USER MOD reduce.3.24.130724 H: found=0, std=0, add=831, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 826 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 3 THR OG1 : rot 86:sc= 1.02 USER MOD Set 1.2: A 9 TYR OH : rot -123:sc= 1.17 USER MOD Set 1.3: A 28 CYS SG : rot -16:sc= 0.547 USER MOD Set 1.4: A 31 MET CE :methyl -110:sc= -1.2 (180deg=-2.54) USER MOD Single : A 1 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 HIS N :NH3+ -107:sc= 0.0184 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 CYS SG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 160:sc= -0.581 USER MOD Single : A 11 GLN : amide:sc= -0.644 X(o=-0.64,f=-0.16) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 13 SER OG : rot 180:sc= -0.0732 USER MOD Single : A 16 TYR OH : rot 180:sc= 0.695 USER MOD Single : A 19 HIS : no HD1:sc= -0.105 X(o=-0.1,f=0) USER MOD Single : A 20 MET CE :methyl -154:sc= -0.245 (180deg=-1.27) USER MOD Single : A 21 LYS NZ :NH3+ 155:sc= 1.17 (180deg=0.688) USER MOD Single : A 34 LYS NZ :NH3+ -175:sc= -0.0851 (180deg=-0.196) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HE2:sc= -2.26! K(o=-2.3!,f=-1.6) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 154:sc= 1.24 (180deg=0.168) USER MOD Single : A 68 SER OG : rot 115:sc= 0.303 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.0146 USER MOD Single : A 71 MET CE :methyl -136:sc= -0.118 (180deg=-0.587) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 34:sc= 1.16 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot 180:sc= -0.386 USER MOD Single : A 79 TYR OH : rot 30:sc= 0.443 USER MOD Single : A 81 THR OG1 : rot -87:sc= 0.00673 USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 5.269 8.391 -11.388 1.00 0.00 N ATOM 2 CA HIS A 1 4.051 7.964 -10.713 1.00 0.00 C ATOM 3 C HIS A 1 4.068 8.445 -9.285 1.00 0.00 C ATOM 4 O HIS A 1 5.105 8.357 -8.617 1.00 0.00 O ATOM 5 CB HIS A 1 3.920 6.427 -10.722 1.00 0.00 C ATOM 6 CG HIS A 1 3.713 5.806 -12.074 1.00 0.00 C ATOM 7 ND1 HIS A 1 4.719 5.249 -12.838 1.00 0.00 N ATOM 8 CD2 HIS A 1 2.571 5.621 -12.777 1.00 0.00 C ATOM 9 CE1 HIS A 1 4.177 4.756 -13.949 1.00 0.00 C ATOM 10 NE2 HIS A 1 2.865 4.955 -13.966 1.00 0.00 N ATOM 0 H1 HIS A 1 5.047 9.160 -12.052 1.00 0.00 H new ATOM 0 H2 HIS A 1 5.956 8.730 -10.684 1.00 0.00 H new ATOM 0 H3 HIS A 1 5.676 7.589 -11.910 1.00 0.00 H new ATOM 0 HA HIS A 1 3.202 8.392 -11.246 1.00 0.00 H new ATOM 0 HB2 HIS A 1 4.820 6.000 -10.279 1.00 0.00 H new ATOM 0 HB3 HIS A 1 3.085 6.147 -10.080 1.00 0.00 H new ATOM 0 HD2 HIS A 1 1.587 5.939 -12.466 1.00 0.00 H new ATOM 0 HE1 HIS A 1 4.731 4.260 -14.732 1.00 0.00 H new ATOM 0 HE2 HIS A 1 2.209 4.678 -14.696 1.00 0.00 H new ATOM 18 N MET A 2 2.942 8.990 -8.840 1.00 0.00 N ATOM 19 CA MET A 2 2.748 9.457 -7.474 1.00 0.00 C ATOM 20 C MET A 2 1.317 9.850 -7.274 1.00 0.00 C ATOM 21 O MET A 2 0.701 10.451 -8.147 1.00 0.00 O ATOM 22 CB MET A 2 3.654 10.636 -7.096 1.00 0.00 C ATOM 23 CG MET A 2 3.528 11.856 -7.996 1.00 0.00 C ATOM 24 SD MET A 2 4.590 13.219 -7.480 1.00 0.00 S ATOM 25 CE MET A 2 4.193 14.435 -8.730 1.00 0.00 C ATOM 0 H MET A 2 2.122 9.122 -9.432 1.00 0.00 H new ATOM 0 HA MET A 2 3.019 8.627 -6.822 1.00 0.00 H new ATOM 0 HB2 MET A 2 3.430 10.934 -6.072 1.00 0.00 H new ATOM 0 HB3 MET A 2 4.690 10.298 -7.110 1.00 0.00 H new ATOM 0 HG2 MET A 2 3.778 11.574 -9.019 1.00 0.00 H new ATOM 0 HG3 MET A 2 2.491 12.192 -8.002 1.00 0.00 H new ATOM 0 HE1 MET A 2 4.770 15.342 -8.551 1.00 0.00 H new ATOM 0 HE2 MET A 2 4.437 14.037 -9.715 1.00 0.00 H new ATOM 0 HE3 MET A 2 3.129 14.668 -8.686 1.00 0.00 H new ATOM 35 N THR A 3 0.765 9.459 -6.176 1.00 0.00 N ATOM 36 CA THR A 3 -0.581 9.812 -5.843 1.00 0.00 C ATOM 37 C THR A 3 -0.714 9.929 -4.336 1.00 0.00 C ATOM 38 O THR A 3 -0.269 9.048 -3.584 1.00 0.00 O ATOM 39 CB THR A 3 -1.578 8.781 -6.389 1.00 0.00 C ATOM 40 OG1 THR A 3 -1.423 8.682 -7.815 1.00 0.00 O ATOM 41 CG2 THR A 3 -3.021 9.170 -6.058 1.00 0.00 C ATOM 0 H THR A 3 1.234 8.882 -5.478 1.00 0.00 H new ATOM 0 HA THR A 3 -0.813 10.772 -6.305 1.00 0.00 H new ATOM 0 HB THR A 3 -1.370 7.820 -5.918 1.00 0.00 H new ATOM 0 HG1 THR A 3 -0.708 8.044 -8.023 1.00 0.00 H new ATOM 0 HG21 THR A 3 -3.701 8.419 -6.459 1.00 0.00 H new ATOM 0 HG22 THR A 3 -3.143 9.230 -4.976 1.00 0.00 H new ATOM 0 HG23 THR A 3 -3.248 10.139 -6.503 1.00 0.00 H new ATOM 49 N PHE A 4 -1.267 11.027 -3.910 1.00 0.00 N ATOM 50 CA PHE A 4 -1.447 11.326 -2.518 1.00 0.00 C ATOM 51 C PHE A 4 -2.938 11.416 -2.196 1.00 0.00 C ATOM 52 O PHE A 4 -3.338 11.650 -1.056 1.00 0.00 O ATOM 53 CB PHE A 4 -0.716 12.631 -2.189 1.00 0.00 C ATOM 54 CG PHE A 4 0.746 12.576 -2.586 1.00 0.00 C ATOM 55 CD1 PHE A 4 1.144 12.921 -3.872 1.00 0.00 C ATOM 56 CD2 PHE A 4 1.703 12.128 -1.699 1.00 0.00 C ATOM 57 CE1 PHE A 4 2.461 12.823 -4.254 1.00 0.00 C ATOM 58 CE2 PHE A 4 3.022 12.017 -2.081 1.00 0.00 C ATOM 59 CZ PHE A 4 3.399 12.366 -3.359 1.00 0.00 C ATOM 0 H PHE A 4 -1.613 11.756 -4.534 1.00 0.00 H new ATOM 0 HA PHE A 4 -1.025 10.532 -1.902 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.201 13.459 -2.705 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.795 12.832 -1.121 1.00 0.00 H new ATOM 0 HD1 PHE A 4 0.408 13.271 -4.581 1.00 0.00 H new ATOM 0 HD2 PHE A 4 1.415 11.861 -0.693 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.758 13.104 -5.254 1.00 0.00 H new ATOM 0 HE2 PHE A 4 3.760 11.657 -1.379 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.433 12.280 -3.658 1.00 0.00 H new ATOM 69 N CYS A 5 -3.750 11.195 -3.216 1.00 0.00 N ATOM 70 CA CYS A 5 -5.179 11.198 -3.093 1.00 0.00 C ATOM 71 C CYS A 5 -5.626 9.855 -2.583 1.00 0.00 C ATOM 72 O CYS A 5 -5.446 8.837 -3.255 1.00 0.00 O ATOM 73 CB CYS A 5 -5.828 11.487 -4.451 1.00 0.00 C ATOM 74 SG CYS A 5 -5.405 13.087 -5.178 1.00 0.00 S ATOM 0 H CYS A 5 -3.420 11.007 -4.163 1.00 0.00 H new ATOM 0 HA CYS A 5 -5.483 11.977 -2.394 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -5.540 10.701 -5.149 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -6.911 11.432 -4.338 1.00 0.00 H new ATOM 0 HG CYS A 5 -6.009 13.217 -6.322 1.00 0.00 H new ATOM 80 N LEU A 6 -6.119 9.842 -1.380 1.00 0.00 N ATOM 81 CA LEU A 6 -6.624 8.636 -0.789 1.00 0.00 C ATOM 82 C LEU A 6 -8.141 8.680 -0.749 1.00 0.00 C ATOM 83 O LEU A 6 -8.811 7.794 -1.255 1.00 0.00 O ATOM 84 CB LEU A 6 -5.994 8.405 0.622 1.00 0.00 C ATOM 85 CG LEU A 6 -6.178 9.498 1.711 1.00 0.00 C ATOM 86 CD1 LEU A 6 -7.486 9.368 2.479 1.00 0.00 C ATOM 87 CD2 LEU A 6 -5.035 9.499 2.665 1.00 0.00 C ATOM 0 H LEU A 6 -6.183 10.665 -0.781 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.335 7.782 -1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.401 7.474 1.017 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -4.923 8.253 0.485 1.00 0.00 H new ATOM 0 HG LEU A 6 -6.210 10.447 1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -7.551 10.161 3.223 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.324 9.450 1.787 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.521 8.399 2.977 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.189 10.273 3.417 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.968 8.527 3.154 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.110 9.697 2.124 1.00 0.00 H new ATOM 99 N GLU A 7 -8.645 9.835 -0.334 1.00 0.00 N ATOM 100 CA GLU A 7 -10.060 10.088 -0.126 1.00 0.00 C ATOM 101 C GLU A 7 -10.835 10.100 -1.432 1.00 0.00 C ATOM 102 O GLU A 7 -12.076 10.068 -1.453 1.00 0.00 O ATOM 103 CB GLU A 7 -10.198 11.385 0.683 1.00 0.00 C ATOM 104 CG GLU A 7 -11.600 11.858 0.987 1.00 0.00 C ATOM 105 CD GLU A 7 -11.578 13.165 1.717 1.00 0.00 C ATOM 106 OE1 GLU A 7 -11.178 14.178 1.115 1.00 0.00 O ATOM 107 OE2 GLU A 7 -11.932 13.218 2.904 1.00 0.00 O ATOM 0 H GLU A 7 -8.060 10.645 -0.127 1.00 0.00 H new ATOM 0 HA GLU A 7 -10.508 9.275 0.445 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.673 11.252 1.629 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -9.683 12.178 0.142 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -12.161 11.965 0.059 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.118 11.110 1.588 1.00 0.00 H new ATOM 114 N THR A 8 -10.119 10.107 -2.519 1.00 0.00 N ATOM 115 CA THR A 8 -10.719 10.058 -3.795 1.00 0.00 C ATOM 116 C THR A 8 -11.306 8.660 -4.022 1.00 0.00 C ATOM 117 O THR A 8 -12.328 8.502 -4.686 1.00 0.00 O ATOM 118 CB THR A 8 -9.686 10.405 -4.863 1.00 0.00 C ATOM 119 OG1 THR A 8 -8.451 9.735 -4.553 1.00 0.00 O ATOM 120 CG2 THR A 8 -9.462 11.909 -4.928 1.00 0.00 C ATOM 0 H THR A 8 -9.100 10.147 -2.532 1.00 0.00 H new ATOM 0 HA THR A 8 -11.527 10.787 -3.858 1.00 0.00 H new ATOM 0 HB THR A 8 -10.052 10.076 -5.836 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.898 9.679 -5.360 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.722 12.134 -5.696 1.00 0.00 H new ATOM 0 HG22 THR A 8 -10.401 12.406 -5.172 1.00 0.00 H new ATOM 0 HG23 THR A 8 -9.103 12.265 -3.963 1.00 0.00 H new ATOM 128 N TYR A 9 -10.696 7.669 -3.376 1.00 0.00 N ATOM 129 CA TYR A 9 -11.115 6.283 -3.492 1.00 0.00 C ATOM 130 C TYR A 9 -12.365 6.021 -2.698 1.00 0.00 C ATOM 131 O TYR A 9 -13.203 5.185 -3.085 1.00 0.00 O ATOM 132 CB TYR A 9 -9.983 5.337 -3.122 1.00 0.00 C ATOM 133 CG TYR A 9 -8.898 5.356 -4.162 1.00 0.00 C ATOM 134 CD1 TYR A 9 -9.071 4.683 -5.357 1.00 0.00 C ATOM 135 CD2 TYR A 9 -7.731 6.083 -3.980 1.00 0.00 C ATOM 136 CE1 TYR A 9 -8.118 4.720 -6.340 1.00 0.00 C ATOM 137 CE2 TYR A 9 -6.771 6.134 -4.969 1.00 0.00 C ATOM 138 CZ TYR A 9 -6.973 5.447 -6.145 1.00 0.00 C ATOM 139 OH TYR A 9 -6.039 5.505 -7.138 1.00 0.00 O ATOM 0 H TYR A 9 -9.897 7.809 -2.758 1.00 0.00 H new ATOM 0 HA TYR A 9 -11.362 6.089 -4.536 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -9.569 5.622 -2.155 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -10.372 4.324 -3.016 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -9.976 4.116 -5.519 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -7.572 6.615 -3.054 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -8.268 4.180 -7.263 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.868 6.708 -4.822 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.179 5.182 -6.797 1.00 0.00 H new ATOM 149 N LEU A 10 -12.520 6.763 -1.618 1.00 0.00 N ATOM 150 CA LEU A 10 -13.699 6.694 -0.776 1.00 0.00 C ATOM 151 C LEU A 10 -14.937 6.996 -1.615 1.00 0.00 C ATOM 152 O LEU A 10 -15.938 6.267 -1.593 1.00 0.00 O ATOM 153 CB LEU A 10 -13.576 7.740 0.344 1.00 0.00 C ATOM 154 CG LEU A 10 -14.826 8.005 1.191 1.00 0.00 C ATOM 155 CD1 LEU A 10 -15.280 6.758 1.914 1.00 0.00 C ATOM 156 CD2 LEU A 10 -14.568 9.128 2.178 1.00 0.00 C ATOM 0 H LEU A 10 -11.825 7.437 -1.298 1.00 0.00 H new ATOM 0 HA LEU A 10 -13.787 5.697 -0.343 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -12.774 7.427 1.013 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -13.266 8.683 -0.106 1.00 0.00 H new ATOM 0 HG LEU A 10 -15.627 8.307 0.517 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -16.168 6.983 2.505 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -15.515 5.981 1.187 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -14.485 6.410 2.573 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -15.465 9.304 2.772 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -13.745 8.851 2.837 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -14.308 10.037 1.635 1.00 0.00 H new ATOM 168 N GLN A 11 -14.791 8.004 -2.436 1.00 0.00 N ATOM 169 CA GLN A 11 -15.841 8.524 -3.290 1.00 0.00 C ATOM 170 C GLN A 11 -16.112 7.592 -4.470 1.00 0.00 C ATOM 171 O GLN A 11 -17.113 7.738 -5.179 1.00 0.00 O ATOM 172 CB GLN A 11 -15.389 9.882 -3.794 1.00 0.00 C ATOM 173 CG GLN A 11 -15.022 10.841 -2.673 1.00 0.00 C ATOM 174 CD GLN A 11 -14.330 12.096 -3.156 1.00 0.00 C ATOM 175 OE1 GLN A 11 -14.572 12.584 -4.263 1.00 0.00 O ATOM 176 NE2 GLN A 11 -13.434 12.597 -2.355 1.00 0.00 N ATOM 0 H GLN A 11 -13.909 8.506 -2.536 1.00 0.00 H new ATOM 0 HA GLN A 11 -16.769 8.605 -2.724 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -14.528 9.752 -4.449 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -16.184 10.323 -4.396 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -15.927 11.119 -2.133 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -14.373 10.327 -1.964 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -13.263 12.165 -1.447 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -12.903 13.422 -2.635 1.00 0.00 H new ATOM 185 N GLN A 12 -15.223 6.650 -4.678 1.00 0.00 N ATOM 186 CA GLN A 12 -15.348 5.725 -5.777 1.00 0.00 C ATOM 187 C GLN A 12 -15.929 4.391 -5.337 1.00 0.00 C ATOM 188 O GLN A 12 -16.631 3.734 -6.108 1.00 0.00 O ATOM 189 CB GLN A 12 -14.014 5.528 -6.480 1.00 0.00 C ATOM 190 CG GLN A 12 -13.482 6.793 -7.123 1.00 0.00 C ATOM 191 CD GLN A 12 -12.145 6.592 -7.783 1.00 0.00 C ATOM 192 OE1 GLN A 12 -11.346 5.764 -7.358 1.00 0.00 O ATOM 193 NE2 GLN A 12 -11.892 7.331 -8.818 1.00 0.00 N ATOM 0 H GLN A 12 -14.399 6.504 -4.095 1.00 0.00 H new ATOM 0 HA GLN A 12 -16.048 6.165 -6.487 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -13.283 5.160 -5.760 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -14.124 4.759 -7.244 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -14.198 7.148 -7.864 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -13.395 7.572 -6.365 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -12.582 8.009 -9.142 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.003 7.234 -9.309 1.00 0.00 H new ATOM 202 N SER A 13 -15.632 3.978 -4.118 1.00 0.00 N ATOM 203 CA SER A 13 -16.139 2.716 -3.585 1.00 0.00 C ATOM 204 C SER A 13 -16.171 2.773 -2.066 1.00 0.00 C ATOM 205 O SER A 13 -17.240 2.820 -1.442 1.00 0.00 O ATOM 206 CB SER A 13 -15.273 1.522 -4.066 1.00 0.00 C ATOM 207 OG SER A 13 -15.264 1.434 -5.485 1.00 0.00 O ATOM 0 H SER A 13 -15.039 4.498 -3.471 1.00 0.00 H new ATOM 0 HA SER A 13 -17.153 2.565 -3.957 1.00 0.00 H new ATOM 0 HB2 SER A 13 -14.253 1.638 -3.699 1.00 0.00 H new ATOM 0 HB3 SER A 13 -15.660 0.595 -3.644 1.00 0.00 H new ATOM 0 HG SER A 13 -14.710 0.675 -5.762 1.00 0.00 H new ATOM 213 N GLY A 14 -15.016 2.849 -1.498 1.00 0.00 N ATOM 214 CA GLY A 14 -14.850 2.886 -0.087 1.00 0.00 C ATOM 215 C GLY A 14 -13.454 3.287 0.174 1.00 0.00 C ATOM 216 O GLY A 14 -12.634 3.199 -0.743 1.00 0.00 O ATOM 0 H GLY A 14 -14.139 2.888 -2.017 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -15.545 3.594 0.364 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -15.059 1.910 0.351 1.00 0.00 H new ATOM 220 N GLU A 15 -13.162 3.713 1.361 1.00 0.00 N ATOM 221 CA GLU A 15 -11.832 4.169 1.655 1.00 0.00 C ATOM 222 C GLU A 15 -10.946 2.964 1.995 1.00 0.00 C ATOM 223 O GLU A 15 -11.438 1.958 2.538 1.00 0.00 O ATOM 224 CB GLU A 15 -11.883 5.224 2.773 1.00 0.00 C ATOM 225 CG GLU A 15 -10.581 5.921 3.018 1.00 0.00 C ATOM 226 CD GLU A 15 -10.072 6.552 1.770 1.00 0.00 C ATOM 227 OE1 GLU A 15 -10.461 7.690 1.495 1.00 0.00 O ATOM 228 OE2 GLU A 15 -9.320 5.880 1.043 1.00 0.00 O ATOM 0 H GLU A 15 -13.818 3.757 2.141 1.00 0.00 H new ATOM 0 HA GLU A 15 -11.387 4.656 0.787 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.639 5.968 2.521 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.204 4.743 3.697 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.711 6.682 3.788 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.848 5.208 3.395 1.00 0.00 H new ATOM 235 N TYR A 16 -9.678 3.045 1.667 1.00 0.00 N ATOM 236 CA TYR A 16 -8.748 1.930 1.883 1.00 0.00 C ATOM 237 C TYR A 16 -7.487 2.442 2.577 1.00 0.00 C ATOM 238 O TYR A 16 -6.481 1.744 2.702 1.00 0.00 O ATOM 239 CB TYR A 16 -8.403 1.300 0.506 1.00 0.00 C ATOM 240 CG TYR A 16 -7.588 0.021 0.569 1.00 0.00 C ATOM 241 CD1 TYR A 16 -8.171 -1.152 0.987 1.00 0.00 C ATOM 242 CD2 TYR A 16 -6.239 -0.008 0.208 1.00 0.00 C ATOM 243 CE1 TYR A 16 -7.458 -2.315 1.058 1.00 0.00 C ATOM 244 CE2 TYR A 16 -5.510 -1.182 0.277 1.00 0.00 C ATOM 245 CZ TYR A 16 -6.133 -2.334 0.703 1.00 0.00 C ATOM 246 OH TYR A 16 -5.435 -3.528 0.767 1.00 0.00 O ATOM 0 H TYR A 16 -9.252 3.871 1.246 1.00 0.00 H new ATOM 0 HA TYR A 16 -9.203 1.172 2.520 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -9.332 1.094 -0.025 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.854 2.034 -0.084 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -9.215 -1.154 1.265 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.758 0.898 -0.130 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -7.939 -3.222 1.394 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -4.466 -1.195 0.000 1.00 0.00 H new ATOM 0 HH TYR A 16 -4.508 -3.381 0.484 1.00 0.00 H new ATOM 256 N GLU A 17 -7.628 3.582 3.145 1.00 0.00 N ATOM 257 CA GLU A 17 -6.575 4.309 3.765 1.00 0.00 C ATOM 258 C GLU A 17 -7.231 5.049 4.922 1.00 0.00 C ATOM 259 O GLU A 17 -8.463 5.027 5.049 1.00 0.00 O ATOM 260 CB GLU A 17 -6.055 5.363 2.758 1.00 0.00 C ATOM 261 CG GLU A 17 -5.524 4.838 1.404 1.00 0.00 C ATOM 262 CD GLU A 17 -4.102 4.308 1.433 1.00 0.00 C ATOM 263 OE1 GLU A 17 -3.180 5.127 1.643 1.00 0.00 O ATOM 264 OE2 GLU A 17 -3.862 3.125 1.090 1.00 0.00 O ATOM 0 H GLU A 17 -8.527 4.061 3.194 1.00 0.00 H new ATOM 0 HA GLU A 17 -5.755 3.666 4.085 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -6.863 6.066 2.555 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -5.256 5.927 3.240 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -6.184 4.044 1.055 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -5.580 5.644 0.672 1.00 0.00 H new ATOM 271 N ILE A 18 -6.471 5.654 5.786 1.00 0.00 N ATOM 272 CA ILE A 18 -7.084 6.428 6.824 1.00 0.00 C ATOM 273 C ILE A 18 -6.943 7.885 6.414 1.00 0.00 C ATOM 274 O ILE A 18 -6.085 8.199 5.590 1.00 0.00 O ATOM 275 CB ILE A 18 -6.556 6.132 8.284 1.00 0.00 C ATOM 276 CG1 ILE A 18 -7.435 6.830 9.346 1.00 0.00 C ATOM 277 CG2 ILE A 18 -5.104 6.519 8.459 1.00 0.00 C ATOM 278 CD1 ILE A 18 -7.074 6.497 10.782 1.00 0.00 C ATOM 0 H ILE A 18 -5.451 5.629 5.795 1.00 0.00 H new ATOM 0 HA ILE A 18 -8.133 6.145 6.911 1.00 0.00 H new ATOM 0 HB ILE A 18 -6.625 5.054 8.430 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -7.362 7.909 9.207 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.476 6.556 9.174 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.788 6.296 9.478 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -4.490 5.954 7.757 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -4.986 7.586 8.268 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.742 7.031 11.458 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -7.176 5.424 10.943 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -6.044 6.797 10.977 1.00 0.00 H new ATOM 290 N HIS A 19 -7.763 8.762 6.943 1.00 0.00 N ATOM 291 CA HIS A 19 -7.750 10.166 6.566 1.00 0.00 C ATOM 292 C HIS A 19 -6.562 10.918 7.168 1.00 0.00 C ATOM 293 O HIS A 19 -6.665 11.701 8.115 1.00 0.00 O ATOM 294 CB HIS A 19 -9.104 10.828 6.836 1.00 0.00 C ATOM 295 CG HIS A 19 -10.222 10.191 6.043 1.00 0.00 C ATOM 296 ND1 HIS A 19 -10.553 10.549 4.758 1.00 0.00 N ATOM 297 CD2 HIS A 19 -11.048 9.162 6.364 1.00 0.00 C ATOM 298 CE1 HIS A 19 -11.535 9.751 4.338 1.00 0.00 C ATOM 299 NE2 HIS A 19 -11.879 8.883 5.282 1.00 0.00 N ATOM 0 H HIS A 19 -8.461 8.527 7.649 1.00 0.00 H new ATOM 0 HA HIS A 19 -7.599 10.220 5.488 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -9.333 10.762 7.900 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -9.044 11.888 6.588 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -11.059 8.642 7.310 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -11.990 9.804 3.360 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -12.600 8.164 5.226 1.00 0.00 H new ATOM 307 N MET A 20 -5.453 10.558 6.634 1.00 0.00 N ATOM 308 CA MET A 20 -4.119 11.037 6.918 1.00 0.00 C ATOM 309 C MET A 20 -3.516 11.416 5.579 1.00 0.00 C ATOM 310 O MET A 20 -4.260 11.739 4.659 1.00 0.00 O ATOM 311 CB MET A 20 -3.340 9.875 7.544 1.00 0.00 C ATOM 312 CG MET A 20 -3.430 9.783 9.056 1.00 0.00 C ATOM 313 SD MET A 20 -2.349 10.966 9.888 1.00 0.00 S ATOM 314 CE MET A 20 -0.739 10.316 9.396 1.00 0.00 C ATOM 0 H MET A 20 -5.439 9.843 5.906 1.00 0.00 H new ATOM 0 HA MET A 20 -4.102 11.888 7.598 1.00 0.00 H new ATOM 0 HB2 MET A 20 -3.704 8.941 7.116 1.00 0.00 H new ATOM 0 HB3 MET A 20 -2.291 9.967 7.262 1.00 0.00 H new ATOM 0 HG2 MET A 20 -4.460 9.957 9.366 1.00 0.00 H new ATOM 0 HG3 MET A 20 -3.168 8.773 9.371 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.008 10.595 10.139 1.00 0.00 H new ATOM 0 HE2 MET A 20 -0.792 9.230 9.324 1.00 0.00 H new ATOM 0 HE3 MET A 20 -0.460 10.730 8.427 1.00 0.00 H new ATOM 324 N LYS A 21 -2.216 11.424 5.452 1.00 0.00 N ATOM 325 CA LYS A 21 -1.615 11.717 4.175 1.00 0.00 C ATOM 326 C LYS A 21 -1.087 10.434 3.563 1.00 0.00 C ATOM 327 O LYS A 21 -0.315 9.710 4.199 1.00 0.00 O ATOM 328 CB LYS A 21 -0.496 12.747 4.325 1.00 0.00 C ATOM 329 CG LYS A 21 0.192 13.133 3.018 1.00 0.00 C ATOM 330 CD LYS A 21 1.299 14.147 3.253 1.00 0.00 C ATOM 331 CE LYS A 21 0.762 15.492 3.728 1.00 0.00 C ATOM 332 NZ LYS A 21 1.853 16.421 4.062 1.00 0.00 N ATOM 0 H LYS A 21 -1.557 11.233 6.207 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.370 12.144 3.515 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -0.907 13.646 4.783 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.253 12.353 5.012 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.607 12.242 2.546 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.542 13.547 2.327 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.996 13.755 3.993 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.861 14.288 2.330 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.135 15.930 2.951 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.129 15.344 4.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.516 17.400 3.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.164 16.254 5.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.651 16.266 3.414 1.00 0.00 H new ATOM 346 N ARG A 22 -1.540 10.113 2.369 1.00 0.00 N ATOM 347 CA ARG A 22 -1.051 8.937 1.696 1.00 0.00 C ATOM 348 C ARG A 22 0.090 9.353 0.797 1.00 0.00 C ATOM 349 O ARG A 22 0.001 10.376 0.125 1.00 0.00 O ATOM 350 CB ARG A 22 -2.170 8.214 0.875 1.00 0.00 C ATOM 351 CG ARG A 22 -1.980 8.227 -0.648 1.00 0.00 C ATOM 352 CD ARG A 22 -2.934 7.307 -1.380 1.00 0.00 C ATOM 353 NE ARG A 22 -2.794 5.915 -0.932 1.00 0.00 N ATOM 354 CZ ARG A 22 -2.323 4.882 -1.653 1.00 0.00 C ATOM 355 NH1 ARG A 22 -1.875 5.055 -2.898 1.00 0.00 N ATOM 356 NH2 ARG A 22 -2.316 3.672 -1.135 1.00 0.00 N ATOM 0 H ARG A 22 -2.239 10.646 1.852 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.709 8.218 2.441 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -2.230 7.178 1.208 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.127 8.680 1.109 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.115 9.245 -1.015 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.956 7.937 -0.882 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.959 7.641 -1.217 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -2.746 7.365 -2.452 1.00 0.00 H new ATOM 0 HE ARG A 22 -3.084 5.711 0.024 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.886 5.984 -3.319 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -1.522 4.258 -3.428 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.667 3.520 -0.189 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -1.959 2.886 -1.679 1.00 0.00 H new ATOM 370 N ALA A 23 1.154 8.614 0.807 1.00 0.00 N ATOM 371 CA ALA A 23 2.257 8.907 -0.057 1.00 0.00 C ATOM 372 C ALA A 23 2.477 7.723 -0.941 1.00 0.00 C ATOM 373 O ALA A 23 3.130 6.793 -0.565 1.00 0.00 O ATOM 374 CB ALA A 23 3.507 9.223 0.742 1.00 0.00 C ATOM 0 H ALA A 23 1.284 7.799 1.406 1.00 0.00 H new ATOM 0 HA ALA A 23 2.033 9.788 -0.658 1.00 0.00 H new ATOM 0 HB1 ALA A 23 4.329 9.442 0.060 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.323 10.089 1.378 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.769 8.366 1.363 1.00 0.00 H new ATOM 380 N GLY A 24 1.885 7.717 -2.088 1.00 0.00 N ATOM 381 CA GLY A 24 2.029 6.567 -2.935 1.00 0.00 C ATOM 382 C GLY A 24 2.822 6.857 -4.155 1.00 0.00 C ATOM 383 O GLY A 24 2.250 7.032 -5.211 1.00 0.00 O ATOM 0 H GLY A 24 1.309 8.472 -2.460 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.510 5.765 -2.375 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.042 6.207 -3.224 1.00 0.00 H new ATOM 387 N PHE A 25 4.143 6.898 -4.031 1.00 0.00 N ATOM 388 CA PHE A 25 4.977 7.201 -5.177 1.00 0.00 C ATOM 389 C PHE A 25 4.996 6.009 -6.112 1.00 0.00 C ATOM 390 O PHE A 25 4.379 6.019 -7.157 1.00 0.00 O ATOM 391 CB PHE A 25 6.406 7.587 -4.756 1.00 0.00 C ATOM 392 CG PHE A 25 6.498 8.825 -3.901 1.00 0.00 C ATOM 393 CD1 PHE A 25 6.396 8.744 -2.520 1.00 0.00 C ATOM 394 CD2 PHE A 25 6.696 10.065 -4.478 1.00 0.00 C ATOM 395 CE1 PHE A 25 6.489 9.876 -1.739 1.00 0.00 C ATOM 396 CE2 PHE A 25 6.789 11.202 -3.701 1.00 0.00 C ATOM 397 CZ PHE A 25 6.686 11.106 -2.328 1.00 0.00 C ATOM 0 H PHE A 25 4.649 6.728 -3.162 1.00 0.00 H new ATOM 0 HA PHE A 25 4.554 8.062 -5.694 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.848 6.752 -4.212 1.00 0.00 H new ATOM 0 HB3 PHE A 25 7.007 7.736 -5.653 1.00 0.00 H new ATOM 0 HD1 PHE A 25 6.242 7.783 -2.051 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.779 10.146 -5.552 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.407 9.799 -0.665 1.00 0.00 H new ATOM 0 HE2 PHE A 25 6.942 12.165 -4.166 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.760 11.993 -1.717 1.00 0.00 H new ATOM 407 N ARG A 26 5.628 4.947 -5.691 1.00 0.00 N ATOM 408 CA ARG A 26 5.701 3.769 -6.537 1.00 0.00 C ATOM 409 C ARG A 26 4.420 2.951 -6.457 1.00 0.00 C ATOM 410 O ARG A 26 3.948 2.456 -7.480 1.00 0.00 O ATOM 411 CB ARG A 26 6.872 2.898 -6.174 1.00 0.00 C ATOM 412 CG ARG A 26 8.231 3.555 -6.260 1.00 0.00 C ATOM 413 CD ARG A 26 8.663 3.804 -7.683 1.00 0.00 C ATOM 414 NE ARG A 26 9.996 4.397 -7.721 1.00 0.00 N ATOM 415 CZ ARG A 26 10.860 4.317 -8.734 1.00 0.00 C ATOM 416 NH1 ARG A 26 10.549 3.660 -9.854 1.00 0.00 N ATOM 417 NH2 ARG A 26 12.043 4.899 -8.616 1.00 0.00 N ATOM 0 H ARG A 26 6.094 4.864 -4.787 1.00 0.00 H new ATOM 0 HA ARG A 26 5.833 4.125 -7.559 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.729 2.534 -5.157 1.00 0.00 H new ATOM 0 HB3 ARG A 26 6.869 2.026 -6.828 1.00 0.00 H new ATOM 0 HG2 ARG A 26 8.208 4.501 -5.720 1.00 0.00 H new ATOM 0 HG3 ARG A 26 8.968 2.923 -5.765 1.00 0.00 H new ATOM 0 HD2 ARG A 26 8.661 2.866 -8.238 1.00 0.00 H new ATOM 0 HD3 ARG A 26 7.950 4.467 -8.174 1.00 0.00 H new ATOM 0 HE ARG A 26 10.294 4.920 -6.898 1.00 0.00 H new ATOM 0 HH11 ARG A 26 9.638 3.209 -9.945 1.00 0.00 H new ATOM 0 HH12 ARG A 26 11.222 3.609 -10.619 1.00 0.00 H new ATOM 0 HH21 ARG A 26 12.282 5.399 -7.760 1.00 0.00 H new ATOM 0 HH22 ARG A 26 12.715 4.847 -9.381 1.00 0.00 H new ATOM 431 N GLU A 27 3.795 2.874 -5.243 1.00 0.00 N ATOM 432 CA GLU A 27 2.575 2.060 -5.062 1.00 0.00 C ATOM 433 C GLU A 27 1.436 2.657 -5.874 1.00 0.00 C ATOM 434 O GLU A 27 0.423 2.032 -6.078 1.00 0.00 O ATOM 435 CB GLU A 27 2.260 1.919 -3.567 1.00 0.00 C ATOM 436 CG GLU A 27 1.236 0.862 -3.114 1.00 0.00 C ATOM 437 CD GLU A 27 -0.217 1.231 -3.302 1.00 0.00 C ATOM 438 OE1 GLU A 27 -0.717 2.148 -2.639 1.00 0.00 O ATOM 439 OE2 GLU A 27 -0.901 0.561 -4.055 1.00 0.00 O ATOM 0 H GLU A 27 4.114 3.356 -4.402 1.00 0.00 H new ATOM 0 HA GLU A 27 2.728 1.049 -5.440 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.198 1.710 -3.052 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.910 2.888 -3.212 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.430 -0.062 -3.659 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.404 0.650 -2.058 1.00 0.00 H new ATOM 446 N CYS A 28 1.641 3.882 -6.346 1.00 0.00 N ATOM 447 CA CYS A 28 0.672 4.548 -7.238 1.00 0.00 C ATOM 448 C CYS A 28 0.258 3.588 -8.403 1.00 0.00 C ATOM 449 O CYS A 28 -0.923 3.474 -8.769 1.00 0.00 O ATOM 450 CB CYS A 28 1.295 5.827 -7.824 1.00 0.00 C ATOM 451 SG CYS A 28 0.333 6.664 -9.108 1.00 0.00 S ATOM 0 H CYS A 28 2.466 4.442 -6.131 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.214 4.807 -6.659 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.465 6.531 -7.009 1.00 0.00 H new ATOM 0 HB3 CYS A 28 2.272 5.575 -8.236 1.00 0.00 H new ATOM 0 HG CYS A 28 -0.573 5.854 -9.569 1.00 0.00 H new ATOM 457 N ALA A 29 1.230 2.856 -8.927 1.00 0.00 N ATOM 458 CA ALA A 29 0.968 1.925 -9.998 1.00 0.00 C ATOM 459 C ALA A 29 0.194 0.719 -9.486 1.00 0.00 C ATOM 460 O ALA A 29 -0.780 0.274 -10.115 1.00 0.00 O ATOM 461 CB ALA A 29 2.256 1.506 -10.677 1.00 0.00 C ATOM 0 H ALA A 29 2.203 2.893 -8.624 1.00 0.00 H new ATOM 0 HA ALA A 29 0.350 2.426 -10.743 1.00 0.00 H new ATOM 0 HB1 ALA A 29 2.032 0.804 -11.480 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.752 2.384 -11.090 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.912 1.027 -9.950 1.00 0.00 H new ATOM 467 N ALA A 30 0.600 0.234 -8.324 1.00 0.00 N ATOM 468 CA ALA A 30 -0.007 -0.914 -7.693 1.00 0.00 C ATOM 469 C ALA A 30 -1.463 -0.686 -7.373 1.00 0.00 C ATOM 470 O ALA A 30 -2.285 -1.518 -7.700 1.00 0.00 O ATOM 471 CB ALA A 30 0.728 -1.267 -6.421 1.00 0.00 C ATOM 0 H ALA A 30 1.371 0.636 -7.790 1.00 0.00 H new ATOM 0 HA ALA A 30 0.061 -1.736 -8.405 1.00 0.00 H new ATOM 0 HB1 ALA A 30 0.258 -2.134 -5.958 1.00 0.00 H new ATOM 0 HB2 ALA A 30 1.767 -1.499 -6.654 1.00 0.00 H new ATOM 0 HB3 ALA A 30 0.690 -0.423 -5.733 1.00 0.00 H new ATOM 477 N MET A 31 -1.768 0.454 -6.748 1.00 0.00 N ATOM 478 CA MET A 31 -3.140 0.792 -6.309 1.00 0.00 C ATOM 479 C MET A 31 -4.146 0.642 -7.434 1.00 0.00 C ATOM 480 O MET A 31 -5.227 0.097 -7.229 1.00 0.00 O ATOM 481 CB MET A 31 -3.235 2.213 -5.693 1.00 0.00 C ATOM 482 CG MET A 31 -3.027 3.313 -6.696 1.00 0.00 C ATOM 483 SD MET A 31 -3.128 4.974 -6.045 1.00 0.00 S ATOM 484 CE MET A 31 -2.899 5.850 -7.592 1.00 0.00 C ATOM 0 H MET A 31 -1.078 1.173 -6.529 1.00 0.00 H new ATOM 0 HA MET A 31 -3.387 0.074 -5.527 1.00 0.00 H new ATOM 0 HB2 MET A 31 -4.214 2.335 -5.229 1.00 0.00 H new ATOM 0 HB3 MET A 31 -2.492 2.308 -4.901 1.00 0.00 H new ATOM 0 HG2 MET A 31 -2.048 3.181 -7.157 1.00 0.00 H new ATOM 0 HG3 MET A 31 -3.769 3.205 -7.487 1.00 0.00 H new ATOM 0 HE1 MET A 31 -1.924 6.337 -7.594 1.00 0.00 H new ATOM 0 HE2 MET A 31 -2.954 5.145 -8.421 1.00 0.00 H new ATOM 0 HE3 MET A 31 -3.680 6.602 -7.703 1.00 0.00 H new ATOM 494 N ILE A 32 -3.749 1.062 -8.632 1.00 0.00 N ATOM 495 CA ILE A 32 -4.613 1.002 -9.791 1.00 0.00 C ATOM 496 C ILE A 32 -5.020 -0.453 -10.074 1.00 0.00 C ATOM 497 O ILE A 32 -6.204 -0.771 -10.261 1.00 0.00 O ATOM 498 CB ILE A 32 -3.906 1.631 -11.032 1.00 0.00 C ATOM 499 CG1 ILE A 32 -3.573 3.119 -10.785 1.00 0.00 C ATOM 500 CG2 ILE A 32 -4.732 1.471 -12.307 1.00 0.00 C ATOM 501 CD1 ILE A 32 -4.782 4.006 -10.513 1.00 0.00 C ATOM 0 H ILE A 32 -2.824 1.450 -8.819 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.515 1.579 -9.586 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.974 1.085 -11.176 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.891 3.189 -9.938 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -3.043 3.508 -11.654 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -4.200 1.924 -13.144 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -4.890 0.411 -12.508 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.696 1.964 -12.180 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.452 5.032 -10.352 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.457 3.973 -11.368 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -5.303 3.649 -9.625 1.00 0.00 H new ATOM 513 N GLU A 33 -4.060 -1.332 -10.017 1.00 0.00 N ATOM 514 CA GLU A 33 -4.287 -2.729 -10.303 1.00 0.00 C ATOM 515 C GLU A 33 -4.889 -3.454 -9.088 1.00 0.00 C ATOM 516 O GLU A 33 -5.681 -4.385 -9.229 1.00 0.00 O ATOM 517 CB GLU A 33 -2.983 -3.375 -10.750 1.00 0.00 C ATOM 518 CG GLU A 33 -2.400 -2.755 -12.004 1.00 0.00 C ATOM 519 CD GLU A 33 -3.336 -2.883 -13.172 1.00 0.00 C ATOM 520 OE1 GLU A 33 -3.344 -3.940 -13.838 1.00 0.00 O ATOM 521 OE2 GLU A 33 -4.097 -1.946 -13.448 1.00 0.00 O ATOM 0 H GLU A 33 -3.096 -1.105 -9.771 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.012 -2.812 -11.112 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.254 -3.298 -9.944 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.154 -4.437 -10.925 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.185 -1.702 -11.823 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.452 -3.238 -12.242 1.00 0.00 H new ATOM 528 N LYS A 34 -4.543 -2.980 -7.907 1.00 0.00 N ATOM 529 CA LYS A 34 -5.016 -3.518 -6.630 1.00 0.00 C ATOM 530 C LYS A 34 -6.503 -3.421 -6.489 1.00 0.00 C ATOM 531 O LYS A 34 -7.108 -4.216 -5.775 1.00 0.00 O ATOM 532 CB LYS A 34 -4.402 -2.749 -5.498 1.00 0.00 C ATOM 533 CG LYS A 34 -3.037 -3.211 -5.054 1.00 0.00 C ATOM 534 CD LYS A 34 -2.360 -2.149 -4.196 1.00 0.00 C ATOM 535 CE LYS A 34 -3.347 -1.443 -3.229 1.00 0.00 C ATOM 536 NZ LYS A 34 -2.695 -0.371 -2.440 1.00 0.00 N ATOM 0 H LYS A 34 -3.908 -2.189 -7.798 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.726 -4.568 -6.604 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -4.333 -1.701 -5.791 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -5.077 -2.797 -4.643 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.128 -4.138 -4.489 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.420 -3.428 -5.926 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.559 -2.611 -3.618 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.897 -1.405 -4.844 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.172 -1.019 -3.802 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.776 -2.180 -2.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.372 0.013 -1.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.872 -0.761 -1.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.383 0.389 -3.078 1.00 0.00 H new ATOM 550 N LYS A 35 -7.085 -2.452 -7.164 1.00 0.00 N ATOM 551 CA LYS A 35 -8.508 -2.220 -7.102 1.00 0.00 C ATOM 552 C LYS A 35 -9.273 -3.386 -7.727 1.00 0.00 C ATOM 553 O LYS A 35 -10.447 -3.624 -7.419 1.00 0.00 O ATOM 554 CB LYS A 35 -8.836 -0.938 -7.842 1.00 0.00 C ATOM 555 CG LYS A 35 -10.314 -0.593 -7.853 1.00 0.00 C ATOM 556 CD LYS A 35 -10.591 0.633 -8.678 1.00 0.00 C ATOM 557 CE LYS A 35 -10.193 0.440 -10.130 1.00 0.00 C ATOM 558 NZ LYS A 35 -10.434 1.639 -10.931 1.00 0.00 N ATOM 0 H LYS A 35 -6.582 -1.804 -7.771 1.00 0.00 H new ATOM 0 HA LYS A 35 -8.807 -2.133 -6.057 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.285 -0.116 -7.386 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.486 -1.024 -8.871 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.882 -1.435 -8.250 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.658 -0.430 -6.832 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.652 0.876 -8.622 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.047 1.481 -8.262 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.137 0.175 -10.184 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.753 -0.395 -10.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.148 1.462 -11.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.446 1.878 -10.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.880 2.431 -10.546 1.00 0.00 H new ATOM 572 N ALA A 36 -8.600 -4.120 -8.584 1.00 0.00 N ATOM 573 CA ALA A 36 -9.220 -5.203 -9.270 1.00 0.00 C ATOM 574 C ALA A 36 -9.427 -6.377 -8.332 1.00 0.00 C ATOM 575 O ALA A 36 -10.560 -6.805 -8.086 1.00 0.00 O ATOM 576 CB ALA A 36 -8.397 -5.616 -10.477 1.00 0.00 C ATOM 0 H ALA A 36 -7.617 -3.976 -8.816 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.196 -4.872 -9.624 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -8.889 -6.445 -10.986 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -8.306 -4.772 -11.161 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.405 -5.928 -10.151 1.00 0.00 H new ATOM 582 N ARG A 37 -8.341 -6.883 -7.791 1.00 0.00 N ATOM 583 CA ARG A 37 -8.389 -8.038 -6.911 1.00 0.00 C ATOM 584 C ARG A 37 -7.341 -7.899 -5.811 1.00 0.00 C ATOM 585 O ARG A 37 -7.635 -7.549 -4.667 1.00 0.00 O ATOM 586 CB ARG A 37 -8.136 -9.343 -7.713 1.00 0.00 C ATOM 587 CG ARG A 37 -9.191 -9.674 -8.766 1.00 0.00 C ATOM 588 CD ARG A 37 -8.782 -10.866 -9.618 1.00 0.00 C ATOM 589 NE ARG A 37 -8.596 -12.084 -8.825 1.00 0.00 N ATOM 590 CZ ARG A 37 -7.925 -13.175 -9.230 1.00 0.00 C ATOM 591 NH1 ARG A 37 -7.317 -13.193 -10.417 1.00 0.00 N ATOM 592 NH2 ARG A 37 -7.838 -14.228 -8.425 1.00 0.00 N ATOM 0 H ARG A 37 -7.404 -6.511 -7.945 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.380 -8.089 -6.460 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -7.166 -9.266 -8.205 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.072 -10.175 -7.012 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -10.141 -9.887 -8.275 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.350 -8.807 -9.407 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -9.543 -11.044 -10.378 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -7.856 -10.633 -10.143 1.00 0.00 H new ATOM 0 HE ARG A 37 -9.008 -12.105 -7.892 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.360 -12.375 -11.024 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.809 -14.025 -10.717 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.279 -14.205 -7.506 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.330 -15.060 -8.726 1.00 0.00 H new ATOM 606 N ARG A 38 -6.132 -8.150 -6.185 1.00 0.00 N ATOM 607 CA ARG A 38 -4.968 -8.088 -5.344 1.00 0.00 C ATOM 608 C ARG A 38 -3.811 -8.180 -6.268 1.00 0.00 C ATOM 609 O ARG A 38 -3.756 -9.082 -7.096 1.00 0.00 O ATOM 610 CB ARG A 38 -4.947 -9.214 -4.283 1.00 0.00 C ATOM 611 CG ARG A 38 -4.955 -10.647 -4.791 1.00 0.00 C ATOM 612 CD ARG A 38 -4.973 -11.614 -3.623 1.00 0.00 C ATOM 613 NE ARG A 38 -6.156 -11.398 -2.764 1.00 0.00 N ATOM 614 CZ ARG A 38 -6.415 -12.027 -1.611 1.00 0.00 C ATOM 615 NH1 ARG A 38 -5.630 -13.003 -1.181 1.00 0.00 N ATOM 616 NH2 ARG A 38 -7.483 -11.674 -0.903 1.00 0.00 N ATOM 0 H ARG A 38 -5.909 -8.421 -7.143 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.950 -7.165 -4.765 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -4.059 -9.080 -3.665 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -5.811 -9.081 -3.632 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -5.827 -10.812 -5.423 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -4.075 -10.827 -5.409 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -4.974 -12.638 -3.996 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -4.065 -11.491 -3.033 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.837 -10.707 -3.078 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -4.817 -13.283 -1.730 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.838 -13.474 -0.301 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -8.095 -10.931 -1.240 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -7.690 -12.146 -0.023 1.00 0.00 H new ATOM 630 N VAL A 39 -2.939 -7.240 -6.205 1.00 0.00 N ATOM 631 CA VAL A 39 -1.832 -7.211 -7.125 1.00 0.00 C ATOM 632 C VAL A 39 -0.537 -6.926 -6.413 1.00 0.00 C ATOM 633 O VAL A 39 -0.518 -6.206 -5.394 1.00 0.00 O ATOM 634 CB VAL A 39 -2.100 -6.167 -8.271 1.00 0.00 C ATOM 635 CG1 VAL A 39 -0.891 -5.968 -9.184 1.00 0.00 C ATOM 636 CG2 VAL A 39 -3.291 -6.613 -9.108 1.00 0.00 C ATOM 0 H VAL A 39 -2.959 -6.475 -5.531 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.739 -8.197 -7.579 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.307 -5.212 -7.787 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.134 -5.237 -9.955 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.047 -5.608 -8.596 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.629 -6.917 -9.652 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.472 -5.886 -9.900 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.081 -7.587 -9.550 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.175 -6.686 -8.474 1.00 0.00 H new ATOM 646 N VAL A 40 0.516 -7.531 -6.914 1.00 0.00 N ATOM 647 CA VAL A 40 1.830 -7.336 -6.399 1.00 0.00 C ATOM 648 C VAL A 40 2.548 -6.318 -7.275 1.00 0.00 C ATOM 649 O VAL A 40 2.329 -6.270 -8.489 1.00 0.00 O ATOM 650 CB VAL A 40 2.646 -8.681 -6.298 1.00 0.00 C ATOM 651 CG1 VAL A 40 2.804 -9.356 -7.657 1.00 0.00 C ATOM 652 CG2 VAL A 40 4.014 -8.467 -5.650 1.00 0.00 C ATOM 0 H VAL A 40 0.471 -8.179 -7.701 1.00 0.00 H new ATOM 0 HA VAL A 40 1.752 -6.960 -5.379 1.00 0.00 H new ATOM 0 HB VAL A 40 2.066 -9.345 -5.657 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.372 -10.279 -7.541 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.820 -9.585 -8.066 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.333 -8.687 -8.336 1.00 0.00 H new ATOM 0 HG21 VAL A 40 4.545 -9.418 -5.599 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.592 -7.760 -6.245 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.882 -8.071 -4.643 1.00 0.00 H new ATOM 662 N HIS A 41 3.340 -5.488 -6.665 1.00 0.00 N ATOM 663 CA HIS A 41 4.077 -4.487 -7.369 1.00 0.00 C ATOM 664 C HIS A 41 5.506 -4.509 -6.871 1.00 0.00 C ATOM 665 O HIS A 41 5.758 -4.373 -5.659 1.00 0.00 O ATOM 666 CB HIS A 41 3.403 -3.118 -7.151 1.00 0.00 C ATOM 667 CG HIS A 41 4.055 -1.923 -7.810 1.00 0.00 C ATOM 668 ND1 HIS A 41 3.967 -1.617 -9.157 1.00 0.00 N ATOM 669 CD2 HIS A 41 4.819 -0.947 -7.265 1.00 0.00 C ATOM 670 CE1 HIS A 41 4.678 -0.516 -9.371 1.00 0.00 C ATOM 671 NE2 HIS A 41 5.216 -0.067 -8.255 1.00 0.00 N ATOM 0 H HIS A 41 3.493 -5.488 -5.656 1.00 0.00 H new ATOM 0 HA HIS A 41 4.087 -4.680 -8.442 1.00 0.00 H new ATOM 0 HB2 HIS A 41 2.376 -3.185 -7.509 1.00 0.00 H new ATOM 0 HB3 HIS A 41 3.355 -2.930 -6.078 1.00 0.00 H new ATOM 0 HD1 HIS A 41 3.448 -2.143 -9.860 1.00 0.00 H new ATOM 0 HD2 HIS A 41 5.078 -0.868 -6.220 1.00 0.00 H new ATOM 0 HE1 HIS A 41 4.800 -0.048 -10.337 1.00 0.00 H new ATOM 679 N ILE A 42 6.421 -4.757 -7.777 1.00 0.00 N ATOM 680 CA ILE A 42 7.818 -4.795 -7.447 1.00 0.00 C ATOM 681 C ILE A 42 8.345 -3.363 -7.406 1.00 0.00 C ATOM 682 O ILE A 42 7.842 -2.498 -8.128 1.00 0.00 O ATOM 683 CB ILE A 42 8.642 -5.671 -8.458 1.00 0.00 C ATOM 684 CG1 ILE A 42 10.076 -5.898 -7.950 1.00 0.00 C ATOM 685 CG2 ILE A 42 8.658 -5.043 -9.855 1.00 0.00 C ATOM 686 CD1 ILE A 42 10.927 -6.766 -8.853 1.00 0.00 C ATOM 0 H ILE A 42 6.215 -4.937 -8.760 1.00 0.00 H new ATOM 0 HA ILE A 42 7.937 -5.265 -6.471 1.00 0.00 H new ATOM 0 HB ILE A 42 8.148 -6.640 -8.531 1.00 0.00 H new ATOM 0 HG12 ILE A 42 10.564 -4.931 -7.830 1.00 0.00 H new ATOM 0 HG13 ILE A 42 10.031 -6.357 -6.962 1.00 0.00 H new ATOM 0 HG21 ILE A 42 9.236 -5.673 -10.531 1.00 0.00 H new ATOM 0 HG22 ILE A 42 7.637 -4.955 -10.226 1.00 0.00 H new ATOM 0 HG23 ILE A 42 9.112 -4.054 -9.804 1.00 0.00 H new ATOM 0 HD11 ILE A 42 11.922 -6.875 -8.421 1.00 0.00 H new ATOM 0 HD12 ILE A 42 10.466 -7.748 -8.954 1.00 0.00 H new ATOM 0 HD13 ILE A 42 11.007 -6.300 -9.835 1.00 0.00 H new ATOM 698 N LYS A 43 9.315 -3.122 -6.541 1.00 0.00 N ATOM 699 CA LYS A 43 9.910 -1.792 -6.337 1.00 0.00 C ATOM 700 C LYS A 43 8.864 -0.777 -5.827 1.00 0.00 C ATOM 701 O LYS A 43 8.615 0.234 -6.476 1.00 0.00 O ATOM 702 CB LYS A 43 10.591 -1.253 -7.618 1.00 0.00 C ATOM 703 CG LYS A 43 11.689 -2.133 -8.170 1.00 0.00 C ATOM 704 CD LYS A 43 12.291 -1.534 -9.420 1.00 0.00 C ATOM 705 CE LYS A 43 13.346 -2.444 -10.014 1.00 0.00 C ATOM 706 NZ LYS A 43 13.943 -1.883 -11.245 1.00 0.00 N ATOM 0 H LYS A 43 9.723 -3.845 -5.949 1.00 0.00 H new ATOM 0 HA LYS A 43 10.679 -1.914 -5.575 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.831 -1.119 -8.388 1.00 0.00 H new ATOM 0 HB3 LYS A 43 11.007 -0.268 -7.405 1.00 0.00 H new ATOM 0 HG2 LYS A 43 12.466 -2.266 -7.417 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.289 -3.122 -8.394 1.00 0.00 H new ATOM 0 HD2 LYS A 43 11.506 -1.356 -10.155 1.00 0.00 H new ATOM 0 HD3 LYS A 43 12.733 -0.566 -9.185 1.00 0.00 H new ATOM 0 HE2 LYS A 43 14.131 -2.615 -9.278 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.902 -3.414 -10.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 14.659 -2.541 -11.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 13.200 -1.743 -11.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 14.391 -0.970 -11.029 1.00 0.00 H new ATOM 720 N PRO A 44 8.186 -1.060 -4.690 1.00 0.00 N ATOM 721 CA PRO A 44 7.221 -0.140 -4.121 1.00 0.00 C ATOM 722 C PRO A 44 7.925 1.018 -3.379 1.00 0.00 C ATOM 723 O PRO A 44 9.058 0.872 -2.887 1.00 0.00 O ATOM 724 CB PRO A 44 6.432 -1.030 -3.167 1.00 0.00 C ATOM 725 CG PRO A 44 7.425 -2.031 -2.717 1.00 0.00 C ATOM 726 CD PRO A 44 8.274 -2.300 -3.898 1.00 0.00 C ATOM 0 HA PRO A 44 6.592 0.349 -4.865 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.030 -0.461 -2.329 1.00 0.00 H new ATOM 0 HB3 PRO A 44 5.586 -1.502 -3.667 1.00 0.00 H new ATOM 0 HG2 PRO A 44 8.018 -1.650 -1.885 1.00 0.00 H new ATOM 0 HG3 PRO A 44 6.936 -2.941 -2.369 1.00 0.00 H new ATOM 0 HD2 PRO A 44 9.302 -2.517 -3.609 1.00 0.00 H new ATOM 0 HD3 PRO A 44 7.913 -3.160 -4.462 1.00 0.00 H new ATOM 734 N GLY A 45 7.236 2.124 -3.246 1.00 0.00 N ATOM 735 CA GLY A 45 7.810 3.306 -2.644 1.00 0.00 C ATOM 736 C GLY A 45 6.738 4.221 -2.201 1.00 0.00 C ATOM 737 O GLY A 45 6.581 5.317 -2.709 1.00 0.00 O ATOM 0 H GLY A 45 6.268 2.232 -3.549 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.433 3.025 -1.795 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.457 3.811 -3.361 1.00 0.00 H new ATOM 741 N GLU A 46 5.917 3.697 -1.402 1.00 0.00 N ATOM 742 CA GLU A 46 4.848 4.389 -0.811 1.00 0.00 C ATOM 743 C GLU A 46 5.025 4.455 0.711 1.00 0.00 C ATOM 744 O GLU A 46 5.980 3.907 1.273 1.00 0.00 O ATOM 745 CB GLU A 46 3.567 3.622 -1.152 1.00 0.00 C ATOM 746 CG GLU A 46 3.335 2.300 -0.357 1.00 0.00 C ATOM 747 CD GLU A 46 4.457 1.286 -0.527 1.00 0.00 C ATOM 748 OE1 GLU A 46 5.001 1.178 -1.642 1.00 0.00 O ATOM 749 OE2 GLU A 46 4.887 0.676 0.474 1.00 0.00 O ATOM 0 H GLU A 46 5.968 2.718 -1.121 1.00 0.00 H new ATOM 0 HA GLU A 46 4.805 5.412 -1.186 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.715 4.281 -0.981 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.579 3.386 -2.216 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.226 2.536 0.702 1.00 0.00 H new ATOM 0 HG3 GLU A 46 2.397 1.850 -0.681 1.00 0.00 H new ATOM 756 N LYS A 47 4.142 5.174 1.318 1.00 0.00 N ATOM 757 CA LYS A 47 4.017 5.344 2.722 1.00 0.00 C ATOM 758 C LYS A 47 2.602 5.693 2.968 1.00 0.00 C ATOM 759 O LYS A 47 2.188 6.847 2.879 1.00 0.00 O ATOM 760 CB LYS A 47 4.957 6.386 3.290 1.00 0.00 C ATOM 761 CG LYS A 47 6.009 5.785 4.189 1.00 0.00 C ATOM 762 CD LYS A 47 5.421 5.222 5.483 1.00 0.00 C ATOM 763 CE LYS A 47 6.474 4.437 6.262 1.00 0.00 C ATOM 764 NZ LYS A 47 5.983 3.940 7.563 1.00 0.00 N ATOM 0 H LYS A 47 3.435 5.698 0.802 1.00 0.00 H new ATOM 0 HA LYS A 47 4.301 4.424 3.233 1.00 0.00 H new ATOM 0 HB2 LYS A 47 5.443 6.917 2.472 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.382 7.123 3.851 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.529 4.990 3.654 1.00 0.00 H new ATOM 0 HG3 LYS A 47 6.752 6.545 4.432 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.039 6.037 6.099 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.576 4.574 5.252 1.00 0.00 H new ATOM 0 HE2 LYS A 47 6.807 3.592 5.660 1.00 0.00 H new ATOM 0 HE3 LYS A 47 7.343 5.073 6.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 6.522 3.094 7.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.106 4.678 8.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.975 3.697 7.484 1.00 0.00 H new ATOM 778 N ILE A 48 1.843 4.693 3.157 1.00 0.00 N ATOM 779 CA ILE A 48 0.461 4.855 3.341 1.00 0.00 C ATOM 780 C ILE A 48 0.106 5.144 4.777 1.00 0.00 C ATOM 781 O ILE A 48 0.160 4.272 5.632 1.00 0.00 O ATOM 782 CB ILE A 48 -0.338 3.670 2.758 1.00 0.00 C ATOM 783 CG1 ILE A 48 0.104 2.315 3.355 1.00 0.00 C ATOM 784 CG2 ILE A 48 -0.176 3.657 1.245 1.00 0.00 C ATOM 785 CD1 ILE A 48 -0.678 1.125 2.834 1.00 0.00 C ATOM 0 H ILE A 48 2.166 3.726 3.189 1.00 0.00 H new ATOM 0 HA ILE A 48 0.165 5.738 2.774 1.00 0.00 H new ATOM 0 HB ILE A 48 -1.387 3.806 3.023 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.162 2.163 3.140 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.002 2.357 4.439 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.738 2.822 0.826 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.553 4.592 0.831 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.879 3.547 0.993 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.307 0.213 3.301 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -1.734 1.251 3.072 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -0.556 1.054 1.753 1.00 0.00 H new ATOM 797 N LEU A 49 -0.126 6.434 5.036 1.00 0.00 N ATOM 798 CA LEU A 49 -0.572 7.000 6.339 1.00 0.00 C ATOM 799 C LEU A 49 0.403 6.680 7.462 1.00 0.00 C ATOM 800 O LEU A 49 0.069 6.796 8.648 1.00 0.00 O ATOM 801 CB LEU A 49 -1.976 6.470 6.755 1.00 0.00 C ATOM 802 CG LEU A 49 -3.086 6.353 5.683 1.00 0.00 C ATOM 803 CD1 LEU A 49 -3.032 7.445 4.646 1.00 0.00 C ATOM 804 CD2 LEU A 49 -3.152 4.957 5.079 1.00 0.00 C ATOM 0 H LEU A 49 -0.007 7.153 4.322 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.617 8.079 6.188 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.837 5.482 7.193 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.351 7.119 7.546 1.00 0.00 H new ATOM 0 HG LEU A 49 -4.030 6.508 6.205 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.837 7.303 3.926 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.147 8.414 5.132 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.073 7.409 4.130 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -3.945 4.921 4.332 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -2.198 4.719 4.608 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.360 4.230 5.864 1.00 0.00 H new ATOM 816 N GLY A 50 1.588 6.287 7.101 1.00 0.00 N ATOM 817 CA GLY A 50 2.567 5.890 8.072 1.00 0.00 C ATOM 818 C GLY A 50 2.412 4.406 8.374 1.00 0.00 C ATOM 819 O GLY A 50 3.366 3.627 8.246 1.00 0.00 O ATOM 0 H GLY A 50 1.903 6.232 6.133 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.570 6.092 7.696 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.445 6.472 8.985 1.00 0.00 H new ATOM 823 N ALA A 51 1.195 4.020 8.696 1.00 0.00 N ATOM 824 CA ALA A 51 0.825 2.664 9.009 1.00 0.00 C ATOM 825 C ALA A 51 -0.400 2.313 8.183 1.00 0.00 C ATOM 826 O ALA A 51 -1.271 3.161 7.983 1.00 0.00 O ATOM 827 CB ALA A 51 0.525 2.526 10.496 1.00 0.00 C ATOM 0 H ALA A 51 0.410 4.670 8.748 1.00 0.00 H new ATOM 0 HA ALA A 51 1.644 1.984 8.773 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.247 1.496 10.717 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.410 2.794 11.072 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.297 3.189 10.764 1.00 0.00 H new ATOM 833 N ARG A 52 -0.468 1.083 7.712 1.00 0.00 N ATOM 834 CA ARG A 52 -1.564 0.646 6.853 1.00 0.00 C ATOM 835 C ARG A 52 -2.889 0.534 7.603 1.00 0.00 C ATOM 836 O ARG A 52 -3.110 -0.411 8.375 1.00 0.00 O ATOM 837 CB ARG A 52 -1.230 -0.693 6.178 1.00 0.00 C ATOM 838 CG ARG A 52 -2.339 -1.223 5.268 1.00 0.00 C ATOM 839 CD ARG A 52 -1.984 -2.582 4.700 1.00 0.00 C ATOM 840 NE ARG A 52 -3.075 -3.141 3.878 1.00 0.00 N ATOM 841 CZ ARG A 52 -3.539 -4.405 3.985 1.00 0.00 C ATOM 842 NH1 ARG A 52 -3.023 -5.228 4.899 1.00 0.00 N ATOM 843 NH2 ARG A 52 -4.519 -4.833 3.173 1.00 0.00 N ATOM 0 H ARG A 52 0.225 0.361 7.908 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.684 1.415 6.090 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -0.318 -0.576 5.592 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -1.021 -1.435 6.949 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -3.270 -1.294 5.830 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.511 -0.520 4.453 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.081 -2.497 4.095 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -1.757 -3.268 5.516 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.507 -2.532 3.183 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.279 -4.903 5.516 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.373 -6.183 4.981 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.914 -4.203 2.474 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.869 -5.788 3.255 1.00 0.00 H new ATOM 857 N ILE A 53 -3.742 1.500 7.401 1.00 0.00 N ATOM 858 CA ILE A 53 -5.046 1.502 7.982 1.00 0.00 C ATOM 859 C ILE A 53 -6.019 1.608 6.846 1.00 0.00 C ATOM 860 O ILE A 53 -6.015 2.588 6.149 1.00 0.00 O ATOM 861 CB ILE A 53 -5.251 2.705 8.938 1.00 0.00 C ATOM 862 CG1 ILE A 53 -4.163 2.713 10.034 1.00 0.00 C ATOM 863 CG2 ILE A 53 -6.654 2.644 9.561 1.00 0.00 C ATOM 864 CD1 ILE A 53 -4.233 3.881 10.997 1.00 0.00 C ATOM 0 H ILE A 53 -3.544 2.315 6.821 1.00 0.00 H new ATOM 0 HA ILE A 53 -5.188 0.595 8.570 1.00 0.00 H new ATOM 0 HB ILE A 53 -5.164 3.630 8.369 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.236 1.787 10.604 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.185 2.716 9.554 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -6.791 3.492 10.232 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -7.405 2.680 8.771 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -6.763 1.716 10.123 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.429 3.798 11.728 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -4.126 4.815 10.445 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -5.194 3.871 11.511 1.00 0.00 H new ATOM 876 N ILE A 54 -6.802 0.585 6.644 1.00 0.00 N ATOM 877 CA ILE A 54 -7.774 0.556 5.569 1.00 0.00 C ATOM 878 C ILE A 54 -8.979 1.400 5.965 1.00 0.00 C ATOM 879 O ILE A 54 -9.524 2.166 5.183 1.00 0.00 O ATOM 880 CB ILE A 54 -8.239 -0.909 5.308 1.00 0.00 C ATOM 881 CG1 ILE A 54 -7.029 -1.799 4.962 1.00 0.00 C ATOM 882 CG2 ILE A 54 -9.289 -0.966 4.202 1.00 0.00 C ATOM 883 CD1 ILE A 54 -7.364 -3.266 4.767 1.00 0.00 C ATOM 0 H ILE A 54 -6.790 -0.258 7.218 1.00 0.00 H new ATOM 0 HA ILE A 54 -7.319 0.954 4.662 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.700 -1.288 6.220 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -6.564 -1.421 4.051 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.289 -1.711 5.758 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.594 -2.000 4.043 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -10.156 -0.373 4.493 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.868 -0.566 3.280 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -6.455 -3.818 4.527 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.799 -3.665 5.683 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -8.078 -3.371 3.950 1.00 0.00 H new ATOM 895 N GLY A 55 -9.395 1.216 7.177 1.00 0.00 N ATOM 896 CA GLY A 55 -10.538 1.912 7.705 1.00 0.00 C ATOM 897 C GLY A 55 -11.766 1.045 7.599 1.00 0.00 C ATOM 898 O GLY A 55 -12.684 1.137 8.416 1.00 0.00 O ATOM 0 H GLY A 55 -8.953 0.576 7.837 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -10.361 2.180 8.747 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -10.692 2.842 7.158 1.00 0.00 H new ATOM 902 N ILE A 56 -11.772 0.199 6.593 1.00 0.00 N ATOM 903 CA ILE A 56 -12.843 -0.743 6.369 1.00 0.00 C ATOM 904 C ILE A 56 -12.521 -1.968 7.184 1.00 0.00 C ATOM 905 O ILE A 56 -11.412 -2.468 7.065 1.00 0.00 O ATOM 906 CB ILE A 56 -12.962 -1.173 4.853 1.00 0.00 C ATOM 907 CG1 ILE A 56 -13.416 -0.017 3.949 1.00 0.00 C ATOM 908 CG2 ILE A 56 -13.879 -2.385 4.669 1.00 0.00 C ATOM 909 CD1 ILE A 56 -14.792 0.540 4.265 1.00 0.00 C ATOM 0 H ILE A 56 -11.025 0.146 5.901 1.00 0.00 H new ATOM 0 HA ILE A 56 -13.788 -0.278 6.651 1.00 0.00 H new ATOM 0 HB ILE A 56 -11.956 -1.459 4.545 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -12.688 0.790 4.023 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -13.408 -0.360 2.914 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -13.931 -2.645 3.612 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -13.482 -3.230 5.231 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -14.878 -2.144 5.033 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -15.024 1.351 3.574 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -15.537 -0.249 4.161 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -14.805 0.919 5.287 1.00 0.00 H new ATOM 921 N PRO A 57 -13.442 -2.427 8.057 1.00 0.00 N ATOM 922 CA PRO A 57 -13.235 -3.640 8.855 1.00 0.00 C ATOM 923 C PRO A 57 -13.143 -4.874 7.945 1.00 0.00 C ATOM 924 O PRO A 57 -14.145 -5.298 7.355 1.00 0.00 O ATOM 925 CB PRO A 57 -14.498 -3.729 9.727 1.00 0.00 C ATOM 926 CG PRO A 57 -15.115 -2.374 9.672 1.00 0.00 C ATOM 927 CD PRO A 57 -14.745 -1.799 8.342 1.00 0.00 C ATOM 0 HA PRO A 57 -12.314 -3.605 9.436 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -15.183 -4.488 9.349 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -14.249 -4.006 10.751 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -16.198 -2.435 9.782 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -14.747 -1.746 10.483 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -15.485 -2.041 7.579 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -14.669 -0.712 8.380 1.00 0.00 H new ATOM 935 N PRO A 58 -11.946 -5.438 7.769 1.00 0.00 N ATOM 936 CA PRO A 58 -11.732 -6.558 6.906 1.00 0.00 C ATOM 937 C PRO A 58 -11.472 -7.830 7.701 1.00 0.00 C ATOM 938 O PRO A 58 -11.813 -7.929 8.887 1.00 0.00 O ATOM 939 CB PRO A 58 -10.438 -6.114 6.215 1.00 0.00 C ATOM 940 CG PRO A 58 -9.657 -5.408 7.304 1.00 0.00 C ATOM 941 CD PRO A 58 -10.666 -5.016 8.376 1.00 0.00 C ATOM 0 HA PRO A 58 -12.572 -6.788 6.251 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.886 -6.966 5.818 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -10.643 -5.448 5.377 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -8.888 -6.062 7.716 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.149 -4.528 6.909 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.476 -5.526 9.320 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -10.646 -3.946 8.582 1.00 0.00 H new ATOM 949 N VAL A 59 -10.906 -8.791 7.041 1.00 0.00 N ATOM 950 CA VAL A 59 -10.528 -10.018 7.666 1.00 0.00 C ATOM 951 C VAL A 59 -9.039 -9.867 8.016 1.00 0.00 C ATOM 952 O VAL A 59 -8.218 -9.736 7.114 1.00 0.00 O ATOM 953 CB VAL A 59 -10.735 -11.218 6.704 1.00 0.00 C ATOM 954 CG1 VAL A 59 -10.408 -12.525 7.400 1.00 0.00 C ATOM 955 CG2 VAL A 59 -12.164 -11.248 6.177 1.00 0.00 C ATOM 0 H VAL A 59 -10.692 -8.745 6.045 1.00 0.00 H new ATOM 0 HA VAL A 59 -11.136 -10.214 8.549 1.00 0.00 H new ATOM 0 HB VAL A 59 -10.057 -11.093 5.860 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -10.560 -13.354 6.708 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -9.369 -12.512 7.729 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -11.060 -12.650 8.264 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -12.286 -12.097 5.505 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -12.858 -11.344 7.012 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -12.372 -10.325 5.636 1.00 0.00 H new ATOM 965 N PRO A 60 -8.677 -9.818 9.313 1.00 0.00 N ATOM 966 CA PRO A 60 -7.289 -9.556 9.767 1.00 0.00 C ATOM 967 C PRO A 60 -6.310 -10.734 9.559 1.00 0.00 C ATOM 968 O PRO A 60 -5.565 -11.099 10.478 1.00 0.00 O ATOM 969 CB PRO A 60 -7.454 -9.278 11.281 1.00 0.00 C ATOM 970 CG PRO A 60 -8.921 -9.172 11.521 1.00 0.00 C ATOM 971 CD PRO A 60 -9.575 -9.999 10.463 1.00 0.00 C ATOM 0 HA PRO A 60 -6.850 -8.742 9.190 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -7.018 -10.081 11.875 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.944 -8.358 11.567 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.180 -9.535 12.515 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.251 -8.135 11.464 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.652 -11.046 10.757 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -10.586 -9.654 10.246 1.00 0.00 H new ATOM 979 N ILE A 61 -6.268 -11.292 8.369 1.00 0.00 N ATOM 980 CA ILE A 61 -5.342 -12.365 8.087 1.00 0.00 C ATOM 981 C ILE A 61 -4.276 -11.817 7.145 1.00 0.00 C ATOM 982 O ILE A 61 -4.548 -10.892 6.387 1.00 0.00 O ATOM 983 CB ILE A 61 -6.063 -13.607 7.450 1.00 0.00 C ATOM 984 CG1 ILE A 61 -7.148 -14.136 8.396 1.00 0.00 C ATOM 985 CG2 ILE A 61 -5.068 -14.730 7.144 1.00 0.00 C ATOM 986 CD1 ILE A 61 -7.959 -15.285 7.830 1.00 0.00 C ATOM 0 H ILE A 61 -6.862 -11.022 7.585 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.893 -12.714 9.017 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.519 -13.280 6.515 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.678 -14.460 9.325 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.824 -13.319 8.649 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.597 -15.575 6.704 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.316 -14.368 6.443 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.582 -15.047 8.067 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.704 -15.600 8.561 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.460 -14.962 6.918 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.297 -16.121 7.604 1.00 0.00 H new ATOM 998 N GLY A 62 -3.078 -12.318 7.217 1.00 0.00 N ATOM 999 CA GLY A 62 -2.063 -11.863 6.320 1.00 0.00 C ATOM 1000 C GLY A 62 -0.758 -12.524 6.584 1.00 0.00 C ATOM 1001 O GLY A 62 -0.619 -13.237 7.576 1.00 0.00 O ATOM 0 H GLY A 62 -2.784 -13.034 7.881 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.370 -12.061 5.293 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -1.950 -10.783 6.416 1.00 0.00 H new ATOM 1005 N ILE A 63 0.160 -12.367 5.672 1.00 0.00 N ATOM 1006 CA ILE A 63 1.488 -12.891 5.805 1.00 0.00 C ATOM 1007 C ILE A 63 2.467 -11.804 5.373 1.00 0.00 C ATOM 1008 O ILE A 63 2.855 -11.720 4.197 1.00 0.00 O ATOM 1009 CB ILE A 63 1.730 -14.170 4.929 1.00 0.00 C ATOM 1010 CG1 ILE A 63 0.685 -15.248 5.214 1.00 0.00 C ATOM 1011 CG2 ILE A 63 3.121 -14.737 5.186 1.00 0.00 C ATOM 1012 CD1 ILE A 63 0.811 -16.469 4.327 1.00 0.00 C ATOM 0 H ILE A 63 0.002 -11.862 4.800 1.00 0.00 H new ATOM 0 HA ILE A 63 1.633 -13.184 6.845 1.00 0.00 H new ATOM 0 HB ILE A 63 1.645 -13.870 3.885 1.00 0.00 H new ATOM 0 HG12 ILE A 63 0.770 -15.557 6.256 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.309 -14.820 5.088 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.272 -15.624 4.570 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.872 -13.988 4.934 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.216 -15.006 6.238 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.036 -17.190 4.588 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.696 -16.174 3.284 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.792 -16.923 4.470 1.00 0.00 H new ATOM 1024 N ASP A 64 2.778 -10.905 6.271 1.00 0.00 N ATOM 1025 CA ASP A 64 3.736 -9.876 5.960 1.00 0.00 C ATOM 1026 C ASP A 64 5.103 -10.359 6.385 1.00 0.00 C ATOM 1027 O ASP A 64 5.480 -10.311 7.552 1.00 0.00 O ATOM 1028 CB ASP A 64 3.365 -8.469 6.532 1.00 0.00 C ATOM 1029 CG ASP A 64 3.411 -8.328 8.045 1.00 0.00 C ATOM 1030 OD1 ASP A 64 2.573 -8.943 8.745 1.00 0.00 O ATOM 1031 OD2 ASP A 64 4.263 -7.550 8.556 1.00 0.00 O ATOM 0 H ASP A 64 2.387 -10.864 7.212 1.00 0.00 H new ATOM 0 HA ASP A 64 3.733 -9.708 4.883 1.00 0.00 H new ATOM 0 HB2 ASP A 64 4.042 -7.733 6.098 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.360 -8.216 6.194 1.00 0.00 H new ATOM 1036 N GLU A 65 5.793 -10.925 5.445 1.00 0.00 N ATOM 1037 CA GLU A 65 7.096 -11.494 5.675 1.00 0.00 C ATOM 1038 C GLU A 65 8.135 -10.428 5.883 1.00 0.00 C ATOM 1039 O GLU A 65 8.707 -10.294 6.961 1.00 0.00 O ATOM 1040 CB GLU A 65 7.475 -12.383 4.489 1.00 0.00 C ATOM 1041 CG GLU A 65 6.599 -13.602 4.340 1.00 0.00 C ATOM 1042 CD GLU A 65 6.739 -14.554 5.503 1.00 0.00 C ATOM 1043 OE1 GLU A 65 6.140 -14.326 6.575 1.00 0.00 O ATOM 1044 OE2 GLU A 65 7.450 -15.555 5.367 1.00 0.00 O ATOM 0 H GLU A 65 5.468 -11.009 4.482 1.00 0.00 H new ATOM 0 HA GLU A 65 7.057 -12.092 6.585 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.422 -11.794 3.573 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.511 -12.703 4.602 1.00 0.00 H new ATOM 0 HG2 GLU A 65 5.558 -13.290 4.252 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.856 -14.120 3.416 1.00 0.00 H new ATOM 1051 N GLU A 66 8.325 -9.642 4.879 1.00 0.00 N ATOM 1052 CA GLU A 66 9.315 -8.626 4.879 1.00 0.00 C ATOM 1053 C GLU A 66 8.888 -7.595 3.837 1.00 0.00 C ATOM 1054 O GLU A 66 7.876 -7.793 3.163 1.00 0.00 O ATOM 1055 CB GLU A 66 10.674 -9.288 4.547 1.00 0.00 C ATOM 1056 CG GLU A 66 11.907 -8.433 4.708 1.00 0.00 C ATOM 1057 CD GLU A 66 13.152 -9.238 4.485 1.00 0.00 C ATOM 1058 OE1 GLU A 66 13.587 -9.916 5.413 1.00 0.00 O ATOM 1059 OE2 GLU A 66 13.707 -9.217 3.370 1.00 0.00 O ATOM 0 H GLU A 66 7.783 -9.691 4.017 1.00 0.00 H new ATOM 0 HA GLU A 66 9.422 -8.124 5.840 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.786 -10.168 5.180 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.637 -9.640 3.516 1.00 0.00 H new ATOM 0 HG2 GLU A 66 11.874 -7.604 4.001 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.925 -7.999 5.708 1.00 0.00 H new ATOM 1066 N ARG A 67 9.653 -6.559 3.684 1.00 0.00 N ATOM 1067 CA ARG A 67 9.326 -5.476 2.769 1.00 0.00 C ATOM 1068 C ARG A 67 9.953 -5.806 1.434 1.00 0.00 C ATOM 1069 O ARG A 67 9.427 -5.505 0.365 1.00 0.00 O ATOM 1070 CB ARG A 67 9.903 -4.164 3.326 1.00 0.00 C ATOM 1071 CG ARG A 67 9.134 -2.892 2.953 1.00 0.00 C ATOM 1072 CD ARG A 67 9.175 -2.561 1.471 1.00 0.00 C ATOM 1073 NE ARG A 67 8.257 -1.458 1.133 1.00 0.00 N ATOM 1074 CZ ARG A 67 8.438 -0.554 0.164 1.00 0.00 C ATOM 1075 NH1 ARG A 67 9.582 -0.510 -0.519 1.00 0.00 N ATOM 1076 NH2 ARG A 67 7.480 0.306 -0.134 1.00 0.00 N ATOM 0 H ARG A 67 10.530 -6.427 4.187 1.00 0.00 H new ATOM 0 HA ARG A 67 8.248 -5.360 2.655 1.00 0.00 H new ATOM 0 HB2 ARG A 67 9.943 -4.238 4.413 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.930 -4.062 2.976 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.095 -3.004 3.262 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.545 -2.053 3.514 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.191 -2.288 1.187 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.909 -3.446 0.893 1.00 0.00 H new ATOM 0 HE ARG A 67 7.406 -1.377 1.689 1.00 0.00 H new ATOM 0 HH11 ARG A 67 10.330 -1.170 -0.305 1.00 0.00 H new ATOM 0 HH12 ARG A 67 9.710 0.183 -1.256 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.597 0.283 0.376 1.00 0.00 H new ATOM 0 HH22 ARG A 67 7.624 0.993 -0.874 1.00 0.00 H new ATOM 1090 N SER A 68 11.066 -6.441 1.520 1.00 0.00 N ATOM 1091 CA SER A 68 11.829 -6.886 0.408 1.00 0.00 C ATOM 1092 C SER A 68 11.431 -8.300 0.015 1.00 0.00 C ATOM 1093 O SER A 68 12.266 -9.137 -0.366 1.00 0.00 O ATOM 1094 CB SER A 68 13.264 -6.784 0.827 1.00 0.00 C ATOM 1095 OG SER A 68 13.342 -6.909 2.252 1.00 0.00 O ATOM 0 H SER A 68 11.493 -6.677 2.416 1.00 0.00 H new ATOM 0 HA SER A 68 11.654 -6.280 -0.481 1.00 0.00 H new ATOM 0 HB2 SER A 68 13.853 -7.566 0.347 1.00 0.00 H new ATOM 0 HB3 SER A 68 13.682 -5.829 0.509 1.00 0.00 H new ATOM 0 HG SER A 68 13.827 -7.729 2.482 1.00 0.00 H new ATOM 1101 N THR A 69 10.161 -8.532 0.072 1.00 0.00 N ATOM 1102 CA THR A 69 9.592 -9.762 -0.291 1.00 0.00 C ATOM 1103 C THR A 69 8.117 -9.533 -0.443 1.00 0.00 C ATOM 1104 O THR A 69 7.654 -8.411 -0.251 1.00 0.00 O ATOM 1105 CB THR A 69 9.887 -10.853 0.757 1.00 0.00 C ATOM 1106 OG1 THR A 69 9.760 -12.142 0.154 1.00 0.00 O ATOM 1107 CG2 THR A 69 8.939 -10.789 1.924 1.00 0.00 C ATOM 0 H THR A 69 9.480 -7.840 0.384 1.00 0.00 H new ATOM 0 HA THR A 69 10.023 -10.121 -1.226 1.00 0.00 H new ATOM 0 HB THR A 69 10.901 -10.684 1.121 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.949 -12.835 0.821 1.00 0.00 H new ATOM 0 HG21 THR A 69 9.185 -11.576 2.636 1.00 0.00 H new ATOM 0 HG22 THR A 69 9.027 -9.818 2.411 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.917 -10.926 1.571 1.00 0.00 H new ATOM 1115 N VAL A 70 7.400 -10.558 -0.753 1.00 0.00 N ATOM 1116 CA VAL A 70 5.980 -10.439 -0.956 1.00 0.00 C ATOM 1117 C VAL A 70 5.202 -10.472 0.353 1.00 0.00 C ATOM 1118 O VAL A 70 5.113 -11.498 1.041 1.00 0.00 O ATOM 1119 CB VAL A 70 5.405 -11.488 -1.963 1.00 0.00 C ATOM 1120 CG1 VAL A 70 5.936 -11.245 -3.353 1.00 0.00 C ATOM 1121 CG2 VAL A 70 5.692 -12.925 -1.534 1.00 0.00 C ATOM 0 H VAL A 70 7.770 -11.501 -0.875 1.00 0.00 H new ATOM 0 HA VAL A 70 5.843 -9.457 -1.408 1.00 0.00 H new ATOM 0 HB VAL A 70 4.323 -11.358 -1.967 1.00 0.00 H new ATOM 0 HG11 VAL A 70 5.522 -11.987 -4.036 1.00 0.00 H new ATOM 0 HG12 VAL A 70 5.648 -10.247 -3.683 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.023 -11.325 -3.346 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.272 -13.614 -2.267 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.769 -13.077 -1.469 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.240 -13.111 -0.560 1.00 0.00 H new ATOM 1131 N MET A 71 4.725 -9.333 0.746 1.00 0.00 N ATOM 1132 CA MET A 71 3.892 -9.266 1.907 1.00 0.00 C ATOM 1133 C MET A 71 2.469 -9.464 1.416 1.00 0.00 C ATOM 1134 O MET A 71 1.878 -8.570 0.817 1.00 0.00 O ATOM 1135 CB MET A 71 4.085 -7.957 2.720 1.00 0.00 C ATOM 1136 CG MET A 71 3.916 -6.655 1.942 1.00 0.00 C ATOM 1137 SD MET A 71 4.108 -5.181 2.981 1.00 0.00 S ATOM 1138 CE MET A 71 2.719 -5.363 4.104 1.00 0.00 C ATOM 0 H MET A 71 4.896 -8.440 0.283 1.00 0.00 H new ATOM 0 HA MET A 71 4.161 -10.044 2.621 1.00 0.00 H new ATOM 0 HB2 MET A 71 3.374 -7.958 3.547 1.00 0.00 H new ATOM 0 HB3 MET A 71 5.083 -7.969 3.158 1.00 0.00 H new ATOM 0 HG2 MET A 71 4.648 -6.622 1.135 1.00 0.00 H new ATOM 0 HG3 MET A 71 2.930 -6.640 1.478 1.00 0.00 H new ATOM 0 HE1 MET A 71 2.218 -4.402 4.222 1.00 0.00 H new ATOM 0 HE2 MET A 71 2.016 -6.091 3.699 1.00 0.00 H new ATOM 0 HE3 MET A 71 3.078 -5.707 5.074 1.00 0.00 H new ATOM 1148 N ILE A 72 1.969 -10.668 1.586 1.00 0.00 N ATOM 1149 CA ILE A 72 0.655 -11.028 1.097 1.00 0.00 C ATOM 1150 C ILE A 72 -0.383 -11.022 2.213 1.00 0.00 C ATOM 1151 O ILE A 72 -0.430 -11.941 3.036 1.00 0.00 O ATOM 1152 CB ILE A 72 0.661 -12.434 0.419 1.00 0.00 C ATOM 1153 CG1 ILE A 72 1.707 -12.486 -0.707 1.00 0.00 C ATOM 1154 CG2 ILE A 72 -0.730 -12.768 -0.134 1.00 0.00 C ATOM 1155 CD1 ILE A 72 1.827 -13.837 -1.387 1.00 0.00 C ATOM 0 H ILE A 72 2.459 -11.423 2.065 1.00 0.00 H new ATOM 0 HA ILE A 72 0.387 -10.274 0.357 1.00 0.00 H new ATOM 0 HB ILE A 72 0.925 -13.177 1.172 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.454 -11.736 -1.457 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.679 -12.211 -0.297 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.708 -13.752 -0.603 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.454 -12.770 0.680 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.017 -12.020 -0.873 1.00 0.00 H new ATOM 0 HD11 ILE A 72 2.586 -13.785 -2.168 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.113 -14.590 -0.652 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.869 -14.108 -1.830 1.00 0.00 H new ATOM 1167 N PRO A 73 -1.183 -9.970 2.307 1.00 0.00 N ATOM 1168 CA PRO A 73 -2.238 -9.899 3.278 1.00 0.00 C ATOM 1169 C PRO A 73 -3.472 -10.647 2.779 1.00 0.00 C ATOM 1170 O PRO A 73 -3.732 -10.717 1.574 1.00 0.00 O ATOM 1171 CB PRO A 73 -2.552 -8.391 3.384 1.00 0.00 C ATOM 1172 CG PRO A 73 -1.558 -7.712 2.498 1.00 0.00 C ATOM 1173 CD PRO A 73 -1.113 -8.746 1.514 1.00 0.00 C ATOM 0 HA PRO A 73 -1.956 -10.345 4.232 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -3.572 -8.179 3.064 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.462 -8.043 4.413 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -2.006 -6.858 1.991 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.714 -7.334 3.075 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.766 -8.787 0.642 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.104 -8.554 1.148 1.00 0.00 H new ATOM 1181 N TYR A 74 -4.211 -11.202 3.683 1.00 0.00 N ATOM 1182 CA TYR A 74 -5.427 -11.884 3.357 1.00 0.00 C ATOM 1183 C TYR A 74 -6.536 -11.127 4.017 1.00 0.00 C ATOM 1184 O TYR A 74 -7.213 -11.607 4.948 1.00 0.00 O ATOM 1185 CB TYR A 74 -5.420 -13.349 3.793 1.00 0.00 C ATOM 1186 CG TYR A 74 -4.410 -14.210 3.079 1.00 0.00 C ATOM 1187 CD1 TYR A 74 -4.684 -14.728 1.823 1.00 0.00 C ATOM 1188 CD2 TYR A 74 -3.192 -14.521 3.663 1.00 0.00 C ATOM 1189 CE1 TYR A 74 -3.775 -15.530 1.170 1.00 0.00 C ATOM 1190 CE2 TYR A 74 -2.278 -15.319 3.013 1.00 0.00 C ATOM 1191 CZ TYR A 74 -2.572 -15.822 1.771 1.00 0.00 C ATOM 1192 OH TYR A 74 -1.658 -16.631 1.126 1.00 0.00 O ATOM 0 H TYR A 74 -3.988 -11.196 4.678 1.00 0.00 H new ATOM 0 HA TYR A 74 -5.555 -11.911 2.275 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.225 -13.395 4.864 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.414 -13.767 3.632 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.627 -14.499 1.348 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -2.957 -14.131 4.642 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -4.005 -15.927 0.192 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -1.332 -15.549 3.480 1.00 0.00 H new ATOM 0 HH TYR A 74 -0.861 -16.736 1.687 1.00 0.00 H new ATOM 1202 N THR A 75 -6.629 -9.906 3.619 1.00 0.00 N ATOM 1203 CA THR A 75 -7.597 -9.019 4.116 1.00 0.00 C ATOM 1204 C THR A 75 -8.641 -8.821 3.052 1.00 0.00 C ATOM 1205 O THR A 75 -8.308 -8.397 1.951 1.00 0.00 O ATOM 1206 CB THR A 75 -6.943 -7.657 4.462 1.00 0.00 C ATOM 1207 OG1 THR A 75 -6.201 -7.158 3.310 1.00 0.00 O ATOM 1208 CG2 THR A 75 -5.998 -7.787 5.647 1.00 0.00 C ATOM 0 H THR A 75 -6.012 -9.495 2.919 1.00 0.00 H new ATOM 0 HA THR A 75 -8.047 -9.428 5.021 1.00 0.00 H new ATOM 0 HB THR A 75 -7.738 -6.959 4.725 1.00 0.00 H new ATOM 0 HG1 THR A 75 -6.657 -7.427 2.485 1.00 0.00 H new ATOM 0 HG21 THR A 75 -5.554 -6.816 5.867 1.00 0.00 H new ATOM 0 HG22 THR A 75 -6.552 -8.138 6.518 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.210 -8.500 5.407 1.00 0.00 H new ATOM 1216 N LYS A 76 -9.864 -9.159 3.342 1.00 0.00 N ATOM 1217 CA LYS A 76 -10.929 -8.961 2.403 1.00 0.00 C ATOM 1218 C LYS A 76 -11.671 -7.684 2.770 1.00 0.00 C ATOM 1219 O LYS A 76 -12.400 -7.652 3.758 1.00 0.00 O ATOM 1220 CB LYS A 76 -11.881 -10.173 2.377 1.00 0.00 C ATOM 1221 CG LYS A 76 -13.065 -10.024 1.419 1.00 0.00 C ATOM 1222 CD LYS A 76 -12.618 -9.806 -0.025 1.00 0.00 C ATOM 1223 CE LYS A 76 -13.813 -9.606 -0.935 1.00 0.00 C ATOM 1224 NZ LYS A 76 -13.425 -9.362 -2.336 1.00 0.00 N ATOM 0 H LYS A 76 -10.149 -9.576 4.228 1.00 0.00 H new ATOM 0 HA LYS A 76 -10.515 -8.864 1.399 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.313 -11.060 2.098 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.263 -10.342 3.384 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.688 -10.917 1.473 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -13.683 -9.184 1.736 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.964 -8.936 -0.080 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.037 -10.664 -0.364 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -14.453 -10.487 -0.887 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -14.403 -8.764 -0.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -14.279 -9.232 -2.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.837 -8.506 -2.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -12.885 -10.176 -2.693 1.00 0.00 H new ATOM 1238 N PRO A 77 -11.405 -6.591 2.053 1.00 0.00 N ATOM 1239 CA PRO A 77 -12.050 -5.340 2.270 1.00 0.00 C ATOM 1240 C PRO A 77 -13.081 -5.056 1.184 1.00 0.00 C ATOM 1241 O PRO A 77 -13.597 -5.969 0.519 1.00 0.00 O ATOM 1242 CB PRO A 77 -10.860 -4.379 2.153 1.00 0.00 C ATOM 1243 CG PRO A 77 -9.933 -5.033 1.159 1.00 0.00 C ATOM 1244 CD PRO A 77 -10.406 -6.460 0.987 1.00 0.00 C ATOM 0 HA PRO A 77 -12.601 -5.275 3.208 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -11.179 -3.395 1.809 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -10.370 -4.237 3.116 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -9.952 -4.503 0.207 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -8.904 -5.008 1.517 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -10.839 -6.628 0.001 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -9.591 -7.175 1.103 1.00 0.00 H new ATOM 1252 N CYS A 78 -13.362 -3.812 1.010 1.00 0.00 N ATOM 1253 CA CYS A 78 -14.307 -3.364 0.042 1.00 0.00 C ATOM 1254 C CYS A 78 -13.584 -2.654 -1.110 1.00 0.00 C ATOM 1255 O CYS A 78 -14.147 -1.796 -1.784 1.00 0.00 O ATOM 1256 CB CYS A 78 -15.263 -2.439 0.757 1.00 0.00 C ATOM 1257 SG CYS A 78 -16.169 -3.252 2.093 1.00 0.00 S ATOM 0 H CYS A 78 -12.933 -3.059 1.548 1.00 0.00 H new ATOM 0 HA CYS A 78 -14.856 -4.197 -0.398 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -14.706 -1.595 1.164 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -15.974 -2.034 0.037 1.00 0.00 H new ATOM 0 HG CYS A 78 -16.966 -2.396 2.660 1.00 0.00 H new ATOM 1263 N TYR A 79 -12.347 -3.067 -1.356 1.00 0.00 N ATOM 1264 CA TYR A 79 -11.519 -2.459 -2.388 1.00 0.00 C ATOM 1265 C TYR A 79 -10.645 -3.529 -3.067 1.00 0.00 C ATOM 1266 O TYR A 79 -11.020 -4.075 -4.098 1.00 0.00 O ATOM 1267 CB TYR A 79 -10.666 -1.322 -1.781 1.00 0.00 C ATOM 1268 CG TYR A 79 -9.794 -0.559 -2.765 1.00 0.00 C ATOM 1269 CD1 TYR A 79 -10.333 0.422 -3.584 1.00 0.00 C ATOM 1270 CD2 TYR A 79 -8.427 -0.807 -2.853 1.00 0.00 C ATOM 1271 CE1 TYR A 79 -9.537 1.132 -4.462 1.00 0.00 C ATOM 1272 CE2 TYR A 79 -7.629 -0.105 -3.727 1.00 0.00 C ATOM 1273 CZ TYR A 79 -8.186 0.862 -4.529 1.00 0.00 C ATOM 1274 OH TYR A 79 -7.390 1.568 -5.393 1.00 0.00 O ATOM 0 H TYR A 79 -11.893 -3.827 -0.850 1.00 0.00 H new ATOM 0 HA TYR A 79 -12.159 -2.021 -3.155 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -11.333 -0.614 -1.289 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -10.025 -1.746 -1.008 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -11.391 0.634 -3.535 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -7.984 -1.565 -2.223 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -9.970 1.894 -5.093 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -6.571 -0.313 -3.782 1.00 0.00 H new ATOM 0 HH TYR A 79 -7.757 2.469 -5.514 1.00 0.00 H new ATOM 1284 N GLY A 80 -9.547 -3.896 -2.433 1.00 0.00 N ATOM 1285 CA GLY A 80 -8.640 -4.875 -2.991 1.00 0.00 C ATOM 1286 C GLY A 80 -7.495 -5.120 -2.045 1.00 0.00 C ATOM 1287 O GLY A 80 -7.474 -4.549 -0.959 1.00 0.00 O ATOM 0 H GLY A 80 -9.263 -3.527 -1.526 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -9.171 -5.808 -3.180 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.260 -4.524 -3.951 1.00 0.00 H new ATOM 1291 N THR A 81 -6.549 -5.926 -2.426 1.00 0.00 N ATOM 1292 CA THR A 81 -5.434 -6.231 -1.551 1.00 0.00 C ATOM 1293 C THR A 81 -4.102 -5.772 -2.178 1.00 0.00 C ATOM 1294 O THR A 81 -3.943 -5.785 -3.404 1.00 0.00 O ATOM 1295 CB THR A 81 -5.423 -7.736 -1.206 1.00 0.00 C ATOM 1296 OG1 THR A 81 -6.694 -8.089 -0.651 1.00 0.00 O ATOM 1297 CG2 THR A 81 -4.345 -8.073 -0.194 1.00 0.00 C ATOM 0 H THR A 81 -6.518 -6.389 -3.335 1.00 0.00 H new ATOM 0 HA THR A 81 -5.555 -5.678 -0.619 1.00 0.00 H new ATOM 0 HB THR A 81 -5.220 -8.292 -2.121 1.00 0.00 H new ATOM 0 HG1 THR A 81 -6.684 -7.931 0.316 1.00 0.00 H new ATOM 0 HG21 THR A 81 -4.370 -9.141 0.022 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.369 -7.808 -0.600 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.520 -7.513 0.724 1.00 0.00 H new ATOM 1305 N ALA A 82 -3.174 -5.358 -1.331 1.00 0.00 N ATOM 1306 CA ALA A 82 -1.890 -4.837 -1.749 1.00 0.00 C ATOM 1307 C ALA A 82 -0.763 -5.773 -1.395 1.00 0.00 C ATOM 1308 O ALA A 82 -0.551 -6.061 -0.227 1.00 0.00 O ATOM 1309 CB ALA A 82 -1.632 -3.512 -1.051 1.00 0.00 C ATOM 0 H ALA A 82 -3.297 -5.376 -0.319 1.00 0.00 H new ATOM 0 HA ALA A 82 -1.923 -4.717 -2.832 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -0.665 -3.118 -1.364 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.416 -2.803 -1.316 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -1.629 -3.664 0.028 1.00 0.00 H new ATOM 1315 N VAL A 83 -0.063 -6.233 -2.383 1.00 0.00 N ATOM 1316 CA VAL A 83 1.085 -7.073 -2.181 1.00 0.00 C ATOM 1317 C VAL A 83 2.259 -6.303 -2.752 1.00 0.00 C ATOM 1318 O VAL A 83 2.306 -6.029 -3.932 1.00 0.00 O ATOM 1319 CB VAL A 83 0.948 -8.444 -2.911 1.00 0.00 C ATOM 1320 CG1 VAL A 83 2.132 -9.346 -2.590 1.00 0.00 C ATOM 1321 CG2 VAL A 83 -0.363 -9.136 -2.546 1.00 0.00 C ATOM 0 H VAL A 83 -0.270 -6.037 -3.362 1.00 0.00 H new ATOM 0 HA VAL A 83 1.206 -7.302 -1.122 1.00 0.00 H new ATOM 0 HB VAL A 83 0.940 -8.250 -3.983 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.016 -10.297 -3.110 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.055 -8.865 -2.915 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.174 -9.522 -1.515 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.430 -10.089 -3.070 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -0.395 -9.311 -1.471 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.202 -8.503 -2.836 1.00 0.00 H new ATOM 1331 N VAL A 84 3.144 -5.874 -1.929 1.00 0.00 N ATOM 1332 CA VAL A 84 4.269 -5.117 -2.417 1.00 0.00 C ATOM 1333 C VAL A 84 5.547 -5.904 -2.172 1.00 0.00 C ATOM 1334 O VAL A 84 5.644 -6.613 -1.168 1.00 0.00 O ATOM 1335 CB VAL A 84 4.329 -3.676 -1.793 1.00 0.00 C ATOM 1336 CG1 VAL A 84 3.052 -2.897 -2.092 1.00 0.00 C ATOM 1337 CG2 VAL A 84 4.602 -3.705 -0.295 1.00 0.00 C ATOM 0 H VAL A 84 3.125 -6.025 -0.920 1.00 0.00 H new ATOM 0 HA VAL A 84 4.152 -4.966 -3.490 1.00 0.00 H new ATOM 0 HB VAL A 84 5.168 -3.163 -2.264 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.120 -1.903 -1.649 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.926 -2.805 -3.171 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.197 -3.425 -1.670 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.634 -2.685 0.089 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.809 -4.258 0.209 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.559 -4.193 -0.109 1.00 0.00 H new ATOM 1347 N GLU A 85 6.484 -5.836 -3.109 1.00 0.00 N ATOM 1348 CA GLU A 85 7.740 -6.570 -3.000 1.00 0.00 C ATOM 1349 C GLU A 85 8.900 -5.708 -3.468 1.00 0.00 C ATOM 1350 O GLU A 85 8.981 -5.322 -4.639 1.00 0.00 O ATOM 1351 CB GLU A 85 7.683 -7.861 -3.823 1.00 0.00 C ATOM 1352 CG GLU A 85 8.972 -8.676 -3.816 1.00 0.00 C ATOM 1353 CD GLU A 85 8.895 -9.914 -4.678 1.00 0.00 C ATOM 1354 OE1 GLU A 85 8.525 -9.809 -5.862 1.00 0.00 O ATOM 1355 OE2 GLU A 85 9.195 -11.027 -4.183 1.00 0.00 O ATOM 0 H GLU A 85 6.398 -5.277 -3.958 1.00 0.00 H new ATOM 0 HA GLU A 85 7.893 -6.830 -1.952 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.873 -8.483 -3.443 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.434 -7.609 -4.854 1.00 0.00 H new ATOM 0 HG2 GLU A 85 9.793 -8.049 -4.164 1.00 0.00 H new ATOM 0 HG3 GLU A 85 9.205 -8.968 -2.792 1.00 0.00 H new ATOM 1362 N LEU A 86 9.765 -5.366 -2.565 1.00 0.00 N ATOM 1363 CA LEU A 86 10.916 -4.569 -2.901 1.00 0.00 C ATOM 1364 C LEU A 86 12.099 -5.502 -3.203 1.00 0.00 C ATOM 1365 O LEU A 86 12.374 -6.394 -2.437 1.00 0.00 O ATOM 1366 CB LEU A 86 11.254 -3.635 -1.729 1.00 0.00 C ATOM 1367 CG LEU A 86 12.357 -2.605 -1.969 1.00 0.00 C ATOM 1368 CD1 LEU A 86 11.899 -1.508 -2.918 1.00 0.00 C ATOM 1369 CD2 LEU A 86 12.858 -2.032 -0.657 1.00 0.00 C ATOM 0 H LEU A 86 9.700 -5.626 -1.581 1.00 0.00 H new ATOM 0 HA LEU A 86 10.706 -3.961 -3.781 1.00 0.00 H new ATOM 0 HB2 LEU A 86 10.346 -3.102 -1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.542 -4.250 -0.876 1.00 0.00 H new ATOM 0 HG LEU A 86 13.191 -3.117 -2.449 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.709 -0.793 -3.066 1.00 0.00 H new ATOM 0 HD12 LEU A 86 11.624 -1.948 -3.877 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.036 -0.996 -2.493 1.00 0.00 H new ATOM 0 HD21 LEU A 86 13.642 -1.302 -0.855 1.00 0.00 H new ATOM 0 HD22 LEU A 86 12.034 -1.547 -0.134 1.00 0.00 H new ATOM 0 HD23 LEU A 86 13.258 -2.835 -0.038 1.00 0.00 H new ATOM 1381 N PRO A 87 12.799 -5.317 -4.331 1.00 0.00 N ATOM 1382 CA PRO A 87 13.969 -6.142 -4.685 1.00 0.00 C ATOM 1383 C PRO A 87 15.266 -5.544 -4.116 1.00 0.00 C ATOM 1384 O PRO A 87 16.377 -5.838 -4.573 1.00 0.00 O ATOM 1385 CB PRO A 87 13.967 -6.056 -6.202 1.00 0.00 C ATOM 1386 CG PRO A 87 13.460 -4.688 -6.494 1.00 0.00 C ATOM 1387 CD PRO A 87 12.506 -4.328 -5.377 1.00 0.00 C ATOM 0 HA PRO A 87 13.920 -7.158 -4.293 1.00 0.00 H new ATOM 0 HB2 PRO A 87 14.967 -6.205 -6.610 1.00 0.00 H new ATOM 0 HB3 PRO A 87 13.326 -6.820 -6.643 1.00 0.00 H new ATOM 0 HG2 PRO A 87 14.282 -3.974 -6.546 1.00 0.00 H new ATOM 0 HG3 PRO A 87 12.953 -4.661 -7.459 1.00 0.00 H new ATOM 0 HD2 PRO A 87 12.671 -3.311 -5.023 1.00 0.00 H new ATOM 0 HD3 PRO A 87 11.468 -4.387 -5.703 1.00 0.00 H new ATOM 1395 N VAL A 88 15.094 -4.708 -3.136 1.00 0.00 N ATOM 1396 CA VAL A 88 16.160 -4.034 -2.449 1.00 0.00 C ATOM 1397 C VAL A 88 15.989 -4.429 -1.003 1.00 0.00 C ATOM 1398 O VAL A 88 14.883 -4.776 -0.615 1.00 0.00 O ATOM 1399 CB VAL A 88 16.007 -2.482 -2.567 1.00 0.00 C ATOM 1400 CG1 VAL A 88 17.191 -1.740 -1.969 1.00 0.00 C ATOM 1401 CG2 VAL A 88 15.767 -2.044 -4.006 1.00 0.00 C ATOM 0 H VAL A 88 14.170 -4.466 -2.777 1.00 0.00 H new ATOM 0 HA VAL A 88 17.133 -4.301 -2.862 1.00 0.00 H new ATOM 0 HB VAL A 88 15.125 -2.216 -1.984 1.00 0.00 H new ATOM 0 HG11 VAL A 88 17.038 -0.666 -2.075 1.00 0.00 H new ATOM 0 HG12 VAL A 88 17.282 -1.991 -0.912 1.00 0.00 H new ATOM 0 HG13 VAL A 88 18.103 -2.030 -2.490 1.00 0.00 H new ATOM 0 HG21 VAL A 88 15.666 -0.959 -4.044 1.00 0.00 H new ATOM 0 HG22 VAL A 88 16.609 -2.352 -4.625 1.00 0.00 H new ATOM 0 HG23 VAL A 88 14.853 -2.507 -4.380 1.00 0.00 H new ATOM 1411 N ASP A 89 17.041 -4.376 -0.229 1.00 0.00 N ATOM 1412 CA ASP A 89 17.002 -4.782 1.181 1.00 0.00 C ATOM 1413 C ASP A 89 16.088 -3.858 2.002 1.00 0.00 C ATOM 1414 O ASP A 89 15.771 -2.735 1.560 1.00 0.00 O ATOM 1415 CB ASP A 89 18.433 -4.814 1.783 1.00 0.00 C ATOM 1416 CG ASP A 89 19.292 -5.932 1.227 1.00 0.00 C ATOM 1417 OD1 ASP A 89 19.229 -7.065 1.746 1.00 0.00 O ATOM 1418 OD2 ASP A 89 20.056 -5.699 0.251 1.00 0.00 O ATOM 0 H ASP A 89 17.956 -4.053 -0.543 1.00 0.00 H new ATOM 0 HA ASP A 89 16.587 -5.789 1.227 1.00 0.00 H new ATOM 0 HB2 ASP A 89 18.922 -3.859 1.590 1.00 0.00 H new ATOM 0 HB3 ASP A 89 18.362 -4.923 2.865 1.00 0.00 H new ATOM 1423 N PRO A 90 15.644 -4.292 3.222 1.00 0.00 N ATOM 1424 CA PRO A 90 14.784 -3.475 4.118 1.00 0.00 C ATOM 1425 C PRO A 90 15.456 -2.146 4.569 1.00 0.00 C ATOM 1426 O PRO A 90 14.883 -1.383 5.341 1.00 0.00 O ATOM 1427 CB PRO A 90 14.554 -4.391 5.338 1.00 0.00 C ATOM 1428 CG PRO A 90 15.636 -5.409 5.269 1.00 0.00 C ATOM 1429 CD PRO A 90 15.896 -5.630 3.813 1.00 0.00 C ATOM 0 HA PRO A 90 13.869 -3.168 3.611 1.00 0.00 H new ATOM 0 HB2 PRO A 90 14.603 -3.827 6.269 1.00 0.00 H new ATOM 0 HB3 PRO A 90 13.570 -4.859 5.300 1.00 0.00 H new ATOM 0 HG2 PRO A 90 16.534 -5.060 5.778 1.00 0.00 H new ATOM 0 HG3 PRO A 90 15.333 -6.335 5.757 1.00 0.00 H new ATOM 0 HD2 PRO A 90 16.917 -5.965 3.632 1.00 0.00 H new ATOM 0 HD3 PRO A 90 15.233 -6.387 3.395 1.00 0.00 H new ATOM 1437 N GLU A 91 16.660 -1.890 4.071 1.00 0.00 N ATOM 1438 CA GLU A 91 17.404 -0.669 4.338 1.00 0.00 C ATOM 1439 C GLU A 91 16.613 0.539 3.830 1.00 0.00 C ATOM 1440 O GLU A 91 16.656 1.619 4.404 1.00 0.00 O ATOM 1441 CB GLU A 91 18.766 -0.711 3.616 1.00 0.00 C ATOM 1442 CG GLU A 91 18.660 -0.892 2.097 1.00 0.00 C ATOM 1443 CD GLU A 91 19.962 -0.689 1.378 1.00 0.00 C ATOM 1444 OE1 GLU A 91 20.309 0.469 1.072 1.00 0.00 O ATOM 1445 OE2 GLU A 91 20.656 -1.667 1.087 1.00 0.00 O ATOM 0 H GLU A 91 17.154 -2.539 3.459 1.00 0.00 H new ATOM 0 HA GLU A 91 17.563 -0.584 5.413 1.00 0.00 H new ATOM 0 HB2 GLU A 91 19.305 0.213 3.825 1.00 0.00 H new ATOM 0 HB3 GLU A 91 19.360 -1.527 4.028 1.00 0.00 H new ATOM 0 HG2 GLU A 91 18.288 -1.894 1.883 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.924 -0.189 1.706 1.00 0.00 H new ATOM 1452 N GLU A 92 15.839 0.313 2.771 1.00 0.00 N ATOM 1453 CA GLU A 92 15.072 1.362 2.137 1.00 0.00 C ATOM 1454 C GLU A 92 13.970 1.877 3.060 1.00 0.00 C ATOM 1455 O GLU A 92 13.562 3.033 2.966 1.00 0.00 O ATOM 1456 CB GLU A 92 14.520 0.875 0.797 1.00 0.00 C ATOM 1457 CG GLU A 92 13.852 1.953 -0.054 1.00 0.00 C ATOM 1458 CD GLU A 92 14.743 3.163 -0.277 1.00 0.00 C ATOM 1459 OE1 GLU A 92 15.921 2.997 -0.660 1.00 0.00 O ATOM 1460 OE2 GLU A 92 14.298 4.291 -0.035 1.00 0.00 O ATOM 0 H GLU A 92 15.732 -0.603 2.335 1.00 0.00 H new ATOM 0 HA GLU A 92 15.732 2.206 1.938 1.00 0.00 H new ATOM 0 HB2 GLU A 92 15.335 0.434 0.224 1.00 0.00 H new ATOM 0 HB3 GLU A 92 13.797 0.082 0.985 1.00 0.00 H new ATOM 0 HG2 GLU A 92 13.576 1.528 -1.019 1.00 0.00 H new ATOM 0 HG3 GLU A 92 12.929 2.272 0.430 1.00 0.00 H new ATOM 1467 N ILE A 93 13.565 1.041 4.009 1.00 0.00 N ATOM 1468 CA ILE A 93 12.525 1.389 4.967 1.00 0.00 C ATOM 1469 C ILE A 93 12.919 2.639 5.763 1.00 0.00 C ATOM 1470 O ILE A 93 12.078 3.441 6.100 1.00 0.00 O ATOM 1471 CB ILE A 93 12.228 0.213 5.943 1.00 0.00 C ATOM 1472 CG1 ILE A 93 11.754 -1.016 5.165 1.00 0.00 C ATOM 1473 CG2 ILE A 93 11.182 0.608 6.990 1.00 0.00 C ATOM 1474 CD1 ILE A 93 11.521 -2.234 6.032 1.00 0.00 C ATOM 0 H ILE A 93 13.948 0.104 4.135 1.00 0.00 H new ATOM 0 HA ILE A 93 11.618 1.597 4.400 1.00 0.00 H new ATOM 0 HB ILE A 93 13.154 -0.029 6.465 1.00 0.00 H new ATOM 0 HG12 ILE A 93 10.829 -0.770 4.644 1.00 0.00 H new ATOM 0 HG13 ILE A 93 12.494 -1.260 4.403 1.00 0.00 H new ATOM 0 HG21 ILE A 93 10.997 -0.235 7.656 1.00 0.00 H new ATOM 0 HG22 ILE A 93 11.549 1.455 7.570 1.00 0.00 H new ATOM 0 HG23 ILE A 93 10.254 0.886 6.490 1.00 0.00 H new ATOM 0 HD11 ILE A 93 11.187 -3.065 5.410 1.00 0.00 H new ATOM 0 HD12 ILE A 93 12.450 -2.507 6.533 1.00 0.00 H new ATOM 0 HD13 ILE A 93 10.758 -2.009 6.778 1.00 0.00 H new ATOM 1486 N GLU A 94 14.221 2.837 5.964 1.00 0.00 N ATOM 1487 CA GLU A 94 14.721 3.978 6.728 1.00 0.00 C ATOM 1488 C GLU A 94 14.369 5.275 6.018 1.00 0.00 C ATOM 1489 O GLU A 94 13.946 6.250 6.638 1.00 0.00 O ATOM 1490 CB GLU A 94 16.231 3.908 6.872 1.00 0.00 C ATOM 1491 CG GLU A 94 16.756 2.647 7.516 1.00 0.00 C ATOM 1492 CD GLU A 94 18.255 2.657 7.580 1.00 0.00 C ATOM 1493 OE1 GLU A 94 18.913 2.457 6.539 1.00 0.00 O ATOM 1494 OE2 GLU A 94 18.817 2.887 8.651 1.00 0.00 O ATOM 0 H GLU A 94 14.950 2.220 5.607 1.00 0.00 H new ATOM 0 HA GLU A 94 14.258 3.949 7.714 1.00 0.00 H new ATOM 0 HB2 GLU A 94 16.679 4.006 5.883 1.00 0.00 H new ATOM 0 HB3 GLU A 94 16.564 4.763 7.460 1.00 0.00 H new ATOM 0 HG2 GLU A 94 16.347 2.551 8.522 1.00 0.00 H new ATOM 0 HG3 GLU A 94 16.419 1.778 6.950 1.00 0.00 H new ATOM 1501 N ARG A 95 14.481 5.258 4.711 1.00 0.00 N ATOM 1502 CA ARG A 95 14.222 6.440 3.921 1.00 0.00 C ATOM 1503 C ARG A 95 12.732 6.612 3.831 1.00 0.00 C ATOM 1504 O ARG A 95 12.210 7.704 3.950 1.00 0.00 O ATOM 1505 CB ARG A 95 14.828 6.356 2.498 1.00 0.00 C ATOM 1506 CG ARG A 95 16.320 6.026 2.433 1.00 0.00 C ATOM 1507 CD ARG A 95 16.546 4.531 2.478 1.00 0.00 C ATOM 1508 NE ARG A 95 17.946 4.148 2.664 1.00 0.00 N ATOM 1509 CZ ARG A 95 18.559 3.145 2.016 1.00 0.00 C ATOM 1510 NH1 ARG A 95 18.010 2.587 0.938 1.00 0.00 N ATOM 1511 NH2 ARG A 95 19.740 2.721 2.420 1.00 0.00 N ATOM 0 H ARG A 95 14.751 4.436 4.170 1.00 0.00 H new ATOM 0 HA ARG A 95 14.696 7.293 4.407 1.00 0.00 H new ATOM 0 HB2 ARG A 95 14.282 5.600 1.934 1.00 0.00 H new ATOM 0 HB3 ARG A 95 14.663 7.309 1.995 1.00 0.00 H new ATOM 0 HG2 ARG A 95 16.747 6.435 1.517 1.00 0.00 H new ATOM 0 HG3 ARG A 95 16.838 6.501 3.266 1.00 0.00 H new ATOM 0 HD2 ARG A 95 15.953 4.108 3.289 1.00 0.00 H new ATOM 0 HD3 ARG A 95 16.179 4.090 1.551 1.00 0.00 H new ATOM 0 HE ARG A 95 18.497 4.683 3.336 1.00 0.00 H new ATOM 0 HH11 ARG A 95 17.110 2.921 0.593 1.00 0.00 H new ATOM 0 HH12 ARG A 95 18.490 1.826 0.458 1.00 0.00 H new ATOM 0 HH21 ARG A 95 20.189 3.155 3.226 1.00 0.00 H new ATOM 0 HH22 ARG A 95 20.204 1.959 1.926 1.00 0.00 H new ATOM 1525 N ILE A 96 12.058 5.491 3.715 1.00 0.00 N ATOM 1526 CA ILE A 96 10.621 5.435 3.617 1.00 0.00 C ATOM 1527 C ILE A 96 9.966 5.924 4.935 1.00 0.00 C ATOM 1528 O ILE A 96 8.897 6.498 4.934 1.00 0.00 O ATOM 1529 CB ILE A 96 10.178 3.984 3.248 1.00 0.00 C ATOM 1530 CG1 ILE A 96 10.688 3.620 1.847 1.00 0.00 C ATOM 1531 CG2 ILE A 96 8.676 3.790 3.339 1.00 0.00 C ATOM 1532 CD1 ILE A 96 10.371 2.206 1.418 1.00 0.00 C ATOM 0 H ILE A 96 12.505 4.574 3.686 1.00 0.00 H new ATOM 0 HA ILE A 96 10.283 6.103 2.825 1.00 0.00 H new ATOM 0 HB ILE A 96 10.623 3.312 3.982 1.00 0.00 H new ATOM 0 HG12 ILE A 96 10.256 4.312 1.124 1.00 0.00 H new ATOM 0 HG13 ILE A 96 11.768 3.763 1.818 1.00 0.00 H new ATOM 0 HG21 ILE A 96 8.425 2.764 3.072 1.00 0.00 H new ATOM 0 HG22 ILE A 96 8.344 3.991 4.358 1.00 0.00 H new ATOM 0 HG23 ILE A 96 8.178 4.475 2.653 1.00 0.00 H new ATOM 0 HD11 ILE A 96 10.767 2.032 0.417 1.00 0.00 H new ATOM 0 HD12 ILE A 96 10.827 1.503 2.116 1.00 0.00 H new ATOM 0 HD13 ILE A 96 9.291 2.061 1.411 1.00 0.00 H new ATOM 1544 N LEU A 97 10.665 5.732 6.033 1.00 0.00 N ATOM 1545 CA LEU A 97 10.225 6.156 7.350 1.00 0.00 C ATOM 1546 C LEU A 97 10.194 7.676 7.420 1.00 0.00 C ATOM 1547 O LEU A 97 9.333 8.261 8.058 1.00 0.00 O ATOM 1548 CB LEU A 97 11.181 5.597 8.416 1.00 0.00 C ATOM 1549 CG LEU A 97 10.873 5.939 9.878 1.00 0.00 C ATOM 1550 CD1 LEU A 97 9.551 5.330 10.318 1.00 0.00 C ATOM 1551 CD2 LEU A 97 12.007 5.478 10.778 1.00 0.00 C ATOM 0 H LEU A 97 11.573 5.268 6.038 1.00 0.00 H new ATOM 0 HA LEU A 97 9.221 5.775 7.536 1.00 0.00 H new ATOM 0 HB2 LEU A 97 11.198 4.511 8.319 1.00 0.00 H new ATOM 0 HB3 LEU A 97 12.186 5.953 8.190 1.00 0.00 H new ATOM 0 HG LEU A 97 10.782 7.022 9.962 1.00 0.00 H new ATOM 0 HD11 LEU A 97 9.359 5.590 11.359 1.00 0.00 H new ATOM 0 HD12 LEU A 97 8.746 5.717 9.693 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.598 4.246 10.217 1.00 0.00 H new ATOM 0 HD21 LEU A 97 11.774 5.728 11.813 1.00 0.00 H new ATOM 0 HD22 LEU A 97 12.131 4.399 10.684 1.00 0.00 H new ATOM 0 HD23 LEU A 97 12.931 5.976 10.484 1.00 0.00 H new ATOM 1563 N GLU A 98 11.113 8.304 6.722 1.00 0.00 N ATOM 1564 CA GLU A 98 11.204 9.755 6.691 1.00 0.00 C ATOM 1565 C GLU A 98 10.177 10.297 5.703 1.00 0.00 C ATOM 1566 O GLU A 98 9.709 11.429 5.794 1.00 0.00 O ATOM 1567 CB GLU A 98 12.594 10.160 6.242 1.00 0.00 C ATOM 1568 CG GLU A 98 12.923 11.613 6.524 1.00 0.00 C ATOM 1569 CD GLU A 98 12.814 11.934 8.000 1.00 0.00 C ATOM 1570 OE1 GLU A 98 13.764 11.644 8.768 1.00 0.00 O ATOM 1571 OE2 GLU A 98 11.771 12.451 8.433 1.00 0.00 O ATOM 0 H GLU A 98 11.819 7.829 6.159 1.00 0.00 H new ATOM 0 HA GLU A 98 11.009 10.159 7.685 1.00 0.00 H new ATOM 0 HB2 GLU A 98 13.327 9.527 6.741 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.689 9.975 5.172 1.00 0.00 H new ATOM 0 HG2 GLU A 98 13.933 11.832 6.177 1.00 0.00 H new ATOM 0 HG3 GLU A 98 12.246 12.256 5.961 1.00 0.00 H new ATOM 1578 N VAL A 99 9.832 9.458 4.774 1.00 0.00 N ATOM 1579 CA VAL A 99 8.881 9.759 3.735 1.00 0.00 C ATOM 1580 C VAL A 99 7.457 9.305 4.198 1.00 0.00 C ATOM 1581 O VAL A 99 6.520 9.210 3.417 1.00 0.00 O ATOM 1582 CB VAL A 99 9.364 9.064 2.399 1.00 0.00 C ATOM 1583 CG1 VAL A 99 8.407 9.251 1.229 1.00 0.00 C ATOM 1584 CG2 VAL A 99 10.726 9.615 1.995 1.00 0.00 C ATOM 0 H VAL A 99 10.214 8.514 4.712 1.00 0.00 H new ATOM 0 HA VAL A 99 8.818 10.829 3.538 1.00 0.00 H new ATOM 0 HB VAL A 99 9.410 7.997 2.617 1.00 0.00 H new ATOM 0 HG11 VAL A 99 8.806 8.747 0.349 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.436 8.826 1.482 1.00 0.00 H new ATOM 0 HG13 VAL A 99 8.294 10.314 1.018 1.00 0.00 H new ATOM 0 HG21 VAL A 99 11.055 9.133 1.074 1.00 0.00 H new ATOM 0 HG22 VAL A 99 10.650 10.691 1.835 1.00 0.00 H new ATOM 0 HG23 VAL A 99 11.448 9.416 2.787 1.00 0.00 H new ATOM 1594 N ALA A 100 7.340 9.049 5.524 1.00 0.00 N ATOM 1595 CA ALA A 100 6.082 8.653 6.194 1.00 0.00 C ATOM 1596 C ALA A 100 4.881 9.472 5.746 1.00 0.00 C ATOM 1597 O ALA A 100 3.832 8.914 5.412 1.00 0.00 O ATOM 1598 CB ALA A 100 6.225 8.723 7.704 1.00 0.00 C ATOM 0 H ALA A 100 8.130 9.114 6.166 1.00 0.00 H new ATOM 0 HA ALA A 100 5.894 7.622 5.895 1.00 0.00 H new ATOM 0 HB1 ALA A 100 5.286 8.427 8.172 1.00 0.00 H new ATOM 0 HB2 ALA A 100 7.019 8.050 8.026 1.00 0.00 H new ATOM 0 HB3 ALA A 100 6.472 9.743 7.999 1.00 0.00 H new ATOM 1604 N GLU A 101 5.037 10.768 5.762 1.00 0.00 N ATOM 1605 CA GLU A 101 4.018 11.672 5.313 1.00 0.00 C ATOM 1606 C GLU A 101 4.682 12.973 4.795 1.00 0.00 C ATOM 1607 O GLU A 101 5.054 13.857 5.577 1.00 0.00 O ATOM 1608 CB GLU A 101 2.937 11.947 6.405 1.00 0.00 C ATOM 1609 CG GLU A 101 3.470 12.450 7.739 1.00 0.00 C ATOM 1610 CD GLU A 101 2.383 12.813 8.716 1.00 0.00 C ATOM 1611 OE1 GLU A 101 1.715 13.848 8.527 1.00 0.00 O ATOM 1612 OE2 GLU A 101 2.174 12.093 9.695 1.00 0.00 O ATOM 0 H GLU A 101 5.885 11.229 6.091 1.00 0.00 H new ATOM 0 HA GLU A 101 3.477 11.205 4.490 1.00 0.00 H new ATOM 0 HB2 GLU A 101 2.230 12.680 6.016 1.00 0.00 H new ATOM 0 HB3 GLU A 101 2.379 11.027 6.580 1.00 0.00 H new ATOM 0 HG2 GLU A 101 4.105 11.682 8.181 1.00 0.00 H new ATOM 0 HG3 GLU A 101 4.099 13.323 7.565 1.00 0.00 H new ATOM 1619 N PRO A 102 4.950 13.055 3.489 1.00 0.00 N ATOM 1620 CA PRO A 102 5.573 14.207 2.876 1.00 0.00 C ATOM 1621 C PRO A 102 4.544 15.165 2.245 1.00 0.00 C ATOM 1622 O PRO A 102 4.167 16.147 2.899 1.00 0.00 O ATOM 1623 CB PRO A 102 6.474 13.566 1.812 1.00 0.00 C ATOM 1624 CG PRO A 102 5.873 12.205 1.536 1.00 0.00 C ATOM 1625 CD PRO A 102 4.716 12.018 2.497 1.00 0.00 C ATOM 1626 OXT PRO A 102 4.082 14.926 1.109 1.00 0.00 O ATOM 0 HA PRO A 102 6.111 14.830 3.590 1.00 0.00 H new ATOM 0 HB2 PRO A 102 6.504 14.172 0.907 1.00 0.00 H new ATOM 0 HB3 PRO A 102 7.500 13.476 2.169 1.00 0.00 H new ATOM 0 HG2 PRO A 102 5.529 12.139 0.504 1.00 0.00 H new ATOM 0 HG3 PRO A 102 6.618 11.421 1.674 1.00 0.00 H new ATOM 0 HD2 PRO A 102 3.754 12.143 2.001 1.00 0.00 H new ATOM 0 HD3 PRO A 102 4.718 11.024 2.943 1.00 0.00 H new