USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 889 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: B 107 ASN : amide:sc= -1.62 X(o=-1.6,f=-1.3!) USER MOD Set 1.2: B 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: B 106 GLN : amide:sc= 0.24 K(o=1.2,f=-1.6) USER MOD Set 2.2: B 110 TYR OH : rot -114:sc= 0.975 USER MOD Single : A 1 MET CE :methyl -148:sc= -0.237 (180deg=-0.736) USER MOD Single : A 1 MET N :NH3+ -171:sc= -0.0135 (180deg=-0.138) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -177:sc= 1.16 (180deg=0.992) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN :FLIP amide:sc= -0.0529 F(o=-0.88,f=-0.053) USER MOD Single : A 15 LYS NZ :NH3+ -119:sc= 0.598 (180deg=-0.0357) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN :FLIP amide:sc= -0.764 F(o=-2.2!,f=-0.76) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 24 GLN :FLIP amide:sc= -0.871 F(o=-1.7,f=-0.87) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 GLN : amide:sc= -0.256 X(o=-0.26,f=-0.0059) USER MOD Single : A 30 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.04) USER MOD Single : A 33 LYS NZ :NH3+ 162:sc= -0.114 (180deg=-0.565) USER MOD Single : A 39 GLN : amide:sc= -0.0681 K(o=-0.068,f=-1.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.334 X(o=-0.33,f=-0.33) USER MOD Single : B 88 SER OG : rot 180:sc= 0 USER MOD Single : B 100 GLN :FLIP amide:sc= -0.336 F(o=-1.7!,f=-0.34) USER MOD Single : B 101 TYR OH : rot 180:sc= 0 USER MOD Single : B 112 LYS NZ :NH3+ 172:sc= -0.0038 (180deg=-0.0839) USER MOD Single : B 115 GLN :FLIP amide:sc= -0.352 F(o=-1.4!,f=-0.35) USER MOD Single : B 123 LYS NZ :NH3+ 144:sc= -1.4 (180deg=-2.58) USER MOD Single : B 130 SER OG : rot -32:sc= 0.125 USER MOD Single : B 133 THR OG1 : rot 180:sc= -0.0314 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 35.644 -0.763 0.465 1.00 0.00 N ATOM 2 CA MET A 1 34.531 0.096 0.941 1.00 0.00 C ATOM 3 C MET A 1 33.690 -0.647 1.970 1.00 0.00 C ATOM 4 O MET A 1 32.502 -0.880 1.757 1.00 0.00 O ATOM 5 CB MET A 1 33.634 0.521 -0.227 1.00 0.00 C ATOM 6 CG MET A 1 34.363 1.248 -1.344 1.00 0.00 C ATOM 7 SD MET A 1 33.255 1.779 -2.665 1.00 0.00 S ATOM 8 CE MET A 1 32.515 0.220 -3.149 1.00 0.00 C ATOM 0 H1 MET A 1 36.295 -0.197 -0.117 1.00 0.00 H new ATOM 0 H2 MET A 1 36.158 -1.150 1.282 1.00 0.00 H new ATOM 0 H3 MET A 1 35.261 -1.544 -0.104 1.00 0.00 H new ATOM 0 HA MET A 1 34.967 0.984 1.399 1.00 0.00 H new ATOM 0 HB2 MET A 1 33.152 -0.365 -0.640 1.00 0.00 H new ATOM 0 HB3 MET A 1 32.842 1.166 0.154 1.00 0.00 H new ATOM 0 HG2 MET A 1 34.875 2.118 -0.933 1.00 0.00 H new ATOM 0 HG3 MET A 1 35.130 0.593 -1.759 1.00 0.00 H new ATOM 0 HE1 MET A 1 32.289 0.240 -4.215 1.00 0.00 H new ATOM 0 HE2 MET A 1 33.211 -0.593 -2.941 1.00 0.00 H new ATOM 0 HE3 MET A 1 31.595 0.063 -2.586 1.00 0.00 H new ATOM 20 N ASP A 2 34.305 -1.026 3.082 1.00 0.00 N ATOM 21 CA ASP A 2 33.596 -1.754 4.126 1.00 0.00 C ATOM 22 C ASP A 2 33.430 -0.875 5.355 1.00 0.00 C ATOM 23 O ASP A 2 32.326 -0.435 5.677 1.00 0.00 O ATOM 24 CB ASP A 2 34.347 -3.034 4.515 1.00 0.00 C ATOM 25 CG ASP A 2 34.571 -3.974 3.350 1.00 0.00 C ATOM 26 OD1 ASP A 2 33.622 -4.680 2.953 1.00 0.00 O ATOM 27 OD2 ASP A 2 35.708 -4.020 2.833 1.00 0.00 O ATOM 0 H ASP A 2 35.288 -0.843 3.284 1.00 0.00 H new ATOM 0 HA ASP A 2 32.616 -2.029 3.736 1.00 0.00 H new ATOM 0 HB2 ASP A 2 35.311 -2.765 4.946 1.00 0.00 H new ATOM 0 HB3 ASP A 2 33.786 -3.555 5.291 1.00 0.00 H new ATOM 32 N SER A 3 34.546 -0.589 6.011 1.00 0.00 N ATOM 33 CA SER A 3 34.545 0.186 7.244 1.00 0.00 C ATOM 34 C SER A 3 34.445 1.682 6.952 1.00 0.00 C ATOM 35 O SER A 3 34.343 2.499 7.867 1.00 0.00 O ATOM 36 CB SER A 3 35.820 -0.113 8.033 1.00 0.00 C ATOM 37 OG SER A 3 36.042 -1.512 8.125 1.00 0.00 O ATOM 0 H SER A 3 35.473 -0.886 5.706 1.00 0.00 H new ATOM 0 HA SER A 3 33.674 -0.099 7.835 1.00 0.00 H new ATOM 0 HB2 SER A 3 36.672 0.363 7.549 1.00 0.00 H new ATOM 0 HB3 SER A 3 35.742 0.314 9.033 1.00 0.00 H new ATOM 0 HG SER A 3 36.864 -1.680 8.632 1.00 0.00 H new ATOM 43 N ALA A 4 34.479 2.036 5.673 1.00 0.00 N ATOM 44 CA ALA A 4 34.367 3.427 5.259 1.00 0.00 C ATOM 45 C ALA A 4 32.922 3.898 5.344 1.00 0.00 C ATOM 46 O ALA A 4 32.650 5.094 5.418 1.00 0.00 O ATOM 47 CB ALA A 4 34.905 3.605 3.847 1.00 0.00 C ATOM 0 H ALA A 4 34.584 1.375 4.903 1.00 0.00 H new ATOM 0 HA ALA A 4 34.965 4.037 5.936 1.00 0.00 H new ATOM 0 HB1 ALA A 4 34.814 4.650 3.552 1.00 0.00 H new ATOM 0 HB2 ALA A 4 35.954 3.309 3.817 1.00 0.00 H new ATOM 0 HB3 ALA A 4 34.333 2.983 3.159 1.00 0.00 H new ATOM 53 N ILE A 5 31.999 2.948 5.329 1.00 0.00 N ATOM 54 CA ILE A 5 30.584 3.253 5.446 1.00 0.00 C ATOM 55 C ILE A 5 30.209 3.466 6.908 1.00 0.00 C ATOM 56 O ILE A 5 30.164 2.516 7.691 1.00 0.00 O ATOM 57 CB ILE A 5 29.730 2.115 4.857 1.00 0.00 C ATOM 58 CG1 ILE A 5 30.165 1.831 3.418 1.00 0.00 C ATOM 59 CG2 ILE A 5 28.250 2.468 4.912 1.00 0.00 C ATOM 60 CD1 ILE A 5 29.446 0.665 2.781 1.00 0.00 C ATOM 0 H ILE A 5 32.208 1.954 5.236 1.00 0.00 H new ATOM 0 HA ILE A 5 30.388 4.167 4.886 1.00 0.00 H new ATOM 0 HB ILE A 5 29.882 1.216 5.454 1.00 0.00 H new ATOM 0 HG12 ILE A 5 29.996 2.723 2.815 1.00 0.00 H new ATOM 0 HG13 ILE A 5 31.237 1.635 3.405 1.00 0.00 H new ATOM 0 HG21 ILE A 5 27.665 1.650 4.491 1.00 0.00 H new ATOM 0 HG22 ILE A 5 27.953 2.631 5.948 1.00 0.00 H new ATOM 0 HG23 ILE A 5 28.071 3.376 4.336 1.00 0.00 H new ATOM 0 HD11 ILE A 5 29.809 0.526 1.762 1.00 0.00 H new ATOM 0 HD12 ILE A 5 29.635 -0.239 3.360 1.00 0.00 H new ATOM 0 HD13 ILE A 5 28.375 0.865 2.761 1.00 0.00 H new ATOM 72 N SER A 6 29.944 4.711 7.273 1.00 0.00 N ATOM 73 CA SER A 6 29.604 5.047 8.643 1.00 0.00 C ATOM 74 C SER A 6 28.092 4.958 8.849 1.00 0.00 C ATOM 75 O SER A 6 27.372 4.462 7.977 1.00 0.00 O ATOM 76 CB SER A 6 30.105 6.457 8.969 1.00 0.00 C ATOM 77 OG SER A 6 31.453 6.620 8.563 1.00 0.00 O ATOM 0 H SER A 6 29.959 5.507 6.635 1.00 0.00 H new ATOM 0 HA SER A 6 30.086 4.337 9.315 1.00 0.00 H new ATOM 0 HB2 SER A 6 29.478 7.195 8.468 1.00 0.00 H new ATOM 0 HB3 SER A 6 30.019 6.640 10.040 1.00 0.00 H new ATOM 0 HG SER A 6 31.752 7.528 8.779 1.00 0.00 H new ATOM 83 N LYS A 7 27.607 5.434 9.987 1.00 0.00 N ATOM 84 CA LYS A 7 26.176 5.466 10.238 1.00 0.00 C ATOM 85 C LYS A 7 25.523 6.552 9.381 1.00 0.00 C ATOM 86 O LYS A 7 24.304 6.593 9.227 1.00 0.00 O ATOM 87 CB LYS A 7 25.909 5.695 11.728 1.00 0.00 C ATOM 88 CG LYS A 7 24.437 5.680 12.087 1.00 0.00 C ATOM 89 CD LYS A 7 24.211 5.800 13.584 1.00 0.00 C ATOM 90 CE LYS A 7 24.623 4.535 14.323 1.00 0.00 C ATOM 91 NZ LYS A 7 23.740 3.378 14.000 1.00 0.00 N ATOM 0 H LYS A 7 28.181 5.801 10.746 1.00 0.00 H new ATOM 0 HA LYS A 7 25.737 4.507 9.963 1.00 0.00 H new ATOM 0 HB2 LYS A 7 26.423 4.925 12.304 1.00 0.00 H new ATOM 0 HB3 LYS A 7 26.337 6.653 12.023 1.00 0.00 H new ATOM 0 HG2 LYS A 7 23.932 6.501 11.578 1.00 0.00 H new ATOM 0 HG3 LYS A 7 23.986 4.756 11.726 1.00 0.00 H new ATOM 0 HD2 LYS A 7 24.778 6.647 13.970 1.00 0.00 H new ATOM 0 HD3 LYS A 7 23.158 6.007 13.777 1.00 0.00 H new ATOM 0 HE2 LYS A 7 25.653 4.286 14.066 1.00 0.00 H new ATOM 0 HE3 LYS A 7 24.598 4.720 15.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 24.028 2.553 14.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 22.753 3.622 14.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 23.822 3.151 12.988 1.00 0.00 H new ATOM 105 N GLU A 8 26.355 7.419 8.812 1.00 0.00 N ATOM 106 CA GLU A 8 25.898 8.455 7.894 1.00 0.00 C ATOM 107 C GLU A 8 25.131 7.847 6.721 1.00 0.00 C ATOM 108 O GLU A 8 23.980 8.204 6.465 1.00 0.00 O ATOM 109 CB GLU A 8 27.097 9.250 7.378 1.00 0.00 C ATOM 110 CG GLU A 8 27.770 10.092 8.447 1.00 0.00 C ATOM 111 CD GLU A 8 26.847 11.145 9.018 1.00 0.00 C ATOM 112 OE1 GLU A 8 26.144 10.853 10.008 1.00 0.00 O ATOM 113 OE2 GLU A 8 26.814 12.270 8.476 1.00 0.00 O ATOM 0 H GLU A 8 27.362 7.423 8.974 1.00 0.00 H new ATOM 0 HA GLU A 8 25.224 9.121 8.432 1.00 0.00 H new ATOM 0 HB2 GLU A 8 27.828 8.559 6.958 1.00 0.00 H new ATOM 0 HB3 GLU A 8 26.770 9.900 6.567 1.00 0.00 H new ATOM 0 HG2 GLU A 8 28.118 9.443 9.251 1.00 0.00 H new ATOM 0 HG3 GLU A 8 28.651 10.575 8.024 1.00 0.00 H new ATOM 120 N ASP A 9 25.777 6.922 6.023 1.00 0.00 N ATOM 121 CA ASP A 9 25.158 6.227 4.894 1.00 0.00 C ATOM 122 C ASP A 9 23.975 5.390 5.367 1.00 0.00 C ATOM 123 O ASP A 9 22.938 5.321 4.707 1.00 0.00 O ATOM 124 CB ASP A 9 26.193 5.332 4.208 1.00 0.00 C ATOM 125 CG ASP A 9 25.638 4.590 3.009 1.00 0.00 C ATOM 126 OD1 ASP A 9 25.720 5.124 1.883 1.00 0.00 O ATOM 127 OD2 ASP A 9 25.140 3.457 3.180 1.00 0.00 O ATOM 0 H ASP A 9 26.735 6.632 6.218 1.00 0.00 H new ATOM 0 HA ASP A 9 24.795 6.968 4.182 1.00 0.00 H new ATOM 0 HB2 ASP A 9 27.038 5.942 3.890 1.00 0.00 H new ATOM 0 HB3 ASP A 9 26.575 4.610 4.930 1.00 0.00 H new ATOM 132 N GLU A 10 24.145 4.769 6.527 1.00 0.00 N ATOM 133 CA GLU A 10 23.123 3.914 7.118 1.00 0.00 C ATOM 134 C GLU A 10 21.829 4.684 7.370 1.00 0.00 C ATOM 135 O GLU A 10 20.791 4.375 6.783 1.00 0.00 O ATOM 136 CB GLU A 10 23.652 3.326 8.427 1.00 0.00 C ATOM 137 CG GLU A 10 22.640 2.495 9.192 1.00 0.00 C ATOM 138 CD GLU A 10 23.184 2.012 10.519 1.00 0.00 C ATOM 139 OE1 GLU A 10 23.023 2.728 11.528 1.00 0.00 O ATOM 140 OE2 GLU A 10 23.786 0.918 10.558 1.00 0.00 O ATOM 0 H GLU A 10 24.995 4.844 7.085 1.00 0.00 H new ATOM 0 HA GLU A 10 22.896 3.110 6.418 1.00 0.00 H new ATOM 0 HB2 GLU A 10 24.522 2.707 8.208 1.00 0.00 H new ATOM 0 HB3 GLU A 10 23.993 4.141 9.066 1.00 0.00 H new ATOM 0 HG2 GLU A 10 21.741 3.087 9.364 1.00 0.00 H new ATOM 0 HG3 GLU A 10 22.346 1.637 8.588 1.00 0.00 H new ATOM 147 N GLU A 11 21.906 5.689 8.235 1.00 0.00 N ATOM 148 CA GLU A 11 20.753 6.504 8.591 1.00 0.00 C ATOM 149 C GLU A 11 20.102 7.129 7.363 1.00 0.00 C ATOM 150 O GLU A 11 18.905 7.406 7.363 1.00 0.00 O ATOM 151 CB GLU A 11 21.171 7.595 9.573 1.00 0.00 C ATOM 152 CG GLU A 11 21.505 7.064 10.954 1.00 0.00 C ATOM 153 CD GLU A 11 20.270 6.679 11.742 1.00 0.00 C ATOM 154 OE1 GLU A 11 19.924 5.480 11.775 1.00 0.00 O ATOM 155 OE2 GLU A 11 19.636 7.576 12.336 1.00 0.00 O ATOM 0 H GLU A 11 22.768 5.960 8.708 1.00 0.00 H new ATOM 0 HA GLU A 11 20.016 5.852 9.060 1.00 0.00 H new ATOM 0 HB2 GLU A 11 22.039 8.120 9.174 1.00 0.00 H new ATOM 0 HB3 GLU A 11 20.367 8.326 9.657 1.00 0.00 H new ATOM 0 HG2 GLU A 11 22.156 6.195 10.858 1.00 0.00 H new ATOM 0 HG3 GLU A 11 22.063 7.821 11.506 1.00 0.00 H new ATOM 162 N ARG A 12 20.891 7.346 6.320 1.00 0.00 N ATOM 163 CA ARG A 12 20.380 7.928 5.088 1.00 0.00 C ATOM 164 C ARG A 12 19.350 6.996 4.456 1.00 0.00 C ATOM 165 O ARG A 12 18.281 7.433 4.019 1.00 0.00 O ATOM 166 CB ARG A 12 21.528 8.196 4.109 1.00 0.00 C ATOM 167 CG ARG A 12 21.106 8.935 2.851 1.00 0.00 C ATOM 168 CD ARG A 12 20.616 10.340 3.158 1.00 0.00 C ATOM 169 NE ARG A 12 20.219 11.054 1.946 1.00 0.00 N ATOM 170 CZ ARG A 12 20.364 12.368 1.770 1.00 0.00 C ATOM 171 NH1 ARG A 12 20.902 13.116 2.728 1.00 0.00 N ATOM 172 NH2 ARG A 12 19.969 12.931 0.635 1.00 0.00 N ATOM 0 H ARG A 12 21.887 7.128 6.303 1.00 0.00 H new ATOM 0 HA ARG A 12 19.897 8.877 5.322 1.00 0.00 H new ATOM 0 HB2 ARG A 12 22.298 8.776 4.618 1.00 0.00 H new ATOM 0 HB3 ARG A 12 21.980 7.245 3.826 1.00 0.00 H new ATOM 0 HG2 ARG A 12 21.948 8.987 2.160 1.00 0.00 H new ATOM 0 HG3 ARG A 12 20.316 8.376 2.349 1.00 0.00 H new ATOM 0 HD2 ARG A 12 19.770 10.288 3.843 1.00 0.00 H new ATOM 0 HD3 ARG A 12 21.403 10.897 3.666 1.00 0.00 H new ATOM 0 HE ARG A 12 19.805 10.513 1.187 1.00 0.00 H new ATOM 0 HH11 ARG A 12 21.206 12.685 3.601 1.00 0.00 H new ATOM 0 HH12 ARG A 12 21.011 14.121 2.590 1.00 0.00 H new ATOM 0 HH21 ARG A 12 19.555 12.359 -0.101 1.00 0.00 H new ATOM 0 HH22 ARG A 12 20.079 13.936 0.499 1.00 0.00 H new ATOM 186 N TYR A 13 19.668 5.709 4.432 1.00 0.00 N ATOM 187 CA TYR A 13 18.762 4.716 3.886 1.00 0.00 C ATOM 188 C TYR A 13 17.655 4.395 4.883 1.00 0.00 C ATOM 189 O TYR A 13 16.480 4.373 4.524 1.00 0.00 O ATOM 190 CB TYR A 13 19.529 3.448 3.516 1.00 0.00 C ATOM 191 CG TYR A 13 18.640 2.285 3.143 1.00 0.00 C ATOM 192 CD1 TYR A 13 17.782 2.362 2.055 1.00 0.00 C ATOM 193 CD2 TYR A 13 18.654 1.114 3.888 1.00 0.00 C ATOM 194 CE1 TYR A 13 16.962 1.304 1.717 1.00 0.00 C ATOM 195 CE2 TYR A 13 17.839 0.049 3.558 1.00 0.00 C ATOM 196 CZ TYR A 13 16.995 0.146 2.472 1.00 0.00 C ATOM 197 OH TYR A 13 16.175 -0.910 2.144 1.00 0.00 O ATOM 0 H TYR A 13 20.547 5.331 4.785 1.00 0.00 H new ATOM 0 HA TYR A 13 18.304 5.124 2.985 1.00 0.00 H new ATOM 0 HB2 TYR A 13 20.194 3.667 2.681 1.00 0.00 H new ATOM 0 HB3 TYR A 13 20.159 3.157 4.357 1.00 0.00 H new ATOM 0 HD1 TYR A 13 17.755 3.265 1.463 1.00 0.00 H new ATOM 0 HD2 TYR A 13 19.313 1.034 4.740 1.00 0.00 H new ATOM 0 HE1 TYR A 13 16.299 1.380 0.868 1.00 0.00 H new ATOM 0 HE2 TYR A 13 17.863 -0.855 4.148 1.00 0.00 H new ATOM 0 HH TYR A 13 16.322 -1.646 2.774 1.00 0.00 H new ATOM 207 N GLN A 14 18.044 4.165 6.133 1.00 0.00 N ATOM 208 CA GLN A 14 17.102 3.807 7.194 1.00 0.00 C ATOM 209 C GLN A 14 15.951 4.797 7.278 1.00 0.00 C ATOM 210 O GLN A 14 14.783 4.420 7.216 1.00 0.00 O ATOM 211 CB GLN A 14 17.815 3.774 8.542 1.00 0.00 C ATOM 212 CG GLN A 14 18.913 2.734 8.635 1.00 0.00 C ATOM 213 CD GLN A 14 18.413 1.308 8.489 1.00 0.00 C ATOM 214 OE1 GLN A 14 17.192 1.048 8.930 1.00 0.00 O flip ATOM 215 NE2 GLN A 14 19.128 0.441 7.987 1.00 0.00 N flip ATOM 0 H GLN A 14 19.015 4.220 6.441 1.00 0.00 H new ATOM 0 HA GLN A 14 16.703 2.822 6.953 1.00 0.00 H new ATOM 0 HB2 GLN A 14 18.243 4.757 8.739 1.00 0.00 H new ATOM 0 HB3 GLN A 14 17.081 3.583 9.325 1.00 0.00 H new ATOM 0 HG2 GLN A 14 19.655 2.931 7.861 1.00 0.00 H new ATOM 0 HG3 GLN A 14 19.419 2.836 9.595 1.00 0.00 H new ATOM 0 HE21 GLN A 14 20.064 0.679 7.658 1.00 0.00 H new ATOM 0 HE22 GLN A 14 18.785 -0.516 7.900 1.00 0.00 H new ATOM 224 N LYS A 15 16.292 6.063 7.438 1.00 0.00 N ATOM 225 CA LYS A 15 15.288 7.113 7.526 1.00 0.00 C ATOM 226 C LYS A 15 14.388 7.136 6.292 1.00 0.00 C ATOM 227 O LYS A 15 13.199 7.415 6.399 1.00 0.00 O ATOM 228 CB LYS A 15 15.946 8.480 7.730 1.00 0.00 C ATOM 229 CG LYS A 15 16.657 8.602 9.067 1.00 0.00 C ATOM 230 CD LYS A 15 15.688 8.447 10.228 1.00 0.00 C ATOM 231 CE LYS A 15 16.421 8.190 11.530 1.00 0.00 C ATOM 232 NZ LYS A 15 17.331 9.308 11.890 1.00 0.00 N ATOM 0 H LYS A 15 17.255 6.391 7.510 1.00 0.00 H new ATOM 0 HA LYS A 15 14.663 6.893 8.392 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.661 8.656 6.927 1.00 0.00 H new ATOM 0 HB3 LYS A 15 15.186 9.258 7.656 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.435 7.842 9.137 1.00 0.00 H new ATOM 0 HG3 LYS A 15 17.151 9.572 9.131 1.00 0.00 H new ATOM 0 HD2 LYS A 15 15.083 9.349 10.321 1.00 0.00 H new ATOM 0 HD3 LYS A 15 15.004 7.623 10.025 1.00 0.00 H new ATOM 0 HE2 LYS A 15 15.696 8.041 12.330 1.00 0.00 H new ATOM 0 HE3 LYS A 15 16.996 7.268 11.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 18.309 8.958 11.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 17.263 10.056 11.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 17.058 9.693 12.817 1.00 0.00 H new ATOM 246 N LEU A 16 14.949 6.818 5.132 1.00 0.00 N ATOM 247 CA LEU A 16 14.182 6.831 3.893 1.00 0.00 C ATOM 248 C LEU A 16 13.133 5.727 3.886 1.00 0.00 C ATOM 249 O LEU A 16 11.978 5.955 3.522 1.00 0.00 O ATOM 250 CB LEU A 16 15.106 6.674 2.688 1.00 0.00 C ATOM 251 CG LEU A 16 14.472 6.991 1.333 1.00 0.00 C ATOM 252 CD1 LEU A 16 13.739 8.324 1.391 1.00 0.00 C ATOM 253 CD2 LEU A 16 15.549 7.017 0.271 1.00 0.00 C ATOM 0 H LEU A 16 15.927 6.549 5.023 1.00 0.00 H new ATOM 0 HA LEU A 16 13.673 7.793 3.828 1.00 0.00 H new ATOM 0 HB2 LEU A 16 15.971 7.323 2.827 1.00 0.00 H new ATOM 0 HB3 LEU A 16 15.477 5.649 2.666 1.00 0.00 H new ATOM 0 HG LEU A 16 13.745 6.218 1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 16 13.293 8.536 0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 16 12.956 8.276 2.147 1.00 0.00 H new ATOM 0 HD13 LEU A 16 14.443 9.116 1.648 1.00 0.00 H new ATOM 0 HD21 LEU A 16 15.101 7.243 -0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 16 16.285 7.783 0.517 1.00 0.00 H new ATOM 0 HD23 LEU A 16 16.039 6.044 0.226 1.00 0.00 H new ATOM 265 N VAL A 17 13.539 4.531 4.285 1.00 0.00 N ATOM 266 CA VAL A 17 12.613 3.408 4.361 1.00 0.00 C ATOM 267 C VAL A 17 11.569 3.676 5.428 1.00 0.00 C ATOM 268 O VAL A 17 10.416 3.282 5.293 1.00 0.00 O ATOM 269 CB VAL A 17 13.336 2.077 4.665 1.00 0.00 C ATOM 270 CG1 VAL A 17 14.644 2.030 3.920 1.00 0.00 C ATOM 271 CG2 VAL A 17 13.562 1.877 6.157 1.00 0.00 C ATOM 0 H VAL A 17 14.497 4.312 4.560 1.00 0.00 H new ATOM 0 HA VAL A 17 12.136 3.310 3.386 1.00 0.00 H new ATOM 0 HB VAL A 17 12.696 1.262 4.328 1.00 0.00 H new ATOM 0 HG11 VAL A 17 15.152 1.090 4.136 1.00 0.00 H new ATOM 0 HG12 VAL A 17 14.455 2.103 2.849 1.00 0.00 H new ATOM 0 HG13 VAL A 17 15.272 2.863 4.235 1.00 0.00 H new ATOM 0 HG21 VAL A 17 14.073 0.929 6.324 1.00 0.00 H new ATOM 0 HG22 VAL A 17 14.173 2.692 6.545 1.00 0.00 H new ATOM 0 HG23 VAL A 17 12.602 1.867 6.672 1.00 0.00 H new ATOM 281 N THR A 18 11.989 4.371 6.476 1.00 0.00 N ATOM 282 CA THR A 18 11.097 4.754 7.546 1.00 0.00 C ATOM 283 C THR A 18 9.978 5.618 6.982 1.00 0.00 C ATOM 284 O THR A 18 8.804 5.361 7.228 1.00 0.00 O ATOM 285 CB THR A 18 11.881 5.486 8.667 1.00 0.00 C ATOM 286 OG1 THR A 18 11.896 4.691 9.861 1.00 0.00 O ATOM 287 CG2 THR A 18 11.306 6.861 8.968 1.00 0.00 C ATOM 0 H THR A 18 12.953 4.681 6.602 1.00 0.00 H new ATOM 0 HA THR A 18 10.652 3.865 7.992 1.00 0.00 H new ATOM 0 HB THR A 18 12.900 5.628 8.308 1.00 0.00 H new ATOM 0 HG1 THR A 18 12.395 5.162 10.561 1.00 0.00 H new ATOM 0 HG21 THR A 18 11.888 7.334 9.759 1.00 0.00 H new ATOM 0 HG22 THR A 18 11.347 7.477 8.070 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.270 6.759 9.291 1.00 0.00 H new ATOM 295 N GLU A 19 10.361 6.600 6.173 1.00 0.00 N ATOM 296 CA GLU A 19 9.413 7.478 5.514 1.00 0.00 C ATOM 297 C GLU A 19 8.441 6.664 4.682 1.00 0.00 C ATOM 298 O GLU A 19 7.233 6.876 4.734 1.00 0.00 O ATOM 299 CB GLU A 19 10.176 8.458 4.631 1.00 0.00 C ATOM 300 CG GLU A 19 11.112 9.353 5.421 1.00 0.00 C ATOM 301 CD GLU A 19 10.389 10.484 6.122 1.00 0.00 C ATOM 302 OE1 GLU A 19 9.962 11.437 5.433 1.00 0.00 O ATOM 303 OE2 GLU A 19 10.270 10.447 7.362 1.00 0.00 O ATOM 0 H GLU A 19 11.337 6.806 5.959 1.00 0.00 H new ATOM 0 HA GLU A 19 8.844 8.031 6.261 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.751 7.902 3.891 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.465 9.076 4.083 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.643 8.753 6.161 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.863 9.769 4.749 1.00 0.00 H new ATOM 310 N ASN A 20 8.998 5.707 3.952 1.00 0.00 N ATOM 311 CA ASN A 20 8.232 4.826 3.081 1.00 0.00 C ATOM 312 C ASN A 20 7.185 4.046 3.882 1.00 0.00 C ATOM 313 O ASN A 20 6.019 3.976 3.493 1.00 0.00 O ATOM 314 CB ASN A 20 9.198 3.864 2.382 1.00 0.00 C ATOM 315 CG ASN A 20 8.646 3.251 1.108 1.00 0.00 C ATOM 316 OD1 ASN A 20 9.540 2.995 0.163 1.00 0.00 O flip ATOM 317 ND2 ASN A 20 7.448 3.011 0.971 1.00 0.00 N flip ATOM 0 H ASN A 20 10.001 5.519 3.948 1.00 0.00 H new ATOM 0 HA ASN A 20 7.703 5.422 2.337 1.00 0.00 H new ATOM 0 HB2 ASN A 20 10.119 4.398 2.147 1.00 0.00 H new ATOM 0 HB3 ASN A 20 9.461 3.064 3.074 1.00 0.00 H new ATOM 0 HD21 ASN A 20 6.796 3.225 1.725 1.00 0.00 H new ATOM 0 HD22 ASN A 20 7.107 2.598 0.103 1.00 0.00 H new ATOM 324 N GLU A 21 7.605 3.476 5.008 1.00 0.00 N ATOM 325 CA GLU A 21 6.713 2.702 5.860 1.00 0.00 C ATOM 326 C GLU A 21 5.611 3.567 6.471 1.00 0.00 C ATOM 327 O GLU A 21 4.477 3.111 6.637 1.00 0.00 O ATOM 328 CB GLU A 21 7.524 2.041 6.960 1.00 0.00 C ATOM 329 CG GLU A 21 8.652 1.196 6.413 1.00 0.00 C ATOM 330 CD GLU A 21 8.193 -0.141 5.871 1.00 0.00 C ATOM 331 OE1 GLU A 21 7.610 -0.934 6.640 1.00 0.00 O ATOM 332 OE2 GLU A 21 8.438 -0.415 4.674 1.00 0.00 O ATOM 0 H GLU A 21 8.564 3.537 5.351 1.00 0.00 H new ATOM 0 HA GLU A 21 6.227 1.946 5.244 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.933 2.808 7.617 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.868 1.418 7.568 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.157 1.747 5.620 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.385 1.028 7.202 1.00 0.00 H new ATOM 339 N GLN A 22 5.941 4.811 6.809 1.00 0.00 N ATOM 340 CA GLN A 22 4.975 5.714 7.430 1.00 0.00 C ATOM 341 C GLN A 22 3.778 5.938 6.526 1.00 0.00 C ATOM 342 O GLN A 22 2.645 5.575 6.851 1.00 0.00 O ATOM 343 CB GLN A 22 5.582 7.090 7.710 1.00 0.00 C ATOM 344 CG GLN A 22 6.885 7.079 8.487 1.00 0.00 C ATOM 345 CD GLN A 22 7.385 8.479 8.767 1.00 0.00 C ATOM 346 OE1 GLN A 22 7.117 9.411 8.008 1.00 0.00 O ATOM 347 NE2 GLN A 22 8.111 8.638 9.861 1.00 0.00 N ATOM 0 H GLN A 22 6.866 5.216 6.664 1.00 0.00 H new ATOM 0 HA GLN A 22 4.676 5.236 8.363 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.750 7.595 6.759 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.854 7.684 8.262 1.00 0.00 H new ATOM 0 HG2 GLN A 22 6.742 6.549 9.429 1.00 0.00 H new ATOM 0 HG3 GLN A 22 7.639 6.530 7.924 1.00 0.00 H new ATOM 0 HE21 GLN A 22 8.309 7.838 10.462 1.00 0.00 H new ATOM 0 HE22 GLN A 22 8.473 9.560 10.104 1.00 0.00 H new ATOM 356 N LEU A 23 4.046 6.535 5.378 1.00 0.00 N ATOM 357 CA LEU A 23 2.994 7.085 4.554 1.00 0.00 C ATOM 358 C LEU A 23 2.283 6.013 3.733 1.00 0.00 C ATOM 359 O LEU A 23 1.156 6.222 3.298 1.00 0.00 O ATOM 360 CB LEU A 23 3.540 8.231 3.687 1.00 0.00 C ATOM 361 CG LEU A 23 4.210 7.873 2.361 1.00 0.00 C ATOM 362 CD1 LEU A 23 4.747 9.131 1.713 1.00 0.00 C ATOM 363 CD2 LEU A 23 5.329 6.864 2.528 1.00 0.00 C ATOM 0 H LEU A 23 4.986 6.649 4.998 1.00 0.00 H new ATOM 0 HA LEU A 23 2.231 7.502 5.211 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.714 8.909 3.471 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.261 8.788 4.285 1.00 0.00 H new ATOM 0 HG LEU A 23 3.454 7.411 1.726 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.225 8.877 0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 23 3.926 9.825 1.530 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.477 9.598 2.375 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.770 6.646 1.555 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.093 7.274 3.189 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.930 5.946 2.960 1.00 0.00 H new ATOM 375 N GLN A 24 2.916 4.855 3.554 1.00 0.00 N ATOM 376 CA GLN A 24 2.247 3.729 2.904 1.00 0.00 C ATOM 377 C GLN A 24 1.073 3.272 3.769 1.00 0.00 C ATOM 378 O GLN A 24 0.026 2.859 3.266 1.00 0.00 O ATOM 379 CB GLN A 24 3.216 2.563 2.663 1.00 0.00 C ATOM 380 CG GLN A 24 3.662 1.862 3.935 1.00 0.00 C ATOM 381 CD GLN A 24 4.609 0.708 3.682 1.00 0.00 C ATOM 382 OE1 GLN A 24 5.439 0.824 2.655 1.00 0.00 O flip ATOM 383 NE2 GLN A 24 4.610 -0.275 4.423 1.00 0.00 N flip ATOM 0 H GLN A 24 3.877 4.672 3.845 1.00 0.00 H new ATOM 0 HA GLN A 24 1.882 4.058 1.931 1.00 0.00 H new ATOM 0 HB2 GLN A 24 2.738 1.835 2.007 1.00 0.00 H new ATOM 0 HB3 GLN A 24 4.095 2.936 2.138 1.00 0.00 H new ATOM 0 HG2 GLN A 24 4.149 2.586 4.589 1.00 0.00 H new ATOM 0 HG3 GLN A 24 2.784 1.493 4.465 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.955 -0.326 5.203 1.00 0.00 H new ATOM 0 HE22 GLN A 24 5.266 -1.038 4.257 1.00 0.00 H new ATOM 392 N ARG A 25 1.257 3.382 5.082 1.00 0.00 N ATOM 393 CA ARG A 25 0.221 3.078 6.042 1.00 0.00 C ATOM 394 C ARG A 25 -0.869 4.136 5.962 1.00 0.00 C ATOM 395 O ARG A 25 -2.053 3.820 5.902 1.00 0.00 O ATOM 396 CB ARG A 25 0.828 3.047 7.448 1.00 0.00 C ATOM 397 CG ARG A 25 -0.079 3.645 8.504 1.00 0.00 C ATOM 398 CD ARG A 25 0.707 4.158 9.696 1.00 0.00 C ATOM 399 NE ARG A 25 -0.151 4.828 10.670 1.00 0.00 N ATOM 400 CZ ARG A 25 0.281 5.324 11.828 1.00 0.00 C ATOM 401 NH1 ARG A 25 1.551 5.178 12.190 1.00 0.00 N ATOM 402 NH2 ARG A 25 -0.565 5.958 12.626 1.00 0.00 N ATOM 0 H ARG A 25 2.135 3.686 5.503 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.215 2.104 5.821 1.00 0.00 H new ATOM 0 HB2 ARG A 25 1.055 2.015 7.716 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.773 3.590 7.441 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -0.654 4.462 8.069 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.795 2.893 8.837 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.220 3.326 10.177 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.475 4.851 9.353 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.142 4.922 10.450 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.202 4.684 11.580 1.00 0.00 H new ATOM 0 HH12 ARG A 25 1.875 5.560 13.078 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -1.542 6.064 12.352 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.240 6.340 13.514 1.00 0.00 H new ATOM 416 N LEU A 26 -0.442 5.392 5.948 1.00 0.00 N ATOM 417 CA LEU A 26 -1.356 6.525 5.908 1.00 0.00 C ATOM 418 C LEU A 26 -2.237 6.454 4.670 1.00 0.00 C ATOM 419 O LEU A 26 -3.428 6.756 4.725 1.00 0.00 O ATOM 420 CB LEU A 26 -0.556 7.826 5.942 1.00 0.00 C ATOM 421 CG LEU A 26 0.372 7.956 7.156 1.00 0.00 C ATOM 422 CD1 LEU A 26 1.261 9.181 7.044 1.00 0.00 C ATOM 423 CD2 LEU A 26 -0.439 8.008 8.443 1.00 0.00 C ATOM 0 H LEU A 26 0.544 5.653 5.964 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.009 6.494 6.780 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.040 7.898 5.032 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.249 8.667 5.936 1.00 0.00 H new ATOM 0 HG LEU A 26 1.014 7.076 7.179 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.906 9.244 7.920 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.875 9.104 6.146 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.642 10.076 6.985 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.235 8.100 9.294 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.109 8.867 8.416 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.025 7.094 8.541 1.00 0.00 H new ATOM 435 N ILE A 27 -1.641 6.032 3.562 1.00 0.00 N ATOM 436 CA ILE A 27 -2.391 5.755 2.347 1.00 0.00 C ATOM 437 C ILE A 27 -3.428 4.675 2.607 1.00 0.00 C ATOM 438 O ILE A 27 -4.620 4.899 2.432 1.00 0.00 O ATOM 439 CB ILE A 27 -1.469 5.284 1.207 1.00 0.00 C ATOM 440 CG1 ILE A 27 -0.512 6.393 0.799 1.00 0.00 C ATOM 441 CG2 ILE A 27 -2.282 4.820 0.005 1.00 0.00 C ATOM 442 CD1 ILE A 27 0.506 5.938 -0.215 1.00 0.00 C ATOM 0 H ILE A 27 -0.637 5.874 3.481 1.00 0.00 H new ATOM 0 HA ILE A 27 -2.877 6.684 2.048 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.887 4.439 1.574 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.082 7.226 0.387 1.00 0.00 H new ATOM 0 HG13 ILE A 27 0.004 6.766 1.684 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.607 4.493 -0.786 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -2.926 3.991 0.299 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.895 5.644 -0.359 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.163 6.770 -0.470 1.00 0.00 H new ATOM 0 HD12 ILE A 27 1.098 5.124 0.203 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.005 5.591 -1.113 1.00 0.00 H new ATOM 454 N THR A 28 -2.955 3.513 3.051 1.00 0.00 N ATOM 455 CA THR A 28 -3.814 2.356 3.273 1.00 0.00 C ATOM 456 C THR A 28 -4.994 2.693 4.196 1.00 0.00 C ATOM 457 O THR A 28 -6.096 2.189 3.999 1.00 0.00 O ATOM 458 CB THR A 28 -3.006 1.153 3.831 1.00 0.00 C ATOM 459 OG1 THR A 28 -3.372 -0.041 3.133 1.00 0.00 O ATOM 460 CG2 THR A 28 -3.228 0.944 5.328 1.00 0.00 C ATOM 0 H THR A 28 -1.971 3.349 3.265 1.00 0.00 H new ATOM 0 HA THR A 28 -4.223 2.070 2.304 1.00 0.00 H new ATOM 0 HB THR A 28 -1.950 1.378 3.679 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.859 -0.797 3.487 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.640 0.091 5.667 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.917 1.837 5.870 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.285 0.755 5.516 1.00 0.00 H new ATOM 468 N GLN A 29 -4.759 3.557 5.184 1.00 0.00 N ATOM 469 CA GLN A 29 -5.809 3.978 6.106 1.00 0.00 C ATOM 470 C GLN A 29 -6.913 4.694 5.352 1.00 0.00 C ATOM 471 O GLN A 29 -8.066 4.271 5.347 1.00 0.00 O ATOM 472 CB GLN A 29 -5.248 4.930 7.164 1.00 0.00 C ATOM 473 CG GLN A 29 -4.148 4.335 8.017 1.00 0.00 C ATOM 474 CD GLN A 29 -4.639 3.225 8.922 1.00 0.00 C ATOM 475 OE1 GLN A 29 -5.071 3.476 10.047 1.00 0.00 O ATOM 476 NE2 GLN A 29 -4.566 1.995 8.447 1.00 0.00 N ATOM 0 H GLN A 29 -3.848 3.979 5.365 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.206 3.086 6.590 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.865 5.821 6.667 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.062 5.252 7.814 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -3.362 3.947 7.369 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.701 5.122 8.625 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.201 1.832 7.509 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.874 1.208 9.018 1.00 0.00 H new ATOM 485 N LYS A 30 -6.531 5.784 4.715 1.00 0.00 N ATOM 486 CA LYS A 30 -7.462 6.615 3.969 1.00 0.00 C ATOM 487 C LYS A 30 -8.108 5.824 2.833 1.00 0.00 C ATOM 488 O LYS A 30 -9.320 5.881 2.644 1.00 0.00 O ATOM 489 CB LYS A 30 -6.726 7.838 3.417 1.00 0.00 C ATOM 490 CG LYS A 30 -5.959 8.608 4.481 1.00 0.00 C ATOM 491 CD LYS A 30 -5.122 9.723 3.877 1.00 0.00 C ATOM 492 CE LYS A 30 -4.260 10.409 4.926 1.00 0.00 C ATOM 493 NZ LYS A 30 -5.069 11.098 5.966 1.00 0.00 N ATOM 0 H LYS A 30 -5.568 6.120 4.699 1.00 0.00 H new ATOM 0 HA LYS A 30 -8.255 6.945 4.640 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -6.032 7.516 2.640 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.447 8.505 2.944 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.660 9.029 5.201 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.312 7.924 5.029 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.485 9.316 3.092 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.777 10.457 3.407 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.616 9.670 5.402 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -3.608 11.134 4.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.438 11.619 6.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.726 11.763 5.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.609 10.394 6.508 1.00 0.00 H new ATOM 507 N GLU A 31 -7.290 5.073 2.102 1.00 0.00 N ATOM 508 CA GLU A 31 -7.751 4.299 0.953 1.00 0.00 C ATOM 509 C GLU A 31 -8.914 3.378 1.301 1.00 0.00 C ATOM 510 O GLU A 31 -9.956 3.438 0.654 1.00 0.00 O ATOM 511 CB GLU A 31 -6.597 3.484 0.369 1.00 0.00 C ATOM 512 CG GLU A 31 -5.683 4.292 -0.535 1.00 0.00 C ATOM 513 CD GLU A 31 -6.249 4.464 -1.927 1.00 0.00 C ATOM 514 OE1 GLU A 31 -5.677 3.887 -2.877 1.00 0.00 O ATOM 515 OE2 GLU A 31 -7.282 5.148 -2.087 1.00 0.00 O ATOM 0 H GLU A 31 -6.291 4.983 2.288 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.111 5.011 0.211 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.009 3.064 1.185 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.004 2.645 -0.195 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.514 5.273 -0.091 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.713 3.799 -0.599 1.00 0.00 H new ATOM 522 N GLU A 32 -8.748 2.540 2.324 1.00 0.00 N ATOM 523 CA GLU A 32 -9.788 1.576 2.688 1.00 0.00 C ATOM 524 C GLU A 32 -11.068 2.286 3.123 1.00 0.00 C ATOM 525 O GLU A 32 -12.174 1.786 2.903 1.00 0.00 O ATOM 526 CB GLU A 32 -9.307 0.617 3.784 1.00 0.00 C ATOM 527 CG GLU A 32 -8.766 1.307 5.024 1.00 0.00 C ATOM 528 CD GLU A 32 -8.402 0.332 6.117 1.00 0.00 C ATOM 529 OE1 GLU A 32 -9.141 0.253 7.121 1.00 0.00 O ATOM 530 OE2 GLU A 32 -7.381 -0.370 5.980 1.00 0.00 O ATOM 0 H GLU A 32 -7.914 2.508 2.910 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.008 0.986 1.798 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.135 -0.029 4.074 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.530 -0.027 3.372 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.886 1.892 4.756 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -9.512 2.008 5.400 1.00 0.00 H new ATOM 537 N LYS A 33 -10.918 3.456 3.725 1.00 0.00 N ATOM 538 CA LYS A 33 -12.066 4.250 4.134 1.00 0.00 C ATOM 539 C LYS A 33 -12.750 4.842 2.908 1.00 0.00 C ATOM 540 O LYS A 33 -13.975 4.788 2.770 1.00 0.00 O ATOM 541 CB LYS A 33 -11.629 5.364 5.083 1.00 0.00 C ATOM 542 CG LYS A 33 -10.902 4.855 6.314 1.00 0.00 C ATOM 543 CD LYS A 33 -10.444 5.991 7.210 1.00 0.00 C ATOM 544 CE LYS A 33 -11.616 6.667 7.901 1.00 0.00 C ATOM 545 NZ LYS A 33 -12.393 5.710 8.731 1.00 0.00 N ATOM 0 H LYS A 33 -10.014 3.876 3.941 1.00 0.00 H new ATOM 0 HA LYS A 33 -12.772 3.605 4.657 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.979 6.055 4.546 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.506 5.930 5.396 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.560 4.192 6.876 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.039 4.264 6.008 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.751 5.607 7.959 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -9.898 6.725 6.617 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -11.249 7.478 8.529 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -12.271 7.114 7.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -12.978 6.236 9.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -13.007 5.137 8.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.739 5.086 9.246 1.00 0.00 H new ATOM 559 N ILE A 34 -11.941 5.389 2.009 1.00 0.00 N ATOM 560 CA ILE A 34 -12.444 5.972 0.776 1.00 0.00 C ATOM 561 C ILE A 34 -13.061 4.896 -0.120 1.00 0.00 C ATOM 562 O ILE A 34 -13.961 5.178 -0.901 1.00 0.00 O ATOM 563 CB ILE A 34 -11.331 6.728 0.012 1.00 0.00 C ATOM 564 CG1 ILE A 34 -10.832 7.911 0.838 1.00 0.00 C ATOM 565 CG2 ILE A 34 -11.845 7.211 -1.333 1.00 0.00 C ATOM 566 CD1 ILE A 34 -9.428 8.354 0.474 1.00 0.00 C ATOM 0 H ILE A 34 -10.928 5.440 2.114 1.00 0.00 H new ATOM 0 HA ILE A 34 -13.217 6.691 1.046 1.00 0.00 H new ATOM 0 HB ILE A 34 -10.501 6.042 -0.157 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.515 8.750 0.706 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.857 7.643 1.894 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -11.050 7.741 -1.858 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -12.166 6.356 -1.928 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -12.689 7.883 -1.180 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.139 9.198 1.100 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.733 7.529 0.633 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.401 8.654 -0.574 1.00 0.00 H new ATOM 578 N ARG A 35 -12.575 3.662 0.005 1.00 0.00 N ATOM 579 CA ARG A 35 -13.149 2.526 -0.721 1.00 0.00 C ATOM 580 C ARG A 35 -14.646 2.439 -0.485 1.00 0.00 C ATOM 581 O ARG A 35 -15.427 2.300 -1.425 1.00 0.00 O ATOM 582 CB ARG A 35 -12.508 1.202 -0.294 1.00 0.00 C ATOM 583 CG ARG A 35 -11.065 1.030 -0.735 1.00 0.00 C ATOM 584 CD ARG A 35 -10.929 1.094 -2.248 1.00 0.00 C ATOM 585 NE ARG A 35 -9.543 0.923 -2.675 1.00 0.00 N ATOM 586 CZ ARG A 35 -8.660 1.918 -2.752 1.00 0.00 C ATOM 587 NH1 ARG A 35 -9.015 3.150 -2.407 1.00 0.00 N ATOM 588 NH2 ARG A 35 -7.419 1.682 -3.164 1.00 0.00 N ATOM 0 H ARG A 35 -11.784 3.421 0.603 1.00 0.00 H new ATOM 0 HA ARG A 35 -12.949 2.693 -1.779 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -12.554 1.124 0.792 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -13.099 0.380 -0.698 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -10.450 1.807 -0.281 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -10.686 0.073 -0.375 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -11.547 0.320 -2.702 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.304 2.052 -2.607 1.00 0.00 H new ATOM 0 HE ARG A 35 -9.232 -0.015 -2.930 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -9.964 3.335 -2.083 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -8.339 3.911 -2.466 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -7.139 0.736 -3.423 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.747 2.447 -3.221 1.00 0.00 H new ATOM 602 N VAL A 36 -15.038 2.536 0.777 1.00 0.00 N ATOM 603 CA VAL A 36 -16.442 2.450 1.147 1.00 0.00 C ATOM 604 C VAL A 36 -17.216 3.637 0.589 1.00 0.00 C ATOM 605 O VAL A 36 -18.341 3.496 0.111 1.00 0.00 O ATOM 606 CB VAL A 36 -16.617 2.400 2.670 1.00 0.00 C ATOM 607 CG1 VAL A 36 -18.051 2.044 3.023 1.00 0.00 C ATOM 608 CG2 VAL A 36 -15.639 1.414 3.283 1.00 0.00 C ATOM 0 H VAL A 36 -14.402 2.674 1.562 1.00 0.00 H new ATOM 0 HA VAL A 36 -16.835 1.527 0.721 1.00 0.00 H new ATOM 0 HB VAL A 36 -16.402 3.386 3.083 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -18.162 2.012 4.107 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -18.724 2.796 2.612 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -18.297 1.068 2.604 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -15.776 1.390 4.364 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -15.819 0.420 2.873 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -14.619 1.722 3.053 1.00 0.00 H new ATOM 618 N LEU A 37 -16.597 4.807 0.646 1.00 0.00 N ATOM 619 CA LEU A 37 -17.180 6.009 0.063 1.00 0.00 C ATOM 620 C LEU A 37 -17.341 5.844 -1.433 1.00 0.00 C ATOM 621 O LEU A 37 -18.356 6.225 -2.003 1.00 0.00 O ATOM 622 CB LEU A 37 -16.308 7.228 0.361 1.00 0.00 C ATOM 623 CG LEU A 37 -16.733 8.042 1.582 1.00 0.00 C ATOM 624 CD1 LEU A 37 -17.942 8.899 1.243 1.00 0.00 C ATOM 625 CD2 LEU A 37 -17.038 7.121 2.752 1.00 0.00 C ATOM 0 H LEU A 37 -15.690 4.951 1.090 1.00 0.00 H new ATOM 0 HA LEU A 37 -18.162 6.163 0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.280 6.894 0.505 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -16.312 7.881 -0.512 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.913 8.699 1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -18.237 9.475 2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -17.689 9.579 0.430 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -18.768 8.258 0.936 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -17.339 7.716 3.614 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -17.846 6.442 2.479 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -16.148 6.544 3.002 1.00 0.00 H new ATOM 637 N ARG A 38 -16.332 5.257 -2.051 1.00 0.00 N ATOM 638 CA ARG A 38 -16.337 4.998 -3.473 1.00 0.00 C ATOM 639 C ARG A 38 -17.456 4.024 -3.829 1.00 0.00 C ATOM 640 O ARG A 38 -18.123 4.197 -4.838 1.00 0.00 O ATOM 641 CB ARG A 38 -14.952 4.487 -3.888 1.00 0.00 C ATOM 642 CG ARG A 38 -14.954 3.319 -4.848 1.00 0.00 C ATOM 643 CD ARG A 38 -13.532 2.901 -5.170 1.00 0.00 C ATOM 644 NE ARG A 38 -13.476 1.711 -6.012 1.00 0.00 N ATOM 645 CZ ARG A 38 -12.346 1.074 -6.321 1.00 0.00 C ATOM 646 NH1 ARG A 38 -11.174 1.556 -5.923 1.00 0.00 N ATOM 647 NH2 ARG A 38 -12.389 -0.036 -7.041 1.00 0.00 N ATOM 0 H ARG A 38 -15.484 4.947 -1.576 1.00 0.00 H new ATOM 0 HA ARG A 38 -16.537 5.915 -4.028 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -14.401 5.310 -4.344 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -14.406 4.197 -2.990 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -15.497 2.481 -4.411 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -15.476 3.593 -5.765 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -13.020 3.722 -5.673 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -12.994 2.711 -4.242 1.00 0.00 H new ATOM 0 HE ARG A 38 -14.352 1.345 -6.386 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.135 2.417 -5.378 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -10.313 1.065 -6.162 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -13.286 -0.403 -7.359 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -11.525 -0.524 -7.278 1.00 0.00 H new ATOM 661 N GLN A 39 -17.669 3.021 -2.979 1.00 0.00 N ATOM 662 CA GLN A 39 -18.807 2.117 -3.111 1.00 0.00 C ATOM 663 C GLN A 39 -20.122 2.881 -3.108 1.00 0.00 C ATOM 664 O GLN A 39 -21.018 2.604 -3.904 1.00 0.00 O ATOM 665 CB GLN A 39 -18.801 1.121 -1.966 1.00 0.00 C ATOM 666 CG GLN A 39 -17.697 0.099 -2.076 1.00 0.00 C ATOM 667 CD GLN A 39 -18.001 -0.938 -3.139 1.00 0.00 C ATOM 668 OE1 GLN A 39 -19.161 -1.271 -3.379 1.00 0.00 O ATOM 669 NE2 GLN A 39 -16.973 -1.441 -3.795 1.00 0.00 N ATOM 0 H GLN A 39 -17.062 2.814 -2.186 1.00 0.00 H new ATOM 0 HA GLN A 39 -18.716 1.594 -4.063 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -18.697 1.660 -1.024 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -19.762 0.607 -1.934 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -16.759 0.600 -2.314 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -17.560 -0.395 -1.114 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -16.026 -1.140 -3.567 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -17.126 -2.131 -4.530 1.00 0.00 H new ATOM 678 N ARG A 40 -20.232 3.833 -2.196 1.00 0.00 N ATOM 679 CA ARG A 40 -21.383 4.709 -2.140 1.00 0.00 C ATOM 680 C ARG A 40 -21.525 5.464 -3.455 1.00 0.00 C ATOM 681 O ARG A 40 -22.612 5.556 -4.027 1.00 0.00 O ATOM 682 CB ARG A 40 -21.222 5.686 -0.982 1.00 0.00 C ATOM 683 CG ARG A 40 -21.199 5.012 0.382 1.00 0.00 C ATOM 684 CD ARG A 40 -21.068 6.021 1.512 1.00 0.00 C ATOM 685 NE ARG A 40 -22.253 6.870 1.623 1.00 0.00 N ATOM 686 CZ ARG A 40 -22.270 8.070 2.199 1.00 0.00 C ATOM 687 NH1 ARG A 40 -21.155 8.609 2.677 1.00 0.00 N ATOM 688 NH2 ARG A 40 -23.412 8.742 2.288 1.00 0.00 N ATOM 0 H ARG A 40 -19.529 4.017 -1.480 1.00 0.00 H new ATOM 0 HA ARG A 40 -22.284 4.116 -1.982 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -20.298 6.247 -1.117 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -22.039 6.407 -1.009 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -22.113 4.433 0.516 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -20.367 4.309 0.425 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -20.909 5.494 2.453 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -20.189 6.644 1.343 1.00 0.00 H new ATOM 0 HE ARG A 40 -23.127 6.519 1.232 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -20.272 8.103 2.605 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -21.181 9.529 3.116 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -24.272 8.338 1.916 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -23.430 9.662 2.729 1.00 0.00 H new ATOM 702 N LEU A 41 -20.405 5.988 -3.932 1.00 0.00 N ATOM 703 CA LEU A 41 -20.361 6.687 -5.212 1.00 0.00 C ATOM 704 C LEU A 41 -20.731 5.748 -6.362 1.00 0.00 C ATOM 705 O LEU A 41 -21.237 6.193 -7.384 1.00 0.00 O ATOM 706 CB LEU A 41 -18.972 7.271 -5.483 1.00 0.00 C ATOM 707 CG LEU A 41 -18.275 7.956 -4.308 1.00 0.00 C ATOM 708 CD1 LEU A 41 -16.917 8.474 -4.744 1.00 0.00 C ATOM 709 CD2 LEU A 41 -19.115 9.089 -3.741 1.00 0.00 C ATOM 0 H LEU A 41 -19.508 5.943 -3.449 1.00 0.00 H new ATOM 0 HA LEU A 41 -21.086 7.499 -5.153 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -18.328 6.467 -5.839 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -19.059 7.993 -6.295 1.00 0.00 H new ATOM 0 HG LEU A 41 -18.143 7.217 -3.517 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -16.426 8.961 -3.902 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -16.304 7.642 -5.090 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -17.044 9.192 -5.554 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -18.587 9.552 -2.907 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -19.292 9.834 -4.517 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -20.069 8.695 -3.392 1.00 0.00 H new ATOM 721 N VAL A 42 -20.456 4.455 -6.199 1.00 0.00 N ATOM 722 CA VAL A 42 -20.806 3.453 -7.206 1.00 0.00 C ATOM 723 C VAL A 42 -22.312 3.438 -7.443 1.00 0.00 C ATOM 724 O VAL A 42 -22.771 3.523 -8.583 1.00 0.00 O ATOM 725 CB VAL A 42 -20.332 2.037 -6.794 1.00 0.00 C ATOM 726 CG1 VAL A 42 -20.814 0.984 -7.777 1.00 0.00 C ATOM 727 CG2 VAL A 42 -18.818 1.985 -6.678 1.00 0.00 C ATOM 0 H VAL A 42 -19.990 4.075 -5.375 1.00 0.00 H new ATOM 0 HA VAL A 42 -20.295 3.729 -8.128 1.00 0.00 H new ATOM 0 HB VAL A 42 -20.767 1.819 -5.819 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -20.464 0.002 -7.459 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -21.904 0.988 -7.809 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -20.421 1.205 -8.769 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -18.510 0.981 -6.388 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.371 2.238 -7.639 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -18.486 2.699 -5.924 1.00 0.00 H new ATOM 737 N GLU A 43 -23.075 3.362 -6.359 1.00 0.00 N ATOM 738 CA GLU A 43 -24.529 3.373 -6.449 1.00 0.00 C ATOM 739 C GLU A 43 -25.033 4.746 -6.888 1.00 0.00 C ATOM 740 O GLU A 43 -26.075 4.860 -7.533 1.00 0.00 O ATOM 741 CB GLU A 43 -25.157 2.969 -5.113 1.00 0.00 C ATOM 742 CG GLU A 43 -24.871 1.526 -4.724 1.00 0.00 C ATOM 743 CD GLU A 43 -25.619 1.098 -3.479 1.00 0.00 C ATOM 744 OE1 GLU A 43 -24.985 0.964 -2.412 1.00 0.00 O ATOM 745 OE2 GLU A 43 -26.851 0.900 -3.561 1.00 0.00 O ATOM 0 H GLU A 43 -22.711 3.292 -5.409 1.00 0.00 H new ATOM 0 HA GLU A 43 -24.829 2.643 -7.201 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -24.784 3.629 -4.330 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -26.236 3.116 -5.167 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -25.144 0.870 -5.551 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -23.800 1.403 -4.560 1.00 0.00 H new ATOM 752 N ARG A 44 -24.283 5.787 -6.540 1.00 0.00 N ATOM 753 CA ARG A 44 -24.593 7.141 -6.991 1.00 0.00 C ATOM 754 C ARG A 44 -24.246 7.305 -8.465 1.00 0.00 C ATOM 755 O ARG A 44 -24.730 8.211 -9.141 1.00 0.00 O ATOM 756 CB ARG A 44 -23.830 8.172 -6.162 1.00 0.00 C ATOM 757 CG ARG A 44 -24.226 8.176 -4.699 1.00 0.00 C ATOM 758 CD ARG A 44 -23.521 9.284 -3.931 1.00 0.00 C ATOM 759 NE ARG A 44 -24.008 9.387 -2.555 1.00 0.00 N ATOM 760 CZ ARG A 44 -23.621 10.329 -1.693 1.00 0.00 C ATOM 761 NH1 ARG A 44 -22.727 11.241 -2.056 1.00 0.00 N ATOM 762 NH2 ARG A 44 -24.130 10.362 -0.467 1.00 0.00 N ATOM 0 H ARG A 44 -23.456 5.720 -5.947 1.00 0.00 H new ATOM 0 HA ARG A 44 -25.662 7.305 -6.859 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -22.761 7.973 -6.242 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -24.002 9.164 -6.581 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -25.305 8.303 -4.614 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -23.983 7.212 -4.253 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -22.448 9.095 -3.923 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -23.673 10.234 -4.442 1.00 0.00 H new ATOM 0 HE ARG A 44 -24.686 8.695 -2.235 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -22.333 11.223 -2.997 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -22.434 11.960 -1.394 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -24.819 9.666 -0.182 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -23.832 11.083 0.190 1.00 0.00 H new ATOM 776 N GLY A 45 -23.384 6.425 -8.939 1.00 0.00 N ATOM 777 CA GLY A 45 -23.014 6.397 -10.339 1.00 0.00 C ATOM 778 C GLY A 45 -21.895 7.360 -10.675 1.00 0.00 C ATOM 779 O GLY A 45 -21.842 7.891 -11.781 1.00 0.00 O ATOM 0 H GLY A 45 -22.924 5.715 -8.368 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -22.709 5.386 -10.608 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -23.887 6.638 -10.945 1.00 0.00 H new ATOM 783 N ASP A 46 -20.985 7.573 -9.729 1.00 0.00 N ATOM 784 CA ASP A 46 -19.851 8.471 -9.949 1.00 0.00 C ATOM 785 C ASP A 46 -18.935 7.929 -11.039 1.00 0.00 C ATOM 786 O ASP A 46 -18.310 8.691 -11.774 1.00 0.00 O ATOM 787 CB ASP A 46 -19.058 8.675 -8.656 1.00 0.00 C ATOM 788 CG ASP A 46 -17.847 9.570 -8.852 1.00 0.00 C ATOM 789 OD1 ASP A 46 -18.023 10.802 -8.979 1.00 0.00 O ATOM 790 OD2 ASP A 46 -16.712 9.047 -8.877 1.00 0.00 O ATOM 0 H ASP A 46 -21.008 7.139 -8.806 1.00 0.00 H new ATOM 0 HA ASP A 46 -20.248 9.434 -10.271 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -19.710 9.111 -7.899 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -18.732 7.706 -8.277 1.00 0.00 H new ATOM 795 N ALA A 47 -18.885 6.608 -11.161 1.00 0.00 N ATOM 796 CA ALA A 47 -18.095 5.963 -12.203 1.00 0.00 C ATOM 797 C ALA A 47 -18.633 6.328 -13.585 1.00 0.00 C ATOM 798 O ALA A 47 -17.899 6.325 -14.573 1.00 0.00 O ATOM 799 CB ALA A 47 -18.093 4.453 -12.011 1.00 0.00 C ATOM 0 H ALA A 47 -19.383 5.961 -10.550 1.00 0.00 H new ATOM 0 HA ALA A 47 -17.068 6.320 -12.129 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -17.499 3.987 -12.797 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -17.663 4.210 -11.039 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -19.116 4.079 -12.059 1.00 0.00 H new ATOM 805 N LYS A 48 -19.919 6.662 -13.635 1.00 0.00 N ATOM 806 CA LYS A 48 -20.564 7.071 -14.875 1.00 0.00 C ATOM 807 C LYS A 48 -20.502 8.585 -15.039 1.00 0.00 C ATOM 808 O LYS A 48 -20.871 9.124 -16.082 1.00 0.00 O ATOM 809 CB LYS A 48 -22.021 6.603 -14.902 1.00 0.00 C ATOM 810 CG LYS A 48 -22.166 5.096 -15.015 1.00 0.00 C ATOM 811 CD LYS A 48 -21.584 4.586 -16.323 1.00 0.00 C ATOM 812 CE LYS A 48 -21.564 3.075 -16.365 1.00 0.00 C ATOM 813 NZ LYS A 48 -20.958 2.560 -17.622 1.00 0.00 N ATOM 0 H LYS A 48 -20.537 6.657 -12.824 1.00 0.00 H new ATOM 0 HA LYS A 48 -20.029 6.607 -15.704 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -22.521 6.942 -13.995 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -22.531 7.074 -15.742 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -21.661 4.615 -14.177 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -23.219 4.823 -14.951 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -22.172 4.967 -17.158 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -20.571 4.969 -16.446 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -21.003 2.696 -15.511 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -22.582 2.696 -16.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -20.964 1.520 -17.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -21.508 2.900 -18.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -19.978 2.900 -17.699 1.00 0.00 H new ATOM 827 N GLY A 49 -20.021 9.260 -14.000 1.00 0.00 N ATOM 828 CA GLY A 49 -19.916 10.707 -14.025 1.00 0.00 C ATOM 829 C GLY A 49 -18.747 11.176 -14.863 1.00 0.00 C ATOM 830 O GLY A 49 -18.659 12.349 -15.224 1.00 0.00 O ATOM 0 H GLY A 49 -19.700 8.826 -13.135 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -20.839 11.131 -14.421 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -19.805 11.080 -13.007 1.00 0.00 H new ATOM 834 N THR A 50 -17.845 10.256 -15.166 1.00 0.00 N ATOM 835 CA THR A 50 -16.731 10.537 -16.042 1.00 0.00 C ATOM 836 C THR A 50 -16.776 9.594 -17.236 1.00 0.00 C ATOM 837 O THR A 50 -16.538 8.391 -17.103 1.00 0.00 O ATOM 838 CB THR A 50 -15.378 10.390 -15.320 1.00 0.00 C ATOM 839 OG1 THR A 50 -15.399 11.123 -14.084 1.00 0.00 O ATOM 840 CG2 THR A 50 -14.243 10.904 -16.197 1.00 0.00 C ATOM 0 H THR A 50 -17.868 9.300 -14.811 1.00 0.00 H new ATOM 0 HA THR A 50 -16.819 11.572 -16.373 1.00 0.00 H new ATOM 0 HB THR A 50 -15.212 9.333 -15.113 1.00 0.00 H new ATOM 0 HG1 THR A 50 -14.536 11.023 -13.630 1.00 0.00 H new ATOM 0 HG21 THR A 50 -13.296 10.792 -15.669 1.00 0.00 H new ATOM 0 HG22 THR A 50 -14.212 10.332 -17.124 1.00 0.00 H new ATOM 0 HG23 THR A 50 -14.408 11.957 -16.426 1.00 0.00 H new ATOM 848 N GLU A 51 -17.127 10.142 -18.384 1.00 0.00 N ATOM 849 CA GLU A 51 -17.196 9.376 -19.623 1.00 0.00 C ATOM 850 C GLU A 51 -15.794 9.082 -20.163 1.00 0.00 C ATOM 851 O GLU A 51 -14.809 9.211 -19.432 1.00 0.00 O ATOM 852 CB GLU A 51 -18.037 10.137 -20.655 1.00 0.00 C ATOM 853 CG GLU A 51 -17.548 11.544 -20.931 1.00 0.00 C ATOM 854 CD GLU A 51 -18.500 12.328 -21.810 1.00 0.00 C ATOM 855 OE1 GLU A 51 -18.384 12.241 -23.050 1.00 0.00 O ATOM 856 OE2 GLU A 51 -19.368 13.042 -21.263 1.00 0.00 O ATOM 0 H GLU A 51 -17.372 11.127 -18.488 1.00 0.00 H new ATOM 0 HA GLU A 51 -17.675 8.418 -19.420 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -18.043 9.575 -21.589 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -19.068 10.184 -20.305 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -17.414 12.070 -19.986 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -16.570 11.498 -21.411 1.00 0.00 H new ATOM 863 N LEU A 52 -15.723 8.647 -21.427 1.00 0.00 N ATOM 864 CA LEU A 52 -14.457 8.348 -22.113 1.00 0.00 C ATOM 865 C LEU A 52 -13.876 7.017 -21.647 1.00 0.00 C ATOM 866 O LEU A 52 -12.799 6.616 -22.094 1.00 0.00 O ATOM 867 CB LEU A 52 -13.419 9.462 -21.905 1.00 0.00 C ATOM 868 CG LEU A 52 -13.884 10.869 -22.272 1.00 0.00 C ATOM 869 CD1 LEU A 52 -13.667 11.814 -21.100 1.00 0.00 C ATOM 870 CD2 LEU A 52 -13.144 11.368 -23.504 1.00 0.00 C ATOM 0 H LEU A 52 -16.547 8.491 -22.008 1.00 0.00 H new ATOM 0 HA LEU A 52 -14.686 8.283 -23.177 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -13.114 9.460 -20.858 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.534 9.225 -22.495 1.00 0.00 H new ATOM 0 HG LEU A 52 -14.949 10.837 -22.501 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -14.002 12.815 -21.373 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -14.236 11.463 -20.239 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -12.607 11.843 -20.847 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -13.487 12.372 -23.753 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -12.073 11.390 -23.301 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -13.341 10.700 -24.342 1.00 0.00 H new ATOM 882 N ASN A 53 -14.618 6.341 -20.757 1.00 0.00 N ATOM 883 CA ASN A 53 -14.213 5.067 -20.141 1.00 0.00 C ATOM 884 C ASN A 53 -12.732 5.059 -19.741 1.00 0.00 C ATOM 885 O ASN A 53 -12.161 6.112 -19.450 1.00 0.00 O ATOM 886 CB ASN A 53 -14.577 3.857 -21.031 1.00 0.00 C ATOM 887 CG ASN A 53 -13.939 3.869 -22.408 1.00 0.00 C ATOM 888 OD1 ASN A 53 -12.826 3.384 -22.591 1.00 0.00 O ATOM 889 ND2 ASN A 53 -14.655 4.394 -23.389 1.00 0.00 N ATOM 0 H ASN A 53 -15.530 6.669 -20.440 1.00 0.00 H new ATOM 0 HA ASN A 53 -14.785 4.970 -19.218 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.282 2.943 -20.516 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -15.660 3.821 -21.147 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -14.286 4.406 -24.340 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.576 4.787 -23.194 1.00 0.00 H new TER 896 ASN A 53 ATOM 897 N GLY B 84 19.333 -14.875 -15.167 1.00 0.00 N ATOM 898 CA GLY B 84 20.136 -15.689 -14.284 1.00 0.00 C ATOM 899 C GLY B 84 20.702 -14.904 -13.118 1.00 0.00 C ATOM 900 O GLY B 84 20.006 -14.672 -12.129 1.00 0.00 O ATOM 0 HA2 GLY B 84 19.530 -16.511 -13.903 1.00 0.00 H new ATOM 0 HA3 GLY B 84 20.955 -16.132 -14.850 1.00 0.00 H new ATOM 904 N PRO B 85 21.963 -14.463 -13.216 1.00 0.00 N ATOM 905 CA PRO B 85 22.656 -13.794 -12.116 1.00 0.00 C ATOM 906 C PRO B 85 22.221 -12.342 -11.923 1.00 0.00 C ATOM 907 O PRO B 85 21.262 -11.881 -12.549 1.00 0.00 O ATOM 908 CB PRO B 85 24.122 -13.868 -12.540 1.00 0.00 C ATOM 909 CG PRO B 85 24.073 -13.836 -14.025 1.00 0.00 C ATOM 910 CD PRO B 85 22.820 -14.580 -14.412 1.00 0.00 C ATOM 0 HA PRO B 85 22.443 -14.266 -11.157 1.00 0.00 H new ATOM 0 HB2 PRO B 85 24.695 -13.030 -12.142 1.00 0.00 H new ATOM 0 HB3 PRO B 85 24.596 -14.780 -12.177 1.00 0.00 H new ATOM 0 HG2 PRO B 85 24.048 -12.810 -14.393 1.00 0.00 H new ATOM 0 HG3 PRO B 85 24.956 -14.308 -14.455 1.00 0.00 H new ATOM 0 HD2 PRO B 85 22.347 -14.139 -15.289 1.00 0.00 H new ATOM 0 HD3 PRO B 85 23.031 -15.622 -14.654 1.00 0.00 H new ATOM 918 N LEU B 86 22.933 -11.651 -11.037 1.00 0.00 N ATOM 919 CA LEU B 86 22.653 -10.261 -10.670 1.00 0.00 C ATOM 920 C LEU B 86 22.288 -9.393 -11.878 1.00 0.00 C ATOM 921 O LEU B 86 23.108 -9.134 -12.758 1.00 0.00 O ATOM 922 CB LEU B 86 23.856 -9.654 -9.917 1.00 0.00 C ATOM 923 CG LEU B 86 25.136 -9.381 -10.735 1.00 0.00 C ATOM 924 CD1 LEU B 86 26.180 -8.704 -9.865 1.00 0.00 C ATOM 925 CD2 LEU B 86 25.714 -10.658 -11.327 1.00 0.00 C ATOM 0 H LEU B 86 23.734 -12.045 -10.544 1.00 0.00 H new ATOM 0 HA LEU B 86 21.782 -10.274 -10.014 1.00 0.00 H new ATOM 0 HB2 LEU B 86 23.535 -8.714 -9.469 1.00 0.00 H new ATOM 0 HB3 LEU B 86 24.115 -10.325 -9.098 1.00 0.00 H new ATOM 0 HG LEU B 86 24.861 -8.723 -11.559 1.00 0.00 H new ATOM 0 HD11 LEU B 86 27.078 -8.517 -10.454 1.00 0.00 H new ATOM 0 HD12 LEU B 86 25.786 -7.758 -9.493 1.00 0.00 H new ATOM 0 HD13 LEU B 86 26.426 -9.350 -9.023 1.00 0.00 H new ATOM 0 HD21 LEU B 86 26.614 -10.421 -11.895 1.00 0.00 H new ATOM 0 HD22 LEU B 86 25.964 -11.351 -10.524 1.00 0.00 H new ATOM 0 HD23 LEU B 86 24.979 -11.118 -11.987 1.00 0.00 H new ATOM 937 N GLY B 87 21.037 -8.963 -11.915 1.00 0.00 N ATOM 938 CA GLY B 87 20.587 -8.082 -12.970 1.00 0.00 C ATOM 939 C GLY B 87 20.313 -6.689 -12.450 1.00 0.00 C ATOM 940 O GLY B 87 20.884 -5.715 -12.934 1.00 0.00 O ATOM 0 H GLY B 87 20.323 -9.210 -11.230 1.00 0.00 H new ATOM 0 HA2 GLY B 87 21.343 -8.037 -13.754 1.00 0.00 H new ATOM 0 HA3 GLY B 87 19.682 -8.487 -13.422 1.00 0.00 H new ATOM 944 N SER B 88 19.448 -6.603 -11.449 1.00 0.00 N ATOM 945 CA SER B 88 19.109 -5.332 -10.829 1.00 0.00 C ATOM 946 C SER B 88 20.082 -5.006 -9.695 1.00 0.00 C ATOM 947 O SER B 88 20.378 -3.838 -9.440 1.00 0.00 O ATOM 948 CB SER B 88 17.676 -5.385 -10.296 1.00 0.00 C ATOM 949 OG SER B 88 16.779 -5.827 -11.304 1.00 0.00 O ATOM 0 H SER B 88 18.965 -7.407 -11.047 1.00 0.00 H new ATOM 0 HA SER B 88 19.185 -4.545 -11.580 1.00 0.00 H new ATOM 0 HB2 SER B 88 17.627 -6.057 -9.439 1.00 0.00 H new ATOM 0 HB3 SER B 88 17.377 -4.397 -9.945 1.00 0.00 H new ATOM 0 HG SER B 88 15.869 -5.855 -10.942 1.00 0.00 H new ATOM 955 N ARG B 89 20.579 -6.047 -9.026 1.00 0.00 N ATOM 956 CA ARG B 89 21.536 -5.877 -7.930 1.00 0.00 C ATOM 957 C ARG B 89 22.801 -5.169 -8.412 1.00 0.00 C ATOM 958 O ARG B 89 23.051 -4.020 -8.051 1.00 0.00 O ATOM 959 CB ARG B 89 21.916 -7.231 -7.317 1.00 0.00 C ATOM 960 CG ARG B 89 20.964 -7.738 -6.240 1.00 0.00 C ATOM 961 CD ARG B 89 19.636 -8.212 -6.806 1.00 0.00 C ATOM 962 NE ARG B 89 18.852 -8.938 -5.805 1.00 0.00 N ATOM 963 CZ ARG B 89 17.782 -9.683 -6.086 1.00 0.00 C ATOM 964 NH1 ARG B 89 17.320 -9.748 -7.328 1.00 0.00 N ATOM 965 NH2 ARG B 89 17.167 -10.361 -5.123 1.00 0.00 N ATOM 0 H ARG B 89 20.335 -7.018 -9.223 1.00 0.00 H new ATOM 0 HA ARG B 89 21.052 -5.264 -7.169 1.00 0.00 H new ATOM 0 HB2 ARG B 89 21.968 -7.973 -8.114 1.00 0.00 H new ATOM 0 HB3 ARG B 89 22.916 -7.152 -6.890 1.00 0.00 H new ATOM 0 HG2 ARG B 89 21.437 -8.558 -5.700 1.00 0.00 H new ATOM 0 HG3 ARG B 89 20.783 -6.942 -5.517 1.00 0.00 H new ATOM 0 HD2 ARG B 89 19.066 -7.355 -7.164 1.00 0.00 H new ATOM 0 HD3 ARG B 89 19.816 -8.857 -7.666 1.00 0.00 H new ATOM 0 HE ARG B 89 19.143 -8.870 -4.830 1.00 0.00 H new ATOM 0 HH11 ARG B 89 17.783 -9.227 -8.072 1.00 0.00 H new ATOM 0 HH12 ARG B 89 16.501 -10.319 -7.538 1.00 0.00 H new ATOM 0 HH21 ARG B 89 17.513 -10.313 -4.165 1.00 0.00 H new ATOM 0 HH22 ARG B 89 16.349 -10.930 -5.342 1.00 0.00 H new ATOM 979 N ARG B 90 23.582 -5.867 -9.237 1.00 0.00 N ATOM 980 CA ARG B 90 24.826 -5.326 -9.787 1.00 0.00 C ATOM 981 C ARG B 90 25.786 -4.916 -8.670 1.00 0.00 C ATOM 982 O ARG B 90 26.299 -3.789 -8.654 1.00 0.00 O ATOM 983 CB ARG B 90 24.545 -4.131 -10.701 1.00 0.00 C ATOM 984 CG ARG B 90 23.588 -4.439 -11.839 1.00 0.00 C ATOM 985 CD ARG B 90 23.380 -3.224 -12.724 1.00 0.00 C ATOM 986 NE ARG B 90 22.314 -3.428 -13.701 1.00 0.00 N ATOM 987 CZ ARG B 90 21.712 -2.441 -14.359 1.00 0.00 C ATOM 988 NH1 ARG B 90 22.078 -1.181 -14.156 1.00 0.00 N ATOM 989 NH2 ARG B 90 20.739 -2.712 -15.217 1.00 0.00 N ATOM 0 H ARG B 90 23.372 -6.818 -9.542 1.00 0.00 H new ATOM 0 HA ARG B 90 25.296 -6.113 -10.377 1.00 0.00 H new ATOM 0 HB2 ARG B 90 24.134 -3.318 -10.103 1.00 0.00 H new ATOM 0 HB3 ARG B 90 25.487 -3.775 -11.118 1.00 0.00 H new ATOM 0 HG2 ARG B 90 23.980 -5.263 -12.435 1.00 0.00 H new ATOM 0 HG3 ARG B 90 22.630 -4.766 -11.434 1.00 0.00 H new ATOM 0 HD2 ARG B 90 23.141 -2.361 -12.103 1.00 0.00 H new ATOM 0 HD3 ARG B 90 24.309 -2.993 -13.245 1.00 0.00 H new ATOM 0 HE ARG B 90 22.013 -4.384 -13.890 1.00 0.00 H new ATOM 0 HH11 ARG B 90 22.823 -0.967 -13.493 1.00 0.00 H new ATOM 0 HH12 ARG B 90 21.614 -0.427 -14.663 1.00 0.00 H new ATOM 0 HH21 ARG B 90 20.451 -3.678 -15.373 1.00 0.00 H new ATOM 0 HH22 ARG B 90 20.278 -1.955 -15.721 1.00 0.00 H new ATOM 1003 N PHE B 91 26.014 -5.846 -7.740 1.00 0.00 N ATOM 1004 CA PHE B 91 26.898 -5.627 -6.595 1.00 0.00 C ATOM 1005 C PHE B 91 26.351 -4.536 -5.678 1.00 0.00 C ATOM 1006 O PHE B 91 25.203 -4.115 -5.818 1.00 0.00 O ATOM 1007 CB PHE B 91 28.323 -5.277 -7.049 1.00 0.00 C ATOM 1008 CG PHE B 91 29.009 -6.378 -7.810 1.00 0.00 C ATOM 1009 CD1 PHE B 91 29.608 -7.434 -7.139 1.00 0.00 C ATOM 1010 CD2 PHE B 91 29.061 -6.356 -9.195 1.00 0.00 C ATOM 1011 CE1 PHE B 91 30.241 -8.446 -7.834 1.00 0.00 C ATOM 1012 CE2 PHE B 91 29.693 -7.366 -9.896 1.00 0.00 C ATOM 1013 CZ PHE B 91 30.284 -8.412 -9.214 1.00 0.00 C ATOM 0 H PHE B 91 25.590 -6.773 -7.760 1.00 0.00 H new ATOM 0 HA PHE B 91 26.939 -6.560 -6.033 1.00 0.00 H new ATOM 0 HB2 PHE B 91 28.285 -4.385 -7.675 1.00 0.00 H new ATOM 0 HB3 PHE B 91 28.922 -5.027 -6.173 1.00 0.00 H new ATOM 0 HD1 PHE B 91 29.579 -7.465 -6.060 1.00 0.00 H new ATOM 0 HD2 PHE B 91 28.602 -5.540 -9.733 1.00 0.00 H new ATOM 0 HE1 PHE B 91 30.702 -9.263 -7.299 1.00 0.00 H new ATOM 0 HE2 PHE B 91 29.725 -7.337 -10.975 1.00 0.00 H new ATOM 0 HZ PHE B 91 30.779 -9.202 -9.759 1.00 0.00 H new ATOM 1023 N VAL B 92 27.169 -4.077 -4.742 1.00 0.00 N ATOM 1024 CA VAL B 92 26.766 -3.012 -3.835 1.00 0.00 C ATOM 1025 C VAL B 92 26.654 -1.683 -4.591 1.00 0.00 C ATOM 1026 O VAL B 92 26.040 -0.730 -4.114 1.00 0.00 O ATOM 1027 CB VAL B 92 27.766 -2.868 -2.662 1.00 0.00 C ATOM 1028 CG1 VAL B 92 29.116 -2.367 -3.154 1.00 0.00 C ATOM 1029 CG2 VAL B 92 27.209 -1.955 -1.577 1.00 0.00 C ATOM 0 H VAL B 92 28.116 -4.425 -4.591 1.00 0.00 H new ATOM 0 HA VAL B 92 25.791 -3.274 -3.424 1.00 0.00 H new ATOM 0 HB VAL B 92 27.913 -3.856 -2.226 1.00 0.00 H new ATOM 0 HG11 VAL B 92 29.800 -2.275 -2.310 1.00 0.00 H new ATOM 0 HG12 VAL B 92 29.525 -3.073 -3.877 1.00 0.00 H new ATOM 0 HG13 VAL B 92 28.992 -1.394 -3.628 1.00 0.00 H new ATOM 0 HG21 VAL B 92 27.932 -1.872 -0.765 1.00 0.00 H new ATOM 0 HG22 VAL B 92 27.018 -0.967 -1.996 1.00 0.00 H new ATOM 0 HG23 VAL B 92 26.278 -2.372 -1.193 1.00 0.00 H new ATOM 1039 N VAL B 93 27.236 -1.649 -5.789 1.00 0.00 N ATOM 1040 CA VAL B 93 27.265 -0.443 -6.606 1.00 0.00 C ATOM 1041 C VAL B 93 25.853 0.087 -6.855 1.00 0.00 C ATOM 1042 O VAL B 93 25.497 1.171 -6.380 1.00 0.00 O ATOM 1043 CB VAL B 93 27.963 -0.698 -7.954 1.00 0.00 C ATOM 1044 CG1 VAL B 93 28.106 0.596 -8.743 1.00 0.00 C ATOM 1045 CG2 VAL B 93 29.321 -1.353 -7.744 1.00 0.00 C ATOM 0 H VAL B 93 27.697 -2.453 -6.216 1.00 0.00 H new ATOM 0 HA VAL B 93 27.832 0.306 -6.053 1.00 0.00 H new ATOM 0 HB VAL B 93 27.341 -1.381 -8.532 1.00 0.00 H new ATOM 0 HG11 VAL B 93 28.602 0.391 -9.692 1.00 0.00 H new ATOM 0 HG12 VAL B 93 27.119 1.017 -8.933 1.00 0.00 H new ATOM 0 HG13 VAL B 93 28.700 1.308 -8.170 1.00 0.00 H new ATOM 0 HG21 VAL B 93 29.796 -1.524 -8.710 1.00 0.00 H new ATOM 0 HG22 VAL B 93 29.951 -0.699 -7.141 1.00 0.00 H new ATOM 0 HG23 VAL B 93 29.190 -2.306 -7.231 1.00 0.00 H new ATOM 1055 N ASP B 94 25.042 -0.676 -7.578 1.00 0.00 N ATOM 1056 CA ASP B 94 23.678 -0.250 -7.862 1.00 0.00 C ATOM 1057 C ASP B 94 22.803 -0.435 -6.641 1.00 0.00 C ATOM 1058 O ASP B 94 22.024 0.442 -6.313 1.00 0.00 O ATOM 1059 CB ASP B 94 23.060 -1.000 -9.042 1.00 0.00 C ATOM 1060 CG ASP B 94 23.682 -0.650 -10.379 1.00 0.00 C ATOM 1061 OD1 ASP B 94 22.930 -0.280 -11.305 1.00 0.00 O ATOM 1062 OD2 ASP B 94 24.920 -0.741 -10.522 1.00 0.00 O ATOM 0 H ASP B 94 25.300 -1.580 -7.973 1.00 0.00 H new ATOM 0 HA ASP B 94 23.732 0.805 -8.130 1.00 0.00 H new ATOM 0 HB2 ASP B 94 23.162 -2.072 -8.873 1.00 0.00 H new ATOM 0 HB3 ASP B 94 21.992 -0.783 -9.080 1.00 0.00 H new ATOM 1067 N ASP B 95 22.953 -1.564 -5.947 1.00 0.00 N ATOM 1068 CA ASP B 95 22.133 -1.848 -4.763 1.00 0.00 C ATOM 1069 C ASP B 95 22.136 -0.682 -3.784 1.00 0.00 C ATOM 1070 O ASP B 95 21.199 -0.507 -3.013 1.00 0.00 O ATOM 1071 CB ASP B 95 22.600 -3.110 -4.038 1.00 0.00 C ATOM 1072 CG ASP B 95 21.892 -4.363 -4.516 1.00 0.00 C ATOM 1073 OD1 ASP B 95 20.701 -4.275 -4.891 1.00 0.00 O ATOM 1074 OD2 ASP B 95 22.506 -5.450 -4.473 1.00 0.00 O ATOM 0 H ASP B 95 23.628 -2.293 -6.180 1.00 0.00 H new ATOM 0 HA ASP B 95 21.118 -2.005 -5.127 1.00 0.00 H new ATOM 0 HB2 ASP B 95 23.674 -3.229 -4.182 1.00 0.00 H new ATOM 0 HB3 ASP B 95 22.433 -2.991 -2.968 1.00 0.00 H new ATOM 1079 N ARG B 96 23.171 0.132 -3.836 1.00 0.00 N ATOM 1080 CA ARG B 96 23.269 1.274 -2.949 1.00 0.00 C ATOM 1081 C ARG B 96 22.399 2.407 -3.471 1.00 0.00 C ATOM 1082 O ARG B 96 21.364 2.722 -2.892 1.00 0.00 O ATOM 1083 CB ARG B 96 24.718 1.748 -2.820 1.00 0.00 C ATOM 1084 CG ARG B 96 24.889 2.892 -1.838 1.00 0.00 C ATOM 1085 CD ARG B 96 26.320 3.392 -1.798 1.00 0.00 C ATOM 1086 NE ARG B 96 26.716 4.045 -3.045 1.00 0.00 N ATOM 1087 CZ ARG B 96 27.732 4.900 -3.143 1.00 0.00 C ATOM 1088 NH1 ARG B 96 28.474 5.179 -2.076 1.00 0.00 N ATOM 1089 NH2 ARG B 96 28.009 5.472 -4.308 1.00 0.00 N ATOM 0 H ARG B 96 23.954 0.025 -4.481 1.00 0.00 H new ATOM 0 HA ARG B 96 22.920 0.971 -1.962 1.00 0.00 H new ATOM 0 HB2 ARG B 96 25.340 0.911 -2.504 1.00 0.00 H new ATOM 0 HB3 ARG B 96 25.079 2.062 -3.799 1.00 0.00 H new ATOM 0 HG2 ARG B 96 24.226 3.711 -2.115 1.00 0.00 H new ATOM 0 HG3 ARG B 96 24.591 2.564 -0.842 1.00 0.00 H new ATOM 0 HD2 ARG B 96 26.434 4.093 -0.971 1.00 0.00 H new ATOM 0 HD3 ARG B 96 26.989 2.555 -1.601 1.00 0.00 H new ATOM 0 HE ARG B 96 26.183 3.833 -3.889 1.00 0.00 H new ATOM 0 HH11 ARG B 96 28.265 4.738 -1.180 1.00 0.00 H new ATOM 0 HH12 ARG B 96 29.252 5.834 -2.153 1.00 0.00 H new ATOM 0 HH21 ARG B 96 27.443 5.257 -5.129 1.00 0.00 H new ATOM 0 HH22 ARG B 96 28.787 6.127 -4.382 1.00 0.00 H new ATOM 1103 N ARG B 97 22.807 2.978 -4.596 1.00 0.00 N ATOM 1104 CA ARG B 97 22.131 4.139 -5.164 1.00 0.00 C ATOM 1105 C ARG B 97 20.783 3.755 -5.768 1.00 0.00 C ATOM 1106 O ARG B 97 19.772 4.404 -5.521 1.00 0.00 O ATOM 1107 CB ARG B 97 23.035 4.794 -6.220 1.00 0.00 C ATOM 1108 CG ARG B 97 22.381 5.937 -6.985 1.00 0.00 C ATOM 1109 CD ARG B 97 21.740 5.455 -8.280 1.00 0.00 C ATOM 1110 NE ARG B 97 20.993 6.522 -8.943 1.00 0.00 N ATOM 1111 CZ ARG B 97 20.871 6.642 -10.263 1.00 0.00 C ATOM 1112 NH1 ARG B 97 21.443 5.762 -11.077 1.00 0.00 N ATOM 1113 NH2 ARG B 97 20.174 7.649 -10.771 1.00 0.00 N ATOM 0 H ARG B 97 23.608 2.654 -5.137 1.00 0.00 H new ATOM 0 HA ARG B 97 21.937 4.855 -4.365 1.00 0.00 H new ATOM 0 HB2 ARG B 97 23.934 5.168 -5.730 1.00 0.00 H new ATOM 0 HB3 ARG B 97 23.354 4.032 -6.931 1.00 0.00 H new ATOM 0 HG2 ARG B 97 21.624 6.408 -6.358 1.00 0.00 H new ATOM 0 HG3 ARG B 97 23.128 6.698 -7.210 1.00 0.00 H new ATOM 0 HD2 ARG B 97 22.513 5.080 -8.951 1.00 0.00 H new ATOM 0 HD3 ARG B 97 21.071 4.621 -8.067 1.00 0.00 H new ATOM 0 HE ARG B 97 20.536 7.220 -8.356 1.00 0.00 H new ATOM 0 HH11 ARG B 97 21.981 4.986 -10.692 1.00 0.00 H new ATOM 0 HH12 ARG B 97 21.344 5.862 -12.087 1.00 0.00 H new ATOM 0 HH21 ARG B 97 19.734 8.328 -10.151 1.00 0.00 H new ATOM 0 HH22 ARG B 97 20.078 7.744 -11.782 1.00 0.00 H new ATOM 1127 N GLU B 98 20.787 2.683 -6.539 1.00 0.00 N ATOM 1128 CA GLU B 98 19.617 2.249 -7.287 1.00 0.00 C ATOM 1129 C GLU B 98 18.489 1.787 -6.371 1.00 0.00 C ATOM 1130 O GLU B 98 17.316 2.047 -6.647 1.00 0.00 O ATOM 1131 CB GLU B 98 20.016 1.130 -8.247 1.00 0.00 C ATOM 1132 CG GLU B 98 20.758 1.635 -9.468 1.00 0.00 C ATOM 1133 CD GLU B 98 19.858 2.370 -10.443 1.00 0.00 C ATOM 1134 OE1 GLU B 98 19.503 1.778 -11.486 1.00 0.00 O ATOM 1135 OE2 GLU B 98 19.508 3.537 -10.183 1.00 0.00 O ATOM 0 H GLU B 98 21.604 2.085 -6.666 1.00 0.00 H new ATOM 0 HA GLU B 98 19.240 3.103 -7.850 1.00 0.00 H new ATOM 0 HB2 GLU B 98 20.643 0.412 -7.719 1.00 0.00 H new ATOM 0 HB3 GLU B 98 19.121 0.597 -8.567 1.00 0.00 H new ATOM 0 HG2 GLU B 98 21.561 2.300 -9.150 1.00 0.00 H new ATOM 0 HG3 GLU B 98 21.226 0.792 -9.977 1.00 0.00 H new ATOM 1142 N LEU B 99 18.832 1.110 -5.279 1.00 0.00 N ATOM 1143 CA LEU B 99 17.815 0.628 -4.362 1.00 0.00 C ATOM 1144 C LEU B 99 17.243 1.784 -3.549 1.00 0.00 C ATOM 1145 O LEU B 99 16.027 1.951 -3.483 1.00 0.00 O ATOM 1146 CB LEU B 99 18.392 -0.466 -3.457 1.00 0.00 C ATOM 1147 CG LEU B 99 17.416 -1.171 -2.504 1.00 0.00 C ATOM 1148 CD1 LEU B 99 17.266 -0.388 -1.214 1.00 0.00 C ATOM 1149 CD2 LEU B 99 16.061 -1.371 -3.160 1.00 0.00 C ATOM 0 H LEU B 99 19.791 0.887 -5.014 1.00 0.00 H new ATOM 0 HA LEU B 99 16.998 0.190 -4.935 1.00 0.00 H new ATOM 0 HB2 LEU B 99 18.851 -1.223 -4.092 1.00 0.00 H new ATOM 0 HB3 LEU B 99 19.190 -0.025 -2.859 1.00 0.00 H new ATOM 0 HG LEU B 99 17.829 -2.152 -2.269 1.00 0.00 H new ATOM 0 HD11 LEU B 99 16.570 -0.905 -0.553 1.00 0.00 H new ATOM 0 HD12 LEU B 99 18.236 -0.304 -0.725 1.00 0.00 H new ATOM 0 HD13 LEU B 99 16.883 0.608 -1.436 1.00 0.00 H new ATOM 0 HD21 LEU B 99 15.390 -1.872 -2.463 1.00 0.00 H new ATOM 0 HD22 LEU B 99 15.643 -0.402 -3.434 1.00 0.00 H new ATOM 0 HD23 LEU B 99 16.177 -1.982 -4.055 1.00 0.00 H new ATOM 1161 N GLN B 100 18.112 2.599 -2.950 1.00 0.00 N ATOM 1162 CA GLN B 100 17.648 3.716 -2.130 1.00 0.00 C ATOM 1163 C GLN B 100 16.857 4.703 -2.979 1.00 0.00 C ATOM 1164 O GLN B 100 15.936 5.355 -2.489 1.00 0.00 O ATOM 1165 CB GLN B 100 18.814 4.429 -1.431 1.00 0.00 C ATOM 1166 CG GLN B 100 19.778 5.158 -2.359 1.00 0.00 C ATOM 1167 CD GLN B 100 19.575 6.667 -2.381 1.00 0.00 C ATOM 1168 OE1 GLN B 100 18.353 7.119 -2.145 1.00 0.00 O flip ATOM 1169 NE2 GLN B 100 20.520 7.423 -2.600 1.00 0.00 N flip ATOM 0 H GLN B 100 19.126 2.509 -3.016 1.00 0.00 H new ATOM 0 HA GLN B 100 16.997 3.310 -1.356 1.00 0.00 H new ATOM 0 HB2 GLN B 100 18.406 5.147 -0.720 1.00 0.00 H new ATOM 0 HB3 GLN B 100 19.376 3.694 -0.855 1.00 0.00 H new ATOM 0 HG2 GLN B 100 20.801 4.941 -2.051 1.00 0.00 H new ATOM 0 HG3 GLN B 100 19.661 4.769 -3.370 1.00 0.00 H new ATOM 0 HE21 GLN B 100 21.449 7.040 -2.778 1.00 0.00 H new ATOM 0 HE22 GLN B 100 20.375 8.433 -2.604 1.00 0.00 H new ATOM 1178 N TYR B 101 17.236 4.812 -4.247 1.00 0.00 N ATOM 1179 CA TYR B 101 16.552 5.689 -5.187 1.00 0.00 C ATOM 1180 C TYR B 101 15.058 5.396 -5.221 1.00 0.00 C ATOM 1181 O TYR B 101 14.241 6.303 -5.070 1.00 0.00 O ATOM 1182 CB TYR B 101 17.144 5.545 -6.594 1.00 0.00 C ATOM 1183 CG TYR B 101 16.424 6.371 -7.639 1.00 0.00 C ATOM 1184 CD1 TYR B 101 16.674 7.731 -7.769 1.00 0.00 C ATOM 1185 CD2 TYR B 101 15.489 5.792 -8.488 1.00 0.00 C ATOM 1186 CE1 TYR B 101 16.011 8.491 -8.714 1.00 0.00 C ATOM 1187 CE2 TYR B 101 14.824 6.544 -9.437 1.00 0.00 C ATOM 1188 CZ TYR B 101 15.087 7.892 -9.544 1.00 0.00 C ATOM 1189 OH TYR B 101 14.420 8.645 -10.485 1.00 0.00 O ATOM 0 H TYR B 101 18.020 4.299 -4.649 1.00 0.00 H new ATOM 0 HA TYR B 101 16.697 6.715 -4.847 1.00 0.00 H new ATOM 0 HB2 TYR B 101 18.193 5.839 -6.570 1.00 0.00 H new ATOM 0 HB3 TYR B 101 17.113 4.496 -6.887 1.00 0.00 H new ATOM 0 HD1 TYR B 101 17.398 8.202 -7.121 1.00 0.00 H new ATOM 0 HD2 TYR B 101 15.278 4.736 -8.405 1.00 0.00 H new ATOM 0 HE1 TYR B 101 16.215 9.548 -8.802 1.00 0.00 H new ATOM 0 HE2 TYR B 101 14.102 6.078 -10.091 1.00 0.00 H new ATOM 0 HH TYR B 101 13.805 8.071 -10.988 1.00 0.00 H new ATOM 1199 N ARG B 102 14.701 4.124 -5.388 1.00 0.00 N ATOM 1200 CA ARG B 102 13.297 3.751 -5.511 1.00 0.00 C ATOM 1201 C ARG B 102 12.547 4.035 -4.214 1.00 0.00 C ATOM 1202 O ARG B 102 11.342 4.259 -4.221 1.00 0.00 O ATOM 1203 CB ARG B 102 13.136 2.277 -5.901 1.00 0.00 C ATOM 1204 CG ARG B 102 13.268 1.300 -4.744 1.00 0.00 C ATOM 1205 CD ARG B 102 12.921 -0.113 -5.174 1.00 0.00 C ATOM 1206 NE ARG B 102 12.847 -1.034 -4.039 1.00 0.00 N ATOM 1207 CZ ARG B 102 12.669 -2.349 -4.159 1.00 0.00 C ATOM 1208 NH1 ARG B 102 12.572 -2.905 -5.361 1.00 0.00 N ATOM 1209 NH2 ARG B 102 12.597 -3.108 -3.073 1.00 0.00 N ATOM 0 H ARG B 102 15.357 3.344 -5.441 1.00 0.00 H new ATOM 0 HA ARG B 102 12.868 4.359 -6.308 1.00 0.00 H new ATOM 0 HB2 ARG B 102 12.159 2.142 -6.364 1.00 0.00 H new ATOM 0 HB3 ARG B 102 13.883 2.030 -6.655 1.00 0.00 H new ATOM 0 HG2 ARG B 102 14.287 1.325 -4.358 1.00 0.00 H new ATOM 0 HG3 ARG B 102 12.611 1.606 -3.930 1.00 0.00 H new ATOM 0 HD2 ARG B 102 11.965 -0.107 -5.698 1.00 0.00 H new ATOM 0 HD3 ARG B 102 13.670 -0.470 -5.881 1.00 0.00 H new ATOM 0 HE ARG B 102 12.937 -0.646 -3.100 1.00 0.00 H new ATOM 0 HH11 ARG B 102 12.634 -2.325 -6.198 1.00 0.00 H new ATOM 0 HH12 ARG B 102 12.436 -3.912 -5.448 1.00 0.00 H new ATOM 0 HH21 ARG B 102 12.678 -2.685 -2.149 1.00 0.00 H new ATOM 0 HH22 ARG B 102 12.461 -4.115 -3.163 1.00 0.00 H new ATOM 1223 N VAL B 103 13.270 4.058 -3.107 1.00 0.00 N ATOM 1224 CA VAL B 103 12.660 4.279 -1.807 1.00 0.00 C ATOM 1225 C VAL B 103 12.235 5.744 -1.656 1.00 0.00 C ATOM 1226 O VAL B 103 11.141 6.028 -1.169 1.00 0.00 O ATOM 1227 CB VAL B 103 13.620 3.881 -0.664 1.00 0.00 C ATOM 1228 CG1 VAL B 103 12.881 3.742 0.651 1.00 0.00 C ATOM 1229 CG2 VAL B 103 14.358 2.589 -0.988 1.00 0.00 C ATOM 0 H VAL B 103 14.281 3.926 -3.083 1.00 0.00 H new ATOM 0 HA VAL B 103 11.775 3.646 -1.742 1.00 0.00 H new ATOM 0 HB VAL B 103 14.353 4.682 -0.565 1.00 0.00 H new ATOM 0 HG11 VAL B 103 13.584 3.461 1.435 1.00 0.00 H new ATOM 0 HG12 VAL B 103 12.412 4.692 0.907 1.00 0.00 H new ATOM 0 HG13 VAL B 103 12.115 2.973 0.558 1.00 0.00 H new ATOM 0 HG21 VAL B 103 15.026 2.335 -0.165 1.00 0.00 H new ATOM 0 HG22 VAL B 103 13.637 1.784 -1.132 1.00 0.00 H new ATOM 0 HG23 VAL B 103 14.940 2.721 -1.900 1.00 0.00 H new ATOM 1239 N GLU B 104 13.089 6.674 -2.085 1.00 0.00 N ATOM 1240 CA GLU B 104 12.748 8.097 -2.019 1.00 0.00 C ATOM 1241 C GLU B 104 11.712 8.514 -3.062 1.00 0.00 C ATOM 1242 O GLU B 104 10.953 9.455 -2.822 1.00 0.00 O ATOM 1243 CB GLU B 104 13.980 9.005 -2.102 1.00 0.00 C ATOM 1244 CG GLU B 104 14.998 8.601 -3.142 1.00 0.00 C ATOM 1245 CD GLU B 104 16.108 9.623 -3.274 1.00 0.00 C ATOM 1246 OE1 GLU B 104 17.133 9.500 -2.566 1.00 0.00 O ATOM 1247 OE2 GLU B 104 15.955 10.570 -4.073 1.00 0.00 O ATOM 0 H GLU B 104 14.009 6.473 -2.477 1.00 0.00 H new ATOM 0 HA GLU B 104 12.297 8.231 -1.036 1.00 0.00 H new ATOM 0 HB2 GLU B 104 13.650 10.022 -2.313 1.00 0.00 H new ATOM 0 HB3 GLU B 104 14.466 9.024 -1.127 1.00 0.00 H new ATOM 0 HG2 GLU B 104 15.425 7.634 -2.876 1.00 0.00 H new ATOM 0 HG3 GLU B 104 14.503 8.476 -4.105 1.00 0.00 H new ATOM 1254 N VAL B 105 11.658 7.847 -4.214 1.00 0.00 N ATOM 1255 CA VAL B 105 10.563 8.108 -5.144 1.00 0.00 C ATOM 1256 C VAL B 105 9.263 7.583 -4.556 1.00 0.00 C ATOM 1257 O VAL B 105 8.242 8.249 -4.627 1.00 0.00 O ATOM 1258 CB VAL B 105 10.793 7.546 -6.577 1.00 0.00 C ATOM 1259 CG1 VAL B 105 11.614 6.281 -6.563 1.00 0.00 C ATOM 1260 CG2 VAL B 105 9.480 7.284 -7.290 1.00 0.00 C ATOM 0 H VAL B 105 12.334 7.146 -4.518 1.00 0.00 H new ATOM 0 HA VAL B 105 10.511 9.189 -5.270 1.00 0.00 H new ATOM 0 HB VAL B 105 11.346 8.313 -7.119 1.00 0.00 H new ATOM 0 HG11 VAL B 105 11.750 5.924 -7.584 1.00 0.00 H new ATOM 0 HG12 VAL B 105 12.588 6.484 -6.117 1.00 0.00 H new ATOM 0 HG13 VAL B 105 11.099 5.519 -5.978 1.00 0.00 H new ATOM 0 HG21 VAL B 105 9.679 6.892 -8.287 1.00 0.00 H new ATOM 0 HG22 VAL B 105 8.898 6.557 -6.724 1.00 0.00 H new ATOM 0 HG23 VAL B 105 8.918 8.214 -7.371 1.00 0.00 H new ATOM 1270 N GLN B 106 9.314 6.410 -3.931 1.00 0.00 N ATOM 1271 CA GLN B 106 8.152 5.883 -3.223 1.00 0.00 C ATOM 1272 C GLN B 106 7.715 6.859 -2.131 1.00 0.00 C ATOM 1273 O GLN B 106 6.527 7.105 -1.951 1.00 0.00 O ATOM 1274 CB GLN B 106 8.466 4.507 -2.627 1.00 0.00 C ATOM 1275 CG GLN B 106 8.598 3.410 -3.672 1.00 0.00 C ATOM 1276 CD GLN B 106 7.302 3.127 -4.408 1.00 0.00 C ATOM 1277 OE1 GLN B 106 6.530 2.259 -4.010 1.00 0.00 O ATOM 1278 NE2 GLN B 106 7.056 3.856 -5.486 1.00 0.00 N ATOM 0 H GLN B 106 10.139 5.811 -3.900 1.00 0.00 H new ATOM 0 HA GLN B 106 7.332 5.767 -3.932 1.00 0.00 H new ATOM 0 HB2 GLN B 106 9.393 4.569 -2.058 1.00 0.00 H new ATOM 0 HB3 GLN B 106 7.678 4.236 -1.924 1.00 0.00 H new ATOM 0 HG2 GLN B 106 9.363 3.695 -4.394 1.00 0.00 H new ATOM 0 HG3 GLN B 106 8.941 2.495 -3.188 1.00 0.00 H new ATOM 0 HE21 GLN B 106 7.723 4.568 -5.784 1.00 0.00 H new ATOM 0 HE22 GLN B 106 6.199 3.706 -6.019 1.00 0.00 H new ATOM 1287 N ASN B 107 8.698 7.427 -1.433 1.00 0.00 N ATOM 1288 CA ASN B 107 8.460 8.474 -0.431 1.00 0.00 C ATOM 1289 C ASN B 107 7.644 9.620 -1.041 1.00 0.00 C ATOM 1290 O ASN B 107 6.711 10.132 -0.430 1.00 0.00 O ATOM 1291 CB ASN B 107 9.810 9.004 0.079 1.00 0.00 C ATOM 1292 CG ASN B 107 9.701 9.957 1.260 1.00 0.00 C ATOM 1293 OD1 ASN B 107 8.684 10.614 1.477 1.00 0.00 O ATOM 1294 ND2 ASN B 107 10.775 10.053 2.025 1.00 0.00 N ATOM 0 H ASN B 107 9.681 7.177 -1.543 1.00 0.00 H new ATOM 0 HA ASN B 107 7.895 8.053 0.401 1.00 0.00 H new ATOM 0 HB2 ASN B 107 10.435 8.158 0.366 1.00 0.00 H new ATOM 0 HB3 ASN B 107 10.320 9.514 -0.739 1.00 0.00 H new ATOM 0 HD21 ASN B 107 10.777 10.687 2.824 1.00 0.00 H new ATOM 0 HD22 ASN B 107 11.602 9.493 1.816 1.00 0.00 H new ATOM 1301 N ARG B 108 7.992 10.000 -2.262 1.00 0.00 N ATOM 1302 CA ARG B 108 7.341 11.115 -2.935 1.00 0.00 C ATOM 1303 C ARG B 108 5.992 10.713 -3.523 1.00 0.00 C ATOM 1304 O ARG B 108 4.981 11.365 -3.276 1.00 0.00 O ATOM 1305 CB ARG B 108 8.245 11.651 -4.039 1.00 0.00 C ATOM 1306 CG ARG B 108 9.529 12.272 -3.522 1.00 0.00 C ATOM 1307 CD ARG B 108 10.412 12.750 -4.659 1.00 0.00 C ATOM 1308 NE ARG B 108 9.782 13.816 -5.434 1.00 0.00 N ATOM 1309 CZ ARG B 108 10.297 14.319 -6.554 1.00 0.00 C ATOM 1310 NH1 ARG B 108 11.406 13.799 -7.070 1.00 0.00 N ATOM 1311 NH2 ARG B 108 9.690 15.326 -7.171 1.00 0.00 N ATOM 0 H ARG B 108 8.726 9.550 -2.809 1.00 0.00 H new ATOM 0 HA ARG B 108 7.162 11.892 -2.192 1.00 0.00 H new ATOM 0 HB2 ARG B 108 8.493 10.838 -4.721 1.00 0.00 H new ATOM 0 HB3 ARG B 108 7.697 12.396 -4.616 1.00 0.00 H new ATOM 0 HG2 ARG B 108 9.291 13.110 -2.867 1.00 0.00 H new ATOM 0 HG3 ARG B 108 10.071 11.542 -2.921 1.00 0.00 H new ATOM 0 HD2 ARG B 108 11.360 13.107 -4.256 1.00 0.00 H new ATOM 0 HD3 ARG B 108 10.641 11.911 -5.317 1.00 0.00 H new ATOM 0 HE ARG B 108 8.897 14.197 -5.098 1.00 0.00 H new ATOM 0 HH11 ARG B 108 11.864 13.013 -6.608 1.00 0.00 H new ATOM 0 HH12 ARG B 108 11.799 14.186 -7.928 1.00 0.00 H new ATOM 0 HH21 ARG B 108 8.829 15.715 -6.787 1.00 0.00 H new ATOM 0 HH22 ARG B 108 10.085 15.711 -8.029 1.00 0.00 H new ATOM 1325 N VAL B 109 5.988 9.641 -4.306 1.00 0.00 N ATOM 1326 CA VAL B 109 4.783 9.179 -4.988 1.00 0.00 C ATOM 1327 C VAL B 109 3.668 8.873 -3.998 1.00 0.00 C ATOM 1328 O VAL B 109 2.526 9.290 -4.191 1.00 0.00 O ATOM 1329 CB VAL B 109 5.060 7.927 -5.847 1.00 0.00 C ATOM 1330 CG1 VAL B 109 3.808 7.505 -6.603 1.00 0.00 C ATOM 1331 CG2 VAL B 109 6.210 8.185 -6.811 1.00 0.00 C ATOM 0 H VAL B 109 6.814 9.070 -4.486 1.00 0.00 H new ATOM 0 HA VAL B 109 4.465 9.991 -5.643 1.00 0.00 H new ATOM 0 HB VAL B 109 5.346 7.112 -5.183 1.00 0.00 H new ATOM 0 HG11 VAL B 109 4.025 6.621 -7.202 1.00 0.00 H new ATOM 0 HG12 VAL B 109 3.014 7.276 -5.892 1.00 0.00 H new ATOM 0 HG13 VAL B 109 3.487 8.316 -7.257 1.00 0.00 H new ATOM 0 HG21 VAL B 109 6.391 7.292 -7.408 1.00 0.00 H new ATOM 0 HG22 VAL B 109 5.954 9.016 -7.469 1.00 0.00 H new ATOM 0 HG23 VAL B 109 7.109 8.433 -6.247 1.00 0.00 H new ATOM 1341 N TYR B 110 4.008 8.166 -2.928 1.00 0.00 N ATOM 1342 CA TYR B 110 3.035 7.825 -1.899 1.00 0.00 C ATOM 1343 C TYR B 110 2.509 9.086 -1.224 1.00 0.00 C ATOM 1344 O TYR B 110 1.340 9.166 -0.849 1.00 0.00 O ATOM 1345 CB TYR B 110 3.661 6.901 -0.854 1.00 0.00 C ATOM 1346 CG TYR B 110 3.853 5.470 -1.306 1.00 0.00 C ATOM 1347 CD1 TYR B 110 4.204 4.488 -0.391 1.00 0.00 C ATOM 1348 CD2 TYR B 110 3.674 5.097 -2.632 1.00 0.00 C ATOM 1349 CE1 TYR B 110 4.373 3.176 -0.782 1.00 0.00 C ATOM 1350 CE2 TYR B 110 3.840 3.788 -3.031 1.00 0.00 C ATOM 1351 CZ TYR B 110 4.189 2.830 -2.103 1.00 0.00 C ATOM 1352 OH TYR B 110 4.358 1.523 -2.499 1.00 0.00 O ATOM 0 H TYR B 110 4.950 7.818 -2.750 1.00 0.00 H new ATOM 0 HA TYR B 110 2.204 7.306 -2.376 1.00 0.00 H new ATOM 0 HB2 TYR B 110 4.629 7.308 -0.563 1.00 0.00 H new ATOM 0 HB3 TYR B 110 3.033 6.905 0.037 1.00 0.00 H new ATOM 0 HD1 TYR B 110 4.347 4.755 0.645 1.00 0.00 H new ATOM 0 HD2 TYR B 110 3.400 5.844 -3.362 1.00 0.00 H new ATOM 0 HE1 TYR B 110 4.648 2.424 -0.057 1.00 0.00 H new ATOM 0 HE2 TYR B 110 3.697 3.514 -4.066 1.00 0.00 H new ATOM 0 HH TYR B 110 5.128 1.461 -3.102 1.00 0.00 H new ATOM 1362 N LYS B 111 3.384 10.069 -1.083 1.00 0.00 N ATOM 1363 CA LYS B 111 3.022 11.345 -0.489 1.00 0.00 C ATOM 1364 C LYS B 111 2.048 12.079 -1.399 1.00 0.00 C ATOM 1365 O LYS B 111 1.075 12.677 -0.941 1.00 0.00 O ATOM 1366 CB LYS B 111 4.284 12.177 -0.258 1.00 0.00 C ATOM 1367 CG LYS B 111 4.069 13.435 0.563 1.00 0.00 C ATOM 1368 CD LYS B 111 5.395 14.097 0.913 1.00 0.00 C ATOM 1369 CE LYS B 111 6.278 13.174 1.746 1.00 0.00 C ATOM 1370 NZ LYS B 111 7.543 13.828 2.166 1.00 0.00 N ATOM 0 H LYS B 111 4.359 10.005 -1.375 1.00 0.00 H new ATOM 0 HA LYS B 111 2.534 11.178 0.472 1.00 0.00 H new ATOM 0 HB2 LYS B 111 5.027 11.555 0.242 1.00 0.00 H new ATOM 0 HB3 LYS B 111 4.701 12.457 -1.225 1.00 0.00 H new ATOM 0 HG2 LYS B 111 3.446 14.134 0.005 1.00 0.00 H new ATOM 0 HG3 LYS B 111 3.530 13.188 1.478 1.00 0.00 H new ATOM 0 HD2 LYS B 111 5.918 14.373 -0.003 1.00 0.00 H new ATOM 0 HD3 LYS B 111 5.208 15.019 1.464 1.00 0.00 H new ATOM 0 HE2 LYS B 111 5.729 12.850 2.630 1.00 0.00 H new ATOM 0 HE3 LYS B 111 6.509 12.279 1.169 1.00 0.00 H new ATOM 0 HZ1 LYS B 111 8.108 13.161 2.729 1.00 0.00 H new ATOM 0 HZ2 LYS B 111 8.082 14.114 1.324 1.00 0.00 H new ATOM 0 HZ3 LYS B 111 7.326 14.668 2.740 1.00 0.00 H new ATOM 1384 N LYS B 112 2.313 12.000 -2.698 1.00 0.00 N ATOM 1385 CA LYS B 112 1.442 12.582 -3.704 1.00 0.00 C ATOM 1386 C LYS B 112 0.059 11.945 -3.651 1.00 0.00 C ATOM 1387 O LYS B 112 -0.953 12.628 -3.832 1.00 0.00 O ATOM 1388 CB LYS B 112 2.055 12.399 -5.091 1.00 0.00 C ATOM 1389 CG LYS B 112 3.326 13.204 -5.297 1.00 0.00 C ATOM 1390 CD LYS B 112 4.069 12.773 -6.549 1.00 0.00 C ATOM 1391 CE LYS B 112 3.225 12.943 -7.805 1.00 0.00 C ATOM 1392 NZ LYS B 112 2.818 14.357 -8.028 1.00 0.00 N ATOM 0 H LYS B 112 3.135 11.532 -3.079 1.00 0.00 H new ATOM 0 HA LYS B 112 1.336 13.647 -3.499 1.00 0.00 H new ATOM 0 HB2 LYS B 112 2.273 11.343 -5.248 1.00 0.00 H new ATOM 0 HB3 LYS B 112 1.323 12.689 -5.845 1.00 0.00 H new ATOM 0 HG2 LYS B 112 3.078 14.263 -5.368 1.00 0.00 H new ATOM 0 HG3 LYS B 112 3.976 13.086 -4.430 1.00 0.00 H new ATOM 0 HD2 LYS B 112 4.984 13.358 -6.646 1.00 0.00 H new ATOM 0 HD3 LYS B 112 4.367 11.729 -6.452 1.00 0.00 H new ATOM 0 HE2 LYS B 112 3.788 12.589 -8.669 1.00 0.00 H new ATOM 0 HE3 LYS B 112 2.334 12.319 -7.728 1.00 0.00 H new ATOM 0 HZ1 LYS B 112 2.364 14.445 -8.959 1.00 0.00 H new ATOM 0 HZ2 LYS B 112 2.148 14.646 -7.287 1.00 0.00 H new ATOM 0 HZ3 LYS B 112 3.658 14.970 -7.993 1.00 0.00 H new ATOM 1406 N GLU B 113 0.020 10.638 -3.399 1.00 0.00 N ATOM 1407 CA GLU B 113 -1.247 9.935 -3.246 1.00 0.00 C ATOM 1408 C GLU B 113 -2.029 10.526 -2.086 1.00 0.00 C ATOM 1409 O GLU B 113 -3.193 10.873 -2.229 1.00 0.00 O ATOM 1410 CB GLU B 113 -1.041 8.437 -3.004 1.00 0.00 C ATOM 1411 CG GLU B 113 -0.205 7.744 -4.066 1.00 0.00 C ATOM 1412 CD GLU B 113 -0.367 6.240 -4.038 1.00 0.00 C ATOM 1413 OE1 GLU B 113 0.620 5.531 -3.752 1.00 0.00 O ATOM 1414 OE2 GLU B 113 -1.489 5.758 -4.308 1.00 0.00 O ATOM 0 H GLU B 113 0.847 10.050 -3.297 1.00 0.00 H new ATOM 0 HA GLU B 113 -1.804 10.056 -4.175 1.00 0.00 H new ATOM 0 HB2 GLU B 113 -0.563 8.299 -2.034 1.00 0.00 H new ATOM 0 HB3 GLU B 113 -2.015 7.952 -2.951 1.00 0.00 H new ATOM 0 HG2 GLU B 113 -0.489 8.119 -5.049 1.00 0.00 H new ATOM 0 HG3 GLU B 113 0.845 7.996 -3.919 1.00 0.00 H new ATOM 1421 N ILE B 114 -1.365 10.656 -0.942 1.00 0.00 N ATOM 1422 CA ILE B 114 -1.986 11.178 0.268 1.00 0.00 C ATOM 1423 C ILE B 114 -2.597 12.560 0.056 1.00 0.00 C ATOM 1424 O ILE B 114 -3.691 12.834 0.536 1.00 0.00 O ATOM 1425 CB ILE B 114 -0.961 11.239 1.407 1.00 0.00 C ATOM 1426 CG1 ILE B 114 -0.472 9.828 1.714 1.00 0.00 C ATOM 1427 CG2 ILE B 114 -1.560 11.894 2.644 1.00 0.00 C ATOM 1428 CD1 ILE B 114 0.600 9.775 2.769 1.00 0.00 C ATOM 0 H ILE B 114 -0.383 10.403 -0.829 1.00 0.00 H new ATOM 0 HA ILE B 114 -2.794 10.495 0.532 1.00 0.00 H new ATOM 0 HB ILE B 114 -0.114 11.851 1.097 1.00 0.00 H new ATOM 0 HG12 ILE B 114 -1.318 9.222 2.038 1.00 0.00 H new ATOM 0 HG13 ILE B 114 -0.090 9.378 0.798 1.00 0.00 H new ATOM 0 HG21 ILE B 114 -0.813 11.925 3.437 1.00 0.00 H new ATOM 0 HG22 ILE B 114 -1.875 12.909 2.402 1.00 0.00 H new ATOM 0 HG23 ILE B 114 -2.422 11.317 2.980 1.00 0.00 H new ATOM 0 HD11 ILE B 114 0.898 8.739 2.934 1.00 0.00 H new ATOM 0 HD12 ILE B 114 1.464 10.353 2.440 1.00 0.00 H new ATOM 0 HD13 ILE B 114 0.216 10.194 3.699 1.00 0.00 H new ATOM 1440 N GLN B 115 -1.894 13.423 -0.662 1.00 0.00 N ATOM 1441 CA GLN B 115 -2.396 14.762 -0.943 1.00 0.00 C ATOM 1442 C GLN B 115 -3.702 14.679 -1.723 1.00 0.00 C ATOM 1443 O GLN B 115 -4.676 15.383 -1.424 1.00 0.00 O ATOM 1444 CB GLN B 115 -1.357 15.552 -1.724 1.00 0.00 C ATOM 1445 CG GLN B 115 0.007 15.537 -1.060 1.00 0.00 C ATOM 1446 CD GLN B 115 1.011 16.440 -1.737 1.00 0.00 C ATOM 1447 OE1 GLN B 115 0.530 17.529 -2.308 1.00 0.00 O flip ATOM 1448 NE2 GLN B 115 2.213 16.170 -1.730 1.00 0.00 N flip ATOM 0 H GLN B 115 -0.977 13.222 -1.060 1.00 0.00 H new ATOM 0 HA GLN B 115 -2.589 15.275 -0.001 1.00 0.00 H new ATOM 0 HB2 GLN B 115 -1.272 15.139 -2.729 1.00 0.00 H new ATOM 0 HB3 GLN B 115 -1.694 16.583 -1.830 1.00 0.00 H new ATOM 0 HG2 GLN B 115 -0.100 15.841 -0.019 1.00 0.00 H new ATOM 0 HG3 GLN B 115 0.391 14.517 -1.057 1.00 0.00 H new ATOM 0 HE21 GLN B 115 2.542 15.317 -1.277 1.00 0.00 H new ATOM 0 HE22 GLN B 115 2.880 16.799 -2.177 1.00 0.00 H new ATOM 1457 N ALA B 116 -3.713 13.798 -2.712 1.00 0.00 N ATOM 1458 CA ALA B 116 -4.919 13.513 -3.475 1.00 0.00 C ATOM 1459 C ALA B 116 -5.994 12.929 -2.564 1.00 0.00 C ATOM 1460 O ALA B 116 -7.134 13.388 -2.557 1.00 0.00 O ATOM 1461 CB ALA B 116 -4.608 12.543 -4.607 1.00 0.00 C ATOM 0 H ALA B 116 -2.895 13.265 -3.006 1.00 0.00 H new ATOM 0 HA ALA B 116 -5.290 14.444 -3.903 1.00 0.00 H new ATOM 0 HB1 ALA B 116 -5.518 12.338 -5.170 1.00 0.00 H new ATOM 0 HB2 ALA B 116 -3.863 12.984 -5.269 1.00 0.00 H new ATOM 0 HB3 ALA B 116 -4.220 11.612 -4.193 1.00 0.00 H new ATOM 1467 N LEU B 117 -5.597 11.939 -1.776 1.00 0.00 N ATOM 1468 CA LEU B 117 -6.503 11.243 -0.865 1.00 0.00 C ATOM 1469 C LEU B 117 -7.056 12.189 0.192 1.00 0.00 C ATOM 1470 O LEU B 117 -8.111 11.940 0.763 1.00 0.00 O ATOM 1471 CB LEU B 117 -5.769 10.084 -0.187 1.00 0.00 C ATOM 1472 CG LEU B 117 -5.191 9.037 -1.139 1.00 0.00 C ATOM 1473 CD1 LEU B 117 -4.347 8.031 -0.379 1.00 0.00 C ATOM 1474 CD2 LEU B 117 -6.296 8.330 -1.904 1.00 0.00 C ATOM 0 H LEU B 117 -4.638 11.594 -1.748 1.00 0.00 H new ATOM 0 HA LEU B 117 -7.339 10.857 -1.448 1.00 0.00 H new ATOM 0 HB2 LEU B 117 -4.958 10.491 0.416 1.00 0.00 H new ATOM 0 HB3 LEU B 117 -6.458 9.589 0.498 1.00 0.00 H new ATOM 0 HG LEU B 117 -4.554 9.552 -1.858 1.00 0.00 H new ATOM 0 HD11 LEU B 117 -3.945 7.294 -1.074 1.00 0.00 H new ATOM 0 HD12 LEU B 117 -3.526 8.547 0.118 1.00 0.00 H new ATOM 0 HD13 LEU B 117 -4.963 7.528 0.366 1.00 0.00 H new ATOM 0 HD21 LEU B 117 -5.859 7.590 -2.574 1.00 0.00 H new ATOM 0 HD22 LEU B 117 -6.964 7.833 -1.201 1.00 0.00 H new ATOM 0 HD23 LEU B 117 -6.859 9.059 -2.486 1.00 0.00 H new ATOM 1486 N ASP B 118 -6.335 13.267 0.454 1.00 0.00 N ATOM 1487 CA ASP B 118 -6.778 14.277 1.406 1.00 0.00 C ATOM 1488 C ASP B 118 -8.036 14.969 0.892 1.00 0.00 C ATOM 1489 O ASP B 118 -8.891 15.395 1.670 1.00 0.00 O ATOM 1490 CB ASP B 118 -5.664 15.292 1.656 1.00 0.00 C ATOM 1491 CG ASP B 118 -6.053 16.368 2.650 1.00 0.00 C ATOM 1492 OD1 ASP B 118 -6.465 17.467 2.219 1.00 0.00 O ATOM 1493 OD2 ASP B 118 -5.931 16.125 3.867 1.00 0.00 O ATOM 0 H ASP B 118 -5.435 13.467 0.019 1.00 0.00 H new ATOM 0 HA ASP B 118 -7.016 13.791 2.352 1.00 0.00 H new ATOM 0 HB2 ASP B 118 -4.780 14.770 2.022 1.00 0.00 H new ATOM 0 HB3 ASP B 118 -5.389 15.761 0.711 1.00 0.00 H new ATOM 1498 N ALA B 119 -8.152 15.066 -0.426 1.00 0.00 N ATOM 1499 CA ALA B 119 -9.376 15.558 -1.042 1.00 0.00 C ATOM 1500 C ALA B 119 -10.502 14.550 -0.829 1.00 0.00 C ATOM 1501 O ALA B 119 -11.650 14.914 -0.563 1.00 0.00 O ATOM 1502 CB ALA B 119 -9.164 15.824 -2.522 1.00 0.00 C ATOM 0 H ALA B 119 -7.417 14.812 -1.086 1.00 0.00 H new ATOM 0 HA ALA B 119 -9.654 16.501 -0.570 1.00 0.00 H new ATOM 0 HB1 ALA B 119 -10.091 16.191 -2.962 1.00 0.00 H new ATOM 0 HB2 ALA B 119 -8.381 16.572 -2.649 1.00 0.00 H new ATOM 0 HB3 ALA B 119 -8.867 14.900 -3.019 1.00 0.00 H new ATOM 1508 N GLU B 120 -10.164 13.271 -0.927 1.00 0.00 N ATOM 1509 CA GLU B 120 -11.102 12.217 -0.614 1.00 0.00 C ATOM 1510 C GLU B 120 -11.433 12.225 0.877 1.00 0.00 C ATOM 1511 O GLU B 120 -12.499 11.789 1.281 1.00 0.00 O ATOM 1512 CB GLU B 120 -10.549 10.860 -1.022 1.00 0.00 C ATOM 1513 CG GLU B 120 -10.745 10.495 -2.484 1.00 0.00 C ATOM 1514 CD GLU B 120 -10.084 11.456 -3.449 1.00 0.00 C ATOM 1515 OE1 GLU B 120 -10.755 12.406 -3.900 1.00 0.00 O ATOM 1516 OE2 GLU B 120 -8.901 11.253 -3.782 1.00 0.00 O ATOM 0 H GLU B 120 -9.244 12.944 -1.222 1.00 0.00 H new ATOM 0 HA GLU B 120 -12.017 12.398 -1.179 1.00 0.00 H new ATOM 0 HB2 GLU B 120 -9.482 10.838 -0.798 1.00 0.00 H new ATOM 0 HB3 GLU B 120 -11.020 10.094 -0.406 1.00 0.00 H new ATOM 0 HG2 GLU B 120 -10.349 9.494 -2.655 1.00 0.00 H new ATOM 0 HG3 GLU B 120 -11.813 10.456 -2.699 1.00 0.00 H new ATOM 1523 N ILE B 121 -10.509 12.698 1.701 1.00 0.00 N ATOM 1524 CA ILE B 121 -10.798 12.890 3.117 1.00 0.00 C ATOM 1525 C ILE B 121 -12.039 13.759 3.282 1.00 0.00 C ATOM 1526 O ILE B 121 -12.831 13.546 4.193 1.00 0.00 O ATOM 1527 CB ILE B 121 -9.598 13.503 3.889 1.00 0.00 C ATOM 1528 CG1 ILE B 121 -8.885 12.424 4.703 1.00 0.00 C ATOM 1529 CG2 ILE B 121 -10.029 14.647 4.799 1.00 0.00 C ATOM 1530 CD1 ILE B 121 -8.300 11.315 3.862 1.00 0.00 C ATOM 0 H ILE B 121 -9.563 12.954 1.419 1.00 0.00 H new ATOM 0 HA ILE B 121 -10.983 11.906 3.549 1.00 0.00 H new ATOM 0 HB ILE B 121 -8.910 13.912 3.150 1.00 0.00 H new ATOM 0 HG12 ILE B 121 -8.087 12.887 5.283 1.00 0.00 H new ATOM 0 HG13 ILE B 121 -9.589 11.995 5.416 1.00 0.00 H new ATOM 0 HG21 ILE B 121 -9.158 15.046 5.319 1.00 0.00 H new ATOM 0 HG22 ILE B 121 -10.487 15.435 4.201 1.00 0.00 H new ATOM 0 HG23 ILE B 121 -10.751 14.279 5.529 1.00 0.00 H new ATOM 0 HD11 ILE B 121 -7.810 10.587 4.509 1.00 0.00 H new ATOM 0 HD12 ILE B 121 -9.096 10.825 3.302 1.00 0.00 H new ATOM 0 HD13 ILE B 121 -7.571 11.731 3.167 1.00 0.00 H new ATOM 1542 N ARG B 122 -12.226 14.708 2.370 1.00 0.00 N ATOM 1543 CA ARG B 122 -13.409 15.549 2.395 1.00 0.00 C ATOM 1544 C ARG B 122 -14.663 14.704 2.184 1.00 0.00 C ATOM 1545 O ARG B 122 -15.683 14.930 2.831 1.00 0.00 O ATOM 1546 CB ARG B 122 -13.323 16.655 1.340 1.00 0.00 C ATOM 1547 CG ARG B 122 -14.554 17.547 1.298 1.00 0.00 C ATOM 1548 CD ARG B 122 -14.805 18.212 2.642 1.00 0.00 C ATOM 1549 NE ARG B 122 -16.115 18.849 2.697 1.00 0.00 N ATOM 1550 CZ ARG B 122 -16.881 18.890 3.785 1.00 0.00 C ATOM 1551 NH1 ARG B 122 -16.447 18.386 4.937 1.00 0.00 N ATOM 1552 NH2 ARG B 122 -18.078 19.454 3.721 1.00 0.00 N ATOM 0 H ARG B 122 -11.576 14.910 1.611 1.00 0.00 H new ATOM 0 HA ARG B 122 -13.467 16.025 3.374 1.00 0.00 H new ATOM 0 HB2 ARG B 122 -12.445 17.269 1.539 1.00 0.00 H new ATOM 0 HB3 ARG B 122 -13.179 16.201 0.360 1.00 0.00 H new ATOM 0 HG2 ARG B 122 -14.425 18.311 0.531 1.00 0.00 H new ATOM 0 HG3 ARG B 122 -15.424 16.955 1.015 1.00 0.00 H new ATOM 0 HD2 ARG B 122 -14.730 17.468 3.435 1.00 0.00 H new ATOM 0 HD3 ARG B 122 -14.031 18.957 2.829 1.00 0.00 H new ATOM 0 HE ARG B 122 -16.467 19.291 1.848 1.00 0.00 H new ATOM 0 HH11 ARG B 122 -15.520 17.964 4.992 1.00 0.00 H new ATOM 0 HH12 ARG B 122 -17.041 18.422 5.765 1.00 0.00 H new ATOM 0 HH21 ARG B 122 -18.407 19.853 2.842 1.00 0.00 H new ATOM 0 HH22 ARG B 122 -18.670 19.489 4.551 1.00 0.00 H new ATOM 1566 N LYS B 123 -14.581 13.716 1.294 1.00 0.00 N ATOM 1567 CA LYS B 123 -15.709 12.815 1.071 1.00 0.00 C ATOM 1568 C LYS B 123 -15.953 11.975 2.323 1.00 0.00 C ATOM 1569 O LYS B 123 -17.090 11.648 2.659 1.00 0.00 O ATOM 1570 CB LYS B 123 -15.474 11.917 -0.156 1.00 0.00 C ATOM 1571 CG LYS B 123 -14.741 10.609 0.138 1.00 0.00 C ATOM 1572 CD LYS B 123 -14.229 9.908 -1.114 1.00 0.00 C ATOM 1573 CE LYS B 123 -14.608 10.649 -2.377 1.00 0.00 C ATOM 1574 NZ LYS B 123 -14.211 9.922 -3.611 1.00 0.00 N ATOM 0 H LYS B 123 -13.758 13.521 0.724 1.00 0.00 H new ATOM 0 HA LYS B 123 -16.596 13.414 0.868 1.00 0.00 H new ATOM 0 HB2 LYS B 123 -16.438 11.683 -0.608 1.00 0.00 H new ATOM 0 HB3 LYS B 123 -14.903 12.479 -0.896 1.00 0.00 H new ATOM 0 HG2 LYS B 123 -13.900 10.813 0.801 1.00 0.00 H new ATOM 0 HG3 LYS B 123 -15.412 9.937 0.673 1.00 0.00 H new ATOM 0 HD2 LYS B 123 -13.144 9.817 -1.060 1.00 0.00 H new ATOM 0 HD3 LYS B 123 -14.633 8.896 -1.153 1.00 0.00 H new ATOM 0 HE2 LYS B 123 -15.686 10.813 -2.388 1.00 0.00 H new ATOM 0 HE3 LYS B 123 -14.137 11.632 -2.372 1.00 0.00 H new ATOM 0 HZ1 LYS B 123 -14.932 10.067 -4.346 1.00 0.00 H new ATOM 0 HZ2 LYS B 123 -13.296 10.283 -3.948 1.00 0.00 H new ATOM 0 HZ3 LYS B 123 -14.127 8.906 -3.404 1.00 0.00 H new ATOM 1588 N LEU B 124 -14.870 11.642 3.018 1.00 0.00 N ATOM 1589 CA LEU B 124 -14.956 10.936 4.285 1.00 0.00 C ATOM 1590 C LEU B 124 -15.594 11.822 5.345 1.00 0.00 C ATOM 1591 O LEU B 124 -16.371 11.351 6.169 1.00 0.00 O ATOM 1592 CB LEU B 124 -13.569 10.483 4.744 1.00 0.00 C ATOM 1593 CG LEU B 124 -12.911 9.417 3.868 1.00 0.00 C ATOM 1594 CD1 LEU B 124 -11.508 9.112 4.366 1.00 0.00 C ATOM 1595 CD2 LEU B 124 -13.753 8.155 3.854 1.00 0.00 C ATOM 0 H LEU B 124 -13.918 11.853 2.720 1.00 0.00 H new ATOM 0 HA LEU B 124 -15.581 10.054 4.143 1.00 0.00 H new ATOM 0 HB2 LEU B 124 -12.914 11.354 4.783 1.00 0.00 H new ATOM 0 HB3 LEU B 124 -13.648 10.098 5.761 1.00 0.00 H new ATOM 0 HG LEU B 124 -12.840 9.800 2.850 1.00 0.00 H new ATOM 0 HD11 LEU B 124 -11.054 8.351 3.731 1.00 0.00 H new ATOM 0 HD12 LEU B 124 -10.905 10.019 4.333 1.00 0.00 H new ATOM 0 HD13 LEU B 124 -11.557 8.746 5.392 1.00 0.00 H new ATOM 0 HD21 LEU B 124 -13.273 7.404 3.226 1.00 0.00 H new ATOM 0 HD22 LEU B 124 -13.850 7.771 4.870 1.00 0.00 H new ATOM 0 HD23 LEU B 124 -14.742 8.382 3.456 1.00 0.00 H new ATOM 1607 N GLU B 125 -15.271 13.110 5.315 1.00 0.00 N ATOM 1608 CA GLU B 125 -15.884 14.070 6.224 1.00 0.00 C ATOM 1609 C GLU B 125 -17.380 14.168 5.957 1.00 0.00 C ATOM 1610 O GLU B 125 -18.164 14.406 6.869 1.00 0.00 O ATOM 1611 CB GLU B 125 -15.238 15.446 6.084 1.00 0.00 C ATOM 1612 CG GLU B 125 -13.738 15.449 6.325 1.00 0.00 C ATOM 1613 CD GLU B 125 -13.137 16.832 6.226 1.00 0.00 C ATOM 1614 OE1 GLU B 125 -13.854 17.767 5.806 1.00 0.00 O ATOM 1615 OE2 GLU B 125 -11.950 16.998 6.572 1.00 0.00 O ATOM 0 H GLU B 125 -14.589 13.513 4.672 1.00 0.00 H new ATOM 0 HA GLU B 125 -15.725 13.719 7.244 1.00 0.00 H new ATOM 0 HB2 GLU B 125 -15.436 15.829 5.083 1.00 0.00 H new ATOM 0 HB3 GLU B 125 -15.711 16.132 6.787 1.00 0.00 H new ATOM 0 HG2 GLU B 125 -13.531 15.037 7.313 1.00 0.00 H new ATOM 0 HG3 GLU B 125 -13.256 14.794 5.599 1.00 0.00 H new ATOM 1622 N ARG B 126 -17.769 13.972 4.703 1.00 0.00 N ATOM 1623 CA ARG B 126 -19.179 13.936 4.332 1.00 0.00 C ATOM 1624 C ARG B 126 -19.858 12.734 4.984 1.00 0.00 C ATOM 1625 O ARG B 126 -21.039 12.773 5.315 1.00 0.00 O ATOM 1626 CB ARG B 126 -19.330 13.872 2.810 1.00 0.00 C ATOM 1627 CG ARG B 126 -18.700 15.054 2.087 1.00 0.00 C ATOM 1628 CD ARG B 126 -18.850 14.938 0.578 1.00 0.00 C ATOM 1629 NE ARG B 126 -20.249 15.001 0.157 1.00 0.00 N ATOM 1630 CZ ARG B 126 -20.671 14.711 -1.074 1.00 0.00 C ATOM 1631 NH1 ARG B 126 -19.804 14.315 -2.002 1.00 0.00 N ATOM 1632 NH2 ARG B 126 -21.960 14.817 -1.374 1.00 0.00 N ATOM 0 H ARG B 126 -17.126 13.835 3.923 1.00 0.00 H new ATOM 0 HA ARG B 126 -19.659 14.848 4.687 1.00 0.00 H new ATOM 0 HB2 ARG B 126 -18.876 12.950 2.446 1.00 0.00 H new ATOM 0 HB3 ARG B 126 -20.390 13.826 2.560 1.00 0.00 H new ATOM 0 HG2 ARG B 126 -19.165 15.979 2.428 1.00 0.00 H new ATOM 0 HG3 ARG B 126 -17.642 15.115 2.344 1.00 0.00 H new ATOM 0 HD2 ARG B 126 -18.291 15.740 0.096 1.00 0.00 H new ATOM 0 HD3 ARG B 126 -18.413 13.998 0.242 1.00 0.00 H new ATOM 0 HE ARG B 126 -20.944 15.284 0.847 1.00 0.00 H new ATOM 0 HH11 ARG B 126 -18.814 14.233 -1.773 1.00 0.00 H new ATOM 0 HH12 ARG B 126 -20.130 14.094 -2.943 1.00 0.00 H new ATOM 0 HH21 ARG B 126 -22.626 15.120 -0.663 1.00 0.00 H new ATOM 0 HH22 ARG B 126 -22.284 14.596 -2.315 1.00 0.00 H new ATOM 1646 N LEU B 127 -19.093 11.665 5.160 1.00 0.00 N ATOM 1647 CA LEU B 127 -19.553 10.482 5.880 1.00 0.00 C ATOM 1648 C LEU B 127 -19.664 10.797 7.368 1.00 0.00 C ATOM 1649 O LEU B 127 -20.676 10.507 8.012 1.00 0.00 O ATOM 1650 CB LEU B 127 -18.553 9.343 5.665 1.00 0.00 C ATOM 1651 CG LEU B 127 -18.889 8.012 6.331 1.00 0.00 C ATOM 1652 CD1 LEU B 127 -19.793 7.189 5.433 1.00 0.00 C ATOM 1653 CD2 LEU B 127 -17.617 7.247 6.657 1.00 0.00 C ATOM 0 H LEU B 127 -18.138 11.592 4.809 1.00 0.00 H new ATOM 0 HA LEU B 127 -20.532 10.183 5.506 1.00 0.00 H new ATOM 0 HB2 LEU B 127 -18.453 9.173 4.593 1.00 0.00 H new ATOM 0 HB3 LEU B 127 -17.579 9.670 6.028 1.00 0.00 H new ATOM 0 HG LEU B 127 -19.417 8.211 7.263 1.00 0.00 H new ATOM 0 HD11 LEU B 127 -20.025 6.242 5.920 1.00 0.00 H new ATOM 0 HD12 LEU B 127 -20.717 7.737 5.246 1.00 0.00 H new ATOM 0 HD13 LEU B 127 -19.288 6.996 4.487 1.00 0.00 H new ATOM 0 HD21 LEU B 127 -17.874 6.300 7.132 1.00 0.00 H new ATOM 0 HD22 LEU B 127 -17.063 7.054 5.738 1.00 0.00 H new ATOM 0 HD23 LEU B 127 -17.001 7.838 7.335 1.00 0.00 H new ATOM 1665 N LEU B 128 -18.604 11.404 7.888 1.00 0.00 N ATOM 1666 CA LEU B 128 -18.508 11.772 9.297 1.00 0.00 C ATOM 1667 C LEU B 128 -19.616 12.741 9.708 1.00 0.00 C ATOM 1668 O LEU B 128 -20.405 12.458 10.609 1.00 0.00 O ATOM 1669 CB LEU B 128 -17.150 12.424 9.564 1.00 0.00 C ATOM 1670 CG LEU B 128 -15.941 11.606 9.108 1.00 0.00 C ATOM 1671 CD1 LEU B 128 -14.647 12.364 9.359 1.00 0.00 C ATOM 1672 CD2 LEU B 128 -15.916 10.255 9.800 1.00 0.00 C ATOM 0 H LEU B 128 -17.781 11.657 7.341 1.00 0.00 H new ATOM 0 HA LEU B 128 -18.617 10.861 9.885 1.00 0.00 H new ATOM 0 HB2 LEU B 128 -17.124 13.392 9.065 1.00 0.00 H new ATOM 0 HB3 LEU B 128 -17.059 12.614 10.633 1.00 0.00 H new ATOM 0 HG LEU B 128 -16.031 11.438 8.035 1.00 0.00 H new ATOM 0 HD11 LEU B 128 -13.802 11.761 9.026 1.00 0.00 H new ATOM 0 HD12 LEU B 128 -14.663 13.303 8.806 1.00 0.00 H new ATOM 0 HD13 LEU B 128 -14.548 12.571 10.424 1.00 0.00 H new ATOM 0 HD21 LEU B 128 -15.048 9.689 9.462 1.00 0.00 H new ATOM 0 HD22 LEU B 128 -15.857 10.400 10.879 1.00 0.00 H new ATOM 0 HD23 LEU B 128 -16.825 9.705 9.557 1.00 0.00 H new ATOM 1684 N GLU B 129 -19.662 13.881 9.033 1.00 0.00 N ATOM 1685 CA GLU B 129 -20.588 14.956 9.372 1.00 0.00 C ATOM 1686 C GLU B 129 -22.046 14.544 9.183 1.00 0.00 C ATOM 1687 O GLU B 129 -22.918 14.958 9.947 1.00 0.00 O ATOM 1688 CB GLU B 129 -20.287 16.191 8.523 1.00 0.00 C ATOM 1689 CG GLU B 129 -18.954 16.843 8.841 1.00 0.00 C ATOM 1690 CD GLU B 129 -18.776 18.176 8.138 1.00 0.00 C ATOM 1691 OE1 GLU B 129 -18.125 18.218 7.072 1.00 0.00 O ATOM 1692 OE2 GLU B 129 -19.300 19.193 8.641 1.00 0.00 O ATOM 0 H GLU B 129 -19.060 14.088 8.236 1.00 0.00 H new ATOM 0 HA GLU B 129 -20.445 15.186 10.428 1.00 0.00 H new ATOM 0 HB2 GLU B 129 -20.301 15.909 7.470 1.00 0.00 H new ATOM 0 HB3 GLU B 129 -21.082 16.922 8.667 1.00 0.00 H new ATOM 0 HG2 GLU B 129 -18.873 16.990 9.918 1.00 0.00 H new ATOM 0 HG3 GLU B 129 -18.146 16.172 8.550 1.00 0.00 H new ATOM 1699 N SER B 130 -22.310 13.727 8.174 1.00 0.00 N ATOM 1700 CA SER B 130 -23.675 13.296 7.888 1.00 0.00 C ATOM 1701 C SER B 130 -24.136 12.245 8.901 1.00 0.00 C ATOM 1702 O SER B 130 -25.310 11.874 8.939 1.00 0.00 O ATOM 1703 CB SER B 130 -23.772 12.743 6.462 1.00 0.00 C ATOM 1704 OG SER B 130 -25.116 12.483 6.091 1.00 0.00 O ATOM 0 H SER B 130 -21.604 13.350 7.542 1.00 0.00 H new ATOM 0 HA SER B 130 -24.332 14.162 7.972 1.00 0.00 H new ATOM 0 HB2 SER B 130 -23.333 13.456 5.764 1.00 0.00 H new ATOM 0 HB3 SER B 130 -23.190 11.825 6.387 1.00 0.00 H new ATOM 0 HG SER B 130 -25.628 12.216 6.883 1.00 0.00 H new ATOM 1710 N GLY B 131 -23.205 11.779 9.727 1.00 0.00 N ATOM 1711 CA GLY B 131 -23.534 10.790 10.732 1.00 0.00 C ATOM 1712 C GLY B 131 -23.750 9.419 10.133 1.00 0.00 C ATOM 1713 O GLY B 131 -24.515 8.616 10.659 1.00 0.00 O ATOM 0 H GLY B 131 -22.228 12.070 9.717 1.00 0.00 H new ATOM 0 HA2 GLY B 131 -22.731 10.741 11.468 1.00 0.00 H new ATOM 0 HA3 GLY B 131 -24.435 11.099 11.263 1.00 0.00 H new ATOM 1717 N LEU B 132 -23.076 9.153 9.021 1.00 0.00 N ATOM 1718 CA LEU B 132 -23.208 7.890 8.332 1.00 0.00 C ATOM 1719 C LEU B 132 -22.351 6.841 9.046 1.00 0.00 C ATOM 1720 O LEU B 132 -22.716 5.669 9.135 1.00 0.00 O ATOM 1721 CB LEU B 132 -22.781 8.082 6.868 1.00 0.00 C ATOM 1722 CG LEU B 132 -23.396 7.117 5.841 1.00 0.00 C ATOM 1723 CD1 LEU B 132 -22.996 5.683 6.126 1.00 0.00 C ATOM 1724 CD2 LEU B 132 -24.912 7.254 5.812 1.00 0.00 C ATOM 0 H LEU B 132 -22.429 9.806 8.580 1.00 0.00 H new ATOM 0 HA LEU B 132 -24.241 7.541 8.342 1.00 0.00 H new ATOM 0 HB2 LEU B 132 -23.030 9.101 6.571 1.00 0.00 H new ATOM 0 HB3 LEU B 132 -21.696 7.991 6.814 1.00 0.00 H new ATOM 0 HG LEU B 132 -23.007 7.385 4.859 1.00 0.00 H new ATOM 0 HD11 LEU B 132 -23.446 5.025 5.383 1.00 0.00 H new ATOM 0 HD12 LEU B 132 -21.911 5.592 6.081 1.00 0.00 H new ATOM 0 HD13 LEU B 132 -23.343 5.399 7.120 1.00 0.00 H new ATOM 0 HD21 LEU B 132 -25.326 6.562 5.079 1.00 0.00 H new ATOM 0 HD22 LEU B 132 -25.317 7.023 6.797 1.00 0.00 H new ATOM 0 HD23 LEU B 132 -25.180 8.275 5.539 1.00 0.00 H new ATOM 1736 N THR B 133 -21.218 7.280 9.569 1.00 0.00 N ATOM 1737 CA THR B 133 -20.342 6.414 10.339 1.00 0.00 C ATOM 1738 C THR B 133 -19.608 7.227 11.406 1.00 0.00 C ATOM 1739 O THR B 133 -18.587 7.866 11.082 1.00 0.00 O ATOM 1740 CB THR B 133 -19.324 5.690 9.431 1.00 0.00 C ATOM 1741 OG1 THR B 133 -20.018 5.000 8.376 1.00 0.00 O ATOM 1742 CG2 THR B 133 -18.494 4.693 10.230 1.00 0.00 C ATOM 1743 OXT THR B 133 -20.073 7.240 12.568 1.00 0.00 O ATOM 0 H THR B 133 -20.882 8.238 9.473 1.00 0.00 H new ATOM 0 HA THR B 133 -20.959 5.656 10.822 1.00 0.00 H new ATOM 0 HB THR B 133 -18.654 6.437 9.005 1.00 0.00 H new ATOM 0 HG1 THR B 133 -19.369 4.543 7.801 1.00 0.00 H new ATOM 0 HG21 THR B 133 -17.785 4.197 9.568 1.00 0.00 H new ATOM 0 HG22 THR B 133 -17.950 5.219 11.015 1.00 0.00 H new ATOM 0 HG23 THR B 133 -19.152 3.950 10.680 1.00 0.00 H new TER 1751 THR B 133