USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 667 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 THR OG1 : rot 180:sc= -0.0997 USER MOD Set 1.2: A 85 TYR OH : rot 136:sc= -0.0653 USER MOD Set 1.3: A 103 SER OG : rot -25:sc= 1.07 USER MOD Set 2.1: A 95 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 98 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Set 3.1: A 91 HIS : no HD1:sc= -1.5 K(o=-1.5,f=-3.9!) USER MOD Set 3.2: A 97 ASN : amide:sc= -0.023 K(o=-1.5,f=-2.7) USER MOD Set 4.1: A 90 THR OG1 : rot 137:sc= 1.2 USER MOD Set 4.2: A 92 THR OG1 : rot 58:sc= 0.104 USER MOD Set 5.1: A 36 SER OG : rot 180:sc= 0.0732 USER MOD Set 5.2: A 37 THR OG1 : rot 99:sc= 1.91 USER MOD Set 6.1: A 35 SER OG : rot 82:sc= 0.592 USER MOD Set 6.2: A 67 TYR OH : rot 180:sc= 0.535 USER MOD Set 7.1: A 27 TYR OH : rot 180:sc= 0 USER MOD Set 7.2: A 81 THR OG1 : rot 94:sc= 1.3 USER MOD Set 8.1: A 12 SER OG : rot 180:sc= 0 USER MOD Set 8.2: A 15 GLN :FLIP amide:sc= 0 F(o=-0.58,f=0) USER MOD Set 9.1: A 8 SER OG : rot 180:sc= 0 USER MOD Set 9.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Set10.1: A 5 THR OG1 : rot -86:sc= 0.402 USER MOD Set10.2: A 10 ASN : amide:sc= 0.376 X(o=0.78,f=0.86) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 15:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.0397 X(o=-0.04,f=-0.52) USER MOD Single : A 25 GLN : amide:sc=0.000907 X(o=0.00091,f=0.11) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0619 X(o=-0.062,f=-0.11) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0.49) USER MOD Single : A 32 THR OG1 : rot 82:sc= 1.96 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -0.281 X(o=-0.28,f=-0.019) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 179:sc= 0.0108 USER MOD Single : A 43 ASN : amide:sc= 0.198 K(o=0.2,f=-5.8!) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= -1.49 K(o=-1.5,f=-3.6!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot -21:sc= 0.188 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0.0433 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -3.65 K(o=-3.7,f=-4.8!) USER MOD Single : A 82 ASN : amide:sc=-0.00817 X(o=-0.0082,f=0) USER MOD Single : A 105 THR OG1 : rot 105:sc= 0.79 USER MOD Single : A 106 ASN : amide:sc= 0.456 X(o=0.46,f=0) USER MOD ----------------------------------------------------------------- ATOM 15 N SER A 2 6.691 11.574 -5.738 1.00 0.00 N ATOM 16 CA SER A 2 8.051 11.149 -5.442 1.00 0.00 C ATOM 17 C SER A 2 8.951 12.384 -5.410 1.00 0.00 C ATOM 18 O SER A 2 9.757 12.604 -6.313 1.00 0.00 O ATOM 19 CB SER A 2 8.506 10.126 -6.486 1.00 0.00 C ATOM 20 OG SER A 2 9.802 9.653 -6.190 1.00 0.00 O ATOM 0 HA SER A 2 8.106 10.663 -4.468 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.806 9.291 -6.513 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.497 10.581 -7.476 1.00 0.00 H new ATOM 0 HG SER A 2 10.074 8.999 -6.867 1.00 0.00 H new ATOM 26 N ALA A 3 8.782 13.184 -4.351 1.00 0.00 N ATOM 27 CA ALA A 3 9.516 14.414 -4.068 1.00 0.00 C ATOM 28 C ALA A 3 9.225 15.479 -5.128 1.00 0.00 C ATOM 29 O ALA A 3 9.832 15.486 -6.197 1.00 0.00 O ATOM 30 CB ALA A 3 11.014 14.133 -3.900 1.00 0.00 C ATOM 0 H ALA A 3 8.090 12.975 -3.631 1.00 0.00 H new ATOM 0 HA ALA A 3 9.168 14.818 -3.117 1.00 0.00 H new ATOM 0 HB1 ALA A 3 11.538 15.066 -3.690 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.163 13.439 -3.073 1.00 0.00 H new ATOM 0 HB3 ALA A 3 11.407 13.695 -4.817 1.00 0.00 H new ATOM 36 N THR A 4 8.294 16.386 -4.813 1.00 0.00 N ATOM 37 CA THR A 4 7.829 17.468 -5.653 1.00 0.00 C ATOM 38 C THR A 4 8.544 18.738 -5.203 1.00 0.00 C ATOM 39 O THR A 4 8.438 19.119 -4.040 1.00 0.00 O ATOM 40 CB THR A 4 6.313 17.510 -5.427 1.00 0.00 C ATOM 41 OG1 THR A 4 5.719 16.394 -6.065 1.00 0.00 O ATOM 42 CG2 THR A 4 5.578 18.782 -5.829 1.00 0.00 C ATOM 0 H THR A 4 7.824 16.374 -3.908 1.00 0.00 H new ATOM 0 HA THR A 4 8.035 17.352 -6.717 1.00 0.00 H new ATOM 0 HB THR A 4 6.204 17.485 -4.343 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.750 16.414 -5.923 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.515 18.672 -5.613 1.00 0.00 H new ATOM 0 HG22 THR A 4 5.977 19.626 -5.266 1.00 0.00 H new ATOM 0 HG23 THR A 4 5.715 18.960 -6.896 1.00 0.00 H new ATOM 50 N THR A 5 9.277 19.393 -6.110 1.00 0.00 N ATOM 51 CA THR A 5 10.017 20.599 -5.848 1.00 0.00 C ATOM 52 C THR A 5 9.482 21.628 -6.839 1.00 0.00 C ATOM 53 O THR A 5 9.691 21.503 -8.044 1.00 0.00 O ATOM 54 CB THR A 5 11.506 20.249 -5.992 1.00 0.00 C ATOM 55 OG1 THR A 5 12.010 19.832 -4.740 1.00 0.00 O ATOM 56 CG2 THR A 5 12.333 21.404 -6.531 1.00 0.00 C ATOM 0 H THR A 5 9.364 19.074 -7.075 1.00 0.00 H new ATOM 0 HA THR A 5 9.905 21.021 -4.849 1.00 0.00 H new ATOM 0 HB THR A 5 11.585 19.442 -6.720 1.00 0.00 H new ATOM 0 HG1 THR A 5 12.290 20.616 -4.223 1.00 0.00 H new ATOM 0 HG21 THR A 5 13.376 21.098 -6.611 1.00 0.00 H new ATOM 0 HG22 THR A 5 11.962 21.689 -7.515 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.255 22.254 -5.854 1.00 0.00 H new ATOM 64 N CYS A 6 8.775 22.638 -6.318 1.00 0.00 N ATOM 65 CA CYS A 6 8.202 23.710 -7.115 1.00 0.00 C ATOM 66 C CYS A 6 9.109 24.926 -7.016 1.00 0.00 C ATOM 67 O CYS A 6 8.858 25.847 -6.238 1.00 0.00 O ATOM 68 CB CYS A 6 6.762 23.997 -6.682 1.00 0.00 C ATOM 69 SG CYS A 6 5.543 22.656 -6.872 1.00 0.00 S ATOM 0 H CYS A 6 8.587 22.728 -5.319 1.00 0.00 H new ATOM 0 HA CYS A 6 8.143 23.418 -8.163 1.00 0.00 H new ATOM 0 HB2 CYS A 6 6.779 24.290 -5.632 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.406 24.858 -7.248 1.00 0.00 H new ATOM 74 N GLY A 7 10.167 24.903 -7.837 1.00 0.00 N ATOM 75 CA GLY A 7 11.170 25.942 -7.906 1.00 0.00 C ATOM 76 C GLY A 7 12.046 25.870 -6.663 1.00 0.00 C ATOM 77 O GLY A 7 12.998 25.093 -6.618 1.00 0.00 O ATOM 0 H GLY A 7 10.342 24.134 -8.484 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.778 25.819 -8.802 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.694 26.920 -7.975 1.00 0.00 H new ATOM 81 N SER A 8 11.700 26.683 -5.659 1.00 0.00 N ATOM 82 CA SER A 8 12.384 26.770 -4.381 1.00 0.00 C ATOM 83 C SER A 8 11.585 26.065 -3.283 1.00 0.00 C ATOM 84 O SER A 8 12.183 25.449 -2.402 1.00 0.00 O ATOM 85 CB SER A 8 12.611 28.244 -4.030 1.00 0.00 C ATOM 86 OG SER A 8 11.381 28.933 -3.956 1.00 0.00 O ATOM 0 H SER A 8 10.905 27.319 -5.725 1.00 0.00 H new ATOM 0 HA SER A 8 13.348 26.267 -4.457 1.00 0.00 H new ATOM 0 HB2 SER A 8 13.134 28.320 -3.077 1.00 0.00 H new ATOM 0 HB3 SER A 8 13.249 28.708 -4.782 1.00 0.00 H new ATOM 0 HG SER A 8 11.545 29.872 -3.729 1.00 0.00 H new ATOM 92 N THR A 9 10.246 26.147 -3.332 1.00 0.00 N ATOM 93 CA THR A 9 9.375 25.541 -2.335 1.00 0.00 C ATOM 94 C THR A 9 9.337 24.023 -2.523 1.00 0.00 C ATOM 95 O THR A 9 8.676 23.518 -3.429 1.00 0.00 O ATOM 96 CB THR A 9 7.972 26.169 -2.387 1.00 0.00 C ATOM 97 OG1 THR A 9 8.061 27.569 -2.554 1.00 0.00 O ATOM 98 CG2 THR A 9 7.226 25.879 -1.081 1.00 0.00 C ATOM 0 H THR A 9 9.743 26.639 -4.071 1.00 0.00 H new ATOM 0 HA THR A 9 9.775 25.739 -1.341 1.00 0.00 H new ATOM 0 HB THR A 9 7.435 25.737 -3.231 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.160 27.952 -2.587 1.00 0.00 H new ATOM 0 HG21 THR A 9 6.233 26.326 -1.122 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.134 24.801 -0.946 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.780 26.303 -0.244 1.00 0.00 H new ATOM 106 N ASN A 10 10.052 23.308 -1.647 1.00 0.00 N ATOM 107 CA ASN A 10 10.160 21.857 -1.663 1.00 0.00 C ATOM 108 C ASN A 10 8.962 21.220 -0.958 1.00 0.00 C ATOM 109 O ASN A 10 8.359 21.839 -0.080 1.00 0.00 O ATOM 110 CB ASN A 10 11.477 21.438 -1.000 1.00 0.00 C ATOM 111 CG ASN A 10 12.679 22.142 -1.634 1.00 0.00 C ATOM 112 OD1 ASN A 10 12.992 21.916 -2.800 1.00 0.00 O ATOM 113 ND2 ASN A 10 13.348 23.007 -0.865 1.00 0.00 N ATOM 0 H ASN A 10 10.583 23.740 -0.891 1.00 0.00 H new ATOM 0 HA ASN A 10 10.158 21.506 -2.695 1.00 0.00 H new ATOM 0 HB2 ASN A 10 11.439 21.671 0.064 1.00 0.00 H new ATOM 0 HB3 ASN A 10 11.600 20.358 -1.086 1.00 0.00 H new ATOM 0 HD21 ASN A 10 14.152 23.509 -1.242 1.00 0.00 H new ATOM 0 HD22 ASN A 10 13.054 23.165 0.099 1.00 0.00 H new ATOM 120 N TYR A 11 8.620 19.986 -1.352 1.00 0.00 N ATOM 121 CA TYR A 11 7.506 19.233 -0.793 1.00 0.00 C ATOM 122 C TYR A 11 7.791 17.733 -0.802 1.00 0.00 C ATOM 123 O TYR A 11 8.305 17.187 -1.779 1.00 0.00 O ATOM 124 CB TYR A 11 6.223 19.466 -1.600 1.00 0.00 C ATOM 125 CG TYR A 11 5.744 20.897 -1.704 1.00 0.00 C ATOM 126 CD1 TYR A 11 5.185 21.524 -0.579 1.00 0.00 C ATOM 127 CD2 TYR A 11 5.849 21.603 -2.918 1.00 0.00 C ATOM 128 CE1 TYR A 11 4.725 22.845 -0.671 1.00 0.00 C ATOM 129 CE2 TYR A 11 5.381 22.924 -3.009 1.00 0.00 C ATOM 130 CZ TYR A 11 4.808 23.543 -1.887 1.00 0.00 C ATOM 131 OH TYR A 11 4.342 24.821 -1.974 1.00 0.00 O ATOM 0 H TYR A 11 9.123 19.481 -2.081 1.00 0.00 H new ATOM 0 HA TYR A 11 7.377 19.583 0.231 1.00 0.00 H new ATOM 0 HB2 TYR A 11 6.380 19.084 -2.609 1.00 0.00 H new ATOM 0 HB3 TYR A 11 5.426 18.871 -1.154 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.109 20.989 0.356 1.00 0.00 H new ATOM 0 HD2 TYR A 11 6.291 21.127 -3.781 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.304 23.329 0.198 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.462 23.463 -3.941 1.00 0.00 H new ATOM 0 HH TYR A 11 4.207 25.182 -1.073 1.00 0.00 H new ATOM 141 N SER A 12 7.429 17.082 0.306 1.00 0.00 N ATOM 142 CA SER A 12 7.562 15.654 0.525 1.00 0.00 C ATOM 143 C SER A 12 6.435 14.967 -0.214 1.00 0.00 C ATOM 144 O SER A 12 5.365 15.550 -0.389 1.00 0.00 O ATOM 145 CB SER A 12 7.461 15.362 2.026 1.00 0.00 C ATOM 146 OG SER A 12 8.472 16.050 2.729 1.00 0.00 O ATOM 0 H SER A 12 7.018 17.564 1.105 1.00 0.00 H new ATOM 0 HA SER A 12 8.524 15.292 0.163 1.00 0.00 H new ATOM 0 HB2 SER A 12 6.481 15.664 2.397 1.00 0.00 H new ATOM 0 HB3 SER A 12 7.552 14.290 2.202 1.00 0.00 H new ATOM 0 HG SER A 12 8.395 15.856 3.686 1.00 0.00 H new ATOM 152 N ALA A 13 6.676 13.726 -0.661 1.00 0.00 N ATOM 153 CA ALA A 13 5.648 12.946 -1.329 1.00 0.00 C ATOM 154 C ALA A 13 4.459 12.786 -0.373 1.00 0.00 C ATOM 155 O ALA A 13 3.358 12.465 -0.811 1.00 0.00 O ATOM 156 CB ALA A 13 6.207 11.577 -1.728 1.00 0.00 C ATOM 0 H ALA A 13 7.574 13.250 -0.568 1.00 0.00 H new ATOM 0 HA ALA A 13 5.320 13.455 -2.236 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.430 10.999 -2.228 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.051 11.712 -2.404 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.538 11.045 -0.836 1.00 0.00 H new ATOM 162 N SER A 14 4.694 13.028 0.930 1.00 0.00 N ATOM 163 CA SER A 14 3.689 12.949 1.976 1.00 0.00 C ATOM 164 C SER A 14 2.764 14.165 1.889 1.00 0.00 C ATOM 165 O SER A 14 1.550 14.008 1.976 1.00 0.00 O ATOM 166 CB SER A 14 4.385 12.886 3.340 1.00 0.00 C ATOM 167 OG SER A 14 3.427 12.846 4.376 1.00 0.00 O ATOM 0 H SER A 14 5.615 13.290 1.281 1.00 0.00 H new ATOM 0 HA SER A 14 3.086 12.050 1.850 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.023 12.003 3.390 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.032 13.754 3.467 1.00 0.00 H new ATOM 0 HG SER A 14 3.883 12.804 5.242 1.00 0.00 H new ATOM 173 N GLN A 15 3.329 15.369 1.714 1.00 0.00 N ATOM 174 CA GLN A 15 2.579 16.617 1.615 1.00 0.00 C ATOM 175 C GLN A 15 1.774 16.668 0.318 1.00 0.00 C ATOM 176 O GLN A 15 0.612 17.066 0.322 1.00 0.00 O ATOM 177 CB GLN A 15 3.533 17.814 1.725 1.00 0.00 C ATOM 178 CG GLN A 15 4.137 17.903 3.132 1.00 0.00 C ATOM 179 CD GLN A 15 5.060 19.111 3.269 1.00 0.00 C ATOM 180 OE1 GLN A 15 6.356 18.915 3.011 1.00 0.00 O flip ATOM 181 NE2 GLN A 15 4.610 20.205 3.609 1.00 0.00 N flip ATOM 0 H GLN A 15 4.338 15.498 1.637 1.00 0.00 H new ATOM 0 HA GLN A 15 1.870 16.666 2.442 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.330 17.718 0.988 1.00 0.00 H new ATOM 0 HB3 GLN A 15 2.996 18.735 1.496 1.00 0.00 H new ATOM 0 HG2 GLN A 15 3.337 17.970 3.869 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.694 16.992 3.348 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.613 20.310 3.796 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.234 21.006 3.703 1.00 0.00 H new ATOM 190 N VAL A 16 2.409 16.261 -0.784 1.00 0.00 N ATOM 191 CA VAL A 16 1.865 16.191 -2.134 1.00 0.00 C ATOM 192 C VAL A 16 0.619 15.311 -2.126 1.00 0.00 C ATOM 193 O VAL A 16 -0.456 15.727 -2.556 1.00 0.00 O ATOM 194 CB VAL A 16 2.923 15.532 -3.033 1.00 0.00 C ATOM 195 CG1 VAL A 16 2.407 15.212 -4.441 1.00 0.00 C ATOM 196 CG2 VAL A 16 4.147 16.432 -3.152 1.00 0.00 C ATOM 0 H VAL A 16 3.381 15.952 -0.750 1.00 0.00 H new ATOM 0 HA VAL A 16 1.610 17.187 -2.495 1.00 0.00 H new ATOM 0 HB VAL A 16 3.181 14.588 -2.554 1.00 0.00 H new ATOM 0 HG11 VAL A 16 3.203 14.749 -5.024 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.562 14.527 -4.372 1.00 0.00 H new ATOM 0 HG13 VAL A 16 2.088 16.133 -4.930 1.00 0.00 H new ATOM 0 HG21 VAL A 16 4.889 15.954 -3.791 1.00 0.00 H new ATOM 0 HG22 VAL A 16 3.855 17.388 -3.587 1.00 0.00 H new ATOM 0 HG23 VAL A 16 4.574 16.599 -2.163 1.00 0.00 H new ATOM 206 N ARG A 17 0.801 14.089 -1.612 1.00 0.00 N ATOM 207 CA ARG A 17 -0.226 13.069 -1.536 1.00 0.00 C ATOM 208 C ARG A 17 -1.334 13.442 -0.552 1.00 0.00 C ATOM 209 O ARG A 17 -2.501 13.254 -0.875 1.00 0.00 O ATOM 210 CB ARG A 17 0.431 11.717 -1.234 1.00 0.00 C ATOM 211 CG ARG A 17 -0.578 10.564 -1.247 1.00 0.00 C ATOM 212 CD ARG A 17 -0.769 9.990 0.163 1.00 0.00 C ATOM 213 NE ARG A 17 0.246 8.974 0.466 1.00 0.00 N ATOM 214 CZ ARG A 17 0.213 7.705 0.023 1.00 0.00 C ATOM 215 NH1 ARG A 17 -0.781 7.269 -0.768 1.00 0.00 N ATOM 216 NH2 ARG A 17 1.194 6.862 0.369 1.00 0.00 N ATOM 0 H ARG A 17 1.696 13.784 -1.229 1.00 0.00 H new ATOM 0 HA ARG A 17 -0.729 12.988 -2.499 1.00 0.00 H new ATOM 0 HB2 ARG A 17 1.211 11.522 -1.970 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.916 11.761 -0.259 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.534 10.916 -1.634 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -0.232 9.780 -1.920 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.712 10.794 0.896 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -1.763 9.551 0.248 1.00 0.00 H new ATOM 0 HE ARG A 17 1.032 9.250 1.054 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.530 7.905 -1.044 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -0.787 6.302 -1.093 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.957 7.184 0.964 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.178 5.897 0.038 1.00 0.00 H new ATOM 230 N ALA A 18 -0.993 13.974 0.629 1.00 0.00 N ATOM 231 CA ALA A 18 -1.980 14.377 1.630 1.00 0.00 C ATOM 232 C ALA A 18 -2.888 15.461 1.050 1.00 0.00 C ATOM 233 O ALA A 18 -4.116 15.363 1.123 1.00 0.00 O ATOM 234 CB ALA A 18 -1.279 14.869 2.900 1.00 0.00 C ATOM 0 H ALA A 18 -0.027 14.135 0.914 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.594 13.517 1.898 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -2.026 15.166 3.636 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.664 14.068 3.310 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.648 15.724 2.659 1.00 0.00 H new ATOM 240 N ALA A 19 -2.262 16.488 0.460 1.00 0.00 N ATOM 241 CA ALA A 19 -2.939 17.604 -0.172 1.00 0.00 C ATOM 242 C ALA A 19 -3.851 17.110 -1.294 1.00 0.00 C ATOM 243 O ALA A 19 -4.890 17.720 -1.537 1.00 0.00 O ATOM 244 CB ALA A 19 -1.908 18.601 -0.712 1.00 0.00 C ATOM 0 H ALA A 19 -1.245 16.558 0.413 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.558 18.108 0.570 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.423 19.437 -1.185 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.295 18.971 0.110 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.271 18.105 -1.445 1.00 0.00 H new ATOM 250 N ALA A 20 -3.469 16.010 -1.964 1.00 0.00 N ATOM 251 CA ALA A 20 -4.233 15.419 -3.051 1.00 0.00 C ATOM 252 C ALA A 20 -5.389 14.552 -2.578 1.00 0.00 C ATOM 253 O ALA A 20 -6.448 14.572 -3.203 1.00 0.00 O ATOM 254 CB ALA A 20 -3.307 14.687 -4.022 1.00 0.00 C ATOM 0 H ALA A 20 -2.607 15.507 -1.755 1.00 0.00 H new ATOM 0 HA ALA A 20 -4.706 16.239 -3.591 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.897 14.251 -4.829 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.587 15.391 -4.439 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.776 13.896 -3.492 1.00 0.00 H new ATOM 260 N ASN A 21 -5.212 13.784 -1.498 1.00 0.00 N ATOM 261 CA ASN A 21 -6.303 12.979 -0.972 1.00 0.00 C ATOM 262 C ASN A 21 -7.369 13.943 -0.437 1.00 0.00 C ATOM 263 O ASN A 21 -8.539 13.575 -0.335 1.00 0.00 O ATOM 264 CB ASN A 21 -5.814 12.030 0.124 1.00 0.00 C ATOM 265 CG ASN A 21 -5.053 10.847 -0.466 1.00 0.00 C ATOM 266 OD1 ASN A 21 -3.830 10.801 -0.401 1.00 0.00 O ATOM 267 ND2 ASN A 21 -5.778 9.879 -1.036 1.00 0.00 N ATOM 0 H ASN A 21 -4.335 13.707 -0.982 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.722 12.351 -1.758 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.169 12.572 0.816 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.665 11.667 0.700 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.315 9.064 -1.437 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -6.795 9.956 -1.069 1.00 0.00 H new ATOM 274 N ALA A 22 -6.965 15.185 -0.118 1.00 0.00 N ATOM 275 CA ALA A 22 -7.875 16.182 0.414 1.00 0.00 C ATOM 276 C ALA A 22 -8.635 16.716 -0.793 1.00 0.00 C ATOM 277 O ALA A 22 -9.863 16.691 -0.819 1.00 0.00 O ATOM 278 CB ALA A 22 -7.098 17.263 1.166 1.00 0.00 C ATOM 0 H ALA A 22 -6.005 15.512 -0.225 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.573 15.776 1.146 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -7.794 18.004 1.559 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.547 16.809 1.990 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -6.398 17.748 0.486 1.00 0.00 H new ATOM 284 N ALA A 23 -7.869 17.185 -1.786 1.00 0.00 N ATOM 285 CA ALA A 23 -8.356 17.703 -3.052 1.00 0.00 C ATOM 286 C ALA A 23 -9.411 16.797 -3.688 1.00 0.00 C ATOM 287 O ALA A 23 -10.416 17.298 -4.185 1.00 0.00 O ATOM 288 CB ALA A 23 -7.190 17.832 -4.033 1.00 0.00 C ATOM 0 H ALA A 23 -6.852 17.211 -1.717 1.00 0.00 H new ATOM 0 HA ALA A 23 -8.813 18.671 -2.844 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.555 18.221 -4.983 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.445 18.514 -3.624 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.738 16.853 -4.191 1.00 0.00 H new ATOM 294 N CYS A 24 -9.184 15.475 -3.680 1.00 0.00 N ATOM 295 CA CYS A 24 -10.108 14.522 -4.275 1.00 0.00 C ATOM 296 C CYS A 24 -11.371 14.338 -3.449 1.00 0.00 C ATOM 297 O CYS A 24 -12.459 14.290 -4.019 1.00 0.00 O ATOM 298 CB CYS A 24 -9.443 13.187 -4.593 1.00 0.00 C ATOM 299 SG CYS A 24 -9.086 12.020 -3.250 1.00 0.00 S ATOM 0 H CYS A 24 -8.358 15.047 -3.262 1.00 0.00 H new ATOM 0 HA CYS A 24 -10.415 14.958 -5.225 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -10.077 12.671 -5.314 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -8.500 13.404 -5.096 1.00 0.00 H new ATOM 304 N GLN A 25 -11.246 14.225 -2.122 1.00 0.00 N ATOM 305 CA GLN A 25 -12.416 14.074 -1.268 1.00 0.00 C ATOM 306 C GLN A 25 -13.342 15.291 -1.397 1.00 0.00 C ATOM 307 O GLN A 25 -14.558 15.158 -1.269 1.00 0.00 O ATOM 308 CB GLN A 25 -11.967 13.860 0.183 1.00 0.00 C ATOM 309 CG GLN A 25 -11.498 12.414 0.379 1.00 0.00 C ATOM 310 CD GLN A 25 -11.015 12.169 1.804 1.00 0.00 C ATOM 311 OE1 GLN A 25 -9.813 12.088 2.051 1.00 0.00 O ATOM 312 NE2 GLN A 25 -11.953 12.043 2.747 1.00 0.00 N ATOM 0 H GLN A 25 -10.355 14.236 -1.626 1.00 0.00 H new ATOM 0 HA GLN A 25 -12.985 13.200 -1.586 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -11.159 14.549 0.428 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -12.790 14.079 0.863 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -12.316 11.731 0.149 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -10.693 12.194 -0.322 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -12.939 12.117 2.498 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -11.683 11.873 3.716 1.00 0.00 H new ATOM 321 N TYR A 26 -12.759 16.469 -1.662 1.00 0.00 N ATOM 322 CA TYR A 26 -13.455 17.740 -1.805 1.00 0.00 C ATOM 323 C TYR A 26 -13.738 18.111 -3.266 1.00 0.00 C ATOM 324 O TYR A 26 -14.373 19.130 -3.524 1.00 0.00 O ATOM 325 CB TYR A 26 -12.600 18.808 -1.115 1.00 0.00 C ATOM 326 CG TYR A 26 -12.126 18.478 0.289 1.00 0.00 C ATOM 327 CD1 TYR A 26 -12.864 17.609 1.116 1.00 0.00 C ATOM 328 CD2 TYR A 26 -10.940 19.056 0.770 1.00 0.00 C ATOM 329 CE1 TYR A 26 -12.401 17.299 2.406 1.00 0.00 C ATOM 330 CE2 TYR A 26 -10.490 18.765 2.068 1.00 0.00 C ATOM 331 CZ TYR A 26 -11.213 17.878 2.883 1.00 0.00 C ATOM 332 OH TYR A 26 -10.761 17.590 4.138 1.00 0.00 O ATOM 0 H TYR A 26 -11.750 16.558 -1.786 1.00 0.00 H new ATOM 0 HA TYR A 26 -14.437 17.664 -1.339 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -11.725 19.002 -1.736 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -13.174 19.734 -1.075 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -13.788 17.180 0.758 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.373 19.726 0.140 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -12.958 16.616 3.030 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.586 19.224 2.441 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.926 18.075 4.304 1.00 0.00 H new ATOM 342 N TYR A 27 -13.272 17.316 -4.237 1.00 0.00 N ATOM 343 CA TYR A 27 -13.508 17.563 -5.659 1.00 0.00 C ATOM 344 C TYR A 27 -15.009 17.634 -5.981 1.00 0.00 C ATOM 345 O TYR A 27 -15.372 18.282 -6.960 1.00 0.00 O ATOM 346 CB TYR A 27 -12.824 16.482 -6.518 1.00 0.00 C ATOM 347 CG TYR A 27 -13.264 16.492 -7.970 1.00 0.00 C ATOM 348 CD1 TYR A 27 -14.382 15.723 -8.348 1.00 0.00 C ATOM 349 CD2 TYR A 27 -12.588 17.264 -8.936 1.00 0.00 C ATOM 350 CE1 TYR A 27 -14.830 15.726 -9.676 1.00 0.00 C ATOM 351 CE2 TYR A 27 -13.041 17.264 -10.268 1.00 0.00 C ATOM 352 CZ TYR A 27 -14.162 16.502 -10.638 1.00 0.00 C ATOM 353 OH TYR A 27 -14.597 16.513 -11.932 1.00 0.00 O ATOM 0 H TYR A 27 -12.718 16.479 -4.054 1.00 0.00 H new ATOM 0 HA TYR A 27 -13.071 18.532 -5.900 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -11.744 16.624 -6.473 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -13.035 15.502 -6.090 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -14.897 15.127 -7.609 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.727 17.852 -8.655 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -15.687 15.133 -9.959 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -12.524 17.853 -11.011 1.00 0.00 H new ATOM 0 HH TYR A 27 -14.023 17.102 -12.465 1.00 0.00 H new ATOM 363 N GLN A 28 -15.832 16.984 -5.138 1.00 0.00 N ATOM 364 CA GLN A 28 -17.259 16.759 -5.068 1.00 0.00 C ATOM 365 C GLN A 28 -17.620 15.281 -4.918 1.00 0.00 C ATOM 366 O GLN A 28 -18.327 14.703 -5.741 1.00 0.00 O ATOM 367 CB GLN A 28 -18.051 17.644 -5.982 1.00 0.00 C ATOM 368 CG GLN A 28 -17.924 17.135 -7.399 1.00 0.00 C ATOM 369 CD GLN A 28 -19.200 16.537 -7.987 1.00 0.00 C ATOM 370 OE1 GLN A 28 -19.213 15.378 -8.397 1.00 0.00 O ATOM 371 NE2 GLN A 28 -20.275 17.328 -8.040 1.00 0.00 N ATOM 0 H GLN A 28 -15.401 16.520 -4.338 1.00 0.00 H new ATOM 0 HA GLN A 28 -17.636 17.134 -4.116 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -19.098 17.655 -5.679 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -17.689 18.670 -5.918 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -17.599 17.957 -8.037 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -17.139 16.379 -7.429 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -20.222 18.284 -7.689 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -21.149 16.976 -8.432 1.00 0.00 H new ATOM 380 N ASN A 29 -17.117 14.684 -3.827 1.00 0.00 N ATOM 381 CA ASN A 29 -17.311 13.284 -3.486 1.00 0.00 C ATOM 382 C ASN A 29 -17.805 13.102 -2.047 1.00 0.00 C ATOM 383 O ASN A 29 -18.591 12.187 -1.806 1.00 0.00 O ATOM 384 CB ASN A 29 -16.009 12.517 -3.740 1.00 0.00 C ATOM 385 CG ASN A 29 -15.615 12.562 -5.217 1.00 0.00 C ATOM 386 OD1 ASN A 29 -14.712 13.303 -5.598 1.00 0.00 O ATOM 387 ND2 ASN A 29 -16.298 11.777 -6.054 1.00 0.00 N ATOM 0 H ASN A 29 -16.549 15.185 -3.144 1.00 0.00 H new ATOM 0 HA ASN A 29 -18.094 12.877 -4.125 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -15.209 12.944 -3.135 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -16.128 11.480 -3.425 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -16.077 11.779 -7.050 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -17.041 11.176 -5.698 1.00 0.00 H new ATOM 394 N ASP A 30 -17.366 13.939 -1.092 1.00 0.00 N ATOM 395 CA ASP A 30 -17.808 13.824 0.296 1.00 0.00 C ATOM 396 C ASP A 30 -17.737 15.151 1.063 1.00 0.00 C ATOM 397 O ASP A 30 -16.977 15.284 2.022 1.00 0.00 O ATOM 398 CB ASP A 30 -17.089 12.664 1.010 1.00 0.00 C ATOM 399 CG ASP A 30 -15.565 12.774 0.995 1.00 0.00 C ATOM 400 OD1 ASP A 30 -14.981 12.407 -0.048 1.00 0.00 O ATOM 401 OD2 ASP A 30 -15.010 13.212 2.025 1.00 0.00 O ATOM 0 H ASP A 30 -16.707 14.699 -1.261 1.00 0.00 H new ATOM 0 HA ASP A 30 -18.869 13.576 0.278 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -17.430 12.621 2.044 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -17.380 11.725 0.539 1.00 0.00 H new ATOM 406 N ASP A 31 -18.548 16.130 0.635 1.00 0.00 N ATOM 407 CA ASP A 31 -18.668 17.455 1.243 1.00 0.00 C ATOM 408 C ASP A 31 -17.338 18.222 1.295 1.00 0.00 C ATOM 409 O ASP A 31 -16.354 17.801 0.690 1.00 0.00 O ATOM 410 CB ASP A 31 -19.327 17.287 2.626 1.00 0.00 C ATOM 411 CG ASP A 31 -20.107 18.522 3.070 1.00 0.00 C ATOM 412 OD1 ASP A 31 -21.236 18.695 2.560 1.00 0.00 O ATOM 413 OD2 ASP A 31 -19.565 19.273 3.910 1.00 0.00 O ATOM 0 H ASP A 31 -19.159 16.012 -0.174 1.00 0.00 H new ATOM 0 HA ASP A 31 -19.301 18.082 0.616 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -19.999 16.430 2.600 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -18.557 17.066 3.365 1.00 0.00 H new ATOM 418 N THR A 32 -17.319 19.357 2.014 1.00 0.00 N ATOM 419 CA THR A 32 -16.160 20.228 2.213 1.00 0.00 C ATOM 420 C THR A 32 -15.427 20.543 0.920 1.00 0.00 C ATOM 421 O THR A 32 -14.203 20.532 0.885 1.00 0.00 O ATOM 422 CB THR A 32 -15.277 19.701 3.361 1.00 0.00 C ATOM 423 OG1 THR A 32 -15.061 18.313 3.234 1.00 0.00 O ATOM 424 CG2 THR A 32 -15.941 19.950 4.718 1.00 0.00 C ATOM 0 H THR A 32 -18.151 19.703 2.492 1.00 0.00 H new ATOM 0 HA THR A 32 -16.513 21.207 2.538 1.00 0.00 H new ATOM 0 HB THR A 32 -14.328 20.234 3.304 1.00 0.00 H new ATOM 0 HG1 THR A 32 -14.335 18.152 2.595 1.00 0.00 H new ATOM 0 HG21 THR A 32 -15.299 19.569 5.512 1.00 0.00 H new ATOM 0 HG22 THR A 32 -16.095 21.020 4.857 1.00 0.00 H new ATOM 0 HG23 THR A 32 -16.903 19.438 4.752 1.00 0.00 H new ATOM 432 N ALA A 33 -16.211 20.844 -0.124 1.00 0.00 N ATOM 433 CA ALA A 33 -15.744 21.148 -1.460 1.00 0.00 C ATOM 434 C ALA A 33 -15.167 22.558 -1.624 1.00 0.00 C ATOM 435 O ALA A 33 -15.041 23.301 -0.651 1.00 0.00 O ATOM 436 CB ALA A 33 -16.836 20.755 -2.452 1.00 0.00 C ATOM 0 H ALA A 33 -17.227 20.881 -0.045 1.00 0.00 H new ATOM 0 HA ALA A 33 -14.863 20.545 -1.681 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -16.503 20.976 -3.466 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -17.042 19.688 -2.363 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -17.743 21.319 -2.237 1.00 0.00 H new ATOM 442 N GLY A 34 -14.813 22.895 -2.873 1.00 0.00 N ATOM 443 CA GLY A 34 -14.209 24.139 -3.332 1.00 0.00 C ATOM 444 C GLY A 34 -14.587 25.422 -2.595 1.00 0.00 C ATOM 445 O GLY A 34 -15.752 25.646 -2.270 1.00 0.00 O ATOM 0 H GLY A 34 -14.957 22.246 -3.646 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.126 24.027 -3.278 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.464 24.268 -4.384 1.00 0.00 H new ATOM 449 N SER A 35 -13.565 26.259 -2.358 1.00 0.00 N ATOM 450 CA SER A 35 -13.666 27.534 -1.667 1.00 0.00 C ATOM 451 C SER A 35 -13.657 28.691 -2.667 1.00 0.00 C ATOM 452 O SER A 35 -14.600 29.483 -2.656 1.00 0.00 O ATOM 453 CB SER A 35 -12.547 27.664 -0.630 1.00 0.00 C ATOM 454 OG SER A 35 -12.692 26.668 0.359 1.00 0.00 O ATOM 0 H SER A 35 -12.613 26.049 -2.658 1.00 0.00 H new ATOM 0 HA SER A 35 -14.616 27.576 -1.134 1.00 0.00 H new ATOM 0 HB2 SER A 35 -11.576 27.568 -1.116 1.00 0.00 H new ATOM 0 HB3 SER A 35 -12.577 28.652 -0.171 1.00 0.00 H new ATOM 0 HG SER A 35 -12.304 25.828 0.037 1.00 0.00 H new ATOM 460 N SER A 36 -12.630 28.799 -3.531 1.00 0.00 N ATOM 461 CA SER A 36 -12.548 29.882 -4.498 1.00 0.00 C ATOM 462 C SER A 36 -13.074 29.361 -5.829 1.00 0.00 C ATOM 463 O SER A 36 -14.090 29.834 -6.337 1.00 0.00 O ATOM 464 CB SER A 36 -11.099 30.386 -4.590 1.00 0.00 C ATOM 465 OG SER A 36 -10.186 29.336 -4.840 1.00 0.00 O ATOM 0 H SER A 36 -11.850 28.143 -3.570 1.00 0.00 H new ATOM 0 HA SER A 36 -13.156 30.735 -4.196 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.024 31.128 -5.385 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.830 30.886 -3.660 1.00 0.00 H new ATOM 0 HG SER A 36 -9.277 29.699 -4.893 1.00 0.00 H new ATOM 471 N THR A 37 -12.360 28.370 -6.367 1.00 0.00 N ATOM 472 CA THR A 37 -12.625 27.697 -7.624 1.00 0.00 C ATOM 473 C THR A 37 -12.215 26.224 -7.537 1.00 0.00 C ATOM 474 O THR A 37 -12.945 25.358 -8.013 1.00 0.00 O ATOM 475 CB THR A 37 -11.838 28.399 -8.743 1.00 0.00 C ATOM 476 OG1 THR A 37 -10.473 28.477 -8.388 1.00 0.00 O ATOM 477 CG2 THR A 37 -12.340 29.820 -9.007 1.00 0.00 C ATOM 0 H THR A 37 -11.532 27.999 -5.902 1.00 0.00 H new ATOM 0 HA THR A 37 -13.692 27.743 -7.841 1.00 0.00 H new ATOM 0 HB THR A 37 -11.980 27.807 -9.648 1.00 0.00 H new ATOM 0 HG1 THR A 37 -9.978 27.757 -8.832 1.00 0.00 H new ATOM 0 HG21 THR A 37 -11.751 30.271 -9.806 1.00 0.00 H new ATOM 0 HG22 THR A 37 -13.388 29.786 -9.304 1.00 0.00 H new ATOM 0 HG23 THR A 37 -12.239 30.416 -8.100 1.00 0.00 H new ATOM 485 N TYR A 38 -11.057 25.941 -6.920 1.00 0.00 N ATOM 486 CA TYR A 38 -10.496 24.603 -6.782 1.00 0.00 C ATOM 487 C TYR A 38 -10.971 23.975 -5.465 1.00 0.00 C ATOM 488 O TYR A 38 -11.242 24.719 -4.525 1.00 0.00 O ATOM 489 CB TYR A 38 -8.957 24.698 -6.810 1.00 0.00 C ATOM 490 CG TYR A 38 -8.389 25.858 -7.614 1.00 0.00 C ATOM 491 CD1 TYR A 38 -8.669 25.980 -8.986 1.00 0.00 C ATOM 492 CD2 TYR A 38 -7.588 26.828 -6.985 1.00 0.00 C ATOM 493 CE1 TYR A 38 -8.156 27.062 -9.722 1.00 0.00 C ATOM 494 CE2 TYR A 38 -7.085 27.916 -7.712 1.00 0.00 C ATOM 495 CZ TYR A 38 -7.370 28.038 -9.083 1.00 0.00 C ATOM 496 OH TYR A 38 -6.878 29.094 -9.790 1.00 0.00 O ATOM 0 H TYR A 38 -10.475 26.662 -6.494 1.00 0.00 H new ATOM 0 HA TYR A 38 -10.831 23.973 -7.606 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -8.596 24.778 -5.785 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.560 23.768 -7.216 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -9.282 25.238 -9.477 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -7.359 26.734 -5.934 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -8.365 27.144 -10.778 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.478 28.661 -7.218 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.358 29.673 -9.194 1.00 0.00 H new ATOM 506 N PRO A 39 -11.085 22.637 -5.368 1.00 0.00 N ATOM 507 CA PRO A 39 -10.833 21.669 -6.418 1.00 0.00 C ATOM 508 C PRO A 39 -12.062 21.491 -7.310 1.00 0.00 C ATOM 509 O PRO A 39 -13.183 21.347 -6.823 1.00 0.00 O ATOM 510 CB PRO A 39 -10.476 20.364 -5.709 1.00 0.00 C ATOM 511 CG PRO A 39 -11.054 20.501 -4.298 1.00 0.00 C ATOM 512 CD PRO A 39 -11.502 21.954 -4.158 1.00 0.00 C ATOM 0 HA PRO A 39 -10.027 21.998 -7.074 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -10.902 19.505 -6.227 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -9.397 20.215 -5.679 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -11.893 19.820 -4.153 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -10.306 20.250 -3.545 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -12.583 22.015 -4.032 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -11.052 22.415 -3.279 1.00 0.00 H new ATOM 520 N HIS A 40 -11.821 21.494 -8.624 1.00 0.00 N ATOM 521 CA HIS A 40 -12.813 21.331 -9.677 1.00 0.00 C ATOM 522 C HIS A 40 -12.084 20.951 -10.965 1.00 0.00 C ATOM 523 O HIS A 40 -10.855 20.977 -11.003 1.00 0.00 O ATOM 524 CB HIS A 40 -13.599 22.636 -9.887 1.00 0.00 C ATOM 525 CG HIS A 40 -12.826 23.730 -10.592 1.00 0.00 C ATOM 526 ND1 HIS A 40 -13.440 24.644 -11.435 1.00 0.00 N ATOM 527 CD2 HIS A 40 -11.495 24.075 -10.606 1.00 0.00 C ATOM 528 CE1 HIS A 40 -12.485 25.466 -11.905 1.00 0.00 C ATOM 529 NE2 HIS A 40 -11.272 25.171 -11.433 1.00 0.00 N ATOM 0 H HIS A 40 -10.879 21.617 -8.995 1.00 0.00 H new ATOM 0 HA HIS A 40 -13.522 20.552 -9.397 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -14.498 22.415 -10.463 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -13.926 23.008 -8.916 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -10.725 23.563 -10.049 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -12.679 26.278 -12.591 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -10.388 25.640 -11.632 1.00 0.00 H new ATOM 537 N THR A 41 -12.835 20.613 -12.021 1.00 0.00 N ATOM 538 CA THR A 41 -12.250 20.260 -13.306 1.00 0.00 C ATOM 539 C THR A 41 -11.439 21.445 -13.840 1.00 0.00 C ATOM 540 O THR A 41 -11.790 22.600 -13.598 1.00 0.00 O ATOM 541 CB THR A 41 -13.330 19.792 -14.285 1.00 0.00 C ATOM 542 OG1 THR A 41 -12.728 19.141 -15.385 1.00 0.00 O ATOM 543 CG2 THR A 41 -14.154 20.974 -14.790 1.00 0.00 C ATOM 0 H THR A 41 -13.854 20.579 -12.003 1.00 0.00 H new ATOM 0 HA THR A 41 -11.567 19.420 -13.182 1.00 0.00 H new ATOM 0 HB THR A 41 -13.990 19.101 -13.761 1.00 0.00 H new ATOM 0 HG1 THR A 41 -13.423 18.842 -16.008 1.00 0.00 H new ATOM 0 HG21 THR A 41 -14.915 20.617 -15.484 1.00 0.00 H new ATOM 0 HG22 THR A 41 -14.636 21.469 -13.946 1.00 0.00 H new ATOM 0 HG23 THR A 41 -13.501 21.681 -15.301 1.00 0.00 H new ATOM 551 N TYR A 42 -10.361 21.158 -14.574 1.00 0.00 N ATOM 552 CA TYR A 42 -9.497 22.189 -15.120 1.00 0.00 C ATOM 553 C TYR A 42 -10.123 22.770 -16.385 1.00 0.00 C ATOM 554 O TYR A 42 -10.302 22.066 -17.378 1.00 0.00 O ATOM 555 CB TYR A 42 -8.102 21.617 -15.382 1.00 0.00 C ATOM 556 CG TYR A 42 -7.047 22.601 -15.865 1.00 0.00 C ATOM 557 CD1 TYR A 42 -7.097 23.977 -15.550 1.00 0.00 C ATOM 558 CD2 TYR A 42 -5.986 22.112 -16.642 1.00 0.00 C ATOM 559 CE1 TYR A 42 -6.090 24.841 -16.010 1.00 0.00 C ATOM 560 CE2 TYR A 42 -4.976 22.975 -17.100 1.00 0.00 C ATOM 561 CZ TYR A 42 -5.027 24.343 -16.785 1.00 0.00 C ATOM 562 OH TYR A 42 -4.055 25.188 -17.237 1.00 0.00 O ATOM 0 H TYR A 42 -10.070 20.207 -14.802 1.00 0.00 H new ATOM 0 HA TYR A 42 -9.389 23.000 -14.400 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -7.743 21.156 -14.462 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -8.192 20.822 -16.122 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -7.910 24.365 -14.955 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -5.945 21.062 -16.891 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -6.132 25.893 -15.768 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -4.161 22.587 -17.694 1.00 0.00 H new ATOM 0 HH TYR A 42 -3.387 24.678 -17.742 1.00 0.00 H new ATOM 572 N ASN A 43 -10.450 24.064 -16.329 1.00 0.00 N ATOM 573 CA ASN A 43 -11.068 24.808 -17.414 1.00 0.00 C ATOM 574 C ASN A 43 -10.119 24.999 -18.603 1.00 0.00 C ATOM 575 O ASN A 43 -10.480 24.660 -19.729 1.00 0.00 O ATOM 576 CB ASN A 43 -11.640 26.137 -16.889 1.00 0.00 C ATOM 577 CG ASN A 43 -10.713 26.962 -15.989 1.00 0.00 C ATOM 578 OD1 ASN A 43 -9.520 26.692 -15.859 1.00 0.00 O ATOM 579 ND2 ASN A 43 -11.282 27.983 -15.346 1.00 0.00 N ATOM 0 H ASN A 43 -10.284 24.634 -15.499 1.00 0.00 H new ATOM 0 HA ASN A 43 -11.900 24.219 -17.800 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.923 26.751 -17.744 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -12.554 25.922 -16.335 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -10.725 28.568 -14.723 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.274 28.179 -15.477 1.00 0.00 H new ATOM 586 N ASN A 44 -8.912 25.524 -18.356 1.00 0.00 N ATOM 587 CA ASN A 44 -7.903 25.788 -19.374 1.00 0.00 C ATOM 588 C ASN A 44 -7.011 24.560 -19.602 1.00 0.00 C ATOM 589 O ASN A 44 -7.308 23.471 -19.112 1.00 0.00 O ATOM 590 CB ASN A 44 -7.093 27.033 -18.970 1.00 0.00 C ATOM 591 CG ASN A 44 -7.988 28.247 -18.728 1.00 0.00 C ATOM 592 OD1 ASN A 44 -8.131 28.702 -17.595 1.00 0.00 O ATOM 593 ND2 ASN A 44 -8.586 28.778 -19.799 1.00 0.00 N ATOM 0 H ASN A 44 -8.609 25.781 -17.417 1.00 0.00 H new ATOM 0 HA ASN A 44 -8.390 25.990 -20.328 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -6.524 26.817 -18.066 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -6.371 27.265 -19.753 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -9.189 29.594 -19.694 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -8.439 28.368 -20.721 1.00 0.00 H new ATOM 600 N TYR A 45 -5.924 24.752 -20.362 1.00 0.00 N ATOM 601 CA TYR A 45 -4.921 23.753 -20.715 1.00 0.00 C ATOM 602 C TYR A 45 -3.533 24.319 -20.397 1.00 0.00 C ATOM 603 O TYR A 45 -2.729 23.664 -19.734 1.00 0.00 O ATOM 604 CB TYR A 45 -5.073 23.352 -22.190 1.00 0.00 C ATOM 605 CG TYR A 45 -5.260 24.496 -23.174 1.00 0.00 C ATOM 606 CD1 TYR A 45 -6.544 25.044 -23.373 1.00 0.00 C ATOM 607 CD2 TYR A 45 -4.165 25.013 -23.893 1.00 0.00 C ATOM 608 CE1 TYR A 45 -6.728 26.108 -24.270 1.00 0.00 C ATOM 609 CE2 TYR A 45 -4.351 26.079 -24.791 1.00 0.00 C ATOM 610 CZ TYR A 45 -5.631 26.632 -24.974 1.00 0.00 C ATOM 611 OH TYR A 45 -5.811 27.674 -25.838 1.00 0.00 O ATOM 0 H TYR A 45 -5.714 25.664 -20.768 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.058 22.844 -20.129 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.190 22.785 -22.485 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.927 22.680 -22.278 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -7.389 24.643 -22.833 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -3.181 24.590 -23.754 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -7.713 26.524 -24.419 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -3.510 26.474 -25.341 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.952 27.916 -26.242 1.00 0.00 H new ATOM 621 N GLU A 46 -3.268 25.538 -20.888 1.00 0.00 N ATOM 622 CA GLU A 46 -2.041 26.296 -20.697 1.00 0.00 C ATOM 623 C GLU A 46 -0.772 25.530 -21.097 1.00 0.00 C ATOM 624 O GLU A 46 0.021 25.140 -20.241 1.00 0.00 O ATOM 625 CB GLU A 46 -2.016 26.817 -19.254 1.00 0.00 C ATOM 626 CG GLU A 46 -1.019 27.964 -19.054 1.00 0.00 C ATOM 627 CD GLU A 46 -1.183 28.607 -17.678 1.00 0.00 C ATOM 628 OE1 GLU A 46 -1.689 27.907 -16.773 1.00 0.00 O ATOM 629 OE2 GLU A 46 -0.799 29.791 -17.554 1.00 0.00 O ATOM 0 H GLU A 46 -3.947 26.042 -21.459 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.040 27.145 -21.381 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.014 27.157 -18.978 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -1.761 25.998 -18.581 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.002 27.588 -19.163 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.166 28.716 -19.829 1.00 0.00 H new ATOM 636 N GLY A 47 -0.595 25.328 -22.409 1.00 0.00 N ATOM 637 CA GLY A 47 0.552 24.653 -22.995 1.00 0.00 C ATOM 638 C GLY A 47 0.667 23.188 -22.577 1.00 0.00 C ATOM 639 O GLY A 47 0.001 22.328 -23.153 1.00 0.00 O ATOM 0 H GLY A 47 -1.270 25.642 -23.106 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.483 24.710 -24.081 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.462 25.179 -22.706 1.00 0.00 H new ATOM 643 N PHE A 48 1.519 22.914 -21.579 1.00 0.00 N ATOM 644 CA PHE A 48 1.768 21.568 -21.078 1.00 0.00 C ATOM 645 C PHE A 48 0.523 20.858 -20.548 1.00 0.00 C ATOM 646 O PHE A 48 -0.449 21.484 -20.126 1.00 0.00 O ATOM 647 CB PHE A 48 2.927 21.527 -20.067 1.00 0.00 C ATOM 648 CG PHE A 48 3.113 22.702 -19.121 1.00 0.00 C ATOM 649 CD1 PHE A 48 2.058 23.152 -18.305 1.00 0.00 C ATOM 650 CD2 PHE A 48 4.367 23.340 -19.051 1.00 0.00 C ATOM 651 CE1 PHE A 48 2.257 24.233 -17.426 1.00 0.00 C ATOM 652 CE2 PHE A 48 4.565 24.418 -18.174 1.00 0.00 C ATOM 653 CZ PHE A 48 3.515 24.858 -17.355 1.00 0.00 C ATOM 0 H PHE A 48 2.057 23.633 -21.096 1.00 0.00 H new ATOM 0 HA PHE A 48 2.076 20.995 -21.953 1.00 0.00 H new ATOM 0 HB2 PHE A 48 2.804 20.630 -19.460 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.852 21.406 -20.630 1.00 0.00 H new ATOM 0 HD1 PHE A 48 1.094 22.667 -18.354 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.180 22.998 -19.675 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.444 24.582 -16.806 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.526 24.909 -18.130 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.673 25.677 -16.669 1.00 0.00 H new ATOM 663 N ASP A 49 0.592 19.522 -20.601 1.00 0.00 N ATOM 664 CA ASP A 49 -0.435 18.591 -20.165 1.00 0.00 C ATOM 665 C ASP A 49 0.146 17.676 -19.084 1.00 0.00 C ATOM 666 O ASP A 49 1.245 17.916 -18.584 1.00 0.00 O ATOM 667 CB ASP A 49 -0.960 17.819 -21.385 1.00 0.00 C ATOM 668 CG ASP A 49 -1.560 18.769 -22.419 1.00 0.00 C ATOM 669 OD1 ASP A 49 -2.687 19.248 -22.164 1.00 0.00 O ATOM 670 OD2 ASP A 49 -0.879 19.009 -23.439 1.00 0.00 O ATOM 0 H ASP A 49 1.414 19.044 -20.971 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.283 19.114 -19.723 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.147 17.251 -21.837 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.714 17.099 -21.067 1.00 0.00 H new ATOM 675 N PHE A 50 -0.605 16.630 -18.721 1.00 0.00 N ATOM 676 CA PHE A 50 -0.254 15.656 -17.695 1.00 0.00 C ATOM 677 C PHE A 50 -0.468 14.250 -18.274 1.00 0.00 C ATOM 678 O PHE A 50 -1.216 14.117 -19.242 1.00 0.00 O ATOM 679 CB PHE A 50 -1.095 15.980 -16.447 1.00 0.00 C ATOM 680 CG PHE A 50 -0.882 17.417 -15.992 1.00 0.00 C ATOM 681 CD1 PHE A 50 -1.629 18.458 -16.576 1.00 0.00 C ATOM 682 CD2 PHE A 50 0.069 17.719 -14.999 1.00 0.00 C ATOM 683 CE1 PHE A 50 -1.425 19.789 -16.181 1.00 0.00 C ATOM 684 CE2 PHE A 50 0.272 19.053 -14.600 1.00 0.00 C ATOM 685 CZ PHE A 50 -0.467 20.087 -15.201 1.00 0.00 C ATOM 0 H PHE A 50 -1.508 16.436 -19.154 1.00 0.00 H new ATOM 0 HA PHE A 50 0.792 15.698 -17.390 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.151 15.819 -16.666 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.829 15.298 -15.640 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.364 18.230 -17.334 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.643 16.926 -14.543 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.004 20.582 -16.631 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.996 19.283 -13.832 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.297 21.112 -14.908 1.00 0.00 H new ATOM 695 N PRO A 51 0.175 13.201 -17.722 1.00 0.00 N ATOM 696 CA PRO A 51 0.065 11.827 -18.208 1.00 0.00 C ATOM 697 C PRO A 51 -1.282 11.171 -17.870 1.00 0.00 C ATOM 698 O PRO A 51 -1.340 10.217 -17.097 1.00 0.00 O ATOM 699 CB PRO A 51 1.256 11.097 -17.574 1.00 0.00 C ATOM 700 CG PRO A 51 1.402 11.807 -16.230 1.00 0.00 C ATOM 701 CD PRO A 51 1.084 13.259 -16.587 1.00 0.00 C ATOM 0 HA PRO A 51 0.094 11.785 -19.297 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.060 10.032 -17.451 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.157 11.187 -18.181 1.00 0.00 H new ATOM 0 HG2 PRO A 51 0.711 11.412 -15.485 1.00 0.00 H new ATOM 0 HG3 PRO A 51 2.407 11.700 -15.822 1.00 0.00 H new ATOM 0 HD2 PRO A 51 0.625 13.777 -15.745 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.992 13.806 -16.841 1.00 0.00 H new ATOM 709 N VAL A 52 -2.359 11.689 -18.472 1.00 0.00 N ATOM 710 CA VAL A 52 -3.737 11.242 -18.332 1.00 0.00 C ATOM 711 C VAL A 52 -4.562 11.814 -19.485 1.00 0.00 C ATOM 712 O VAL A 52 -4.132 12.741 -20.173 1.00 0.00 O ATOM 713 CB VAL A 52 -4.361 11.699 -16.996 1.00 0.00 C ATOM 714 CG1 VAL A 52 -3.917 10.841 -15.806 1.00 0.00 C ATOM 715 CG2 VAL A 52 -4.111 13.191 -16.727 1.00 0.00 C ATOM 0 H VAL A 52 -2.279 12.482 -19.109 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.740 10.152 -18.349 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.436 11.554 -17.104 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.388 11.210 -14.895 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.213 9.805 -15.973 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.833 10.896 -15.702 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.567 13.471 -15.777 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.038 13.378 -16.684 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.551 13.784 -17.529 1.00 0.00 H new ATOM 725 N ASP A 53 -5.761 11.253 -19.679 1.00 0.00 N ATOM 726 CA ASP A 53 -6.707 11.673 -20.699 1.00 0.00 C ATOM 727 C ASP A 53 -7.519 12.841 -20.137 1.00 0.00 C ATOM 728 O ASP A 53 -7.509 13.933 -20.703 1.00 0.00 O ATOM 729 CB ASP A 53 -7.608 10.489 -21.074 1.00 0.00 C ATOM 730 CG ASP A 53 -8.692 10.885 -22.075 1.00 0.00 C ATOM 731 OD1 ASP A 53 -8.401 10.809 -23.288 1.00 0.00 O ATOM 732 OD2 ASP A 53 -9.793 11.258 -21.610 1.00 0.00 O ATOM 0 H ASP A 53 -6.101 10.476 -19.113 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.194 11.999 -21.604 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.999 9.690 -21.497 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -8.075 10.090 -20.174 1.00 0.00 H new ATOM 737 N GLY A 54 -8.209 12.589 -19.017 1.00 0.00 N ATOM 738 CA GLY A 54 -9.055 13.546 -18.323 1.00 0.00 C ATOM 739 C GLY A 54 -10.412 12.922 -17.994 1.00 0.00 C ATOM 740 O GLY A 54 -10.668 11.776 -18.359 1.00 0.00 O ATOM 0 H GLY A 54 -8.187 11.678 -18.559 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -8.567 13.873 -17.405 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -9.196 14.432 -18.942 1.00 0.00 H new ATOM 744 N PRO A 55 -11.295 13.664 -17.307 1.00 0.00 N ATOM 745 CA PRO A 55 -11.087 15.028 -16.838 1.00 0.00 C ATOM 746 C PRO A 55 -10.187 15.063 -15.599 1.00 0.00 C ATOM 747 O PRO A 55 -10.315 14.214 -14.720 1.00 0.00 O ATOM 748 CB PRO A 55 -12.491 15.540 -16.500 1.00 0.00 C ATOM 749 CG PRO A 55 -13.258 14.282 -16.099 1.00 0.00 C ATOM 750 CD PRO A 55 -12.620 13.184 -16.949 1.00 0.00 C ATOM 0 HA PRO A 55 -10.587 15.641 -17.588 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -12.466 16.267 -15.689 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -12.953 16.033 -17.356 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -13.157 14.074 -15.034 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -14.324 14.380 -16.305 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -12.558 12.249 -16.393 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -13.216 12.986 -17.840 1.00 0.00 H new ATOM 758 N TYR A 56 -9.272 16.043 -15.547 1.00 0.00 N ATOM 759 CA TYR A 56 -8.346 16.260 -14.445 1.00 0.00 C ATOM 760 C TYR A 56 -8.659 17.594 -13.771 1.00 0.00 C ATOM 761 O TYR A 56 -9.146 18.517 -14.418 1.00 0.00 O ATOM 762 CB TYR A 56 -6.897 16.079 -14.912 1.00 0.00 C ATOM 763 CG TYR A 56 -6.375 16.928 -16.054 1.00 0.00 C ATOM 764 CD1 TYR A 56 -6.768 16.671 -17.382 1.00 0.00 C ATOM 765 CD2 TYR A 56 -5.476 17.974 -15.785 1.00 0.00 C ATOM 766 CE1 TYR A 56 -6.266 17.457 -18.433 1.00 0.00 C ATOM 767 CE2 TYR A 56 -4.969 18.752 -16.836 1.00 0.00 C ATOM 768 CZ TYR A 56 -5.360 18.495 -18.161 1.00 0.00 C ATOM 769 OH TYR A 56 -4.856 19.255 -19.177 1.00 0.00 O ATOM 0 H TYR A 56 -9.159 16.723 -16.299 1.00 0.00 H new ATOM 0 HA TYR A 56 -8.476 15.503 -13.671 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -6.251 16.254 -14.052 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -6.772 15.034 -15.197 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -7.458 15.867 -17.593 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -5.175 18.179 -14.768 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -6.577 17.263 -19.449 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -4.275 19.552 -16.626 1.00 0.00 H new ATOM 0 HH TYR A 56 -4.245 19.928 -18.810 1.00 0.00 H new ATOM 779 N GLN A 57 -8.364 17.674 -12.466 1.00 0.00 N ATOM 780 CA GLN A 57 -8.627 18.815 -11.599 1.00 0.00 C ATOM 781 C GLN A 57 -7.399 19.542 -11.060 1.00 0.00 C ATOM 782 O GLN A 57 -6.300 18.992 -11.004 1.00 0.00 O ATOM 783 CB GLN A 57 -9.456 18.305 -10.413 1.00 0.00 C ATOM 784 CG GLN A 57 -8.750 17.150 -9.694 1.00 0.00 C ATOM 785 CD GLN A 57 -9.396 16.772 -8.364 1.00 0.00 C ATOM 786 OE1 GLN A 57 -9.977 15.697 -8.238 1.00 0.00 O ATOM 787 NE2 GLN A 57 -9.285 17.651 -7.364 1.00 0.00 N ATOM 0 H GLN A 57 -7.914 16.905 -11.969 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.142 19.554 -12.213 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -9.630 19.121 -9.711 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -10.433 17.974 -10.765 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -8.744 16.277 -10.346 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -7.710 17.424 -9.518 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -8.794 18.533 -7.512 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -9.691 17.440 -6.452 1.00 0.00 H new ATOM 796 N GLU A 58 -7.634 20.795 -10.649 1.00 0.00 N ATOM 797 CA GLU A 58 -6.656 21.708 -10.077 1.00 0.00 C ATOM 798 C GLU A 58 -6.776 21.696 -8.551 1.00 0.00 C ATOM 799 O GLU A 58 -7.850 21.411 -8.025 1.00 0.00 O ATOM 800 CB GLU A 58 -6.958 23.135 -10.563 1.00 0.00 C ATOM 801 CG GLU A 58 -6.896 23.326 -12.082 1.00 0.00 C ATOM 802 CD GLU A 58 -5.477 23.230 -12.634 1.00 0.00 C ATOM 803 OE1 GLU A 58 -4.668 24.116 -12.280 1.00 0.00 O ATOM 804 OE2 GLU A 58 -5.228 22.280 -13.406 1.00 0.00 O ATOM 0 H GLU A 58 -8.562 21.214 -10.713 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.656 21.399 -10.381 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.952 23.419 -10.216 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.250 23.820 -10.096 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.520 22.573 -12.564 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -7.315 24.299 -12.338 1.00 0.00 H new ATOM 811 N PHE A 59 -5.679 21.987 -7.839 1.00 0.00 N ATOM 812 CA PHE A 59 -5.650 22.072 -6.381 1.00 0.00 C ATOM 813 C PHE A 59 -4.412 22.869 -5.960 1.00 0.00 C ATOM 814 O PHE A 59 -3.297 22.455 -6.246 1.00 0.00 O ATOM 815 CB PHE A 59 -5.693 20.709 -5.701 1.00 0.00 C ATOM 816 CG PHE A 59 -5.737 20.865 -4.192 1.00 0.00 C ATOM 817 CD1 PHE A 59 -4.543 20.960 -3.452 1.00 0.00 C ATOM 818 CD2 PHE A 59 -6.975 20.933 -3.526 1.00 0.00 C ATOM 819 CE1 PHE A 59 -4.588 21.118 -2.059 1.00 0.00 C ATOM 820 CE2 PHE A 59 -7.018 21.066 -2.130 1.00 0.00 C ATOM 821 CZ PHE A 59 -5.823 21.157 -1.401 1.00 0.00 C ATOM 0 H PHE A 59 -4.774 22.172 -8.272 1.00 0.00 H new ATOM 0 HA PHE A 59 -6.553 22.586 -6.052 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.568 20.155 -6.040 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.817 20.127 -5.986 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -3.590 20.911 -3.958 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -7.894 20.883 -4.091 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.671 21.209 -1.495 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.968 21.098 -1.618 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.856 21.258 -0.326 1.00 0.00 H new ATOM 831 N PRO A 60 -4.539 24.000 -5.263 1.00 0.00 N ATOM 832 CA PRO A 60 -3.387 24.790 -4.903 1.00 0.00 C ATOM 833 C PRO A 60 -2.679 24.309 -3.621 1.00 0.00 C ATOM 834 O PRO A 60 -3.312 24.219 -2.572 1.00 0.00 O ATOM 835 CB PRO A 60 -3.965 26.185 -4.856 1.00 0.00 C ATOM 836 CG PRO A 60 -5.304 25.958 -4.158 1.00 0.00 C ATOM 837 CD PRO A 60 -5.752 24.629 -4.783 1.00 0.00 C ATOM 0 HA PRO A 60 -2.558 24.717 -5.607 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -3.327 26.871 -4.299 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -4.092 26.606 -5.853 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.196 25.887 -3.076 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.011 26.763 -4.355 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.256 24.000 -4.049 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -6.457 24.796 -5.598 1.00 0.00 H new ATOM 845 N ILE A 61 -1.374 23.987 -3.693 1.00 0.00 N ATOM 846 CA ILE A 61 -0.569 23.532 -2.564 1.00 0.00 C ATOM 847 C ILE A 61 0.009 24.682 -1.784 1.00 0.00 C ATOM 848 O ILE A 61 0.010 25.846 -2.184 1.00 0.00 O ATOM 849 CB ILE A 61 0.527 22.532 -2.990 1.00 0.00 C ATOM 850 CG1 ILE A 61 1.591 21.902 -2.049 1.00 0.00 C ATOM 851 CG2 ILE A 61 1.232 22.974 -4.271 1.00 0.00 C ATOM 852 CD1 ILE A 61 1.067 20.786 -1.135 1.00 0.00 C ATOM 0 H ILE A 61 -0.845 24.040 -4.564 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.247 22.997 -1.900 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.163 21.691 -3.058 1.00 0.00 H new ATOM 0 HG12 ILE A 61 2.402 21.502 -2.658 1.00 0.00 H new ATOM 0 HG13 ILE A 61 2.017 22.690 -1.428 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.996 22.243 -4.537 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.505 23.049 -5.079 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.699 23.946 -4.112 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.882 20.409 -0.517 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.278 21.180 -0.495 1.00 0.00 H new ATOM 0 HD13 ILE A 61 0.668 19.974 -1.744 1.00 0.00 H new ATOM 864 N LYS A 62 0.507 24.230 -0.647 1.00 0.00 N ATOM 865 CA LYS A 62 1.135 25.035 0.397 1.00 0.00 C ATOM 866 C LYS A 62 2.040 24.189 1.292 1.00 0.00 C ATOM 867 O LYS A 62 1.881 22.972 1.384 1.00 0.00 O ATOM 868 CB LYS A 62 0.086 25.799 1.233 1.00 0.00 C ATOM 869 CG LYS A 62 -0.096 27.268 0.815 1.00 0.00 C ATOM 870 CD LYS A 62 1.125 28.145 1.133 1.00 0.00 C ATOM 871 CE LYS A 62 0.925 29.565 0.594 1.00 0.00 C ATOM 872 NZ LYS A 62 2.102 30.409 0.860 1.00 0.00 N ATOM 0 H LYS A 62 0.485 23.238 -0.410 1.00 0.00 H new ATOM 0 HA LYS A 62 1.762 25.774 -0.102 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.873 25.287 1.151 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.377 25.764 2.283 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.298 27.312 -0.255 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.970 27.677 1.321 1.00 0.00 H new ATOM 0 HD2 LYS A 62 1.284 28.179 2.211 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.020 27.706 0.692 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.738 29.526 -0.479 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.044 30.011 1.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.936 31.364 0.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.265 30.465 1.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.937 29.995 0.399 1.00 0.00 H new ATOM 886 N SER A 63 2.986 24.868 1.958 1.00 0.00 N ATOM 887 CA SER A 63 3.980 24.290 2.852 1.00 0.00 C ATOM 888 C SER A 63 3.402 24.129 4.256 1.00 0.00 C ATOM 889 O SER A 63 3.902 24.705 5.222 1.00 0.00 O ATOM 890 CB SER A 63 5.237 25.169 2.853 1.00 0.00 C ATOM 891 OG SER A 63 5.775 25.251 1.553 1.00 0.00 O ATOM 0 H SER A 63 3.076 25.881 1.879 1.00 0.00 H new ATOM 0 HA SER A 63 4.258 23.296 2.500 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.991 26.167 3.216 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.979 24.755 3.536 1.00 0.00 H new ATOM 0 HG SER A 63 5.452 24.497 1.017 1.00 0.00 H new ATOM 897 N GLY A 64 2.328 23.342 4.346 1.00 0.00 N ATOM 898 CA GLY A 64 1.631 23.035 5.581 1.00 0.00 C ATOM 899 C GLY A 64 0.876 21.724 5.400 1.00 0.00 C ATOM 900 O GLY A 64 1.145 20.749 6.099 1.00 0.00 O ATOM 0 H GLY A 64 1.912 22.890 3.532 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.340 22.953 6.405 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.939 23.838 5.835 1.00 0.00 H new ATOM 904 N GLY A 65 -0.068 21.709 4.453 1.00 0.00 N ATOM 905 CA GLY A 65 -0.868 20.539 4.139 1.00 0.00 C ATOM 906 C GLY A 65 -1.895 20.897 3.068 1.00 0.00 C ATOM 907 O GLY A 65 -1.545 21.038 1.897 1.00 0.00 O ATOM 0 H GLY A 65 -0.294 22.523 3.881 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -0.227 19.731 3.787 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.372 20.179 5.036 1.00 0.00 H new ATOM 911 N VAL A 66 -3.157 21.052 3.485 1.00 0.00 N ATOM 912 CA VAL A 66 -4.278 21.382 2.614 1.00 0.00 C ATOM 913 C VAL A 66 -4.256 22.899 2.345 1.00 0.00 C ATOM 914 O VAL A 66 -3.580 23.644 3.055 1.00 0.00 O ATOM 915 CB VAL A 66 -5.593 20.857 3.237 1.00 0.00 C ATOM 916 CG1 VAL A 66 -6.698 20.683 2.189 1.00 0.00 C ATOM 917 CG2 VAL A 66 -5.412 19.468 3.876 1.00 0.00 C ATOM 0 H VAL A 66 -3.428 20.948 4.463 1.00 0.00 H new ATOM 0 HA VAL A 66 -4.200 20.890 1.644 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.866 21.606 3.980 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -7.602 20.313 2.672 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -6.906 21.643 1.717 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -6.373 19.969 1.432 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.359 19.137 4.301 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.088 18.757 3.116 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.661 19.525 4.664 1.00 0.00 H new ATOM 927 N TYR A 67 -4.987 23.362 1.322 1.00 0.00 N ATOM 928 CA TYR A 67 -5.050 24.761 0.912 1.00 0.00 C ATOM 929 C TYR A 67 -5.496 25.736 2.004 1.00 0.00 C ATOM 930 O TYR A 67 -6.217 25.372 2.932 1.00 0.00 O ATOM 931 CB TYR A 67 -5.858 24.920 -0.388 1.00 0.00 C ATOM 932 CG TYR A 67 -7.367 24.701 -0.393 1.00 0.00 C ATOM 933 CD1 TYR A 67 -8.057 24.062 0.659 1.00 0.00 C ATOM 934 CD2 TYR A 67 -8.095 25.151 -1.512 1.00 0.00 C ATOM 935 CE1 TYR A 67 -9.449 23.878 0.588 1.00 0.00 C ATOM 936 CE2 TYR A 67 -9.486 24.968 -1.581 1.00 0.00 C ATOM 937 CZ TYR A 67 -10.165 24.320 -0.536 1.00 0.00 C ATOM 938 OH TYR A 67 -11.515 24.129 -0.608 1.00 0.00 O ATOM 0 H TYR A 67 -5.565 22.752 0.744 1.00 0.00 H new ATOM 0 HA TYR A 67 -4.019 25.052 0.712 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.678 25.930 -0.757 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.431 24.233 -1.118 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -7.513 23.712 1.524 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -7.579 25.641 -2.324 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -9.970 23.395 1.401 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -10.035 25.326 -2.439 1.00 0.00 H new ATOM 0 HH TYR A 67 -11.853 24.496 -1.452 1.00 0.00 H new ATOM 948 N THR A 68 -5.037 26.988 1.875 1.00 0.00 N ATOM 949 CA THR A 68 -5.329 28.095 2.773 1.00 0.00 C ATOM 950 C THR A 68 -5.564 29.355 1.934 1.00 0.00 C ATOM 951 O THR A 68 -6.675 29.883 1.915 1.00 0.00 O ATOM 952 CB THR A 68 -4.193 28.279 3.796 1.00 0.00 C ATOM 953 OG1 THR A 68 -2.941 28.382 3.148 1.00 0.00 O ATOM 954 CG2 THR A 68 -4.131 27.124 4.801 1.00 0.00 C ATOM 0 H THR A 68 -4.426 27.261 1.105 1.00 0.00 H new ATOM 0 HA THR A 68 -6.231 27.887 3.348 1.00 0.00 H new ATOM 0 HB THR A 68 -4.410 29.202 4.334 1.00 0.00 H new ATOM 0 HG1 THR A 68 -2.235 28.500 3.817 1.00 0.00 H new ATOM 0 HG21 THR A 68 -3.315 27.296 5.503 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.073 27.065 5.346 1.00 0.00 H new ATOM 0 HG23 THR A 68 -3.961 26.188 4.269 1.00 0.00 H new ATOM 962 N GLY A 69 -4.517 29.832 1.245 1.00 0.00 N ATOM 963 CA GLY A 69 -4.563 31.006 0.388 1.00 0.00 C ATOM 964 C GLY A 69 -4.470 32.285 1.216 1.00 0.00 C ATOM 965 O GLY A 69 -5.444 32.674 1.860 1.00 0.00 O ATOM 0 H GLY A 69 -3.596 29.395 1.275 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.743 30.971 -0.329 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -5.489 31.006 -0.187 1.00 0.00 H new ATOM 969 N GLY A 70 -3.300 32.939 1.190 1.00 0.00 N ATOM 970 CA GLY A 70 -3.062 34.179 1.915 1.00 0.00 C ATOM 971 C GLY A 70 -2.039 35.087 1.230 1.00 0.00 C ATOM 972 O GLY A 70 -1.487 35.964 1.893 1.00 0.00 O ATOM 0 H GLY A 70 -2.492 32.614 0.660 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -4.004 34.718 2.021 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -2.714 33.944 2.921 1.00 0.00 H new ATOM 976 N SER A 71 -1.797 34.889 -0.076 1.00 0.00 N ATOM 977 CA SER A 71 -0.876 35.653 -0.911 1.00 0.00 C ATOM 978 C SER A 71 0.591 35.432 -0.505 1.00 0.00 C ATOM 979 O SER A 71 0.952 35.738 0.630 1.00 0.00 O ATOM 980 CB SER A 71 -1.226 37.149 -0.913 1.00 0.00 C ATOM 981 OG SER A 71 -2.599 37.343 -1.182 1.00 0.00 O ATOM 0 H SER A 71 -2.267 34.150 -0.599 1.00 0.00 H new ATOM 0 HA SER A 71 -0.992 35.280 -1.928 1.00 0.00 H new ATOM 0 HB2 SER A 71 -0.975 37.587 0.053 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.627 37.666 -1.663 1.00 0.00 H new ATOM 0 HG SER A 71 -2.801 38.302 -1.177 1.00 0.00 H new ATOM 987 N PRO A 72 1.461 34.922 -1.395 1.00 0.00 N ATOM 988 CA PRO A 72 1.197 34.527 -2.774 1.00 0.00 C ATOM 989 C PRO A 72 0.444 33.192 -2.869 1.00 0.00 C ATOM 990 O PRO A 72 0.055 32.608 -1.856 1.00 0.00 O ATOM 991 CB PRO A 72 2.587 34.453 -3.419 1.00 0.00 C ATOM 992 CG PRO A 72 3.493 34.014 -2.271 1.00 0.00 C ATOM 993 CD PRO A 72 2.863 34.709 -1.063 1.00 0.00 C ATOM 0 HA PRO A 72 0.543 35.236 -3.282 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.609 33.739 -4.243 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.893 35.417 -3.825 1.00 0.00 H new ATOM 0 HG2 PRO A 72 3.504 32.930 -2.155 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.525 34.328 -2.426 1.00 0.00 H new ATOM 0 HD2 PRO A 72 2.961 34.095 -0.167 1.00 0.00 H new ATOM 0 HD3 PRO A 72 3.361 35.656 -0.857 1.00 0.00 H new ATOM 1001 N GLY A 73 0.234 32.724 -4.106 1.00 0.00 N ATOM 1002 CA GLY A 73 -0.441 31.478 -4.437 1.00 0.00 C ATOM 1003 C GLY A 73 0.092 30.990 -5.780 1.00 0.00 C ATOM 1004 O GLY A 73 -0.642 30.966 -6.767 1.00 0.00 O ATOM 0 H GLY A 73 0.546 33.231 -4.934 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -0.262 30.732 -3.663 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -1.519 31.632 -4.489 1.00 0.00 H new ATOM 1008 N ALA A 74 1.375 30.605 -5.810 1.00 0.00 N ATOM 1009 CA ALA A 74 2.044 30.138 -7.013 1.00 0.00 C ATOM 1010 C ALA A 74 1.958 28.622 -7.166 1.00 0.00 C ATOM 1011 O ALA A 74 1.417 28.151 -8.162 1.00 0.00 O ATOM 1012 CB ALA A 74 3.497 30.632 -7.026 1.00 0.00 C ATOM 0 H ALA A 74 1.977 30.612 -4.986 1.00 0.00 H new ATOM 0 HA ALA A 74 1.528 30.558 -7.876 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.993 30.279 -7.930 1.00 0.00 H new ATOM 0 HB2 ALA A 74 3.511 31.722 -7.006 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.020 30.247 -6.151 1.00 0.00 H new ATOM 1018 N ASP A 75 2.472 27.876 -6.180 1.00 0.00 N ATOM 1019 CA ASP A 75 2.521 26.419 -6.160 1.00 0.00 C ATOM 1020 C ASP A 75 1.133 25.761 -6.207 1.00 0.00 C ATOM 1021 O ASP A 75 0.326 25.946 -5.294 1.00 0.00 O ATOM 1022 CB ASP A 75 3.308 25.956 -4.921 1.00 0.00 C ATOM 1023 CG ASP A 75 4.638 26.688 -4.732 1.00 0.00 C ATOM 1024 OD1 ASP A 75 5.492 26.571 -5.634 1.00 0.00 O ATOM 1025 OD2 ASP A 75 4.781 27.353 -3.683 1.00 0.00 O ATOM 0 H ASP A 75 2.880 28.293 -5.343 1.00 0.00 H new ATOM 0 HA ASP A 75 3.029 26.096 -7.069 1.00 0.00 H new ATOM 0 HB2 ASP A 75 2.692 26.103 -4.034 1.00 0.00 H new ATOM 0 HB3 ASP A 75 3.500 24.886 -5.002 1.00 0.00 H new ATOM 1030 N ARG A 76 0.862 24.981 -7.268 1.00 0.00 N ATOM 1031 CA ARG A 76 -0.402 24.278 -7.442 1.00 0.00 C ATOM 1032 C ARG A 76 -0.220 22.857 -7.974 1.00 0.00 C ATOM 1033 O ARG A 76 0.295 22.672 -9.075 1.00 0.00 O ATOM 1034 CB ARG A 76 -1.364 25.030 -8.379 1.00 0.00 C ATOM 1035 CG ARG A 76 -1.651 26.490 -8.003 1.00 0.00 C ATOM 1036 CD ARG A 76 -2.952 26.960 -8.672 1.00 0.00 C ATOM 1037 NE ARG A 76 -3.001 28.418 -8.868 1.00 0.00 N ATOM 1038 CZ ARG A 76 -3.129 29.353 -7.911 1.00 0.00 C ATOM 1039 NH1 ARG A 76 -3.170 29.023 -6.612 1.00 0.00 N ATOM 1040 NH2 ARG A 76 -3.216 30.644 -8.262 1.00 0.00 N ATOM 0 H ARG A 76 1.524 24.826 -8.028 1.00 0.00 H new ATOM 0 HA ARG A 76 -0.834 24.229 -6.442 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.951 25.008 -9.388 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -2.310 24.489 -8.410 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -1.734 26.586 -6.920 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -0.822 27.124 -8.316 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.058 26.465 -9.637 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.801 26.652 -8.061 1.00 0.00 H new ATOM 0 HE ARG A 76 -2.931 28.753 -9.829 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -3.103 28.044 -6.332 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.268 29.751 -5.904 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -3.185 30.908 -9.247 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -3.313 31.362 -7.544 1.00 0.00 H new ATOM 1054 N VAL A 77 -0.642 21.854 -7.187 1.00 0.00 N ATOM 1055 CA VAL A 77 -0.590 20.458 -7.598 1.00 0.00 C ATOM 1056 C VAL A 77 -1.838 20.281 -8.463 1.00 0.00 C ATOM 1057 O VAL A 77 -2.860 20.923 -8.235 1.00 0.00 O ATOM 1058 CB VAL A 77 -0.571 19.447 -6.439 1.00 0.00 C ATOM 1059 CG1 VAL A 77 0.780 19.397 -5.717 1.00 0.00 C ATOM 1060 CG2 VAL A 77 -1.680 19.684 -5.412 1.00 0.00 C ATOM 0 H VAL A 77 -1.026 21.996 -6.253 1.00 0.00 H new ATOM 0 HA VAL A 77 0.344 20.252 -8.121 1.00 0.00 H new ATOM 0 HB VAL A 77 -0.749 18.485 -6.919 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.734 18.667 -4.909 1.00 0.00 H new ATOM 0 HG12 VAL A 77 1.559 19.109 -6.423 1.00 0.00 H new ATOM 0 HG13 VAL A 77 1.009 20.380 -5.305 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.610 18.937 -4.622 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.570 20.679 -4.981 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.651 19.605 -5.901 1.00 0.00 H new ATOM 1070 N VAL A 78 -1.782 19.411 -9.461 1.00 0.00 N ATOM 1071 CA VAL A 78 -2.910 19.213 -10.356 1.00 0.00 C ATOM 1072 C VAL A 78 -3.113 17.700 -10.424 1.00 0.00 C ATOM 1073 O VAL A 78 -2.284 16.968 -10.962 1.00 0.00 O ATOM 1074 CB VAL A 78 -2.637 20.027 -11.633 1.00 0.00 C ATOM 1075 CG1 VAL A 78 -3.639 19.721 -12.747 1.00 0.00 C ATOM 1076 CG2 VAL A 78 -2.659 21.540 -11.271 1.00 0.00 C ATOM 0 H VAL A 78 -0.968 18.832 -9.670 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.883 19.598 -10.050 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.657 19.745 -12.019 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.401 20.322 -13.625 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.584 18.663 -13.005 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.646 19.960 -12.406 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.467 22.131 -12.166 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.636 21.803 -10.865 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.890 21.747 -10.527 1.00 0.00 H new ATOM 1086 N ILE A 79 -4.242 17.257 -9.846 1.00 0.00 N ATOM 1087 CA ILE A 79 -4.638 15.864 -9.706 1.00 0.00 C ATOM 1088 C ILE A 79 -5.677 15.408 -10.732 1.00 0.00 C ATOM 1089 O ILE A 79 -6.103 16.177 -11.589 1.00 0.00 O ATOM 1090 CB ILE A 79 -5.011 15.582 -8.221 1.00 0.00 C ATOM 1091 CG1 ILE A 79 -6.494 15.716 -7.858 1.00 0.00 C ATOM 1092 CG2 ILE A 79 -4.276 16.531 -7.258 1.00 0.00 C ATOM 1093 CD1 ILE A 79 -6.880 14.871 -6.644 1.00 0.00 C ATOM 0 H ILE A 79 -4.929 17.898 -9.448 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.784 15.233 -9.953 1.00 0.00 H new ATOM 0 HB ILE A 79 -4.716 14.538 -8.113 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -6.722 16.762 -7.655 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -7.102 15.417 -8.712 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -4.563 16.302 -6.232 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.200 16.402 -7.371 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.544 17.562 -7.488 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -7.941 15.003 -6.431 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -6.680 13.820 -6.854 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -6.294 15.186 -5.780 1.00 0.00 H new ATOM 1105 N ASN A 80 -6.065 14.131 -10.622 1.00 0.00 N ATOM 1106 CA ASN A 80 -7.030 13.416 -11.441 1.00 0.00 C ATOM 1107 C ASN A 80 -8.343 13.322 -10.675 1.00 0.00 C ATOM 1108 O ASN A 80 -8.354 13.365 -9.444 1.00 0.00 O ATOM 1109 CB ASN A 80 -6.513 12.006 -11.763 1.00 0.00 C ATOM 1110 CG ASN A 80 -5.140 12.020 -12.430 1.00 0.00 C ATOM 1111 OD1 ASN A 80 -4.263 11.227 -12.099 1.00 0.00 O ATOM 1112 ND2 ASN A 80 -4.942 12.926 -13.384 1.00 0.00 N ATOM 0 H ASN A 80 -5.675 13.530 -9.896 1.00 0.00 H new ATOM 0 HA ASN A 80 -7.181 13.950 -12.379 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -6.459 11.424 -10.843 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -7.225 11.503 -12.417 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -4.042 12.975 -13.862 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -5.690 13.572 -13.637 1.00 0.00 H new ATOM 1119 N THR A 81 -9.450 13.179 -11.409 1.00 0.00 N ATOM 1120 CA THR A 81 -10.775 13.112 -10.815 1.00 0.00 C ATOM 1121 C THR A 81 -11.067 11.930 -9.911 1.00 0.00 C ATOM 1122 O THR A 81 -12.112 11.927 -9.259 1.00 0.00 O ATOM 1123 CB THR A 81 -11.861 13.398 -11.858 1.00 0.00 C ATOM 1124 OG1 THR A 81 -13.114 13.601 -11.242 1.00 0.00 O ATOM 1125 CG2 THR A 81 -11.968 12.218 -12.816 1.00 0.00 C ATOM 0 H THR A 81 -9.447 13.107 -12.426 1.00 0.00 H new ATOM 0 HA THR A 81 -10.790 13.921 -10.085 1.00 0.00 H new ATOM 0 HB THR A 81 -11.584 14.303 -12.399 1.00 0.00 H new ATOM 0 HG1 THR A 81 -13.252 14.559 -11.088 1.00 0.00 H new ATOM 0 HG21 THR A 81 -12.740 12.421 -13.558 1.00 0.00 H new ATOM 0 HG22 THR A 81 -11.012 12.069 -13.318 1.00 0.00 H new ATOM 0 HG23 THR A 81 -12.228 11.319 -12.258 1.00 0.00 H new ATOM 1133 N ASN A 82 -10.176 10.940 -9.843 1.00 0.00 N ATOM 1134 CA ASN A 82 -10.420 9.838 -8.949 1.00 0.00 C ATOM 1135 C ASN A 82 -9.887 10.368 -7.618 1.00 0.00 C ATOM 1136 O ASN A 82 -10.655 10.835 -6.782 1.00 0.00 O ATOM 1137 CB ASN A 82 -9.734 8.563 -9.462 1.00 0.00 C ATOM 1138 CG ASN A 82 -10.403 8.054 -10.737 1.00 0.00 C ATOM 1139 OD1 ASN A 82 -9.831 8.144 -11.821 1.00 0.00 O ATOM 1140 ND2 ASN A 82 -11.617 7.514 -10.606 1.00 0.00 N ATOM 0 H ASN A 82 -9.311 10.888 -10.381 1.00 0.00 H new ATOM 0 HA ASN A 82 -11.463 9.533 -8.858 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -8.681 8.766 -9.656 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -9.773 7.791 -8.694 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -12.107 7.156 -11.426 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -12.054 7.460 -9.686 1.00 0.00 H new ATOM 1147 N CYS A 83 -8.564 10.281 -7.479 1.00 0.00 N ATOM 1148 CA CYS A 83 -7.716 10.669 -6.348 1.00 0.00 C ATOM 1149 C CYS A 83 -6.212 10.778 -6.670 1.00 0.00 C ATOM 1150 O CYS A 83 -5.457 11.245 -5.819 1.00 0.00 O ATOM 1151 CB CYS A 83 -7.956 9.790 -5.105 1.00 0.00 C ATOM 1152 SG CYS A 83 -9.411 10.166 -4.076 1.00 0.00 S ATOM 0 H CYS A 83 -7.999 9.896 -8.236 1.00 0.00 H new ATOM 0 HA CYS A 83 -8.037 11.685 -6.117 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -8.037 8.755 -5.436 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -7.071 9.854 -4.472 1.00 0.00 H new ATOM 1157 N GLU A 84 -5.757 10.381 -7.870 1.00 0.00 N ATOM 1158 CA GLU A 84 -4.338 10.356 -8.224 1.00 0.00 C ATOM 1159 C GLU A 84 -3.711 11.690 -8.618 1.00 0.00 C ATOM 1160 O GLU A 84 -4.266 12.417 -9.425 1.00 0.00 O ATOM 1161 CB GLU A 84 -4.174 9.354 -9.376 1.00 0.00 C ATOM 1162 CG GLU A 84 -2.717 9.127 -9.800 1.00 0.00 C ATOM 1163 CD GLU A 84 -1.840 8.663 -8.641 1.00 0.00 C ATOM 1164 OE1 GLU A 84 -2.027 7.502 -8.213 1.00 0.00 O ATOM 1165 OE2 GLU A 84 -0.999 9.473 -8.192 1.00 0.00 O ATOM 0 H GLU A 84 -6.371 10.068 -8.622 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.803 10.073 -7.317 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.609 8.400 -9.079 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.741 9.709 -10.236 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.685 8.384 -10.597 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.312 10.052 -10.211 1.00 0.00 H new ATOM 1172 N TYR A 85 -2.538 12.001 -8.053 1.00 0.00 N ATOM 1173 CA TYR A 85 -1.782 13.214 -8.344 1.00 0.00 C ATOM 1174 C TYR A 85 -1.128 13.020 -9.719 1.00 0.00 C ATOM 1175 O TYR A 85 -0.377 12.063 -9.911 1.00 0.00 O ATOM 1176 CB TYR A 85 -0.758 13.441 -7.225 1.00 0.00 C ATOM 1177 CG TYR A 85 0.363 14.404 -7.565 1.00 0.00 C ATOM 1178 CD1 TYR A 85 0.078 15.717 -7.981 1.00 0.00 C ATOM 1179 CD2 TYR A 85 1.699 13.982 -7.457 1.00 0.00 C ATOM 1180 CE1 TYR A 85 1.128 16.600 -8.287 1.00 0.00 C ATOM 1181 CE2 TYR A 85 2.747 14.858 -7.781 1.00 0.00 C ATOM 1182 CZ TYR A 85 2.464 16.167 -8.195 1.00 0.00 C ATOM 1183 OH TYR A 85 3.489 17.013 -8.497 1.00 0.00 O ATOM 0 H TYR A 85 -2.083 11.400 -7.366 1.00 0.00 H new ATOM 0 HA TYR A 85 -2.413 14.102 -8.381 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -1.282 13.813 -6.345 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.321 12.480 -6.953 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -0.947 16.047 -8.065 1.00 0.00 H new ATOM 0 HD2 TYR A 85 1.921 12.979 -7.123 1.00 0.00 H new ATOM 0 HE1 TYR A 85 0.909 17.612 -8.593 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.771 14.523 -7.711 1.00 0.00 H new ATOM 0 HH TYR A 85 4.190 16.933 -7.817 1.00 0.00 H new ATOM 1193 N ALA A 86 -1.398 13.928 -10.670 1.00 0.00 N ATOM 1194 CA ALA A 86 -0.881 13.855 -12.034 1.00 0.00 C ATOM 1195 C ALA A 86 0.508 14.482 -12.134 1.00 0.00 C ATOM 1196 O ALA A 86 1.467 13.815 -12.517 1.00 0.00 O ATOM 1197 CB ALA A 86 -1.880 14.510 -12.994 1.00 0.00 C ATOM 0 H ALA A 86 -1.990 14.742 -10.505 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.767 12.809 -12.319 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -1.495 14.456 -14.012 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.834 13.987 -12.939 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.022 15.554 -12.715 1.00 0.00 H new ATOM 1203 N GLY A 87 0.599 15.769 -11.791 1.00 0.00 N ATOM 1204 CA GLY A 87 1.827 16.543 -11.820 1.00 0.00 C ATOM 1205 C GLY A 87 1.532 17.942 -11.291 1.00 0.00 C ATOM 1206 O GLY A 87 0.367 18.332 -11.202 1.00 0.00 O ATOM 0 H GLY A 87 -0.207 16.310 -11.477 1.00 0.00 H new ATOM 0 HA2 GLY A 87 2.592 16.062 -11.211 1.00 0.00 H new ATOM 0 HA3 GLY A 87 2.216 16.597 -12.837 1.00 0.00 H new ATOM 1210 N ALA A 88 2.582 18.691 -10.939 1.00 0.00 N ATOM 1211 CA ALA A 88 2.464 20.036 -10.395 1.00 0.00 C ATOM 1212 C ALA A 88 3.003 21.094 -11.350 1.00 0.00 C ATOM 1213 O ALA A 88 3.802 20.815 -12.243 1.00 0.00 O ATOM 1214 CB ALA A 88 3.196 20.098 -9.055 1.00 0.00 C ATOM 0 H ALA A 88 3.546 18.371 -11.027 1.00 0.00 H new ATOM 0 HA ALA A 88 1.406 20.255 -10.252 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.112 21.103 -8.641 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.751 19.382 -8.364 1.00 0.00 H new ATOM 0 HB3 ALA A 88 4.248 19.853 -9.203 1.00 0.00 H new ATOM 1220 N ILE A 89 2.529 22.322 -11.119 1.00 0.00 N ATOM 1221 CA ILE A 89 2.855 23.541 -11.837 1.00 0.00 C ATOM 1222 C ILE A 89 2.961 24.661 -10.789 1.00 0.00 C ATOM 1223 O ILE A 89 2.446 24.507 -9.683 1.00 0.00 O ATOM 1224 CB ILE A 89 1.792 23.800 -12.925 1.00 0.00 C ATOM 1225 CG1 ILE A 89 0.363 23.752 -12.353 1.00 0.00 C ATOM 1226 CG2 ILE A 89 1.939 22.794 -14.074 1.00 0.00 C ATOM 1227 CD1 ILE A 89 -0.695 24.256 -13.340 1.00 0.00 C ATOM 0 H ILE A 89 1.859 22.494 -10.369 1.00 0.00 H new ATOM 0 HA ILE A 89 3.805 23.477 -12.367 1.00 0.00 H new ATOM 0 HB ILE A 89 1.960 24.806 -13.310 1.00 0.00 H new ATOM 0 HG12 ILE A 89 0.126 22.727 -12.067 1.00 0.00 H new ATOM 0 HG13 ILE A 89 0.321 24.354 -11.445 1.00 0.00 H new ATOM 0 HG21 ILE A 89 1.181 22.993 -14.831 1.00 0.00 H new ATOM 0 HG22 ILE A 89 2.930 22.891 -14.518 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.811 21.782 -13.690 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.681 24.197 -12.878 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -0.480 25.291 -13.607 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -0.678 23.639 -14.238 1.00 0.00 H new ATOM 1239 N THR A 90 3.628 25.785 -11.100 1.00 0.00 N ATOM 1240 CA THR A 90 3.789 26.884 -10.151 1.00 0.00 C ATOM 1241 C THR A 90 4.052 28.243 -10.810 1.00 0.00 C ATOM 1242 O THR A 90 4.594 28.292 -11.911 1.00 0.00 O ATOM 1243 CB THR A 90 4.938 26.549 -9.183 1.00 0.00 C ATOM 1244 OG1 THR A 90 5.078 27.578 -8.225 1.00 0.00 O ATOM 1245 CG2 THR A 90 6.285 26.357 -9.897 1.00 0.00 C ATOM 0 H THR A 90 4.064 25.951 -12.007 1.00 0.00 H new ATOM 0 HA THR A 90 2.841 26.982 -9.622 1.00 0.00 H new ATOM 0 HB THR A 90 4.674 25.605 -8.705 1.00 0.00 H new ATOM 0 HG1 THR A 90 5.218 27.183 -7.339 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.056 26.123 -9.163 1.00 0.00 H new ATOM 0 HG22 THR A 90 6.204 25.538 -10.612 1.00 0.00 H new ATOM 0 HG23 THR A 90 6.552 27.273 -10.424 1.00 0.00 H new ATOM 1253 N HIS A 91 3.653 29.342 -10.137 1.00 0.00 N ATOM 1254 CA HIS A 91 3.902 30.711 -10.607 1.00 0.00 C ATOM 1255 C HIS A 91 5.314 31.187 -10.206 1.00 0.00 C ATOM 1256 O HIS A 91 5.481 32.354 -9.852 1.00 0.00 O ATOM 1257 CB HIS A 91 2.867 31.782 -10.178 1.00 0.00 C ATOM 1258 CG HIS A 91 1.405 31.509 -10.385 1.00 0.00 C ATOM 1259 ND1 HIS A 91 0.443 32.495 -10.209 1.00 0.00 N ATOM 1260 CD2 HIS A 91 0.707 30.388 -10.740 1.00 0.00 C ATOM 1261 CE1 HIS A 91 -0.752 31.934 -10.458 1.00 0.00 C ATOM 1262 NE2 HIS A 91 -0.659 30.647 -10.784 1.00 0.00 N ATOM 0 H HIS A 91 3.149 29.300 -9.251 1.00 0.00 H new ATOM 0 HA HIS A 91 3.804 30.626 -11.689 1.00 0.00 H new ATOM 0 HB2 HIS A 91 3.018 31.978 -9.116 1.00 0.00 H new ATOM 0 HB3 HIS A 91 3.108 32.703 -10.709 1.00 0.00 H new ATOM 0 HD2 HIS A 91 1.156 29.430 -10.957 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -1.688 32.470 -10.400 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -1.414 30.001 -11.013 1.00 0.00 H new ATOM 1270 N THR A 92 6.339 30.320 -10.251 1.00 0.00 N ATOM 1271 CA THR A 92 7.700 30.697 -9.872 1.00 0.00 C ATOM 1272 C THR A 92 8.345 31.494 -11.003 1.00 0.00 C ATOM 1273 O THR A 92 8.515 32.709 -10.895 1.00 0.00 O ATOM 1274 CB THR A 92 8.523 29.465 -9.460 1.00 0.00 C ATOM 1275 OG1 THR A 92 7.898 28.830 -8.363 1.00 0.00 O ATOM 1276 CG2 THR A 92 9.945 29.875 -9.053 1.00 0.00 C ATOM 0 H THR A 92 6.244 29.349 -10.549 1.00 0.00 H new ATOM 0 HA THR A 92 7.668 31.341 -8.993 1.00 0.00 H new ATOM 0 HB THR A 92 8.579 28.785 -10.310 1.00 0.00 H new ATOM 0 HG1 THR A 92 6.983 28.578 -8.608 1.00 0.00 H new ATOM 0 HG21 THR A 92 10.511 28.989 -8.765 1.00 0.00 H new ATOM 0 HG22 THR A 92 10.438 30.363 -9.894 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.898 30.565 -8.210 1.00 0.00 H new ATOM 1284 N GLY A 93 8.701 30.794 -12.081 1.00 0.00 N ATOM 1285 CA GLY A 93 9.309 31.368 -13.273 1.00 0.00 C ATOM 1286 C GLY A 93 8.325 32.242 -14.059 1.00 0.00 C ATOM 1287 O GLY A 93 8.730 32.924 -14.998 1.00 0.00 O ATOM 0 H GLY A 93 8.569 29.785 -12.147 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.174 31.965 -12.986 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.674 30.566 -13.915 1.00 0.00 H new ATOM 1291 N ALA A 94 7.038 32.215 -13.684 1.00 0.00 N ATOM 1292 CA ALA A 94 5.966 32.985 -14.289 1.00 0.00 C ATOM 1293 C ALA A 94 6.188 34.488 -14.128 1.00 0.00 C ATOM 1294 O ALA A 94 6.868 34.926 -13.201 1.00 0.00 O ATOM 1295 CB ALA A 94 4.668 32.608 -13.576 1.00 0.00 C ATOM 0 H ALA A 94 6.712 31.627 -12.917 1.00 0.00 H new ATOM 0 HA ALA A 94 5.929 32.762 -15.355 1.00 0.00 H new ATOM 0 HB1 ALA A 94 3.840 33.170 -14.007 1.00 0.00 H new ATOM 0 HB2 ALA A 94 4.484 31.540 -13.696 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.754 32.844 -12.515 1.00 0.00 H new ATOM 1301 N SER A 95 5.598 35.272 -15.039 1.00 0.00 N ATOM 1302 CA SER A 95 5.678 36.725 -15.024 1.00 0.00 C ATOM 1303 C SER A 95 4.888 37.247 -13.823 1.00 0.00 C ATOM 1304 O SER A 95 5.399 38.052 -13.045 1.00 0.00 O ATOM 1305 CB SER A 95 5.117 37.290 -16.333 1.00 0.00 C ATOM 1306 OG SER A 95 5.849 36.793 -17.432 1.00 0.00 O ATOM 0 H SER A 95 5.047 34.903 -15.814 1.00 0.00 H new ATOM 0 HA SER A 95 6.716 37.044 -14.936 1.00 0.00 H new ATOM 0 HB2 SER A 95 4.066 37.018 -16.434 1.00 0.00 H new ATOM 0 HB3 SER A 95 5.165 38.379 -16.318 1.00 0.00 H new ATOM 0 HG SER A 95 5.481 37.159 -18.263 1.00 0.00 H new ATOM 1312 N GLY A 96 3.643 36.774 -13.680 1.00 0.00 N ATOM 1313 CA GLY A 96 2.745 37.136 -12.597 1.00 0.00 C ATOM 1314 C GLY A 96 1.736 36.008 -12.397 1.00 0.00 C ATOM 1315 O GLY A 96 1.939 35.141 -11.549 1.00 0.00 O ATOM 0 H GLY A 96 3.230 36.112 -14.337 1.00 0.00 H new ATOM 0 HA2 GLY A 96 3.309 37.305 -11.680 1.00 0.00 H new ATOM 0 HA3 GLY A 96 2.229 38.067 -12.830 1.00 0.00 H new ATOM 1319 N ASN A 97 0.656 36.024 -13.191 1.00 0.00 N ATOM 1320 CA ASN A 97 -0.407 35.029 -13.145 1.00 0.00 C ATOM 1321 C ASN A 97 -0.117 33.837 -14.072 1.00 0.00 C ATOM 1322 O ASN A 97 -0.920 32.907 -14.141 1.00 0.00 O ATOM 1323 CB ASN A 97 -1.734 35.721 -13.502 1.00 0.00 C ATOM 1324 CG ASN A 97 -2.983 34.917 -13.132 1.00 0.00 C ATOM 1325 OD1 ASN A 97 -2.923 33.962 -12.358 1.00 0.00 O ATOM 1326 ND2 ASN A 97 -4.131 35.316 -13.684 1.00 0.00 N ATOM 0 H ASN A 97 0.501 36.746 -13.894 1.00 0.00 H new ATOM 0 HA ASN A 97 -0.472 34.614 -12.139 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -1.774 36.686 -12.997 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.749 35.921 -14.573 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -4.998 34.825 -13.469 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -4.141 36.112 -14.321 1.00 0.00 H new ATOM 1333 N ASN A 98 1.025 33.841 -14.778 1.00 0.00 N ATOM 1334 CA ASN A 98 1.425 32.768 -15.685 1.00 0.00 C ATOM 1335 C ASN A 98 1.822 31.515 -14.895 1.00 0.00 C ATOM 1336 O ASN A 98 1.624 31.445 -13.682 1.00 0.00 O ATOM 1337 CB ASN A 98 2.543 33.261 -16.623 1.00 0.00 C ATOM 1338 CG ASN A 98 2.151 34.472 -17.471 1.00 0.00 C ATOM 1339 OD1 ASN A 98 0.989 34.869 -17.518 1.00 0.00 O ATOM 1340 ND2 ASN A 98 3.137 35.057 -18.155 1.00 0.00 N ATOM 0 H ASN A 98 1.702 34.603 -14.730 1.00 0.00 H new ATOM 0 HA ASN A 98 0.579 32.485 -16.312 1.00 0.00 H new ATOM 0 HB2 ASN A 98 3.419 33.516 -16.026 1.00 0.00 H new ATOM 0 HB3 ASN A 98 2.835 32.445 -17.285 1.00 0.00 H new ATOM 0 HD21 ASN A 98 2.939 35.865 -18.745 1.00 0.00 H new ATOM 0 HD22 ASN A 98 4.088 34.696 -18.088 1.00 0.00 H new ATOM 1347 N PHE A 99 2.394 30.521 -15.587 1.00 0.00 N ATOM 1348 CA PHE A 99 2.799 29.261 -14.986 1.00 0.00 C ATOM 1349 C PHE A 99 4.033 28.645 -15.646 1.00 0.00 C ATOM 1350 O PHE A 99 4.397 28.978 -16.773 1.00 0.00 O ATOM 1351 CB PHE A 99 1.637 28.267 -15.157 1.00 0.00 C ATOM 1352 CG PHE A 99 0.779 28.072 -13.932 1.00 0.00 C ATOM 1353 CD1 PHE A 99 1.307 27.345 -12.856 1.00 0.00 C ATOM 1354 CD2 PHE A 99 -0.527 28.590 -13.857 1.00 0.00 C ATOM 1355 CE1 PHE A 99 0.538 27.127 -11.703 1.00 0.00 C ATOM 1356 CE2 PHE A 99 -1.299 28.373 -12.704 1.00 0.00 C ATOM 1357 CZ PHE A 99 -0.762 27.644 -11.630 1.00 0.00 C ATOM 0 H PHE A 99 2.587 30.577 -16.587 1.00 0.00 H new ATOM 0 HA PHE A 99 3.046 29.460 -13.943 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.003 28.609 -15.975 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.046 27.301 -15.453 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.311 26.951 -12.915 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -0.935 29.153 -14.684 1.00 0.00 H new ATOM 0 HE1 PHE A 99 0.946 26.564 -10.877 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -2.303 28.766 -12.643 1.00 0.00 H new ATOM 0 HZ PHE A 99 -1.355 27.481 -10.742 1.00 0.00 H new ATOM 1367 N VAL A 100 4.658 27.733 -14.890 1.00 0.00 N ATOM 1368 CA VAL A 100 5.816 26.927 -15.247 1.00 0.00 C ATOM 1369 C VAL A 100 5.589 25.549 -14.625 1.00 0.00 C ATOM 1370 O VAL A 100 4.755 25.384 -13.737 1.00 0.00 O ATOM 1371 CB VAL A 100 7.173 27.533 -14.847 1.00 0.00 C ATOM 1372 CG1 VAL A 100 7.498 28.744 -15.719 1.00 0.00 C ATOM 1373 CG2 VAL A 100 7.280 27.885 -13.365 1.00 0.00 C ATOM 0 H VAL A 100 4.337 27.530 -13.943 1.00 0.00 H new ATOM 0 HA VAL A 100 5.890 26.872 -16.333 1.00 0.00 H new ATOM 0 HB VAL A 100 7.915 26.753 -15.020 1.00 0.00 H new ATOM 0 HG11 VAL A 100 8.461 29.159 -15.421 1.00 0.00 H new ATOM 0 HG12 VAL A 100 7.542 28.438 -16.764 1.00 0.00 H new ATOM 0 HG13 VAL A 100 6.723 29.500 -15.595 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.264 28.306 -13.161 1.00 0.00 H new ATOM 0 HG22 VAL A 100 6.512 28.615 -13.108 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.140 26.985 -12.766 1.00 0.00 H new ATOM 1383 N GLY A 101 6.334 24.561 -15.113 1.00 0.00 N ATOM 1384 CA GLY A 101 6.246 23.177 -14.669 1.00 0.00 C ATOM 1385 C GLY A 101 7.065 22.862 -13.416 1.00 0.00 C ATOM 1386 O GLY A 101 8.281 23.047 -13.421 1.00 0.00 O ATOM 0 H GLY A 101 7.030 24.706 -15.844 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.201 22.936 -14.475 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.578 22.527 -15.478 1.00 0.00 H new ATOM 1390 N CYS A 102 6.395 22.380 -12.356 1.00 0.00 N ATOM 1391 CA CYS A 102 7.012 21.994 -11.088 1.00 0.00 C ATOM 1392 C CYS A 102 7.305 20.498 -11.102 1.00 0.00 C ATOM 1393 O CYS A 102 6.714 19.743 -11.865 1.00 0.00 O ATOM 1394 CB CYS A 102 6.162 22.418 -9.876 1.00 0.00 C ATOM 1395 SG CYS A 102 6.323 21.466 -8.333 1.00 0.00 S ATOM 0 H CYS A 102 5.384 22.247 -12.363 1.00 0.00 H new ATOM 0 HA CYS A 102 7.956 22.528 -10.980 1.00 0.00 H new ATOM 0 HB2 CYS A 102 6.399 23.458 -9.651 1.00 0.00 H new ATOM 0 HB3 CYS A 102 5.115 22.388 -10.177 1.00 0.00 H new ATOM 1400 N SER A 103 8.226 20.099 -10.222 1.00 0.00 N ATOM 1401 CA SER A 103 8.716 18.738 -10.037 1.00 0.00 C ATOM 1402 C SER A 103 9.360 18.206 -11.321 1.00 0.00 C ATOM 1403 O SER A 103 9.105 17.076 -11.734 1.00 0.00 O ATOM 1404 CB SER A 103 7.632 17.819 -9.448 1.00 0.00 C ATOM 1405 OG SER A 103 6.625 17.474 -10.377 1.00 0.00 O ATOM 0 H SER A 103 8.673 20.758 -9.584 1.00 0.00 H new ATOM 0 HA SER A 103 9.511 18.753 -9.291 1.00 0.00 H new ATOM 0 HB2 SER A 103 8.101 16.908 -9.076 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.173 18.313 -8.592 1.00 0.00 H new ATOM 0 HG SER A 103 6.565 18.168 -11.067 1.00 0.00 H new ATOM 1411 N GLY A 104 10.195 19.045 -11.948 1.00 0.00 N ATOM 1412 CA GLY A 104 10.912 18.725 -13.171 1.00 0.00 C ATOM 1413 C GLY A 104 9.962 18.488 -14.344 1.00 0.00 C ATOM 1414 O GLY A 104 10.147 17.534 -15.098 1.00 0.00 O ATOM 0 H GLY A 104 10.389 19.985 -11.604 1.00 0.00 H new ATOM 0 HA2 GLY A 104 11.594 19.539 -13.415 1.00 0.00 H new ATOM 0 HA3 GLY A 104 11.521 17.835 -13.012 1.00 0.00 H new ATOM 1418 N THR A 105 8.949 19.354 -14.488 1.00 0.00 N ATOM 1419 CA THR A 105 7.955 19.296 -15.552 1.00 0.00 C ATOM 1420 C THR A 105 8.250 20.385 -16.580 1.00 0.00 C ATOM 1421 O THR A 105 8.792 21.438 -16.244 1.00 0.00 O ATOM 1422 CB THR A 105 6.553 19.437 -14.937 1.00 0.00 C ATOM 1423 OG1 THR A 105 6.266 18.273 -14.190 1.00 0.00 O ATOM 1424 CG2 THR A 105 5.429 19.647 -15.952 1.00 0.00 C ATOM 0 H THR A 105 8.801 20.133 -13.846 1.00 0.00 H new ATOM 0 HA THR A 105 7.996 18.338 -16.070 1.00 0.00 H new ATOM 0 HB THR A 105 6.583 20.335 -14.320 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.345 18.471 -13.233 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.477 19.736 -15.428 1.00 0.00 H new ATOM 0 HG22 THR A 105 5.617 20.558 -16.520 1.00 0.00 H new ATOM 0 HG23 THR A 105 5.390 18.797 -16.633 1.00 0.00 H new ATOM 1432 N ASN A 106 7.897 20.110 -17.841 1.00 0.00 N ATOM 1433 CA ASN A 106 8.074 21.019 -18.961 1.00 0.00 C ATOM 1434 C ASN A 106 7.045 20.655 -20.039 1.00 0.00 C ATOM 1435 O ASN A 106 7.404 20.684 -21.236 1.00 0.00 O ATOM 1436 CB ASN A 106 9.536 20.966 -19.445 1.00 0.00 C ATOM 1437 CG ASN A 106 9.978 22.266 -20.119 1.00 0.00 C ATOM 1438 OD1 ASN A 106 10.703 23.058 -19.520 1.00 0.00 O ATOM 1439 ND2 ASN A 106 9.559 22.490 -21.367 1.00 0.00 N ATOM 1440 OXT ASN A 106 5.921 20.276 -19.640 1.00 0.00 O ATOM 0 H ASN A 106 7.470 19.224 -18.109 1.00 0.00 H new ATOM 0 HA ASN A 106 7.893 22.056 -18.677 1.00 0.00 H new ATOM 0 HB2 ASN A 106 10.189 20.760 -18.597 1.00 0.00 H new ATOM 0 HB3 ASN A 106 9.654 20.139 -20.146 1.00 0.00 H new ATOM 0 HD21 ASN A 106 9.840 23.341 -21.854 1.00 0.00 H new ATOM 0 HD22 ASN A 106 8.958 21.810 -21.833 1.00 0.00 H new