USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 543 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -130:sc= -0.104 (180deg=-1.35) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN :FLIP amide:sc= -1.76 F(o=-2.8,f=-1.8) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -1.13 K(o=-1.1,f=-1.6!) USER MOD Single : A 14 ASN : amide:sc= -0.24 X(o=-0.24,f=-0.24) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc=-0.00249 X(o=-0.0025,f=-0.0025) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.431) USER MOD Single : A 27 TYR OH : rot 70:sc= -1.16 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 123:sc= 1.41 USER MOD Single : A 34 ASN : amide:sc= -0.448 X(o=-0.45,f=-0.13) USER MOD Single : A 35 GLN :FLIP amide:sc= -0.955 F(o=-2.5!,f=-0.96) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.388 K(o=-0.39,f=-1.5!) USER MOD Single : A 44 LYS NZ :NH3+ -150:sc= 0.273 (180deg=0.0416) USER MOD Single : A 46 TYR OH : rot 180:sc= -0.723 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -30:sc= 0.295 USER MOD Single : A 53 THR OG1 : rot -143:sc= 1.28 USER MOD Single : A 54 SER OG : rot 60:sc= 0.798 USER MOD Single : A 57 SER OG : rot 180:sc= 0.063 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 79:sc= 0.22 USER MOD Single : A 66 TYR OH : rot -158:sc= 0.00216 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 33.667 4.591 -11.701 1.00 50.34 N ATOM 2 CA GLY A 1 32.311 4.570 -11.186 1.00 1.24 C ATOM 3 C GLY A 1 32.192 5.249 -9.836 1.00 55.43 C ATOM 4 O GLY A 1 31.978 4.604 -8.809 1.00 12.31 O ATOM 0 H1 GLY A 1 33.661 4.941 -12.680 1.00 50.34 H new ATOM 0 H2 GLY A 1 34.252 5.218 -11.113 1.00 50.34 H new ATOM 0 H3 GLY A 1 34.061 3.629 -11.680 1.00 50.34 H new ATOM 0 HA2 GLY A 1 31.648 5.063 -11.897 1.00 1.24 H new ATOM 0 HA3 GLY A 1 31.974 3.537 -11.100 1.00 1.24 H new ATOM 8 N PRO A 2 32.335 6.583 -9.826 1.00 4.24 N ATOM 9 CA PRO A 2 32.247 7.379 -8.598 1.00 15.40 C ATOM 10 C PRO A 2 30.829 7.427 -8.038 1.00 72.51 C ATOM 11 O PRO A 2 29.864 7.124 -8.740 1.00 61.53 O ATOM 12 CB PRO A 2 32.693 8.773 -9.046 1.00 15.24 C ATOM 13 CG PRO A 2 32.388 8.817 -10.504 1.00 23.42 C ATOM 14 CD PRO A 2 32.591 7.416 -11.012 1.00 21.11 C ATOM 0 HA PRO A 2 32.855 6.960 -7.796 1.00 15.40 H new ATOM 0 HB2 PRO A 2 32.157 9.553 -8.506 1.00 15.24 H new ATOM 0 HB3 PRO A 2 33.756 8.928 -8.859 1.00 15.24 H new ATOM 0 HG2 PRO A 2 31.365 9.151 -10.679 1.00 23.42 H new ATOM 0 HG3 PRO A 2 33.045 9.518 -11.019 1.00 23.42 H new ATOM 0 HD2 PRO A 2 31.904 7.180 -11.825 1.00 21.11 H new ATOM 0 HD3 PRO A 2 33.601 7.270 -11.395 1.00 21.11 H new ATOM 22 N SER A 3 30.711 7.811 -6.771 1.00 64.45 N ATOM 23 CA SER A 3 29.411 7.897 -6.117 1.00 20.03 C ATOM 24 C SER A 3 28.714 9.210 -6.461 1.00 15.33 C ATOM 25 O SER A 3 29.314 10.108 -7.050 1.00 42.14 O ATOM 26 CB SER A 3 29.571 7.774 -4.600 1.00 32.33 C ATOM 27 OG SER A 3 29.228 6.474 -4.155 1.00 34.25 O ATOM 0 H SER A 3 31.500 8.067 -6.177 1.00 64.45 H new ATOM 0 HA SER A 3 28.795 7.074 -6.479 1.00 20.03 H new ATOM 0 HB2 SER A 3 30.601 7.998 -4.320 1.00 32.33 H new ATOM 0 HB3 SER A 3 28.939 8.510 -4.104 1.00 32.33 H new ATOM 0 HG SER A 3 29.340 6.421 -3.183 1.00 34.25 H new ATOM 33 N THR A 4 27.441 9.312 -6.090 1.00 32.53 N ATOM 34 CA THR A 4 26.662 10.513 -6.359 1.00 3.33 C ATOM 35 C THR A 4 25.341 10.494 -5.596 1.00 73.13 C ATOM 36 O THR A 4 24.746 9.436 -5.393 1.00 54.33 O ATOM 37 CB THR A 4 26.370 10.668 -7.863 1.00 14.21 C ATOM 38 OG1 THR A 4 25.549 11.818 -8.088 1.00 2.43 O ATOM 39 CG2 THR A 4 25.676 9.428 -8.410 1.00 22.21 C ATOM 0 H THR A 4 26.929 8.577 -5.603 1.00 32.53 H new ATOM 0 HA THR A 4 27.261 11.360 -6.023 1.00 3.33 H new ATOM 0 HB THR A 4 27.320 10.794 -8.383 1.00 14.21 H new ATOM 0 HG1 THR A 4 25.370 11.910 -9.047 1.00 2.43 H new ATOM 0 HG21 THR A 4 25.480 9.560 -9.474 1.00 22.21 H new ATOM 0 HG22 THR A 4 26.317 8.558 -8.265 1.00 22.21 H new ATOM 0 HG23 THR A 4 24.734 9.276 -7.883 1.00 22.21 H new ATOM 47 N SER A 5 24.889 11.671 -5.177 1.00 20.04 N ATOM 48 CA SER A 5 23.640 11.789 -4.434 1.00 30.25 C ATOM 49 C SER A 5 22.648 12.680 -5.175 1.00 21.21 C ATOM 50 O SER A 5 23.014 13.387 -6.113 1.00 64.23 O ATOM 51 CB SER A 5 23.905 12.352 -3.036 1.00 4.35 C ATOM 52 OG SER A 5 23.915 11.321 -2.064 1.00 35.23 O ATOM 0 H SER A 5 25.369 12.556 -5.339 1.00 20.04 H new ATOM 0 HA SER A 5 23.206 10.793 -4.341 1.00 30.25 H new ATOM 0 HB2 SER A 5 24.862 12.874 -3.026 1.00 4.35 H new ATOM 0 HB3 SER A 5 23.139 13.085 -2.785 1.00 4.35 H new ATOM 0 HG SER A 5 24.088 11.707 -1.180 1.00 35.23 H new ATOM 58 N MET A 6 21.391 12.641 -4.746 1.00 32.42 N ATOM 59 CA MET A 6 20.346 13.446 -5.368 1.00 33.04 C ATOM 60 C MET A 6 19.299 13.865 -4.340 1.00 63.43 C ATOM 61 O MET A 6 19.464 13.630 -3.144 1.00 1.33 O ATOM 62 CB MET A 6 19.679 12.667 -6.503 1.00 60.31 C ATOM 63 CG MET A 6 18.739 11.575 -6.020 1.00 21.02 C ATOM 64 SD MET A 6 19.093 9.972 -6.766 1.00 33.41 S ATOM 65 CE MET A 6 18.485 8.865 -5.496 1.00 41.13 C ATOM 0 H MET A 6 21.071 12.061 -3.970 1.00 32.42 H new ATOM 0 HA MET A 6 20.809 14.344 -5.777 1.00 33.04 H new ATOM 0 HB2 MET A 6 19.123 13.362 -7.132 1.00 60.31 H new ATOM 0 HB3 MET A 6 20.451 12.220 -7.129 1.00 60.31 H new ATOM 0 HG2 MET A 6 18.813 11.491 -4.936 1.00 21.02 H new ATOM 0 HG3 MET A 6 17.712 11.858 -6.248 1.00 21.02 H new ATOM 0 HE1 MET A 6 18.634 7.832 -5.812 1.00 41.13 H new ATOM 0 HE2 MET A 6 19.028 9.043 -4.568 1.00 41.13 H new ATOM 0 HE3 MET A 6 17.422 9.045 -5.335 1.00 41.13 H new ATOM 75 N GLU A 7 18.226 14.488 -4.816 1.00 51.14 N ATOM 76 CA GLU A 7 17.155 14.942 -3.937 1.00 2.31 C ATOM 77 C GLU A 7 15.805 14.398 -4.399 1.00 63.15 C ATOM 78 O GLU A 7 14.775 14.660 -3.782 1.00 2.31 O ATOM 79 CB GLU A 7 17.112 16.471 -3.894 1.00 73.41 C ATOM 80 CG GLU A 7 18.231 17.087 -3.070 1.00 14.32 C ATOM 81 CD GLU A 7 18.622 18.469 -3.558 1.00 33.14 C ATOM 82 OE1 GLU A 7 18.766 18.644 -4.786 1.00 43.42 O ATOM 83 OE2 GLU A 7 18.783 19.373 -2.712 1.00 42.03 O ATOM 0 H GLU A 7 18.075 14.690 -5.804 1.00 51.14 H new ATOM 0 HA GLU A 7 17.358 14.563 -2.935 1.00 2.31 H new ATOM 0 HB2 GLU A 7 17.167 16.857 -4.912 1.00 73.41 H new ATOM 0 HB3 GLU A 7 16.153 16.788 -3.484 1.00 73.41 H new ATOM 0 HG2 GLU A 7 17.918 17.149 -2.028 1.00 14.32 H new ATOM 0 HG3 GLU A 7 19.103 16.434 -3.103 1.00 14.32 H new ATOM 90 N ASN A 8 15.822 13.640 -5.491 1.00 62.13 N ATOM 91 CA ASN A 8 14.600 13.060 -6.037 1.00 33.41 C ATOM 92 C ASN A 8 14.907 11.793 -6.829 1.00 13.42 C ATOM 93 O ASN A 8 15.653 11.825 -7.809 1.00 52.13 O ATOM 94 CB ASN A 8 13.886 14.074 -6.933 1.00 34.22 C ATOM 95 CG ASN A 8 13.555 15.360 -6.200 1.00 51.42 C ATOM 96 OD1 ASN A 8 12.581 15.294 -5.300 1.00 64.50 O flip ATOM 97 ND2 ASN A 8 14.167 16.400 -6.441 1.00 13.32 N flip ATOM 0 H ASN A 8 16.667 13.413 -6.015 1.00 62.13 H new ATOM 0 HA ASN A 8 13.947 12.798 -5.204 1.00 33.41 H new ATOM 0 HB2 ASN A 8 14.515 14.301 -7.794 1.00 34.22 H new ATOM 0 HB3 ASN A 8 12.967 13.631 -7.318 1.00 34.22 H new ATOM 0 HD21 ASN A 8 14.909 16.405 -7.141 1.00 13.32 H new ATOM 0 HD22 ASN A 8 13.933 17.257 -5.941 1.00 13.32 H new ATOM 104 N LEU A 9 14.327 10.678 -6.399 1.00 30.14 N ATOM 105 CA LEU A 9 14.537 9.399 -7.067 1.00 13.30 C ATOM 106 C LEU A 9 14.123 9.476 -8.534 1.00 62.21 C ATOM 107 O LEU A 9 14.550 8.664 -9.354 1.00 33.42 O ATOM 108 CB LEU A 9 13.747 8.295 -6.361 1.00 63.41 C ATOM 109 CG LEU A 9 13.585 6.986 -7.133 1.00 14.11 C ATOM 110 CD1 LEU A 9 14.944 6.385 -7.457 1.00 60.30 C ATOM 111 CD2 LEU A 9 12.740 6.000 -6.339 1.00 32.20 C ATOM 0 H LEU A 9 13.707 10.634 -5.590 1.00 30.14 H new ATOM 0 HA LEU A 9 15.600 9.164 -7.019 1.00 13.30 H new ATOM 0 HB2 LEU A 9 14.237 8.076 -5.412 1.00 63.41 H new ATOM 0 HB3 LEU A 9 12.755 8.680 -6.126 1.00 63.41 H new ATOM 0 HG LEU A 9 13.073 7.201 -8.071 1.00 14.11 H new ATOM 0 HD11 LEU A 9 14.808 5.454 -8.007 1.00 60.30 H new ATOM 0 HD12 LEU A 9 15.516 7.085 -8.066 1.00 60.30 H new ATOM 0 HD13 LEU A 9 15.483 6.185 -6.531 1.00 60.30 H new ATOM 0 HD21 LEU A 9 12.635 5.074 -6.904 1.00 32.20 H new ATOM 0 HD22 LEU A 9 13.225 5.791 -5.385 1.00 32.20 H new ATOM 0 HD23 LEU A 9 11.754 6.429 -6.158 1.00 32.20 H new ATOM 123 N VAL A 10 13.290 10.460 -8.857 1.00 25.24 N ATOM 124 CA VAL A 10 12.820 10.646 -10.225 1.00 32.41 C ATOM 125 C VAL A 10 13.986 10.668 -11.207 1.00 43.02 C ATOM 126 O VAL A 10 13.841 10.282 -12.367 1.00 63.33 O ATOM 127 CB VAL A 10 12.017 11.952 -10.370 1.00 22.24 C ATOM 128 CG1 VAL A 10 12.936 13.159 -10.275 1.00 33.51 C ATOM 129 CG2 VAL A 10 11.246 11.959 -11.681 1.00 4.24 C ATOM 0 H VAL A 10 12.927 11.141 -8.190 1.00 25.24 H new ATOM 0 HA VAL A 10 12.170 9.802 -10.455 1.00 32.41 H new ATOM 0 HB VAL A 10 11.299 12.009 -9.552 1.00 22.24 H new ATOM 0 HG11 VAL A 10 12.350 14.072 -10.380 1.00 33.51 H new ATOM 0 HG12 VAL A 10 13.438 13.159 -9.307 1.00 33.51 H new ATOM 0 HG13 VAL A 10 13.681 13.113 -11.070 1.00 33.51 H new ATOM 0 HG21 VAL A 10 10.684 12.889 -11.768 1.00 4.24 H new ATOM 0 HG22 VAL A 10 11.944 11.878 -12.514 1.00 4.24 H new ATOM 0 HG23 VAL A 10 10.557 11.115 -11.702 1.00 4.24 H new ATOM 139 N SER A 11 15.143 11.122 -10.734 1.00 45.24 N ATOM 140 CA SER A 11 16.333 11.200 -11.572 1.00 35.14 C ATOM 141 C SER A 11 16.658 9.837 -12.180 1.00 43.24 C ATOM 142 O SER A 11 16.999 9.737 -13.359 1.00 52.23 O ATOM 143 CB SER A 11 17.525 11.703 -10.756 1.00 42.03 C ATOM 144 OG SER A 11 18.735 11.119 -11.206 1.00 11.02 O ATOM 0 H SER A 11 15.281 11.441 -9.775 1.00 45.24 H new ATOM 0 HA SER A 11 16.133 11.903 -12.381 1.00 35.14 H new ATOM 0 HB2 SER A 11 17.591 12.788 -10.834 1.00 42.03 H new ATOM 0 HB3 SER A 11 17.374 11.467 -9.703 1.00 42.03 H new ATOM 0 HG SER A 11 19.481 11.458 -10.669 1.00 11.02 H new ATOM 150 N LEU A 12 16.551 8.794 -11.367 1.00 14.44 N ATOM 151 CA LEU A 12 16.831 7.436 -11.822 1.00 74.14 C ATOM 152 C LEU A 12 15.701 6.912 -12.702 1.00 21.33 C ATOM 153 O LEU A 12 15.932 6.132 -13.626 1.00 21.13 O ATOM 154 CB LEU A 12 17.035 6.507 -10.625 1.00 34.20 C ATOM 155 CG LEU A 12 18.276 5.615 -10.671 1.00 20.34 C ATOM 156 CD1 LEU A 12 18.672 5.177 -9.269 1.00 2.35 C ATOM 157 CD2 LEU A 12 18.031 4.405 -11.560 1.00 13.55 C ATOM 0 H LEU A 12 16.272 8.861 -10.388 1.00 14.44 H new ATOM 0 HA LEU A 12 17.746 7.460 -12.414 1.00 74.14 H new ATOM 0 HB2 LEU A 12 17.083 7.116 -9.722 1.00 34.20 H new ATOM 0 HB3 LEU A 12 16.156 5.868 -10.532 1.00 34.20 H new ATOM 0 HG LEU A 12 19.098 6.192 -11.095 1.00 20.34 H new ATOM 0 HD11 LEU A 12 19.557 4.543 -9.322 1.00 2.35 H new ATOM 0 HD12 LEU A 12 18.891 6.055 -8.662 1.00 2.35 H new ATOM 0 HD13 LEU A 12 17.852 4.618 -8.817 1.00 2.35 H new ATOM 0 HD21 LEU A 12 18.925 3.782 -11.581 1.00 13.55 H new ATOM 0 HD22 LEU A 12 17.195 3.827 -11.166 1.00 13.55 H new ATOM 0 HD23 LEU A 12 17.797 4.738 -12.571 1.00 13.55 H new ATOM 169 N GLN A 13 14.480 7.347 -12.408 1.00 43.33 N ATOM 170 CA GLN A 13 13.314 6.922 -13.174 1.00 24.03 C ATOM 171 C GLN A 13 13.364 7.474 -14.594 1.00 42.33 C ATOM 172 O GLN A 13 12.833 8.550 -14.871 1.00 34.13 O ATOM 173 CB GLN A 13 12.029 7.378 -12.481 1.00 72.05 C ATOM 174 CG GLN A 13 12.032 7.147 -10.979 1.00 13.24 C ATOM 175 CD GLN A 13 10.648 7.248 -10.369 1.00 0.42 C ATOM 176 OE1 GLN A 13 10.160 6.304 -9.749 1.00 15.45 O ATOM 177 NE2 GLN A 13 10.006 8.398 -10.544 1.00 60.44 N ATOM 0 H GLN A 13 14.272 7.993 -11.646 1.00 43.33 H new ATOM 0 HA GLN A 13 13.323 5.833 -13.227 1.00 24.03 H new ATOM 0 HB2 GLN A 13 11.878 8.440 -12.676 1.00 72.05 H new ATOM 0 HB3 GLN A 13 11.183 6.850 -12.920 1.00 72.05 H new ATOM 0 HG2 GLN A 13 12.447 6.161 -10.768 1.00 13.24 H new ATOM 0 HG3 GLN A 13 12.688 7.877 -10.505 1.00 13.24 H new ATOM 0 HE21 GLN A 13 10.449 9.155 -11.065 1.00 60.44 H new ATOM 0 HE22 GLN A 13 9.071 8.524 -10.157 1.00 60.44 H new ATOM 186 N ASN A 14 14.006 6.732 -15.491 1.00 10.31 N ATOM 187 CA ASN A 14 14.126 7.149 -16.884 1.00 22.25 C ATOM 188 C ASN A 14 14.939 8.434 -16.998 1.00 60.22 C ATOM 189 O ASN A 14 14.468 9.515 -16.641 1.00 24.05 O ATOM 190 CB ASN A 14 12.739 7.354 -17.498 1.00 12.13 C ATOM 191 CG ASN A 14 11.748 6.295 -17.052 1.00 72.12 C ATOM 192 OD1 ASN A 14 11.999 5.098 -17.185 1.00 75.41 O ATOM 193 ND2 ASN A 14 10.613 6.735 -16.521 1.00 25.41 N ATOM 0 H ASN A 14 14.451 5.839 -15.278 1.00 10.31 H new ATOM 0 HA ASN A 14 14.645 6.361 -17.430 1.00 22.25 H new ATOM 0 HB2 ASN A 14 12.364 8.339 -17.221 1.00 12.13 H new ATOM 0 HB3 ASN A 14 12.820 7.338 -18.585 1.00 12.13 H new ATOM 0 HD21 ASN A 14 9.907 6.071 -16.204 1.00 25.41 H new ATOM 0 HD22 ASN A 14 10.447 7.737 -16.430 1.00 25.41 H new ATOM 200 N LEU A 15 16.163 8.310 -17.499 1.00 45.55 N ATOM 201 CA LEU A 15 17.044 9.462 -17.664 1.00 23.25 C ATOM 202 C LEU A 15 17.861 9.345 -18.945 1.00 42.22 C ATOM 203 O LEU A 15 19.092 9.310 -18.909 1.00 63.33 O ATOM 204 CB LEU A 15 17.978 9.590 -16.458 1.00 55.43 C ATOM 205 CG LEU A 15 18.392 8.280 -15.789 1.00 14.01 C ATOM 206 CD1 LEU A 15 19.052 7.350 -16.796 1.00 22.41 C ATOM 207 CD2 LEU A 15 19.325 8.550 -14.618 1.00 72.11 C ATOM 0 H LEU A 15 16.569 7.423 -17.798 1.00 45.55 H new ATOM 0 HA LEU A 15 16.424 10.356 -17.733 1.00 23.25 H new ATOM 0 HB2 LEU A 15 18.880 10.113 -16.776 1.00 55.43 H new ATOM 0 HB3 LEU A 15 17.491 10.218 -15.712 1.00 55.43 H new ATOM 0 HG LEU A 15 17.496 7.791 -15.408 1.00 14.01 H new ATOM 0 HD11 LEU A 15 19.340 6.423 -16.301 1.00 22.41 H new ATOM 0 HD12 LEU A 15 18.351 7.129 -17.601 1.00 22.41 H new ATOM 0 HD13 LEU A 15 19.939 7.831 -17.209 1.00 22.41 H new ATOM 0 HD21 LEU A 15 19.609 7.606 -14.154 1.00 72.11 H new ATOM 0 HD22 LEU A 15 20.218 9.062 -14.975 1.00 72.11 H new ATOM 0 HD23 LEU A 15 18.817 9.176 -13.885 1.00 72.11 H new ATOM 219 N LEU A 16 17.170 9.286 -20.078 1.00 72.34 N ATOM 220 CA LEU A 16 17.832 9.176 -21.373 1.00 52.41 C ATOM 221 C LEU A 16 18.277 10.546 -21.876 1.00 33.23 C ATOM 222 O LEU A 16 17.911 10.964 -22.974 1.00 75.23 O ATOM 223 CB LEU A 16 16.896 8.526 -22.393 1.00 14.15 C ATOM 224 CG LEU A 16 17.530 8.120 -23.725 1.00 24.15 C ATOM 225 CD1 LEU A 16 17.938 6.655 -23.696 1.00 54.33 C ATOM 226 CD2 LEU A 16 16.571 8.387 -24.875 1.00 54.13 C ATOM 0 H LEU A 16 16.151 9.312 -20.126 1.00 72.34 H new ATOM 0 HA LEU A 16 18.716 8.550 -21.249 1.00 52.41 H new ATOM 0 HB2 LEU A 16 16.456 7.639 -21.938 1.00 14.15 H new ATOM 0 HB3 LEU A 16 16.079 9.218 -22.599 1.00 14.15 H new ATOM 0 HG LEU A 16 18.425 8.722 -23.879 1.00 24.15 H new ATOM 0 HD11 LEU A 16 18.387 6.383 -24.651 1.00 54.33 H new ATOM 0 HD12 LEU A 16 18.661 6.494 -22.896 1.00 54.33 H new ATOM 0 HD13 LEU A 16 17.059 6.036 -23.519 1.00 54.33 H new ATOM 0 HD21 LEU A 16 17.039 8.092 -25.815 1.00 54.13 H new ATOM 0 HD22 LEU A 16 15.657 7.811 -24.728 1.00 54.13 H new ATOM 0 HD23 LEU A 16 16.329 9.449 -24.908 1.00 54.13 H new ATOM 238 N VAL A 17 19.071 11.238 -21.067 1.00 23.44 N ATOM 239 CA VAL A 17 19.570 12.559 -21.430 1.00 11.14 C ATOM 240 C VAL A 17 20.823 12.455 -22.291 1.00 25.21 C ATOM 241 O VAL A 17 21.433 11.391 -22.393 1.00 12.14 O ATOM 242 CB VAL A 17 19.887 13.403 -20.181 1.00 5.34 C ATOM 243 CG1 VAL A 17 18.673 13.479 -19.266 1.00 75.33 C ATOM 244 CG2 VAL A 17 21.087 12.830 -19.441 1.00 44.42 C ATOM 0 H VAL A 17 19.383 10.906 -20.155 1.00 23.44 H new ATOM 0 HA VAL A 17 18.781 13.050 -21.999 1.00 11.14 H new ATOM 0 HB VAL A 17 20.136 14.415 -20.501 1.00 5.34 H new ATOM 0 HG11 VAL A 17 18.915 14.079 -18.389 1.00 75.33 H new ATOM 0 HG12 VAL A 17 17.842 13.938 -19.801 1.00 75.33 H new ATOM 0 HG13 VAL A 17 18.391 12.474 -18.951 1.00 75.33 H new ATOM 0 HG21 VAL A 17 21.297 13.439 -18.561 1.00 44.42 H new ATOM 0 HG22 VAL A 17 20.869 11.808 -19.131 1.00 44.42 H new ATOM 0 HG23 VAL A 17 21.956 12.832 -20.099 1.00 44.42 H new ATOM 254 N TYR A 18 21.203 13.568 -22.909 1.00 40.21 N ATOM 255 CA TYR A 18 22.384 13.603 -23.764 1.00 3.45 C ATOM 256 C TYR A 18 23.353 14.689 -23.310 1.00 41.04 C ATOM 257 O TYR A 18 24.416 14.399 -22.760 1.00 70.02 O ATOM 258 CB TYR A 18 21.978 13.841 -25.219 1.00 74.24 C ATOM 259 CG TYR A 18 22.399 12.730 -26.156 1.00 20.54 C ATOM 260 CD1 TYR A 18 21.620 11.590 -26.306 1.00 53.02 C ATOM 261 CD2 TYR A 18 23.576 12.822 -26.889 1.00 12.23 C ATOM 262 CE1 TYR A 18 22.002 10.572 -27.159 1.00 4.34 C ATOM 263 CE2 TYR A 18 23.964 11.810 -27.745 1.00 14.51 C ATOM 264 CZ TYR A 18 23.175 10.687 -27.876 1.00 3.40 C ATOM 265 OH TYR A 18 23.557 9.676 -28.728 1.00 5.40 O ATOM 0 H TYR A 18 20.710 14.458 -22.834 1.00 40.21 H new ATOM 0 HA TYR A 18 22.886 12.639 -23.687 1.00 3.45 H new ATOM 0 HB2 TYR A 18 20.895 13.958 -25.271 1.00 74.24 H new ATOM 0 HB3 TYR A 18 22.416 14.779 -25.561 1.00 74.24 H new ATOM 0 HD1 TYR A 18 20.701 11.498 -25.747 1.00 53.02 H new ATOM 0 HD2 TYR A 18 24.198 13.699 -26.788 1.00 12.23 H new ATOM 0 HE1 TYR A 18 21.386 9.691 -27.264 1.00 4.34 H new ATOM 0 HE2 TYR A 18 24.881 11.898 -28.309 1.00 14.51 H new ATOM 0 HH TYR A 18 24.405 9.913 -29.157 1.00 5.40 H new ATOM 275 N VAL A 19 22.979 15.943 -23.545 1.00 43.11 N ATOM 276 CA VAL A 19 23.813 17.075 -23.158 1.00 54.42 C ATOM 277 C VAL A 19 23.396 17.629 -21.801 1.00 15.35 C ATOM 278 O VAL A 19 24.231 18.087 -21.022 1.00 55.54 O ATOM 279 CB VAL A 19 23.745 18.204 -24.204 1.00 63.21 C ATOM 280 CG1 VAL A 19 24.278 17.724 -25.545 1.00 14.41 C ATOM 281 CG2 VAL A 19 22.321 18.719 -24.340 1.00 11.45 C ATOM 0 H VAL A 19 22.104 16.201 -24.001 1.00 43.11 H new ATOM 0 HA VAL A 19 24.837 16.707 -23.096 1.00 54.42 H new ATOM 0 HB VAL A 19 24.374 19.027 -23.865 1.00 63.21 H new ATOM 0 HG11 VAL A 19 24.222 18.536 -26.270 1.00 14.41 H new ATOM 0 HG12 VAL A 19 25.315 17.409 -25.433 1.00 14.41 H new ATOM 0 HG13 VAL A 19 23.679 16.883 -25.894 1.00 14.41 H new ATOM 0 HG21 VAL A 19 22.292 19.516 -25.083 1.00 11.45 H new ATOM 0 HG22 VAL A 19 21.668 17.905 -24.655 1.00 11.45 H new ATOM 0 HG23 VAL A 19 21.981 19.106 -23.379 1.00 11.45 H new ATOM 291 N ASN A 20 22.097 17.581 -21.523 1.00 45.14 N ATOM 292 CA ASN A 20 21.567 18.078 -20.259 1.00 63.03 C ATOM 293 C ASN A 20 20.321 17.299 -19.847 1.00 75.43 C ATOM 294 O ASN A 20 20.338 16.557 -18.865 1.00 21.23 O ATOM 295 CB ASN A 20 21.236 19.568 -20.371 1.00 33.42 C ATOM 296 CG ASN A 20 22.448 20.448 -20.131 1.00 1.13 C ATOM 297 OD1 ASN A 20 22.948 20.543 -19.010 1.00 65.25 O ATOM 298 ND2 ASN A 20 22.926 21.096 -21.187 1.00 62.20 N ATOM 0 H ASN A 20 21.392 17.203 -22.156 1.00 45.14 H new ATOM 0 HA ASN A 20 22.331 17.938 -19.494 1.00 63.03 H new ATOM 0 HB2 ASN A 20 20.831 19.774 -21.362 1.00 33.42 H new ATOM 0 HB3 ASN A 20 20.458 19.820 -19.650 1.00 33.42 H new ATOM 0 HD21 ASN A 20 23.740 21.703 -21.088 1.00 62.20 H new ATOM 0 HD22 ASN A 20 22.479 20.987 -22.097 1.00 62.20 H new ATOM 305 N TRP A 21 19.244 17.473 -20.605 1.00 31.41 N ATOM 306 CA TRP A 21 17.990 16.786 -20.319 1.00 50.01 C ATOM 307 C TRP A 21 17.487 16.038 -21.549 1.00 23.14 C ATOM 308 O TRP A 21 16.913 14.955 -21.437 1.00 23.34 O ATOM 309 CB TRP A 21 16.934 17.785 -19.847 1.00 22.04 C ATOM 310 CG TRP A 21 16.251 18.503 -20.971 1.00 3.31 C ATOM 311 CD1 TRP A 21 14.987 18.280 -21.438 1.00 0.11 C ATOM 312 CD2 TRP A 21 16.794 19.558 -21.770 1.00 65.54 C ATOM 313 NE1 TRP A 21 14.713 19.133 -22.480 1.00 44.21 N ATOM 314 CE2 TRP A 21 15.805 19.928 -22.702 1.00 63.33 C ATOM 315 CE3 TRP A 21 18.021 20.230 -21.787 1.00 13.42 C ATOM 316 CZ2 TRP A 21 16.007 20.938 -23.641 1.00 74.21 C ATOM 317 CZ3 TRP A 21 18.219 21.230 -22.720 1.00 63.24 C ATOM 318 CH2 TRP A 21 17.217 21.577 -23.635 1.00 32.31 C ATOM 0 H TRP A 21 19.214 18.083 -21.422 1.00 31.41 H new ATOM 0 HA TRP A 21 18.174 16.061 -19.526 1.00 50.01 H new ATOM 0 HB2 TRP A 21 16.186 17.259 -19.254 1.00 22.04 H new ATOM 0 HB3 TRP A 21 17.404 18.517 -19.190 1.00 22.04 H new ATOM 0 HD1 TRP A 21 14.303 17.542 -21.046 1.00 0.11 H new ATOM 0 HE1 TRP A 21 13.838 19.168 -23.003 1.00 44.21 H new ATOM 0 HE3 TRP A 21 18.799 19.972 -21.084 1.00 13.42 H new ATOM 0 HZ2 TRP A 21 15.236 21.207 -24.348 1.00 74.21 H new ATOM 0 HZ3 TRP A 21 19.163 21.753 -22.744 1.00 63.24 H new ATOM 0 HH2 TRP A 21 17.403 22.365 -24.350 1.00 32.31 H new ATOM 329 N SER A 22 17.706 16.622 -22.722 1.00 63.25 N ATOM 330 CA SER A 22 17.272 16.012 -23.973 1.00 10.10 C ATOM 331 C SER A 22 15.862 15.445 -23.840 1.00 44.10 C ATOM 332 O SER A 22 15.668 14.230 -23.822 1.00 62.01 O ATOM 333 CB SER A 22 18.241 14.905 -24.389 1.00 34.05 C ATOM 334 OG SER A 22 18.231 14.718 -25.794 1.00 21.11 O ATOM 0 H SER A 22 18.182 17.517 -22.832 1.00 63.25 H new ATOM 0 HA SER A 22 17.264 16.785 -24.741 1.00 10.10 H new ATOM 0 HB2 SER A 22 19.249 15.158 -24.060 1.00 34.05 H new ATOM 0 HB3 SER A 22 17.968 13.973 -23.893 1.00 34.05 H new ATOM 0 HG SER A 22 18.860 14.006 -26.034 1.00 21.11 H new ATOM 340 N SER A 23 14.879 16.336 -23.747 1.00 2.14 N ATOM 341 CA SER A 23 13.486 15.926 -23.611 1.00 2.23 C ATOM 342 C SER A 23 13.292 15.067 -22.365 1.00 34.01 C ATOM 343 O SER A 23 13.619 13.879 -22.359 1.00 60.13 O ATOM 344 CB SER A 23 13.036 15.154 -24.852 1.00 42.13 C ATOM 345 OG SER A 23 13.680 15.641 -26.017 1.00 12.11 O ATOM 0 H SER A 23 15.022 17.346 -23.763 1.00 2.14 H new ATOM 0 HA SER A 23 12.877 16.824 -23.510 1.00 2.23 H new ATOM 0 HB2 SER A 23 13.259 14.094 -24.726 1.00 42.13 H new ATOM 0 HB3 SER A 23 11.956 15.241 -24.966 1.00 42.13 H new ATOM 0 HG SER A 23 13.377 15.130 -26.796 1.00 12.11 H new ATOM 351 N TYR A 24 12.758 15.675 -21.312 1.00 11.23 N ATOM 352 CA TYR A 24 12.521 14.966 -20.059 1.00 61.02 C ATOM 353 C TYR A 24 11.785 13.653 -20.306 1.00 60.44 C ATOM 354 O TYR A 24 11.126 13.465 -21.328 1.00 10.24 O ATOM 355 CB TYR A 24 11.716 15.843 -19.098 1.00 15.20 C ATOM 356 CG TYR A 24 12.537 16.406 -17.960 1.00 53.11 C ATOM 357 CD1 TYR A 24 13.826 16.879 -18.175 1.00 33.02 C ATOM 358 CD2 TYR A 24 12.025 16.464 -16.670 1.00 11.24 C ATOM 359 CE1 TYR A 24 14.580 17.394 -17.137 1.00 15.11 C ATOM 360 CE2 TYR A 24 12.771 16.978 -15.627 1.00 50.21 C ATOM 361 CZ TYR A 24 14.047 17.441 -15.866 1.00 72.35 C ATOM 362 OH TYR A 24 14.795 17.953 -14.829 1.00 52.13 O ATOM 0 H TYR A 24 12.481 16.657 -21.300 1.00 11.23 H new ATOM 0 HA TYR A 24 13.488 14.739 -19.610 1.00 61.02 H new ATOM 0 HB2 TYR A 24 11.272 16.667 -19.657 1.00 15.20 H new ATOM 0 HB3 TYR A 24 10.894 15.257 -18.687 1.00 15.20 H new ATOM 0 HD1 TYR A 24 14.246 16.844 -19.170 1.00 33.02 H new ATOM 0 HD2 TYR A 24 11.026 16.101 -16.479 1.00 11.24 H new ATOM 0 HE1 TYR A 24 15.580 17.757 -17.320 1.00 15.11 H new ATOM 0 HE2 TYR A 24 12.357 17.017 -14.630 1.00 50.21 H new ATOM 0 HH TYR A 24 14.274 17.915 -14.000 1.00 52.13 H new ATOM 372 N PRO A 25 11.899 12.723 -19.346 1.00 75.34 N ATOM 373 CA PRO A 25 11.252 11.411 -19.434 1.00 14.40 C ATOM 374 C PRO A 25 9.735 11.504 -19.300 1.00 74.02 C ATOM 375 O PRO A 25 9.221 12.176 -18.407 1.00 44.43 O ATOM 376 CB PRO A 25 11.847 10.641 -18.253 1.00 74.34 C ATOM 377 CG PRO A 25 12.249 11.694 -17.279 1.00 55.41 C ATOM 378 CD PRO A 25 12.670 12.880 -18.102 1.00 62.13 C ATOM 0 HA PRO A 25 11.424 10.935 -20.400 1.00 14.40 H new ATOM 0 HB2 PRO A 25 11.118 9.957 -17.818 1.00 74.34 H new ATOM 0 HB3 PRO A 25 12.702 10.040 -18.562 1.00 74.34 H new ATOM 0 HG2 PRO A 25 11.421 11.951 -16.619 1.00 55.41 H new ATOM 0 HG3 PRO A 25 13.066 11.348 -16.646 1.00 55.41 H new ATOM 0 HD2 PRO A 25 12.437 13.820 -17.601 1.00 62.13 H new ATOM 0 HD3 PRO A 25 13.743 12.877 -18.291 1.00 62.13 H new ATOM 386 N LYS A 26 9.025 10.823 -20.193 1.00 60.14 N ATOM 387 CA LYS A 26 7.567 10.826 -20.175 1.00 0.23 C ATOM 388 C LYS A 26 7.037 10.091 -18.948 1.00 24.01 C ATOM 389 O LYS A 26 7.548 9.034 -18.576 1.00 55.15 O ATOM 390 CB LYS A 26 7.018 10.177 -21.448 1.00 63.44 C ATOM 391 CG LYS A 26 5.620 9.607 -21.286 1.00 75.51 C ATOM 392 CD LYS A 26 5.658 8.133 -20.917 1.00 43.34 C ATOM 393 CE LYS A 26 4.296 7.480 -21.090 1.00 51.33 C ATOM 394 NZ LYS A 26 4.315 6.044 -20.698 1.00 73.21 N ATOM 0 H LYS A 26 9.436 10.262 -20.939 1.00 60.14 H new ATOM 0 HA LYS A 26 7.232 11.862 -20.130 1.00 0.23 H new ATOM 0 HB2 LYS A 26 7.009 10.917 -22.248 1.00 63.44 H new ATOM 0 HB3 LYS A 26 7.693 9.379 -21.759 1.00 63.44 H new ATOM 0 HG2 LYS A 26 5.087 10.162 -20.515 1.00 75.51 H new ATOM 0 HG3 LYS A 26 5.063 9.736 -22.214 1.00 75.51 H new ATOM 0 HD2 LYS A 26 6.391 7.620 -21.540 1.00 43.34 H new ATOM 0 HD3 LYS A 26 5.986 8.024 -19.883 1.00 43.34 H new ATOM 0 HE2 LYS A 26 3.560 8.011 -20.487 1.00 51.33 H new ATOM 0 HE3 LYS A 26 3.980 7.568 -22.130 1.00 51.33 H new ATOM 0 HZ1 LYS A 26 3.345 5.725 -20.503 1.00 73.21 H new ATOM 0 HZ2 LYS A 26 4.717 5.478 -21.473 1.00 73.21 H new ATOM 0 HZ3 LYS A 26 4.897 5.925 -19.844 1.00 73.21 H new ATOM 408 N TYR A 27 6.010 10.656 -18.323 1.00 0.10 N ATOM 409 CA TYR A 27 5.411 10.054 -17.138 1.00 72.54 C ATOM 410 C TYR A 27 5.127 8.572 -17.363 1.00 55.04 C ATOM 411 O TYR A 27 4.365 8.205 -18.257 1.00 21.15 O ATOM 412 CB TYR A 27 4.118 10.783 -16.767 1.00 54.51 C ATOM 413 CG TYR A 27 2.995 9.854 -16.364 1.00 45.25 C ATOM 414 CD1 TYR A 27 3.040 9.160 -15.162 1.00 2.05 C ATOM 415 CD2 TYR A 27 1.888 9.673 -17.184 1.00 71.24 C ATOM 416 CE1 TYR A 27 2.015 8.310 -14.789 1.00 75.21 C ATOM 417 CE2 TYR A 27 0.859 8.826 -16.819 1.00 52.04 C ATOM 418 CZ TYR A 27 0.927 8.148 -15.621 1.00 35.43 C ATOM 419 OH TYR A 27 -0.095 7.303 -15.253 1.00 32.42 O ATOM 0 H TYR A 27 5.575 11.530 -18.617 1.00 0.10 H new ATOM 0 HA TYR A 27 6.121 10.148 -16.316 1.00 72.54 H new ATOM 0 HB2 TYR A 27 4.321 11.471 -15.947 1.00 54.51 H new ATOM 0 HB3 TYR A 27 3.794 11.385 -17.616 1.00 54.51 H new ATOM 0 HD1 TYR A 27 3.890 9.286 -14.508 1.00 2.05 H new ATOM 0 HD2 TYR A 27 1.831 10.204 -18.123 1.00 71.24 H new ATOM 0 HE1 TYR A 27 2.066 7.776 -13.852 1.00 75.21 H new ATOM 0 HE2 TYR A 27 0.006 8.696 -17.469 1.00 52.04 H new ATOM 0 HH TYR A 27 -0.586 7.692 -14.500 1.00 32.42 H new ATOM 429 N GLU A 28 5.746 7.726 -16.545 1.00 65.33 N ATOM 430 CA GLU A 28 5.560 6.285 -16.655 1.00 13.33 C ATOM 431 C GLU A 28 4.468 5.803 -15.705 1.00 1.34 C ATOM 432 O GLU A 28 4.614 5.837 -14.482 1.00 51.44 O ATOM 433 CB GLU A 28 6.871 5.554 -16.355 1.00 64.21 C ATOM 434 CG GLU A 28 6.960 4.177 -16.991 1.00 42.02 C ATOM 435 CD GLU A 28 7.703 3.181 -16.123 1.00 11.44 C ATOM 436 OE1 GLU A 28 8.443 3.617 -15.217 1.00 64.05 O ATOM 437 OE2 GLU A 28 7.542 1.963 -16.349 1.00 2.13 O ATOM 0 H GLU A 28 6.380 8.014 -15.800 1.00 65.33 H new ATOM 0 HA GLU A 28 5.253 6.062 -17.677 1.00 13.33 H new ATOM 0 HB2 GLU A 28 7.705 6.162 -16.707 1.00 64.21 H new ATOM 0 HB3 GLU A 28 6.983 5.454 -15.275 1.00 64.21 H new ATOM 0 HG2 GLU A 28 5.954 3.805 -17.185 1.00 42.02 H new ATOM 0 HG3 GLU A 28 7.461 4.258 -17.955 1.00 42.02 H new ATOM 444 N PRO A 29 3.345 5.343 -16.278 1.00 63.31 N ATOM 445 CA PRO A 29 2.207 4.846 -15.500 1.00 51.32 C ATOM 446 C PRO A 29 2.511 3.522 -14.809 1.00 25.45 C ATOM 447 O PRO A 29 2.962 2.568 -15.441 1.00 2.34 O ATOM 448 CB PRO A 29 1.113 4.658 -16.555 1.00 33.33 C ATOM 449 CG PRO A 29 1.850 4.448 -17.833 1.00 35.13 C ATOM 450 CD PRO A 29 3.102 5.273 -17.728 1.00 71.45 C ATOM 0 HA PRO A 29 1.933 5.530 -14.697 1.00 51.32 H new ATOM 0 HB2 PRO A 29 0.478 3.804 -16.319 1.00 33.33 H new ATOM 0 HB3 PRO A 29 0.464 5.532 -16.612 1.00 33.33 H new ATOM 0 HG2 PRO A 29 2.088 3.394 -17.978 1.00 35.13 H new ATOM 0 HG3 PRO A 29 1.248 4.759 -18.687 1.00 35.13 H new ATOM 0 HD2 PRO A 29 3.936 4.806 -18.253 1.00 71.45 H new ATOM 0 HD3 PRO A 29 2.967 6.264 -18.161 1.00 71.45 H new ATOM 458 N GLY A 30 2.261 3.471 -13.503 1.00 23.44 N ATOM 459 CA GLY A 30 2.515 2.259 -12.746 1.00 62.03 C ATOM 460 C GLY A 30 3.814 2.323 -11.967 1.00 10.14 C ATOM 461 O GLY A 30 4.390 1.292 -11.619 1.00 61.20 O ATOM 0 H GLY A 30 1.887 4.247 -12.957 1.00 23.44 H new ATOM 0 HA2 GLY A 30 1.689 2.086 -12.056 1.00 62.03 H new ATOM 0 HA3 GLY A 30 2.545 1.409 -13.427 1.00 62.03 H new ATOM 465 N LYS A 31 4.278 3.537 -11.693 1.00 64.04 N ATOM 466 CA LYS A 31 5.517 3.734 -10.950 1.00 33.20 C ATOM 467 C LYS A 31 5.347 4.807 -9.880 1.00 43.12 C ATOM 468 O LYS A 31 5.061 5.964 -10.190 1.00 72.14 O ATOM 469 CB LYS A 31 6.650 4.122 -11.903 1.00 64.23 C ATOM 470 CG LYS A 31 7.892 4.633 -11.193 1.00 73.24 C ATOM 471 CD LYS A 31 9.147 4.377 -12.012 1.00 73.51 C ATOM 472 CE LYS A 31 9.468 2.892 -12.091 1.00 42.33 C ATOM 473 NZ LYS A 31 10.932 2.635 -11.998 1.00 43.43 N ATOM 0 H LYS A 31 3.814 4.401 -11.975 1.00 64.04 H new ATOM 0 HA LYS A 31 5.769 2.795 -10.458 1.00 33.20 H new ATOM 0 HB2 LYS A 31 6.918 3.256 -12.508 1.00 64.23 H new ATOM 0 HB3 LYS A 31 6.291 4.890 -12.588 1.00 64.23 H new ATOM 0 HG2 LYS A 31 7.791 5.702 -11.005 1.00 73.24 H new ATOM 0 HG3 LYS A 31 7.984 4.146 -10.222 1.00 73.24 H new ATOM 0 HD2 LYS A 31 9.014 4.776 -13.018 1.00 73.51 H new ATOM 0 HD3 LYS A 31 9.988 4.909 -11.567 1.00 73.51 H new ATOM 0 HE2 LYS A 31 8.955 2.366 -11.286 1.00 42.33 H new ATOM 0 HE3 LYS A 31 9.087 2.488 -13.029 1.00 42.33 H new ATOM 0 HZ1 LYS A 31 11.109 1.612 -12.056 1.00 43.43 H new ATOM 0 HZ2 LYS A 31 11.419 3.116 -12.781 1.00 43.43 H new ATOM 0 HZ3 LYS A 31 11.291 2.998 -11.092 1.00 43.43 H new ATOM 487 N GLU A 32 5.524 4.417 -8.622 1.00 34.02 N ATOM 488 CA GLU A 32 5.390 5.348 -7.508 1.00 35.13 C ATOM 489 C GLU A 32 6.146 6.643 -7.787 1.00 75.45 C ATOM 490 O GLU A 32 7.193 6.636 -8.437 1.00 1.31 O ATOM 491 CB GLU A 32 5.908 4.711 -6.216 1.00 14.51 C ATOM 492 CG GLU A 32 4.809 4.372 -5.223 1.00 71.03 C ATOM 493 CD GLU A 32 3.606 3.724 -5.881 1.00 44.14 C ATOM 494 OE1 GLU A 32 3.802 2.912 -6.809 1.00 24.10 O ATOM 495 OE2 GLU A 32 2.469 4.032 -5.467 1.00 2.24 O ATOM 0 H GLU A 32 5.760 3.463 -8.349 1.00 34.02 H new ATOM 0 HA GLU A 32 4.332 5.583 -7.390 1.00 35.13 H new ATOM 0 HB2 GLU A 32 6.456 3.802 -6.463 1.00 14.51 H new ATOM 0 HB3 GLU A 32 6.616 5.392 -5.743 1.00 14.51 H new ATOM 0 HG2 GLU A 32 5.207 3.701 -4.462 1.00 71.03 H new ATOM 0 HG3 GLU A 32 4.493 5.282 -4.712 1.00 71.03 H new ATOM 502 N TYR A 33 5.609 7.753 -7.293 1.00 63.54 N ATOM 503 CA TYR A 33 6.231 9.057 -7.491 1.00 75.41 C ATOM 504 C TYR A 33 6.309 9.829 -6.178 1.00 31.25 C ATOM 505 O TYR A 33 5.290 10.253 -5.633 1.00 42.02 O ATOM 506 CB TYR A 33 5.448 9.867 -8.526 1.00 71.50 C ATOM 507 CG TYR A 33 5.594 9.346 -9.938 1.00 13.45 C ATOM 508 CD1 TYR A 33 6.802 9.448 -10.616 1.00 64.22 C ATOM 509 CD2 TYR A 33 4.523 8.752 -10.594 1.00 4.12 C ATOM 510 CE1 TYR A 33 6.939 8.975 -11.907 1.00 1.03 C ATOM 511 CE2 TYR A 33 4.651 8.274 -11.883 1.00 53.25 C ATOM 512 CZ TYR A 33 5.860 8.388 -12.536 1.00 74.53 C ATOM 513 OH TYR A 33 5.993 7.914 -13.821 1.00 10.10 O ATOM 0 H TYR A 33 4.744 7.776 -6.752 1.00 63.54 H new ATOM 0 HA TYR A 33 7.245 8.895 -7.857 1.00 75.41 H new ATOM 0 HB2 TYR A 33 4.392 9.865 -8.254 1.00 71.50 H new ATOM 0 HB3 TYR A 33 5.783 10.904 -8.493 1.00 71.50 H new ATOM 0 HD1 TYR A 33 7.649 9.905 -10.126 1.00 64.22 H new ATOM 0 HD2 TYR A 33 3.574 8.663 -10.087 1.00 4.12 H new ATOM 0 HE1 TYR A 33 7.885 9.064 -12.421 1.00 1.03 H new ATOM 0 HE2 TYR A 33 3.808 7.813 -12.377 1.00 53.25 H new ATOM 0 HH TYR A 33 5.755 6.964 -13.845 1.00 10.10 H new ATOM 523 N ASN A 34 7.526 10.007 -5.674 1.00 63.22 N ATOM 524 CA ASN A 34 7.738 10.728 -4.424 1.00 52.44 C ATOM 525 C ASN A 34 7.630 12.235 -4.640 1.00 61.53 C ATOM 526 O ASN A 34 7.579 12.706 -5.775 1.00 41.23 O ATOM 527 CB ASN A 34 9.108 10.383 -3.838 1.00 72.25 C ATOM 528 CG ASN A 34 9.154 8.982 -3.259 1.00 43.53 C ATOM 529 OD1 ASN A 34 9.287 8.803 -2.048 1.00 72.13 O ATOM 530 ND2 ASN A 34 9.040 7.980 -4.123 1.00 74.45 N ATOM 0 H ASN A 34 8.380 9.662 -6.112 1.00 63.22 H new ATOM 0 HA ASN A 34 6.962 10.423 -3.722 1.00 52.44 H new ATOM 0 HB2 ASN A 34 9.866 10.477 -4.615 1.00 72.25 H new ATOM 0 HB3 ASN A 34 9.359 11.103 -3.059 1.00 72.25 H new ATOM 0 HD21 ASN A 34 9.061 7.016 -3.791 1.00 74.45 H new ATOM 0 HD22 ASN A 34 8.931 8.175 -5.118 1.00 74.45 H new ATOM 537 N GLN A 35 7.597 12.984 -3.542 1.00 73.23 N ATOM 538 CA GLN A 35 7.495 14.437 -3.612 1.00 34.22 C ATOM 539 C GLN A 35 8.730 15.038 -4.275 1.00 15.33 C ATOM 540 O GLN A 35 9.859 14.651 -3.975 1.00 63.50 O ATOM 541 CB GLN A 35 7.317 15.024 -2.211 1.00 61.23 C ATOM 542 CG GLN A 35 8.604 15.075 -1.405 1.00 64.45 C ATOM 543 CD GLN A 35 9.205 13.703 -1.176 1.00 32.25 C ATOM 544 OE1 GLN A 35 8.396 12.779 -0.670 1.00 21.24 O flip ATOM 545 NE2 GLN A 35 10.384 13.474 -1.451 1.00 52.42 N flip ATOM 0 H GLN A 35 7.639 12.609 -2.594 1.00 73.23 H new ATOM 0 HA GLN A 35 6.623 14.687 -4.217 1.00 34.22 H new ATOM 0 HB2 GLN A 35 6.912 16.032 -2.297 1.00 61.23 H new ATOM 0 HB3 GLN A 35 6.581 14.430 -1.668 1.00 61.23 H new ATOM 0 HG2 GLN A 35 9.328 15.702 -1.924 1.00 64.45 H new ATOM 0 HG3 GLN A 35 8.406 15.546 -0.442 1.00 64.45 H new ATOM 0 HE21 GLN A 35 10.970 14.213 -1.838 1.00 52.42 H new ATOM 0 HE22 GLN A 35 10.774 12.545 -1.291 1.00 52.42 H new ATOM 554 N GLY A 36 8.508 15.986 -5.181 1.00 11.35 N ATOM 555 CA GLY A 36 9.611 16.624 -5.872 1.00 72.34 C ATOM 556 C GLY A 36 9.905 15.981 -7.213 1.00 60.44 C ATOM 557 O GLY A 36 10.547 16.586 -8.073 1.00 20.41 O ATOM 0 H GLY A 36 7.583 16.323 -5.448 1.00 11.35 H new ATOM 0 HA2 GLY A 36 9.381 17.679 -6.021 1.00 72.34 H new ATOM 0 HA3 GLY A 36 10.503 16.578 -5.247 1.00 72.34 H new ATOM 561 N ASP A 37 9.437 14.752 -7.393 1.00 34.32 N ATOM 562 CA ASP A 37 9.655 14.024 -8.638 1.00 52.14 C ATOM 563 C ASP A 37 9.088 14.798 -9.825 1.00 64.51 C ATOM 564 O ASP A 37 7.941 15.246 -9.795 1.00 51.00 O ATOM 565 CB ASP A 37 9.012 12.639 -8.563 1.00 72.12 C ATOM 566 CG ASP A 37 9.728 11.720 -7.593 1.00 61.23 C ATOM 567 OD1 ASP A 37 10.211 12.215 -6.553 1.00 51.01 O ATOM 568 OD2 ASP A 37 9.806 10.505 -7.873 1.00 42.05 O ATOM 0 H ASP A 37 8.903 14.238 -6.692 1.00 34.32 H new ATOM 0 HA ASP A 37 10.730 13.910 -8.781 1.00 52.14 H new ATOM 0 HB2 ASP A 37 7.970 12.741 -8.260 1.00 72.12 H new ATOM 0 HB3 ASP A 37 9.013 12.187 -9.555 1.00 72.12 H new ATOM 573 N ILE A 38 9.899 14.953 -10.865 1.00 0.31 N ATOM 574 CA ILE A 38 9.478 15.672 -12.061 1.00 44.22 C ATOM 575 C ILE A 38 9.422 14.744 -13.270 1.00 2.44 C ATOM 576 O ILE A 38 10.353 13.981 -13.524 1.00 54.12 O ATOM 577 CB ILE A 38 10.424 16.847 -12.374 1.00 42.21 C ATOM 578 CG1 ILE A 38 10.457 17.829 -11.201 1.00 71.21 C ATOM 579 CG2 ILE A 38 9.988 17.552 -13.650 1.00 72.52 C ATOM 580 CD1 ILE A 38 11.507 18.908 -11.346 1.00 70.10 C ATOM 0 H ILE A 38 10.852 14.590 -10.904 1.00 0.31 H new ATOM 0 HA ILE A 38 8.481 16.062 -11.859 1.00 44.22 H new ATOM 0 HB ILE A 38 11.430 16.455 -12.524 1.00 42.21 H new ATOM 0 HG12 ILE A 38 9.478 18.297 -11.102 1.00 71.21 H new ATOM 0 HG13 ILE A 38 10.641 17.276 -10.280 1.00 71.21 H new ATOM 0 HG21 ILE A 38 10.666 18.380 -13.858 1.00 72.52 H new ATOM 0 HG22 ILE A 38 10.010 16.847 -14.481 1.00 72.52 H new ATOM 0 HG23 ILE A 38 8.975 17.935 -13.526 1.00 72.52 H new ATOM 0 HD11 ILE A 38 11.473 19.568 -10.479 1.00 70.10 H new ATOM 0 HD12 ILE A 38 12.493 18.449 -11.414 1.00 70.10 H new ATOM 0 HD13 ILE A 38 11.312 19.486 -12.249 1.00 70.10 H new ATOM 592 N VAL A 39 8.321 14.816 -14.014 1.00 71.42 N ATOM 593 CA VAL A 39 8.144 13.985 -15.198 1.00 73.24 C ATOM 594 C VAL A 39 7.447 14.758 -16.312 1.00 62.00 C ATOM 595 O VAL A 39 6.555 15.566 -16.056 1.00 60.35 O ATOM 596 CB VAL A 39 7.328 12.719 -14.878 1.00 30.24 C ATOM 597 CG1 VAL A 39 7.906 12.002 -13.667 1.00 50.41 C ATOM 598 CG2 VAL A 39 5.865 13.072 -14.650 1.00 50.22 C ATOM 0 H VAL A 39 7.540 15.441 -13.817 1.00 71.42 H new ATOM 0 HA VAL A 39 9.140 13.692 -15.531 1.00 73.24 H new ATOM 0 HB VAL A 39 7.387 12.044 -15.732 1.00 30.24 H new ATOM 0 HG11 VAL A 39 7.316 11.110 -13.456 1.00 50.41 H new ATOM 0 HG12 VAL A 39 8.937 11.715 -13.872 1.00 50.41 H new ATOM 0 HG13 VAL A 39 7.879 12.667 -12.804 1.00 50.41 H new ATOM 0 HG21 VAL A 39 5.303 12.166 -14.425 1.00 50.22 H new ATOM 0 HG22 VAL A 39 5.784 13.766 -13.813 1.00 50.22 H new ATOM 0 HG23 VAL A 39 5.459 13.537 -15.548 1.00 50.22 H new ATOM 608 N GLU A 40 7.860 14.503 -17.550 1.00 34.24 N ATOM 609 CA GLU A 40 7.274 15.175 -18.704 1.00 31.10 C ATOM 610 C GLU A 40 6.020 14.448 -19.178 1.00 44.32 C ATOM 611 O GLU A 40 5.907 13.230 -19.045 1.00 1.22 O ATOM 612 CB GLU A 40 8.292 15.257 -19.844 1.00 3.33 C ATOM 613 CG GLU A 40 7.701 15.757 -21.152 1.00 13.34 C ATOM 614 CD GLU A 40 8.707 15.753 -22.286 1.00 53.40 C ATOM 615 OE1 GLU A 40 9.921 15.669 -22.003 1.00 11.51 O ATOM 616 OE2 GLU A 40 8.280 15.834 -23.457 1.00 34.42 O ATOM 0 H GLU A 40 8.597 13.837 -17.779 1.00 34.24 H new ATOM 0 HA GLU A 40 6.995 16.184 -18.402 1.00 31.10 H new ATOM 0 HB2 GLU A 40 9.106 15.918 -19.546 1.00 3.33 H new ATOM 0 HB3 GLU A 40 8.726 14.270 -20.005 1.00 3.33 H new ATOM 0 HG2 GLU A 40 6.850 15.132 -21.424 1.00 13.34 H new ATOM 0 HG3 GLU A 40 7.322 16.769 -21.011 1.00 13.34 H new ATOM 623 N TYR A 41 5.079 15.205 -19.733 1.00 22.14 N ATOM 624 CA TYR A 41 3.830 14.634 -20.225 1.00 61.33 C ATOM 625 C TYR A 41 3.208 15.527 -21.294 1.00 34.30 C ATOM 626 O TYR A 41 2.915 16.696 -21.049 1.00 42.33 O ATOM 627 CB TYR A 41 2.845 14.439 -19.072 1.00 20.44 C ATOM 628 CG TYR A 41 1.464 14.015 -19.519 1.00 73.15 C ATOM 629 CD1 TYR A 41 0.511 14.959 -19.881 1.00 32.10 C ATOM 630 CD2 TYR A 41 1.115 12.673 -19.582 1.00 34.32 C ATOM 631 CE1 TYR A 41 -0.752 14.576 -20.290 1.00 50.23 C ATOM 632 CE2 TYR A 41 -0.145 12.280 -19.992 1.00 70.22 C ATOM 633 CZ TYR A 41 -1.075 13.236 -20.345 1.00 24.05 C ATOM 634 OH TYR A 41 -2.331 12.851 -20.753 1.00 22.03 O ATOM 0 H TYR A 41 5.157 16.215 -19.853 1.00 22.14 H new ATOM 0 HA TYR A 41 4.053 13.665 -20.671 1.00 61.33 H new ATOM 0 HB2 TYR A 41 3.243 13.689 -18.389 1.00 20.44 H new ATOM 0 HB3 TYR A 41 2.766 15.370 -18.511 1.00 20.44 H new ATOM 0 HD1 TYR A 41 0.761 16.009 -19.842 1.00 32.10 H new ATOM 0 HD2 TYR A 41 1.841 11.923 -19.306 1.00 34.32 H new ATOM 0 HE1 TYR A 41 -1.483 15.322 -20.565 1.00 50.23 H new ATOM 0 HE2 TYR A 41 -0.400 11.231 -20.036 1.00 70.22 H new ATOM 0 HH TYR A 41 -2.395 11.873 -20.736 1.00 22.03 H new ATOM 644 N ASN A 42 3.009 14.965 -22.482 1.00 2.32 N ATOM 645 CA ASN A 42 2.420 15.708 -23.590 1.00 62.12 C ATOM 646 C ASN A 42 3.216 16.979 -23.876 1.00 34.25 C ATOM 647 O ASN A 42 2.678 17.959 -24.389 1.00 52.54 O ATOM 648 CB ASN A 42 0.965 16.065 -23.278 1.00 30.44 C ATOM 649 CG ASN A 42 0.211 16.541 -24.504 1.00 42.31 C ATOM 650 OD1 ASN A 42 0.522 16.149 -25.629 1.00 43.24 O ATOM 651 ND2 ASN A 42 -0.788 17.391 -24.291 1.00 34.44 N ATOM 0 H ASN A 42 3.247 13.998 -22.702 1.00 2.32 H new ATOM 0 HA ASN A 42 2.449 15.073 -24.476 1.00 62.12 H new ATOM 0 HB2 ASN A 42 0.461 15.193 -22.861 1.00 30.44 H new ATOM 0 HB3 ASN A 42 0.940 16.843 -22.515 1.00 30.44 H new ATOM 0 HD21 ASN A 42 -1.332 17.746 -25.077 1.00 34.44 H new ATOM 0 HD22 ASN A 42 -1.010 17.689 -23.341 1.00 34.44 H new ATOM 658 N GLY A 43 4.502 16.952 -23.541 1.00 62.22 N ATOM 659 CA GLY A 43 5.352 18.107 -23.769 1.00 4.33 C ATOM 660 C GLY A 43 5.281 19.113 -22.636 1.00 53.33 C ATOM 661 O GLY A 43 5.585 20.291 -22.823 1.00 5.45 O ATOM 0 H GLY A 43 4.971 16.152 -23.116 1.00 62.22 H new ATOM 0 HA2 GLY A 43 6.383 17.776 -23.893 1.00 4.33 H new ATOM 0 HA3 GLY A 43 5.059 18.592 -24.700 1.00 4.33 H new ATOM 665 N LYS A 44 4.877 18.647 -21.460 1.00 24.41 N ATOM 666 CA LYS A 44 4.766 19.513 -20.292 1.00 42.22 C ATOM 667 C LYS A 44 5.718 19.063 -19.188 1.00 44.32 C ATOM 668 O LYS A 44 6.491 18.121 -19.367 1.00 22.24 O ATOM 669 CB LYS A 44 3.328 19.518 -19.769 1.00 45.44 C ATOM 670 CG LYS A 44 2.346 20.213 -20.697 1.00 42.22 C ATOM 671 CD LYS A 44 1.616 21.344 -19.991 1.00 71.40 C ATOM 672 CE LYS A 44 1.005 22.320 -20.984 1.00 51.31 C ATOM 673 NZ LYS A 44 0.826 23.674 -20.392 1.00 41.34 N ATOM 0 H LYS A 44 4.621 17.674 -21.290 1.00 24.41 H new ATOM 0 HA LYS A 44 5.040 20.524 -20.594 1.00 42.22 H new ATOM 0 HB2 LYS A 44 3.003 18.489 -19.614 1.00 45.44 H new ATOM 0 HB3 LYS A 44 3.306 20.009 -18.796 1.00 45.44 H new ATOM 0 HG2 LYS A 44 2.879 20.607 -21.563 1.00 42.22 H new ATOM 0 HG3 LYS A 44 1.622 19.489 -21.071 1.00 42.22 H new ATOM 0 HD2 LYS A 44 0.832 20.932 -19.356 1.00 71.40 H new ATOM 0 HD3 LYS A 44 2.309 21.874 -19.338 1.00 71.40 H new ATOM 0 HE2 LYS A 44 1.644 22.390 -21.864 1.00 51.31 H new ATOM 0 HE3 LYS A 44 0.040 21.940 -21.320 1.00 51.31 H new ATOM 0 HZ1 LYS A 44 0.009 24.141 -20.835 1.00 41.34 H new ATOM 0 HZ2 LYS A 44 0.662 23.587 -19.369 1.00 41.34 H new ATOM 0 HZ3 LYS A 44 1.681 24.242 -20.559 1.00 41.34 H new ATOM 687 N LEU A 45 5.655 19.741 -18.047 1.00 33.13 N ATOM 688 CA LEU A 45 6.510 19.408 -16.912 1.00 1.42 C ATOM 689 C LEU A 45 5.767 19.603 -15.595 1.00 64.12 C ATOM 690 O LEU A 45 5.413 20.725 -15.230 1.00 43.42 O ATOM 691 CB LEU A 45 7.774 20.270 -16.931 1.00 44.40 C ATOM 692 CG LEU A 45 8.908 19.779 -17.831 1.00 13.22 C ATOM 693 CD1 LEU A 45 10.081 20.746 -17.786 1.00 51.41 C ATOM 694 CD2 LEU A 45 9.349 18.382 -17.418 1.00 22.54 C ATOM 0 H LEU A 45 5.022 20.524 -17.883 1.00 33.13 H new ATOM 0 HA LEU A 45 6.792 18.358 -16.996 1.00 1.42 H new ATOM 0 HB2 LEU A 45 7.498 21.277 -17.245 1.00 44.40 H new ATOM 0 HB3 LEU A 45 8.153 20.346 -15.912 1.00 44.40 H new ATOM 0 HG LEU A 45 8.540 19.734 -18.856 1.00 13.22 H new ATOM 0 HD11 LEU A 45 10.879 20.380 -18.432 1.00 51.41 H new ATOM 0 HD12 LEU A 45 9.756 21.728 -18.130 1.00 51.41 H new ATOM 0 HD13 LEU A 45 10.450 20.823 -16.763 1.00 51.41 H new ATOM 0 HD21 LEU A 45 10.157 18.048 -18.069 1.00 22.54 H new ATOM 0 HD22 LEU A 45 9.699 18.401 -16.386 1.00 22.54 H new ATOM 0 HD23 LEU A 45 8.507 17.695 -17.503 1.00 22.54 H new ATOM 706 N TYR A 46 5.535 18.506 -14.884 1.00 22.40 N ATOM 707 CA TYR A 46 4.834 18.557 -13.606 1.00 33.05 C ATOM 708 C TYR A 46 5.714 18.021 -12.480 1.00 61.11 C ATOM 709 O TYR A 46 6.654 17.263 -12.717 1.00 62.05 O ATOM 710 CB TYR A 46 3.536 17.751 -13.680 1.00 53.25 C ATOM 711 CG TYR A 46 2.602 18.208 -14.777 1.00 71.14 C ATOM 712 CD1 TYR A 46 2.706 17.694 -16.064 1.00 52.13 C ATOM 713 CD2 TYR A 46 1.616 19.155 -14.528 1.00 14.34 C ATOM 714 CE1 TYR A 46 1.855 18.109 -17.071 1.00 32.12 C ATOM 715 CE2 TYR A 46 0.760 19.575 -15.528 1.00 23.21 C ATOM 716 CZ TYR A 46 0.883 19.049 -16.797 1.00 43.11 C ATOM 717 OH TYR A 46 0.033 19.466 -17.796 1.00 23.42 O ATOM 0 H TYR A 46 5.822 17.570 -15.170 1.00 22.40 H new ATOM 0 HA TYR A 46 4.596 19.599 -13.393 1.00 33.05 H new ATOM 0 HB2 TYR A 46 3.779 16.700 -13.836 1.00 53.25 H new ATOM 0 HB3 TYR A 46 3.020 17.820 -12.722 1.00 53.25 H new ATOM 0 HD1 TYR A 46 3.465 16.957 -16.281 1.00 52.13 H new ATOM 0 HD2 TYR A 46 1.517 19.570 -13.536 1.00 14.34 H new ATOM 0 HE1 TYR A 46 1.950 17.700 -18.066 1.00 32.12 H new ATOM 0 HE2 TYR A 46 -0.001 20.311 -15.317 1.00 23.21 H new ATOM 0 HH TYR A 46 -0.593 20.129 -17.437 1.00 23.42 H new ATOM 727 N LYS A 47 5.401 18.422 -11.252 1.00 50.20 N ATOM 728 CA LYS A 47 6.160 17.983 -10.088 1.00 23.03 C ATOM 729 C LYS A 47 5.227 17.517 -8.974 1.00 61.31 C ATOM 730 O LYS A 47 4.426 18.295 -8.456 1.00 33.54 O ATOM 731 CB LYS A 47 7.052 19.117 -9.578 1.00 22.31 C ATOM 732 CG LYS A 47 7.786 18.783 -8.290 1.00 14.43 C ATOM 733 CD LYS A 47 9.150 19.449 -8.235 1.00 45.45 C ATOM 734 CE LYS A 47 9.119 20.714 -7.391 1.00 42.35 C ATOM 735 NZ LYS A 47 9.227 20.414 -5.937 1.00 71.42 N ATOM 0 H LYS A 47 4.627 19.050 -11.038 1.00 50.20 H new ATOM 0 HA LYS A 47 6.786 17.143 -10.389 1.00 23.03 H new ATOM 0 HB2 LYS A 47 7.782 19.368 -10.348 1.00 22.31 H new ATOM 0 HB3 LYS A 47 6.440 20.005 -9.418 1.00 22.31 H new ATOM 0 HG2 LYS A 47 7.189 19.104 -7.437 1.00 14.43 H new ATOM 0 HG3 LYS A 47 7.904 17.703 -8.208 1.00 14.43 H new ATOM 0 HD2 LYS A 47 9.880 18.753 -7.822 1.00 45.45 H new ATOM 0 HD3 LYS A 47 9.478 19.692 -9.245 1.00 45.45 H new ATOM 0 HE2 LYS A 47 9.938 21.369 -7.688 1.00 42.35 H new ATOM 0 HE3 LYS A 47 8.192 21.255 -7.582 1.00 42.35 H new ATOM 0 HZ1 LYS A 47 9.202 21.302 -5.396 1.00 71.42 H new ATOM 0 HZ2 LYS A 47 8.432 19.810 -5.647 1.00 71.42 H new ATOM 0 HZ3 LYS A 47 10.123 19.920 -5.750 1.00 71.42 H new ATOM 749 N ALA A 48 5.337 16.243 -8.610 1.00 54.45 N ATOM 750 CA ALA A 48 4.505 15.675 -7.557 1.00 74.25 C ATOM 751 C ALA A 48 4.722 16.404 -6.235 1.00 14.41 C ATOM 752 O ALA A 48 5.814 16.371 -5.667 1.00 51.45 O ATOM 753 CB ALA A 48 4.798 14.190 -7.398 1.00 12.21 C ATOM 0 H ALA A 48 5.994 15.585 -9.029 1.00 54.45 H new ATOM 0 HA ALA A 48 3.461 15.799 -7.844 1.00 74.25 H new ATOM 0 HB1 ALA A 48 4.170 13.778 -6.608 1.00 12.21 H new ATOM 0 HB2 ALA A 48 4.587 13.675 -8.335 1.00 12.21 H new ATOM 0 HB3 ALA A 48 5.847 14.052 -7.136 1.00 12.21 H new ATOM 759 N LYS A 49 3.675 17.061 -5.750 1.00 23.45 N ATOM 760 CA LYS A 49 3.749 17.798 -4.493 1.00 3.15 C ATOM 761 C LYS A 49 4.105 16.869 -3.338 1.00 35.23 C ATOM 762 O LYS A 49 4.972 17.181 -2.521 1.00 63.44 O ATOM 763 CB LYS A 49 2.417 18.495 -4.207 1.00 53.22 C ATOM 764 CG LYS A 49 1.855 19.245 -5.403 1.00 3.44 C ATOM 765 CD LYS A 49 0.815 20.269 -4.980 1.00 11.15 C ATOM 766 CE LYS A 49 0.994 21.585 -5.721 1.00 41.34 C ATOM 767 NZ LYS A 49 0.263 22.699 -5.058 1.00 40.52 N ATOM 0 H LYS A 49 2.764 17.099 -6.208 1.00 23.45 H new ATOM 0 HA LYS A 49 4.533 18.549 -4.588 1.00 3.15 H new ATOM 0 HB2 LYS A 49 1.690 17.751 -3.880 1.00 53.22 H new ATOM 0 HB3 LYS A 49 2.552 19.193 -3.381 1.00 53.22 H new ATOM 0 HG2 LYS A 49 2.665 19.746 -5.933 1.00 3.44 H new ATOM 0 HG3 LYS A 49 1.407 18.537 -6.100 1.00 3.44 H new ATOM 0 HD2 LYS A 49 -0.183 19.875 -5.171 1.00 11.15 H new ATOM 0 HD3 LYS A 49 0.889 20.442 -3.906 1.00 11.15 H new ATOM 0 HE2 LYS A 49 2.055 21.829 -5.776 1.00 41.34 H new ATOM 0 HE3 LYS A 49 0.638 21.476 -6.745 1.00 41.34 H new ATOM 0 HZ1 LYS A 49 0.410 23.578 -5.594 1.00 40.52 H new ATOM 0 HZ2 LYS A 49 -0.753 22.478 -5.028 1.00 40.52 H new ATOM 0 HZ3 LYS A 49 0.620 22.820 -4.089 1.00 40.52 H new ATOM 781 N TYR A 50 3.434 15.724 -3.276 1.00 3.23 N ATOM 782 CA TYR A 50 3.680 14.750 -2.219 1.00 34.24 C ATOM 783 C TYR A 50 3.525 13.325 -2.745 1.00 62.30 C ATOM 784 O TYR A 50 3.132 13.115 -3.893 1.00 63.53 O ATOM 785 CB TYR A 50 2.721 14.981 -1.050 1.00 35.35 C ATOM 786 CG TYR A 50 1.304 14.535 -1.332 1.00 13.15 C ATOM 787 CD1 TYR A 50 0.556 15.130 -2.340 1.00 12.53 C ATOM 788 CD2 TYR A 50 0.713 13.520 -0.590 1.00 15.31 C ATOM 789 CE1 TYR A 50 -0.740 14.727 -2.601 1.00 13.31 C ATOM 790 CE2 TYR A 50 -0.581 13.108 -0.846 1.00 44.23 C ATOM 791 CZ TYR A 50 -1.304 13.715 -1.852 1.00 60.44 C ATOM 792 OH TYR A 50 -2.593 13.310 -2.108 1.00 41.35 O ATOM 0 H TYR A 50 2.716 15.448 -3.945 1.00 3.23 H new ATOM 0 HA TYR A 50 4.705 14.881 -1.871 1.00 34.24 H new ATOM 0 HB2 TYR A 50 3.093 14.448 -0.175 1.00 35.35 H new ATOM 0 HB3 TYR A 50 2.716 16.042 -0.799 1.00 35.35 H new ATOM 0 HD1 TYR A 50 0.995 15.921 -2.930 1.00 12.53 H new ATOM 0 HD2 TYR A 50 1.275 13.045 0.201 1.00 15.31 H new ATOM 0 HE1 TYR A 50 -1.308 15.202 -3.387 1.00 13.31 H new ATOM 0 HE2 TYR A 50 -1.024 12.315 -0.262 1.00 44.23 H new ATOM 0 HH TYR A 50 -2.837 12.588 -1.492 1.00 41.35 H new ATOM 802 N TRP A 51 3.837 12.352 -1.897 1.00 43.02 N ATOM 803 CA TRP A 51 3.733 10.947 -2.275 1.00 62.24 C ATOM 804 C TRP A 51 2.363 10.644 -2.871 1.00 30.55 C ATOM 805 O TRP A 51 1.351 10.662 -2.169 1.00 25.23 O ATOM 806 CB TRP A 51 3.985 10.052 -1.061 1.00 54.00 C ATOM 807 CG TRP A 51 4.774 8.819 -1.386 1.00 22.41 C ATOM 808 CD1 TRP A 51 6.115 8.747 -1.637 1.00 51.30 C ATOM 809 CD2 TRP A 51 4.270 7.483 -1.496 1.00 62.34 C ATOM 810 NE1 TRP A 51 6.475 7.446 -1.898 1.00 3.35 N ATOM 811 CE2 TRP A 51 5.361 6.652 -1.816 1.00 20.13 C ATOM 812 CE3 TRP A 51 3.005 6.909 -1.354 1.00 41.13 C ATOM 813 CZ2 TRP A 51 5.222 5.279 -1.997 1.00 31.15 C ATOM 814 CZ3 TRP A 51 2.868 5.545 -1.534 1.00 25.43 C ATOM 815 CH2 TRP A 51 3.971 4.742 -1.851 1.00 64.04 C ATOM 0 H TRP A 51 4.164 12.510 -0.944 1.00 43.02 H new ATOM 0 HA TRP A 51 4.490 10.742 -3.032 1.00 62.24 H new ATOM 0 HB2 TRP A 51 4.516 10.624 -0.300 1.00 54.00 H new ATOM 0 HB3 TRP A 51 3.028 9.759 -0.629 1.00 54.00 H new ATOM 0 HD1 TRP A 51 6.792 9.588 -1.631 1.00 51.30 H new ATOM 0 HE1 TRP A 51 7.418 7.124 -2.117 1.00 3.35 H new ATOM 0 HE3 TRP A 51 2.149 7.520 -1.108 1.00 41.13 H new ATOM 0 HZ2 TRP A 51 6.071 4.659 -2.244 1.00 31.15 H new ATOM 0 HZ3 TRP A 51 1.894 5.091 -1.428 1.00 25.43 H new ATOM 0 HH2 TRP A 51 3.832 3.679 -1.983 1.00 64.04 H new ATOM 826 N THR A 52 2.335 10.364 -4.170 1.00 41.12 N ATOM 827 CA THR A 52 1.089 10.058 -4.860 1.00 31.14 C ATOM 828 C THR A 52 1.349 9.295 -6.153 1.00 70.20 C ATOM 829 O THR A 52 2.416 9.420 -6.756 1.00 54.12 O ATOM 830 CB THR A 52 0.296 11.338 -5.182 1.00 62.12 C ATOM 831 OG1 THR A 52 0.232 12.179 -4.026 1.00 24.11 O ATOM 832 CG2 THR A 52 -1.113 11.000 -5.648 1.00 74.44 C ATOM 0 H THR A 52 3.163 10.343 -4.766 1.00 41.12 H new ATOM 0 HA THR A 52 0.500 9.435 -4.187 1.00 31.14 H new ATOM 0 HB THR A 52 0.811 11.864 -5.986 1.00 62.12 H new ATOM 0 HG1 THR A 52 0.253 11.626 -3.217 1.00 24.11 H new ATOM 0 HG21 THR A 52 -1.654 11.920 -5.869 1.00 74.44 H new ATOM 0 HG22 THR A 52 -1.061 10.384 -6.546 1.00 74.44 H new ATOM 0 HG23 THR A 52 -1.635 10.453 -4.863 1.00 74.44 H new ATOM 840 N THR A 53 0.368 8.504 -6.577 1.00 25.52 N ATOM 841 CA THR A 53 0.491 7.721 -7.799 1.00 51.01 C ATOM 842 C THR A 53 -0.713 7.930 -8.711 1.00 62.11 C ATOM 843 O THR A 53 -1.813 7.460 -8.419 1.00 2.10 O ATOM 844 CB THR A 53 0.633 6.218 -7.492 1.00 30.43 C ATOM 845 OG1 THR A 53 0.838 6.022 -6.088 1.00 65.25 O ATOM 846 CG2 THR A 53 1.794 5.615 -8.268 1.00 15.10 C ATOM 0 H THR A 53 -0.521 8.389 -6.091 1.00 25.52 H new ATOM 0 HA THR A 53 1.392 8.068 -8.306 1.00 51.01 H new ATOM 0 HB THR A 53 -0.286 5.719 -7.798 1.00 30.43 H new ATOM 0 HG1 THR A 53 1.463 5.280 -5.949 1.00 65.25 H new ATOM 0 HG21 THR A 53 1.875 4.553 -8.035 1.00 15.10 H new ATOM 0 HG22 THR A 53 1.621 5.740 -9.337 1.00 15.10 H new ATOM 0 HG23 THR A 53 2.719 6.119 -7.989 1.00 15.10 H new ATOM 854 N SER A 54 -0.498 8.636 -9.815 1.00 61.12 N ATOM 855 CA SER A 54 -1.567 8.910 -10.768 1.00 51.22 C ATOM 856 C SER A 54 -1.060 9.769 -11.923 1.00 61.41 C ATOM 857 O SER A 54 -0.123 10.555 -11.781 1.00 23.42 O ATOM 858 CB SER A 54 -2.734 9.612 -10.070 1.00 60.50 C ATOM 859 OG SER A 54 -3.786 8.703 -9.798 1.00 2.23 O ATOM 0 H SER A 54 0.407 9.029 -10.072 1.00 61.12 H new ATOM 0 HA SER A 54 -1.913 7.958 -11.171 1.00 51.22 H new ATOM 0 HB2 SER A 54 -2.388 10.062 -9.139 1.00 60.50 H new ATOM 0 HB3 SER A 54 -3.103 10.423 -10.698 1.00 60.50 H new ATOM 0 HG SER A 54 -3.455 7.983 -9.221 1.00 2.23 H new ATOM 865 N PRO A 55 -1.692 9.616 -13.095 1.00 12.14 N ATOM 866 CA PRO A 55 -1.324 10.369 -14.298 1.00 31.52 C ATOM 867 C PRO A 55 -1.678 11.847 -14.188 1.00 4.20 C ATOM 868 O PRO A 55 -2.592 12.239 -13.463 1.00 10.23 O ATOM 869 CB PRO A 55 -2.149 9.701 -15.401 1.00 24.04 C ATOM 870 CG PRO A 55 -3.319 9.110 -14.694 1.00 4.33 C ATOM 871 CD PRO A 55 -2.818 8.697 -13.337 1.00 75.20 C ATOM 0 HA PRO A 55 -0.249 10.348 -14.479 1.00 31.52 H new ATOM 0 HB2 PRO A 55 -2.465 10.425 -16.152 1.00 24.04 H new ATOM 0 HB3 PRO A 55 -1.571 8.935 -15.919 1.00 24.04 H new ATOM 0 HG2 PRO A 55 -4.129 9.834 -14.607 1.00 4.33 H new ATOM 0 HG3 PRO A 55 -3.714 8.254 -15.241 1.00 4.33 H new ATOM 0 HD2 PRO A 55 -3.591 8.799 -12.575 1.00 75.20 H new ATOM 0 HD3 PRO A 55 -2.496 7.656 -13.327 1.00 75.20 H new ATOM 879 N PRO A 56 -0.939 12.690 -14.924 1.00 42.33 N ATOM 880 CA PRO A 56 -1.159 14.140 -14.927 1.00 51.14 C ATOM 881 C PRO A 56 -2.463 14.527 -15.615 1.00 23.15 C ATOM 882 O PRO A 56 -2.780 14.027 -16.694 1.00 13.11 O ATOM 883 CB PRO A 56 0.040 14.678 -15.712 1.00 50.30 C ATOM 884 CG PRO A 56 0.459 13.548 -16.588 1.00 4.32 C ATOM 885 CD PRO A 56 0.166 12.293 -15.812 1.00 61.22 C ATOM 0 HA PRO A 56 -1.241 14.542 -13.917 1.00 51.14 H new ATOM 0 HB2 PRO A 56 -0.233 15.554 -16.300 1.00 50.30 H new ATOM 0 HB3 PRO A 56 0.846 14.981 -15.044 1.00 50.30 H new ATOM 0 HG2 PRO A 56 -0.088 13.561 -17.531 1.00 4.32 H new ATOM 0 HG3 PRO A 56 1.519 13.617 -16.834 1.00 4.32 H new ATOM 0 HD2 PRO A 56 -0.122 11.472 -16.469 1.00 61.22 H new ATOM 0 HD3 PRO A 56 1.036 11.958 -15.246 1.00 61.22 H new ATOM 893 N SER A 57 -3.217 15.422 -14.983 1.00 71.52 N ATOM 894 CA SER A 57 -4.489 15.874 -15.532 1.00 40.52 C ATOM 895 C SER A 57 -5.162 16.872 -14.595 1.00 31.25 C ATOM 896 O SER A 57 -5.218 18.068 -14.879 1.00 50.14 O ATOM 897 CB SER A 57 -5.416 14.682 -15.777 1.00 55.42 C ATOM 898 OG SER A 57 -5.312 13.732 -14.732 1.00 22.43 O ATOM 0 H SER A 57 -2.968 15.848 -14.090 1.00 71.52 H new ATOM 0 HA SER A 57 -4.290 16.371 -16.481 1.00 40.52 H new ATOM 0 HB2 SER A 57 -6.446 15.029 -15.856 1.00 55.42 H new ATOM 0 HB3 SER A 57 -5.164 14.211 -16.727 1.00 55.42 H new ATOM 0 HG SER A 57 -5.915 12.981 -14.912 1.00 22.43 H new ATOM 904 N ASP A 58 -5.672 16.370 -13.475 1.00 53.14 N ATOM 905 CA ASP A 58 -6.341 17.217 -12.494 1.00 14.25 C ATOM 906 C ASP A 58 -5.979 16.791 -11.074 1.00 64.01 C ATOM 907 O ASP A 58 -6.249 15.662 -10.665 1.00 75.21 O ATOM 908 CB ASP A 58 -7.857 17.156 -12.687 1.00 24.11 C ATOM 909 CG ASP A 58 -8.343 18.117 -13.753 1.00 42.41 C ATOM 910 OD1 ASP A 58 -7.730 19.195 -13.906 1.00 41.20 O ATOM 911 OD2 ASP A 58 -9.337 17.792 -14.436 1.00 55.01 O ATOM 0 H ASP A 58 -5.635 15.382 -13.224 1.00 53.14 H new ATOM 0 HA ASP A 58 -6.004 18.243 -12.644 1.00 14.25 H new ATOM 0 HB2 ASP A 58 -8.145 16.140 -12.959 1.00 24.11 H new ATOM 0 HB3 ASP A 58 -8.350 17.386 -11.743 1.00 24.11 H new ATOM 916 N ASP A 59 -5.366 17.703 -10.328 1.00 24.34 N ATOM 917 CA ASP A 59 -4.966 17.424 -8.953 1.00 41.22 C ATOM 918 C ASP A 59 -5.822 18.214 -7.968 1.00 33.24 C ATOM 919 O ASP A 59 -5.431 19.274 -7.480 1.00 11.43 O ATOM 920 CB ASP A 59 -3.489 17.762 -8.750 1.00 62.22 C ATOM 921 CG ASP A 59 -3.030 18.908 -9.631 1.00 1.43 C ATOM 922 OD1 ASP A 59 -2.655 18.649 -10.793 1.00 30.10 O ATOM 923 OD2 ASP A 59 -3.047 20.064 -9.157 1.00 50.11 O ATOM 0 H ASP A 59 -5.135 18.642 -10.652 1.00 24.34 H new ATOM 0 HA ASP A 59 -5.116 16.361 -8.766 1.00 41.22 H new ATOM 0 HB2 ASP A 59 -3.319 18.021 -7.705 1.00 62.22 H new ATOM 0 HB3 ASP A 59 -2.885 16.880 -8.963 1.00 62.22 H new ATOM 928 N PRO A 60 -7.018 17.685 -7.667 1.00 63.12 N ATOM 929 CA PRO A 60 -7.954 18.325 -6.737 1.00 50.33 C ATOM 930 C PRO A 60 -7.462 18.278 -5.294 1.00 53.33 C ATOM 931 O PRO A 60 -8.003 18.956 -4.421 1.00 43.43 O ATOM 932 CB PRO A 60 -9.231 17.495 -6.894 1.00 61.31 C ATOM 933 CG PRO A 60 -8.762 16.162 -7.362 1.00 20.44 C ATOM 934 CD PRO A 60 -7.548 16.424 -8.211 1.00 44.13 C ATOM 0 HA PRO A 60 -8.087 19.384 -6.957 1.00 50.33 H new ATOM 0 HB2 PRO A 60 -9.770 17.416 -5.950 1.00 61.31 H new ATOM 0 HB3 PRO A 60 -9.913 17.950 -7.613 1.00 61.31 H new ATOM 0 HG2 PRO A 60 -8.516 15.517 -6.519 1.00 20.44 H new ATOM 0 HG3 PRO A 60 -9.538 15.655 -7.936 1.00 20.44 H new ATOM 0 HD2 PRO A 60 -6.821 15.616 -8.133 1.00 44.13 H new ATOM 0 HD3 PRO A 60 -7.808 16.519 -9.265 1.00 44.13 H new ATOM 942 N TYR A 61 -6.432 17.475 -5.052 1.00 62.02 N ATOM 943 CA TYR A 61 -5.868 17.338 -3.715 1.00 23.21 C ATOM 944 C TYR A 61 -4.454 17.908 -3.660 1.00 30.54 C ATOM 945 O TYR A 61 -3.834 17.962 -2.597 1.00 14.51 O ATOM 946 CB TYR A 61 -5.855 15.869 -3.291 1.00 75.02 C ATOM 947 CG TYR A 61 -5.892 14.903 -4.454 1.00 41.32 C ATOM 948 CD1 TYR A 61 -4.810 14.783 -5.318 1.00 31.43 C ATOM 949 CD2 TYR A 61 -7.010 14.112 -4.691 1.00 64.42 C ATOM 950 CE1 TYR A 61 -4.840 13.903 -6.382 1.00 73.03 C ATOM 951 CE2 TYR A 61 -7.048 13.229 -5.752 1.00 30.24 C ATOM 952 CZ TYR A 61 -5.961 13.127 -6.594 1.00 51.24 C ATOM 953 OH TYR A 61 -5.996 12.249 -7.653 1.00 74.11 O ATOM 0 H TYR A 61 -5.971 16.909 -5.764 1.00 62.02 H new ATOM 0 HA TYR A 61 -6.495 17.902 -3.024 1.00 23.21 H new ATOM 0 HB2 TYR A 61 -4.960 15.678 -2.699 1.00 75.02 H new ATOM 0 HB3 TYR A 61 -6.711 15.679 -2.644 1.00 75.02 H new ATOM 0 HD1 TYR A 61 -3.931 15.388 -5.155 1.00 31.43 H new ATOM 0 HD2 TYR A 61 -7.864 14.189 -4.034 1.00 64.42 H new ATOM 0 HE1 TYR A 61 -3.991 13.823 -7.044 1.00 73.03 H new ATOM 0 HE2 TYR A 61 -7.925 12.621 -5.921 1.00 30.24 H new ATOM 0 HH TYR A 61 -6.856 11.779 -7.660 1.00 74.11 H new ATOM 963 N GLY A 62 -3.948 18.334 -4.813 1.00 20.12 N ATOM 964 CA GLY A 62 -2.611 18.895 -4.876 1.00 1.31 C ATOM 965 C GLY A 62 -1.537 17.827 -4.930 1.00 52.23 C ATOM 966 O GLY A 62 -0.571 17.869 -4.168 1.00 21.13 O ATOM 0 H GLY A 62 -4.441 18.301 -5.706 1.00 20.12 H new ATOM 0 HA2 GLY A 62 -2.529 19.533 -5.756 1.00 1.31 H new ATOM 0 HA3 GLY A 62 -2.445 19.529 -4.005 1.00 1.31 H new ATOM 970 N SER A 63 -1.704 16.867 -5.834 1.00 30.30 N ATOM 971 CA SER A 63 -0.743 15.780 -5.980 1.00 53.43 C ATOM 972 C SER A 63 0.323 16.134 -7.012 1.00 53.44 C ATOM 973 O SER A 63 1.357 15.471 -7.106 1.00 22.10 O ATOM 974 CB SER A 63 -1.458 14.491 -6.391 1.00 51.31 C ATOM 975 OG SER A 63 -1.932 14.572 -7.724 1.00 64.13 O ATOM 0 H SER A 63 -2.495 16.820 -6.476 1.00 30.30 H new ATOM 0 HA SER A 63 -0.256 15.626 -5.017 1.00 53.43 H new ATOM 0 HB2 SER A 63 -0.775 13.647 -6.295 1.00 51.31 H new ATOM 0 HB3 SER A 63 -2.293 14.304 -5.716 1.00 51.31 H new ATOM 0 HG SER A 63 -1.190 14.415 -8.345 1.00 64.13 H new ATOM 981 N TRP A 64 0.063 17.181 -7.786 1.00 60.55 N ATOM 982 CA TRP A 64 1.001 17.624 -8.813 1.00 25.22 C ATOM 983 C TRP A 64 1.124 19.144 -8.818 1.00 60.21 C ATOM 984 O TRP A 64 0.251 19.848 -8.310 1.00 71.01 O ATOM 985 CB TRP A 64 0.552 17.133 -10.189 1.00 15.42 C ATOM 986 CG TRP A 64 0.906 15.700 -10.452 1.00 54.10 C ATOM 987 CD1 TRP A 64 0.060 14.628 -10.423 1.00 1.25 C ATOM 988 CD2 TRP A 64 2.200 15.184 -10.782 1.00 34.14 C ATOM 989 NE1 TRP A 64 0.750 13.476 -10.715 1.00 70.20 N ATOM 990 CE2 TRP A 64 2.065 13.790 -10.940 1.00 0.33 C ATOM 991 CE3 TRP A 64 3.459 15.762 -10.960 1.00 54.23 C ATOM 992 CZ2 TRP A 64 3.141 12.970 -11.267 1.00 64.23 C ATOM 993 CZ3 TRP A 64 4.527 14.947 -11.285 1.00 33.13 C ATOM 994 CH2 TRP A 64 4.363 13.564 -11.436 1.00 12.12 C ATOM 0 H TRP A 64 -0.788 17.739 -7.723 1.00 60.55 H new ATOM 0 HA TRP A 64 1.978 17.199 -8.585 1.00 25.22 H new ATOM 0 HB2 TRP A 64 -0.528 17.255 -10.276 1.00 15.42 H new ATOM 0 HB3 TRP A 64 1.007 17.759 -10.957 1.00 15.42 H new ATOM 0 HD1 TRP A 64 -0.996 14.678 -10.203 1.00 1.25 H new ATOM 0 HE1 TRP A 64 0.349 12.539 -10.757 1.00 70.20 H new ATOM 0 HE3 TRP A 64 3.596 16.827 -10.846 1.00 54.23 H new ATOM 0 HZ2 TRP A 64 3.017 11.904 -11.383 1.00 64.23 H new ATOM 0 HZ3 TRP A 64 5.505 15.384 -11.425 1.00 33.13 H new ATOM 0 HH2 TRP A 64 5.217 12.954 -11.691 1.00 12.12 H new ATOM 1005 N GLU A 65 2.213 19.643 -9.395 1.00 24.30 N ATOM 1006 CA GLU A 65 2.449 21.081 -9.465 1.00 4.25 C ATOM 1007 C GLU A 65 3.138 21.456 -10.773 1.00 44.43 C ATOM 1008 O GLU A 65 4.329 21.207 -10.954 1.00 71.50 O ATOM 1009 CB GLU A 65 3.300 21.539 -8.278 1.00 10.31 C ATOM 1010 CG GLU A 65 3.294 23.044 -8.070 1.00 13.04 C ATOM 1011 CD GLU A 65 4.417 23.512 -7.164 1.00 4.21 C ATOM 1012 OE1 GLU A 65 4.447 23.090 -5.989 1.00 4.31 O ATOM 1013 OE2 GLU A 65 5.265 24.301 -7.631 1.00 15.00 O ATOM 0 H GLU A 65 2.945 19.074 -9.820 1.00 24.30 H new ATOM 0 HA GLU A 65 1.483 21.584 -9.426 1.00 4.25 H new ATOM 0 HB2 GLU A 65 2.936 21.054 -7.372 1.00 10.31 H new ATOM 0 HB3 GLU A 65 4.327 21.205 -8.428 1.00 10.31 H new ATOM 0 HG2 GLU A 65 3.381 23.541 -9.036 1.00 13.04 H new ATOM 0 HG3 GLU A 65 2.338 23.344 -7.642 1.00 13.04 H new ATOM 1020 N TYR A 66 2.379 22.057 -11.683 1.00 14.30 N ATOM 1021 CA TYR A 66 2.914 22.463 -12.977 1.00 24.30 C ATOM 1022 C TYR A 66 3.981 23.541 -12.810 1.00 44.44 C ATOM 1023 O TYR A 66 3.685 24.668 -12.408 1.00 61.01 O ATOM 1024 CB TYR A 66 1.790 22.977 -13.878 1.00 40.35 C ATOM 1025 CG TYR A 66 2.284 23.759 -15.075 1.00 4.53 C ATOM 1026 CD1 TYR A 66 2.482 25.132 -15.000 1.00 14.40 C ATOM 1027 CD2 TYR A 66 2.553 23.123 -16.281 1.00 40.35 C ATOM 1028 CE1 TYR A 66 2.932 25.850 -16.091 1.00 13.12 C ATOM 1029 CE2 TYR A 66 3.004 23.833 -17.377 1.00 12.43 C ATOM 1030 CZ TYR A 66 3.191 25.195 -17.277 1.00 42.14 C ATOM 1031 OH TYR A 66 3.641 25.907 -18.367 1.00 1.22 O ATOM 0 H TYR A 66 1.391 22.274 -11.548 1.00 14.30 H new ATOM 0 HA TYR A 66 3.373 21.591 -13.443 1.00 24.30 H new ATOM 0 HB2 TYR A 66 1.199 22.130 -14.226 1.00 40.35 H new ATOM 0 HB3 TYR A 66 1.125 23.610 -13.290 1.00 40.35 H new ATOM 0 HD1 TYR A 66 2.281 25.647 -14.072 1.00 14.40 H new ATOM 0 HD2 TYR A 66 2.407 22.056 -16.363 1.00 40.35 H new ATOM 0 HE1 TYR A 66 3.080 26.917 -16.016 1.00 13.12 H new ATOM 0 HE2 TYR A 66 3.209 23.324 -18.307 1.00 12.43 H new ATOM 0 HH TYR A 66 3.441 25.410 -19.188 1.00 1.22 H new ATOM 1041 N LEU A 67 5.222 23.189 -13.122 1.00 73.04 N ATOM 1042 CA LEU A 67 6.335 24.125 -13.009 1.00 35.55 C ATOM 1043 C LEU A 67 6.675 24.735 -14.364 1.00 51.52 C ATOM 1044 O LEU A 67 7.100 25.886 -14.450 1.00 74.11 O ATOM 1045 CB LEU A 67 7.565 23.419 -12.432 1.00 43.32 C ATOM 1046 CG LEU A 67 7.312 22.501 -11.235 1.00 44.14 C ATOM 1047 CD1 LEU A 67 8.583 21.761 -10.852 1.00 62.23 C ATOM 1048 CD2 LEU A 67 6.780 23.301 -10.054 1.00 71.51 C ATOM 0 H LEU A 67 5.484 22.261 -13.456 1.00 73.04 H new ATOM 0 HA LEU A 67 6.034 24.928 -12.336 1.00 35.55 H new ATOM 0 HB2 LEU A 67 8.026 22.830 -13.225 1.00 43.32 H new ATOM 0 HB3 LEU A 67 8.289 24.178 -12.136 1.00 43.32 H new ATOM 0 HG LEU A 67 6.560 21.764 -11.518 1.00 44.14 H new ATOM 0 HD11 LEU A 67 8.384 21.113 -9.999 1.00 62.23 H new ATOM 0 HD12 LEU A 67 8.921 21.158 -11.695 1.00 62.23 H new ATOM 0 HD13 LEU A 67 9.358 22.481 -10.588 1.00 62.23 H new ATOM 0 HD21 LEU A 67 6.605 22.633 -9.211 1.00 71.51 H new ATOM 0 HD22 LEU A 67 7.509 24.060 -9.770 1.00 71.51 H new ATOM 0 HD23 LEU A 67 5.844 23.784 -10.334 1.00 71.51 H new ATOM 1060 N GLY A 68 6.481 23.955 -15.424 1.00 34.43 N ATOM 1061 CA GLY A 68 6.771 24.436 -16.762 1.00 2.24 C ATOM 1062 C GLY A 68 6.401 23.429 -17.833 1.00 2.12 C ATOM 1063 O GLY A 68 5.584 22.538 -17.600 1.00 43.34 O ATOM 0 H GLY A 68 6.128 22.999 -15.379 1.00 34.43 H new ATOM 0 HA2 GLY A 68 6.227 25.364 -16.937 1.00 2.24 H new ATOM 0 HA3 GLY A 68 7.833 24.670 -16.839 1.00 2.24 H new ATOM 1067 N GLU A 69 7.002 23.571 -19.010 1.00 75.12 N ATOM 1068 CA GLU A 69 6.729 22.667 -20.120 1.00 54.51 C ATOM 1069 C GLU A 69 8.025 22.113 -20.704 1.00 60.22 C ATOM 1070 O GLU A 69 9.098 22.684 -20.511 1.00 34.43 O ATOM 1071 CB GLU A 69 5.934 23.389 -21.210 1.00 13.43 C ATOM 1072 CG GLU A 69 4.484 22.942 -21.303 1.00 40.32 C ATOM 1073 CD GLU A 69 3.622 23.917 -22.080 1.00 3.52 C ATOM 1074 OE1 GLU A 69 3.275 24.979 -21.522 1.00 1.53 O ATOM 1075 OE2 GLU A 69 3.293 23.617 -23.248 1.00 62.50 O ATOM 0 H GLU A 69 7.681 24.303 -19.219 1.00 75.12 H new ATOM 0 HA GLU A 69 6.138 21.834 -19.739 1.00 54.51 H new ATOM 0 HB2 GLU A 69 5.963 24.462 -21.019 1.00 13.43 H new ATOM 0 HB3 GLU A 69 6.419 23.223 -22.172 1.00 13.43 H new ATOM 0 HG2 GLU A 69 4.439 21.963 -21.780 1.00 40.32 H new ATOM 0 HG3 GLU A 69 4.078 22.825 -20.298 1.00 40.32 H new ATOM 1082 N ALA A 70 7.918 20.998 -21.419 1.00 65.24 N ATOM 1083 CA ALA A 70 9.080 20.369 -22.032 1.00 33.14 C ATOM 1084 C ALA A 70 9.629 21.220 -23.173 1.00 11.44 C ATOM 1085 O ALA A 70 10.825 21.194 -23.459 1.00 21.43 O ATOM 1086 CB ALA A 70 8.724 18.977 -22.533 1.00 51.44 C ATOM 0 H ALA A 70 7.037 20.512 -21.588 1.00 65.24 H new ATOM 0 HA ALA A 70 9.857 20.282 -21.273 1.00 33.14 H new ATOM 0 HB1 ALA A 70 9.602 18.519 -22.989 1.00 51.44 H new ATOM 0 HB2 ALA A 70 8.388 18.364 -21.697 1.00 51.44 H new ATOM 0 HB3 ALA A 70 7.927 19.049 -23.273 1.00 51.44 H new ATOM 1092 N GLU A 71 8.745 21.971 -23.821 1.00 41.33 N ATOM 1093 CA GLU A 71 9.142 22.829 -24.932 1.00 23.21 C ATOM 1094 C GLU A 71 8.884 24.297 -24.605 1.00 74.53 C ATOM 1095 O GLU A 71 7.747 24.769 -24.602 1.00 53.12 O ATOM 1096 CB GLU A 71 8.385 22.438 -26.203 1.00 0.21 C ATOM 1097 CG GLU A 71 8.931 21.191 -26.877 1.00 31.03 C ATOM 1098 CD GLU A 71 8.722 21.200 -28.379 1.00 2.11 C ATOM 1099 OE1 GLU A 71 9.551 21.804 -29.090 1.00 42.04 O ATOM 1100 OE2 GLU A 71 7.728 20.604 -28.843 1.00 32.15 O ATOM 0 H GLU A 71 7.750 22.003 -23.597 1.00 41.33 H new ATOM 0 HA GLU A 71 10.211 22.694 -25.098 1.00 23.21 H new ATOM 0 HB2 GLU A 71 7.336 22.277 -25.956 1.00 0.21 H new ATOM 0 HB3 GLU A 71 8.423 23.268 -26.908 1.00 0.21 H new ATOM 0 HG2 GLU A 71 9.996 21.104 -26.663 1.00 31.03 H new ATOM 0 HG3 GLU A 71 8.447 20.312 -26.452 1.00 31.03 H new ATOM 1107 N PRO A 72 9.966 25.039 -24.323 1.00 33.55 N ATOM 1108 CA PRO A 72 9.885 26.463 -23.988 1.00 4.51 C ATOM 1109 C PRO A 72 9.491 27.318 -25.188 1.00 75.14 C ATOM 1110 O PRO A 72 10.020 27.146 -26.287 1.00 41.14 O ATOM 1111 CB PRO A 72 11.305 26.803 -23.532 1.00 31.14 C ATOM 1112 CG PRO A 72 12.171 25.800 -24.212 1.00 50.22 C ATOM 1113 CD PRO A 72 11.352 24.542 -24.307 1.00 72.12 C ATOM 0 HA PRO A 72 9.123 26.662 -23.234 1.00 4.51 H new ATOM 0 HB2 PRO A 72 11.579 27.819 -23.815 1.00 31.14 H new ATOM 0 HB3 PRO A 72 11.399 26.737 -22.448 1.00 31.14 H new ATOM 0 HG2 PRO A 72 12.468 26.148 -25.201 1.00 50.22 H new ATOM 0 HG3 PRO A 72 13.087 25.628 -23.646 1.00 50.22 H new ATOM 0 HD2 PRO A 72 11.587 23.977 -25.209 1.00 72.12 H new ATOM 0 HD3 PRO A 72 11.532 23.880 -23.460 1.00 72.12 H new ATOM 1121 N THR A 73 8.559 28.242 -24.972 1.00 73.20 N ATOM 1122 CA THR A 73 8.095 29.123 -26.035 1.00 50.24 C ATOM 1123 C THR A 73 7.828 30.528 -25.508 1.00 42.33 C ATOM 1124 O THR A 73 7.777 30.749 -24.298 1.00 71.31 O ATOM 1125 CB THR A 73 6.813 28.582 -26.694 1.00 10.23 C ATOM 1126 OG1 THR A 73 6.265 29.564 -27.581 1.00 13.02 O ATOM 1127 CG2 THR A 73 5.780 28.209 -25.642 1.00 33.04 C ATOM 0 H THR A 73 8.111 28.399 -24.069 1.00 73.20 H new ATOM 0 HA THR A 73 8.889 29.163 -26.781 1.00 50.24 H new ATOM 0 HB THR A 73 7.072 27.687 -27.260 1.00 10.23 H new ATOM 0 HG1 THR A 73 5.451 29.211 -27.997 1.00 13.02 H new ATOM 0 HG21 THR A 73 4.883 27.829 -26.131 1.00 33.04 H new ATOM 0 HG22 THR A 73 6.189 27.440 -24.987 1.00 33.04 H new ATOM 0 HG23 THR A 73 5.526 29.090 -25.053 1.00 33.04 H new TER 1135 THR A 73