0 H GLN A 97 12.129 -0.729 6.082 1.00 0.00 H new ATOM 0 HA GLN A 97 13.762 0.838 4.407 1.00 0.00 H new ATOM 0 HB2 GLN A 97 13.580 -2.182 4.748 1.00 0.00 H new ATOM 0 HB3 GLN A 97 14.916 -1.329 4.001 1.00 0.00 H new ATOM 0 HG2 GLN A 97 15.356 -0.150 6.146 1.00 0.00 H new ATOM 0 HG3 GLN A 97 14.029 -1.018 6.891 1.00 0.00 H new ATOM 0 HE21 GLN A 97 14.644 -2.678 8.120 1.00 0.00 H new ATOM 0 HE22 GLN A 97 16.050 -3.707 7.830 1.00 0.00 H new ATOM 1506 N ALA A 98 11.517 -1.010 2.912 1.00 0.00 N ATOM 1507 CA ALA A 98 10.886 -1.269 1.623 1.00 0.00 C ATOM 1508 C ALA A 98 10.571 0.040 0.905 1.00 0.00 C ATOM 1509 O ALA A 98 10.578 0.109 -0.323 1.00 0.00 O ATOM 1510 CB ALA A 98 9.620 -2.092 1.810 1.00 0.00 C ATOM 0 H ALA A 98 11.026 -1.408 3.713 1.00 0.00 H new ATOM 0 HA ALA A 98 11.582 -1.838 1.007 1.00 0.00 H new ATOM 0 HB1 ALA A 98 9.160 -2.277 0.839 1.00 0.00 H new ATOM 0 HB2 ALA A 98 9.870 -3.043 2.281 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.922 -1.546 2.444 1.00 0.00 H new ATOM 1516 N ILE A 99 10.291 1.074 1.688 1.00 0.00 N ATOM 1517 CA ILE A 99 9.969 2.389 1.155 1.00 0.00 C ATOM 1518 C ILE A 99 11.224 3.249 0.984 1.00 0.00 C ATOM 1519 O ILE A 99 11.168 4.334 0.405 1.00 0.00 O ATOM 1520 CB ILE A 99 8.960 3.106 2.079 1.00 0.00 C ATOM 1521 CG1 ILE A 99 7.599 2.409 2.015 1.00 0.00 C ATOM 1522 CG2 ILE A 99 8.818 4.576 1.703 1.00 0.00 C ATOM 1523 CD1 ILE A 99 7.631 0.950 2.408 1.00 0.00 C ATOM 0 H ILE A 99 10.281 1.024 2.707 1.00 0.00 H new ATOM 0 HA ILE A 99 9.522 2.248 0.171 1.00 0.00 H new ATOM 0 HB ILE A 99 9.339 3.054 3.100 1.00 0.00 H new ATOM 0 HG12 ILE A 99 6.903 2.935 2.669 1.00 0.00 H new ATOM 0 HG13 ILE A 99 7.208 2.492 1.001 1.00 0.00 H new ATOM 0 HG21 ILE A 99 8.101 5.055 2.370 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.785 5.070 1.795 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.466 4.656 0.675 1.00 0.00 H new ATOM 0 HD11 ILE A 99 6.627 0.532 2.335 1.00 0.00 H new ATOM 0 HD12 ILE A 99 8.299 0.408 1.739 1.00 0.00 H new ATOM 0 HD13 ILE A 99 7.990 0.857 3.433 1.00 0.00 H new ATOM 1535 N ALA A 100 12.354 2.764 1.487 1.00 0.00 N ATOM 1536 CA ALA A 100 13.611 3.497 1.386 1.00 0.00 C ATOM 1537 C ALA A 100 14.348 3.160 0.093 1.00 0.00 C ATOM 1538 O ALA A 100 14.421 3.979 -0.822 1.00 0.00 O ATOM 1539 CB ALA A 100 14.493 3.201 2.590 1.00 0.00 C ATOM 0 H ALA A 100 12.426 1.868 1.968 1.00 0.00 H new ATOM 0 HA ALA A 100 13.378 4.562 1.371 1.00 0.00 H new ATOM 0 HB1 ALA A 100 15.428 3.755 2.501 1.00 0.00 H new ATOM 0 HB2 ALA A 100 13.978 3.503 3.502 1.00 0.00 H new ATOM 0 HB3 ALA A 100 14.707 2.133 2.631 1.00 0.00 H new ATOM 1545 N ALA A 101 14.893 1.949 0.028 1.00 0.00 N ATOM 1546 CA ALA A 101 15.626 1.504 -1.152 1.00 0.00 C ATOM 1547 C ALA A 101 14.786 1.652 -2.415 1.00 0.00 C ATOM 1548 O ALA A 101 15.319 1.866 -3.504 1.00 0.00 O ATOM 1549 CB ALA A 101 16.074 0.061 -0.979 1.00 0.00 C ATOM 0 H ALA A 101 14.841 1.259 0.778 1.00 0.00 H new ATOM 0 HA ALA A 101 16.506 2.138 -1.261 1.00 0.00 H new ATOM 0 HB1 ALA A 101 16.620 -0.259 -1.866 1.00 0.00 H new ATOM 0 HB2 ALA A 101 16.722 -0.017 -0.106 1.00 0.00 H new ATOM 0 HB3 ALA A 101 15.201 -0.577 -0.840 1.00 0.00 H new ATOM 1555 N ASN A 102 13.471 1.534 -2.265 1.00 0.00 N ATOM 1556 CA ASN A 102 12.559 1.653 -3.385 1.00 0.00 C ATOM 1557 C ASN A 102 12.359 3.115 -3.774 1.00 0.00 C ATOM 1558 O ASN A 102 12.479 3.477 -4.945 1.00 0.00 O ATOM 1559 CB ASN A 102 11.225 1.018 -3.014 1.00 0.00 C ATOM 1560 CG ASN A 102 11.329 -0.484 -2.832 1.00 0.00 C ATOM 1561 OD1 ASN A 102 12.216 -0.975 -2.134 1.00 0.00 O ATOM 1562 ND2 ASN A 102 10.407 -1.219 -3.440 1.00 0.00 N ATOM 0 H ASN A 102 13.015 1.355 -1.370 1.00 0.00 H new ATOM 0 HA ASN A 102 12.985 1.135 -4.244 1.00 0.00 H new ATOM 0 HB2 ASN A 102 10.856 1.468 -2.092 1.00 0.00 H new ATOM 0 HB3 ASN A 102 10.493 1.237 -3.791 1.00 0.00 H new ATOM 0 HD21 ASN A 102 10.415 -2.234 -3.338 1.00 0.00 H new ATOM 0 HD22 ASN A 102 9.690 -0.769 -4.009 1.00 0.00 H new ATOM 1569 N ALA A 103 12.056 3.950 -2.786 1.00 0.00 N ATOM 1570 CA ALA A 103 11.841 5.371 -3.028 1.00 0.00 C ATOM 1571 C ALA A 103 13.074 6.186 -2.650 1.00 0.00 C ATOM 1572 O ALA A 103 14.188 5.621 -2.685 1.00 0.00 O ATOM 1573 CB ALA A 103 10.626 5.862 -2.255 1.00 0.00 C ATOM 1574 OXT ALA A 103 12.915 7.380 -2.322 1.00 0.00 O ATOM 0 H ALA A 103 11.954 3.667 -1.811 1.00 0.00 H new ATOM 0 HA ALA A 103 11.659 5.508 -4.094 1.00 0.00 H new ATOM 0 HB1 ALA A 103 10.478 6.925 -2.446 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.743 5.310 -2.576 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.785 5.704 -1.188 1.00 0.00 H new