USER MOD reduce.3.24.130724 H: found=0, std=0, add=788, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 788 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -136:sc= 0.124 (180deg=-0.19) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.175 X(o=-0.18,f=-0.18) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HE2:sc= -0.0536 K(o=-0.054,f=-1) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.00052) USER MOD Single : A 8 HIS : no HD1:sc= -0.0589 X(o=-0.059,f=-0.53) USER MOD Single : A 9 SER OG : rot 7:sc= 0.128 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl -172:sc= -0.0047 (180deg=-0.115) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.206 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -3.12! K(o=-3.1!,f=-0.1) USER MOD Single : A 26 ASN : amide:sc= -0.229 X(o=-0.23,f=-0.22) USER MOD Single : A 27 TYR OH : rot -170:sc= -0.447 USER MOD Single : A 29 SER OG : rot 78:sc= 0.679 USER MOD Single : A 30 LYS NZ :NH3+ 147:sc= 0.908 (180deg=0.297) USER MOD Single : A 40 ASN : amide:sc= -0.229 K(o=-0.23,f=-6!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0275 USER MOD Single : A 52 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0272) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.402 K(o=-0.4,f=0.67) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.121 X(o=-0.12,f=-0.055) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -1.3 K(o=-1.3,f=-0.56) USER MOD Single : A 76 THR OG1 : rot 79:sc= 1.01 USER MOD Single : A 78 GLN : amide:sc= -1.64 K(o=-1.6,f=-2.6) USER MOD Single : A 79 GLN : amide:sc= -0.686 K(o=-0.69,f=0) USER MOD Single : A 87 ASN : amide:sc= -0.79 K(o=-0.79,f=-2.3!) USER MOD Single : A 93 TYR OH : rot 66:sc= 0.119 USER MOD Single : A 97 SER OG : rot 180:sc= 0.24 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.917 18.068 -7.480 1.00 0.00 N ATOM 2 CA MET A 1 -5.666 19.488 -7.835 1.00 0.00 C ATOM 3 C MET A 1 -5.135 19.572 -9.278 1.00 0.00 C ATOM 4 O MET A 1 -5.050 18.549 -9.969 1.00 0.00 O ATOM 5 CB MET A 1 -4.666 20.114 -6.828 1.00 0.00 C ATOM 6 CG MET A 1 -5.137 20.099 -5.369 1.00 0.00 C ATOM 7 SD MET A 1 -3.927 20.824 -4.237 1.00 0.00 S ATOM 8 CE MET A 1 -4.714 20.595 -2.638 1.00 0.00 C ATOM 0 H1 MET A 1 -6.830 17.989 -6.987 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.940 17.493 -8.346 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.157 17.726 -6.858 1.00 0.00 H new ATOM 0 HA MET A 1 -6.597 20.053 -7.780 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.719 19.579 -6.896 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.471 21.145 -7.123 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.076 20.646 -5.289 1.00 0.00 H new ATOM 0 HG3 MET A 1 -5.340 19.071 -5.068 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.072 20.999 -1.855 1.00 0.00 H new ATOM 0 HE2 MET A 1 -5.672 21.115 -2.626 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.877 19.532 -2.461 1.00 0.00 H new ATOM 20 N GLY A 2 -4.799 20.797 -9.732 1.00 0.00 N ATOM 21 CA GLY A 2 -4.230 21.020 -11.068 1.00 0.00 C ATOM 22 C GLY A 2 -2.790 20.502 -11.182 1.00 0.00 C ATOM 23 O GLY A 2 -1.836 21.278 -11.056 1.00 0.00 O ATOM 0 H GLY A 2 -4.915 21.650 -9.185 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -4.852 20.524 -11.813 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -4.249 22.086 -11.295 1.00 0.00 H new ATOM 27 N HIS A 3 -2.662 19.172 -11.416 1.00 0.00 N ATOM 28 CA HIS A 3 -1.377 18.429 -11.454 1.00 0.00 C ATOM 29 C HIS A 3 -0.517 18.710 -10.195 1.00 0.00 C ATOM 30 O HIS A 3 -0.708 18.070 -9.157 1.00 0.00 O ATOM 31 CB HIS A 3 -0.590 18.689 -12.781 1.00 0.00 C ATOM 32 CG HIS A 3 -1.242 18.152 -14.026 1.00 0.00 C ATOM 33 ND1 HIS A 3 -1.103 16.845 -14.442 1.00 0.00 N ATOM 34 CD2 HIS A 3 -2.013 18.757 -14.967 1.00 0.00 C ATOM 35 CE1 HIS A 3 -1.754 16.673 -15.574 1.00 0.00 C ATOM 36 NE2 HIS A 3 -2.313 17.814 -15.916 1.00 0.00 N ATOM 0 H HIS A 3 -3.469 18.572 -11.588 1.00 0.00 H new ATOM 0 HA HIS A 3 -1.618 17.366 -11.441 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -0.450 19.764 -12.898 1.00 0.00 H new ATOM 0 HB3 HIS A 3 0.402 18.247 -12.689 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -2.331 19.789 -14.967 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -1.818 15.749 -16.129 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -2.877 17.971 -16.751 1.00 0.00 H new ATOM 45 N HIS A 4 0.383 19.709 -10.296 1.00 0.00 N ATOM 46 CA HIS A 4 1.260 20.148 -9.204 1.00 0.00 C ATOM 47 C HIS A 4 1.988 21.441 -9.648 1.00 0.00 C ATOM 48 O HIS A 4 2.875 21.413 -10.510 1.00 0.00 O ATOM 49 CB HIS A 4 2.272 19.033 -8.759 1.00 0.00 C ATOM 50 CG HIS A 4 3.250 18.586 -9.817 1.00 0.00 C ATOM 51 ND1 HIS A 4 4.582 18.940 -9.801 1.00 0.00 N ATOM 52 CD2 HIS A 4 3.090 17.808 -10.917 1.00 0.00 C ATOM 53 CE1 HIS A 4 5.187 18.412 -10.842 1.00 0.00 C ATOM 54 NE2 HIS A 4 4.310 17.722 -11.530 1.00 0.00 N ATOM 0 H HIS A 4 0.519 20.240 -11.156 1.00 0.00 H new ATOM 0 HA HIS A 4 0.651 20.353 -8.324 1.00 0.00 H new ATOM 0 HB2 HIS A 4 2.834 19.399 -7.900 1.00 0.00 H new ATOM 0 HB3 HIS A 4 1.705 18.165 -8.423 1.00 0.00 H new ATOM 0 HD2 HIS A 4 2.172 17.344 -11.247 1.00 0.00 H new ATOM 0 HE1 HIS A 4 6.232 18.527 -11.089 1.00 0.00 H new ATOM 0 HE2 HIS A 4 4.506 17.203 -12.386 1.00 0.00 H new ATOM 63 N HIS A 5 1.533 22.588 -9.126 1.00 0.00 N ATOM 64 CA HIS A 5 2.179 23.910 -9.326 1.00 0.00 C ATOM 65 C HIS A 5 2.103 24.688 -8.007 1.00 0.00 C ATOM 66 O HIS A 5 1.161 24.480 -7.234 1.00 0.00 O ATOM 67 CB HIS A 5 1.505 24.708 -10.480 1.00 0.00 C ATOM 68 CG HIS A 5 1.775 24.140 -11.853 1.00 0.00 C ATOM 69 ND1 HIS A 5 2.914 24.432 -12.569 1.00 0.00 N ATOM 70 CD2 HIS A 5 1.067 23.282 -12.631 1.00 0.00 C ATOM 71 CE1 HIS A 5 2.900 23.778 -13.708 1.00 0.00 C ATOM 72 NE2 HIS A 5 1.790 23.074 -13.777 1.00 0.00 N ATOM 0 H HIS A 5 0.696 22.634 -8.544 1.00 0.00 H new ATOM 0 HA HIS A 5 3.220 23.763 -9.614 1.00 0.00 H new ATOM 0 HB2 HIS A 5 0.428 24.732 -10.312 1.00 0.00 H new ATOM 0 HB3 HIS A 5 1.855 25.740 -10.449 1.00 0.00 H new ATOM 0 HD2 HIS A 5 0.110 22.844 -12.391 1.00 0.00 H new ATOM 0 HE1 HIS A 5 3.672 23.812 -14.463 1.00 0.00 H new ATOM 0 HE2 HIS A 5 1.514 22.474 -14.554 1.00 0.00 H new ATOM 81 N HIS A 6 3.112 25.563 -7.756 1.00 0.00 N ATOM 82 CA HIS A 6 3.295 26.297 -6.475 1.00 0.00 C ATOM 83 C HIS A 6 3.700 25.315 -5.347 1.00 0.00 C ATOM 84 O HIS A 6 3.218 24.181 -5.303 1.00 0.00 O ATOM 85 CB HIS A 6 2.025 27.127 -6.102 1.00 0.00 C ATOM 86 CG HIS A 6 2.108 27.884 -4.804 1.00 0.00 C ATOM 87 ND1 HIS A 6 1.932 27.282 -3.577 1.00 0.00 N ATOM 88 CD2 HIS A 6 2.327 29.194 -4.541 1.00 0.00 C ATOM 89 CE1 HIS A 6 2.046 28.179 -2.623 1.00 0.00 C ATOM 90 NE2 HIS A 6 2.280 29.347 -3.180 1.00 0.00 N ATOM 0 H HIS A 6 3.830 25.781 -8.446 1.00 0.00 H new ATOM 0 HA HIS A 6 4.106 27.014 -6.602 1.00 0.00 H new ATOM 0 HB2 HIS A 6 1.827 27.837 -6.905 1.00 0.00 H new ATOM 0 HB3 HIS A 6 1.171 26.452 -6.055 1.00 0.00 H new ATOM 0 HD1 HIS A 6 1.742 26.291 -3.431 1.00 0.00 H new ATOM 0 HD2 HIS A 6 2.505 29.973 -5.268 1.00 0.00 H new ATOM 0 HE1 HIS A 6 1.962 27.989 -1.563 1.00 0.00 H new ATOM 99 N HIS A 7 4.593 25.754 -4.438 1.00 0.00 N ATOM 100 CA HIS A 7 5.128 24.890 -3.365 1.00 0.00 C ATOM 101 C HIS A 7 4.012 24.433 -2.402 1.00 0.00 C ATOM 102 O HIS A 7 3.186 25.232 -1.959 1.00 0.00 O ATOM 103 CB HIS A 7 6.267 25.599 -2.581 1.00 0.00 C ATOM 104 CG HIS A 7 7.557 25.734 -3.354 1.00 0.00 C ATOM 105 ND1 HIS A 7 8.732 25.121 -2.968 1.00 0.00 N ATOM 106 CD2 HIS A 7 7.856 26.411 -4.488 1.00 0.00 C ATOM 107 CE1 HIS A 7 9.683 25.412 -3.829 1.00 0.00 C ATOM 108 NE2 HIS A 7 9.180 26.191 -4.761 1.00 0.00 N ATOM 0 H HIS A 7 4.961 26.705 -4.425 1.00 0.00 H new ATOM 0 HA HIS A 7 5.547 24.005 -3.843 1.00 0.00 H new ATOM 0 HB2 HIS A 7 5.927 26.592 -2.286 1.00 0.00 H new ATOM 0 HB3 HIS A 7 6.462 25.044 -1.664 1.00 0.00 H new ATOM 0 HD2 HIS A 7 7.175 27.014 -5.070 1.00 0.00 H new ATOM 0 HE1 HIS A 7 10.706 25.069 -3.779 1.00 0.00 H new ATOM 0 HE2 HIS A 7 9.692 26.570 -5.558 1.00 0.00 H new ATOM 117 N HIS A 8 4.002 23.128 -2.124 1.00 0.00 N ATOM 118 CA HIS A 8 3.095 22.489 -1.147 1.00 0.00 C ATOM 119 C HIS A 8 3.919 22.046 0.066 1.00 0.00 C ATOM 120 O HIS A 8 3.641 21.011 0.682 1.00 0.00 O ATOM 121 CB HIS A 8 2.343 21.293 -1.810 1.00 0.00 C ATOM 122 CG HIS A 8 1.380 21.709 -2.893 1.00 0.00 C ATOM 123 ND1 HIS A 8 1.766 21.949 -4.195 1.00 0.00 N ATOM 124 CD2 HIS A 8 0.044 21.937 -2.865 1.00 0.00 C ATOM 125 CE1 HIS A 8 0.715 22.300 -4.908 1.00 0.00 C ATOM 126 NE2 HIS A 8 -0.338 22.300 -4.126 1.00 0.00 N ATOM 0 H HIS A 8 4.633 22.466 -2.576 1.00 0.00 H new ATOM 0 HA HIS A 8 2.335 23.196 -0.814 1.00 0.00 H new ATOM 0 HB2 HIS A 8 3.075 20.604 -2.232 1.00 0.00 H new ATOM 0 HB3 HIS A 8 1.797 20.747 -1.041 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -0.601 21.848 -2.003 1.00 0.00 H new ATOM 0 HE1 HIS A 8 0.720 22.546 -5.960 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -1.289 22.533 -4.413 1.00 0.00 H new ATOM 135 N SER A 9 4.910 22.884 0.430 1.00 0.00 N ATOM 136 CA SER A 9 5.870 22.578 1.490 1.00 0.00 C ATOM 137 C SER A 9 5.226 22.722 2.882 1.00 0.00 C ATOM 138 O SER A 9 5.314 23.779 3.525 1.00 0.00 O ATOM 139 CB SER A 9 7.108 23.490 1.358 1.00 0.00 C ATOM 140 OG SER A 9 8.143 23.087 2.227 1.00 0.00 O ATOM 0 H SER A 9 5.061 23.792 -0.009 1.00 0.00 H new ATOM 0 HA SER A 9 6.186 21.540 1.382 1.00 0.00 H new ATOM 0 HB2 SER A 9 7.467 23.470 0.329 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.827 24.520 1.578 1.00 0.00 H new ATOM 0 HG SER A 9 7.897 22.242 2.659 1.00 0.00 H new ATOM 146 N HIS A 10 4.537 21.659 3.310 1.00 0.00 N ATOM 147 CA HIS A 10 3.944 21.555 4.649 1.00 0.00 C ATOM 148 C HIS A 10 4.828 20.614 5.473 1.00 0.00 C ATOM 149 O HIS A 10 4.561 19.409 5.588 1.00 0.00 O ATOM 150 CB HIS A 10 2.475 21.061 4.570 1.00 0.00 C ATOM 151 CG HIS A 10 1.558 21.978 3.790 1.00 0.00 C ATOM 152 ND1 HIS A 10 1.048 23.151 4.309 1.00 0.00 N ATOM 153 CD2 HIS A 10 1.068 21.898 2.523 1.00 0.00 C ATOM 154 CE1 HIS A 10 0.288 23.738 3.403 1.00 0.00 C ATOM 155 NE2 HIS A 10 0.284 23.000 2.318 1.00 0.00 N ATOM 0 H HIS A 10 4.373 20.836 2.730 1.00 0.00 H new ATOM 0 HA HIS A 10 3.905 22.532 5.131 1.00 0.00 H new ATOM 0 HB2 HIS A 10 2.459 20.072 4.111 1.00 0.00 H new ATOM 0 HB3 HIS A 10 2.085 20.949 5.582 1.00 0.00 H new ATOM 0 HD2 HIS A 10 1.262 21.110 1.811 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -0.242 24.670 3.533 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -0.223 23.214 1.459 1.00 0.00 H new ATOM 164 N MET A 11 5.937 21.190 5.969 1.00 0.00 N ATOM 165 CA MET A 11 6.992 20.459 6.689 1.00 0.00 C ATOM 166 C MET A 11 6.453 19.935 8.033 1.00 0.00 C ATOM 167 O MET A 11 6.605 18.756 8.361 1.00 0.00 O ATOM 168 CB MET A 11 8.221 21.381 6.914 1.00 0.00 C ATOM 169 CG MET A 11 8.793 22.007 5.627 1.00 0.00 C ATOM 170 SD MET A 11 9.226 20.780 4.369 1.00 0.00 S ATOM 171 CE MET A 11 10.507 19.826 5.189 1.00 0.00 C ATOM 0 H MET A 11 6.127 22.188 5.880 1.00 0.00 H new ATOM 0 HA MET A 11 7.305 19.605 6.088 1.00 0.00 H new ATOM 0 HB2 MET A 11 7.939 22.181 7.598 1.00 0.00 H new ATOM 0 HB3 MET A 11 9.007 20.805 7.404 1.00 0.00 H new ATOM 0 HG2 MET A 11 8.062 22.701 5.212 1.00 0.00 H new ATOM 0 HG3 MET A 11 9.679 22.590 5.877 1.00 0.00 H new ATOM 0 HE1 MET A 11 10.957 19.133 4.477 1.00 0.00 H new ATOM 0 HE2 MET A 11 11.273 20.500 5.573 1.00 0.00 H new ATOM 0 HE3 MET A 11 10.070 19.265 6.015 1.00 0.00 H new ATOM 181 N LYS A 12 5.804 20.839 8.784 1.00 0.00 N ATOM 182 CA LYS A 12 5.137 20.515 10.049 1.00 0.00 C ATOM 183 C LYS A 12 3.769 19.888 9.737 1.00 0.00 C ATOM 184 O LYS A 12 2.803 20.596 9.442 1.00 0.00 O ATOM 185 CB LYS A 12 4.968 21.789 10.918 1.00 0.00 C ATOM 186 CG LYS A 12 6.277 22.549 11.227 1.00 0.00 C ATOM 187 CD LYS A 12 6.045 23.793 12.128 1.00 0.00 C ATOM 188 CE LYS A 12 5.051 24.807 11.526 1.00 0.00 C ATOM 189 NZ LYS A 12 4.842 25.981 12.421 1.00 0.00 N ATOM 0 H LYS A 12 5.729 21.823 8.525 1.00 0.00 H new ATOM 0 HA LYS A 12 5.744 19.807 10.613 1.00 0.00 H new ATOM 0 HB2 LYS A 12 4.283 22.468 10.410 1.00 0.00 H new ATOM 0 HB3 LYS A 12 4.498 21.508 11.860 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.978 21.874 11.719 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.740 22.863 10.292 1.00 0.00 H new ATOM 0 HD2 LYS A 12 5.675 23.465 13.099 1.00 0.00 H new ATOM 0 HD3 LYS A 12 6.999 24.290 12.302 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.422 25.149 10.560 1.00 0.00 H new ATOM 0 HE3 LYS A 12 4.096 24.315 11.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 4.168 26.638 11.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 4.464 25.658 13.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.749 26.467 12.574 1.00 0.00 H new ATOM 203 N ARG A 13 3.741 18.555 9.723 1.00 0.00 N ATOM 204 CA ARG A 13 2.535 17.755 9.491 1.00 0.00 C ATOM 205 C ARG A 13 2.816 16.329 9.976 1.00 0.00 C ATOM 206 O ARG A 13 3.856 15.757 9.616 1.00 0.00 O ATOM 207 CB ARG A 13 2.139 17.775 7.983 1.00 0.00 C ATOM 208 CG ARG A 13 0.962 16.844 7.621 1.00 0.00 C ATOM 209 CD ARG A 13 0.576 16.884 6.138 1.00 0.00 C ATOM 210 NE ARG A 13 -0.002 18.185 5.742 1.00 0.00 N ATOM 211 CZ ARG A 13 -1.084 18.349 4.957 1.00 0.00 C ATOM 212 NH1 ARG A 13 -1.751 17.308 4.476 1.00 0.00 N ATOM 213 NH2 ARG A 13 -1.510 19.574 4.683 1.00 0.00 N ATOM 0 H ARG A 13 4.574 17.987 9.876 1.00 0.00 H new ATOM 0 HA ARG A 13 1.692 18.172 10.043 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.879 18.795 7.702 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.007 17.491 7.388 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.224 15.821 7.891 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.095 17.120 8.220 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.458 16.681 5.530 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.143 16.092 5.931 1.00 0.00 H new ATOM 0 HE ARG A 13 0.456 19.027 6.091 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.447 16.360 4.699 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.568 17.455 3.883 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -1.019 20.382 5.066 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -2.329 19.708 4.089 1.00 0.00 H new ATOM 227 N SER A 14 1.907 15.772 10.798 1.00 0.00 N ATOM 228 CA SER A 14 2.065 14.438 11.393 1.00 0.00 C ATOM 229 C SER A 14 1.836 13.344 10.327 1.00 0.00 C ATOM 230 O SER A 14 0.760 12.748 10.244 1.00 0.00 O ATOM 231 CB SER A 14 1.100 14.277 12.596 1.00 0.00 C ATOM 232 OG SER A 14 1.323 15.285 13.572 1.00 0.00 O ATOM 0 H SER A 14 1.041 16.239 11.067 1.00 0.00 H new ATOM 0 HA SER A 14 3.084 14.327 11.764 1.00 0.00 H new ATOM 0 HB2 SER A 14 0.068 14.327 12.247 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.237 13.294 13.047 1.00 0.00 H new ATOM 0 HG SER A 14 0.700 15.161 14.318 1.00 0.00 H new ATOM 238 N GLY A 15 2.870 13.117 9.503 1.00 0.00 N ATOM 239 CA GLY A 15 2.778 12.209 8.365 1.00 0.00 C ATOM 240 C GLY A 15 2.385 12.951 7.089 1.00 0.00 C ATOM 241 O GLY A 15 1.415 13.717 7.092 1.00 0.00 O ATOM 0 H GLY A 15 3.784 13.557 9.611 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.736 11.711 8.217 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.044 11.432 8.576 1.00 0.00 H new ATOM 245 N ARG A 16 3.096 12.686 5.983 1.00 0.00 N ATOM 246 CA ARG A 16 2.871 13.350 4.688 1.00 0.00 C ATOM 247 C ARG A 16 1.777 12.592 3.929 1.00 0.00 C ATOM 248 O ARG A 16 1.912 11.385 3.701 1.00 0.00 O ATOM 249 CB ARG A 16 4.175 13.343 3.840 1.00 0.00 C ATOM 250 CG ARG A 16 4.015 13.941 2.413 1.00 0.00 C ATOM 251 CD ARG A 16 5.208 13.640 1.490 1.00 0.00 C ATOM 252 NE ARG A 16 6.462 14.249 1.966 1.00 0.00 N ATOM 253 CZ ARG A 16 7.694 13.755 1.764 1.00 0.00 C ATOM 254 NH1 ARG A 16 7.883 12.617 1.100 1.00 0.00 N ATOM 255 NH2 ARG A 16 8.737 14.421 2.236 1.00 0.00 N ATOM 0 H ARG A 16 3.850 11.999 5.961 1.00 0.00 H new ATOM 0 HA ARG A 16 2.570 14.383 4.863 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.943 13.904 4.372 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.532 12.317 3.753 1.00 0.00 H new ATOM 0 HG2 ARG A 16 3.106 13.545 1.961 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.888 15.021 2.491 1.00 0.00 H new ATOM 0 HD2 ARG A 16 5.339 12.561 1.413 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.988 14.007 0.487 1.00 0.00 H new ATOM 0 HE ARG A 16 6.388 15.119 2.493 1.00 0.00 H new ATOM 0 HH11 ARG A 16 7.083 12.102 0.733 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.828 12.260 0.958 1.00 0.00 H new ATOM 0 HH21 ARG A 16 8.597 15.295 2.744 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.680 14.060 2.092 1.00 0.00 H new ATOM 269 N GLU A 17 0.697 13.290 3.543 1.00 0.00 N ATOM 270 CA GLU A 17 -0.321 12.721 2.657 1.00 0.00 C ATOM 271 C GLU A 17 0.253 12.693 1.230 1.00 0.00 C ATOM 272 O GLU A 17 0.847 13.672 0.773 1.00 0.00 O ATOM 273 CB GLU A 17 -1.636 13.538 2.690 1.00 0.00 C ATOM 274 CG GLU A 17 -2.781 12.887 1.875 1.00 0.00 C ATOM 275 CD GLU A 17 -4.024 13.771 1.779 1.00 0.00 C ATOM 276 OE1 GLU A 17 -4.858 13.733 2.703 1.00 0.00 O ATOM 277 OE2 GLU A 17 -4.163 14.513 0.780 1.00 0.00 O ATOM 0 H GLU A 17 0.510 14.250 3.833 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.567 11.714 2.995 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.957 13.655 3.725 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.445 14.538 2.300 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.423 12.663 0.870 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.052 11.937 2.335 1.00 0.00 H new ATOM 284 N ILE A 18 0.098 11.562 0.553 1.00 0.00 N ATOM 285 CA ILE A 18 0.609 11.321 -0.800 1.00 0.00 C ATOM 286 C ILE A 18 -0.538 10.800 -1.659 1.00 0.00 C ATOM 287 O ILE A 18 -1.607 10.459 -1.132 1.00 0.00 O ATOM 288 CB ILE A 18 1.800 10.283 -0.788 1.00 0.00 C ATOM 289 CG1 ILE A 18 1.339 8.868 -0.279 1.00 0.00 C ATOM 290 CG2 ILE A 18 2.980 10.810 0.059 1.00 0.00 C ATOM 291 CD1 ILE A 18 2.436 7.817 -0.269 1.00 0.00 C ATOM 0 H ILE A 18 -0.401 10.760 0.938 1.00 0.00 H new ATOM 0 HA ILE A 18 0.997 12.253 -1.210 1.00 0.00 H new ATOM 0 HB ILE A 18 2.138 10.166 -1.818 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.941 8.970 0.731 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.522 8.517 -0.909 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.788 10.078 0.052 1.00 0.00 H new ATOM 0 HG22 ILE A 18 3.338 11.750 -0.361 1.00 0.00 H new ATOM 0 HG23 ILE A 18 2.647 10.974 1.084 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.032 6.873 0.095 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.819 7.682 -1.280 1.00 0.00 H new ATOM 0 HD13 ILE A 18 3.245 8.142 0.385 1.00 0.00 H new ATOM 303 N THR A 19 -0.320 10.743 -2.973 1.00 0.00 N ATOM 304 CA THR A 19 -1.273 10.132 -3.901 1.00 0.00 C ATOM 305 C THR A 19 -1.012 8.617 -3.978 1.00 0.00 C ATOM 306 O THR A 19 0.074 8.146 -3.586 1.00 0.00 O ATOM 307 CB THR A 19 -1.177 10.775 -5.326 1.00 0.00 C ATOM 308 OG1 THR A 19 0.134 10.579 -5.876 1.00 0.00 O ATOM 309 CG2 THR A 19 -1.498 12.281 -5.296 1.00 0.00 C ATOM 0 H THR A 19 0.516 11.116 -3.422 1.00 0.00 H new ATOM 0 HA THR A 19 -2.282 10.311 -3.528 1.00 0.00 H new ATOM 0 HB THR A 19 -1.917 10.280 -5.954 1.00 0.00 H new ATOM 0 HG1 THR A 19 0.179 10.984 -6.767 1.00 0.00 H new ATOM 0 HG21 THR A 19 -1.420 12.690 -6.304 1.00 0.00 H new ATOM 0 HG22 THR A 19 -2.511 12.430 -4.921 1.00 0.00 H new ATOM 0 HG23 THR A 19 -0.790 12.791 -4.642 1.00 0.00 H new ATOM 317 N TRP A 20 -2.025 7.873 -4.460 1.00 0.00 N ATOM 318 CA TRP A 20 -1.931 6.428 -4.721 1.00 0.00 C ATOM 319 C TRP A 20 -0.697 6.098 -5.579 1.00 0.00 C ATOM 320 O TRP A 20 0.080 5.219 -5.226 1.00 0.00 O ATOM 321 CB TRP A 20 -3.229 5.907 -5.411 1.00 0.00 C ATOM 322 CG TRP A 20 -3.134 4.489 -5.932 1.00 0.00 C ATOM 323 CD1 TRP A 20 -3.030 4.100 -7.237 1.00 0.00 C ATOM 324 CD2 TRP A 20 -3.092 3.282 -5.153 1.00 0.00 C ATOM 325 NE1 TRP A 20 -2.956 2.738 -7.316 1.00 0.00 N ATOM 326 CE2 TRP A 20 -2.991 2.212 -6.054 1.00 0.00 C ATOM 327 CE3 TRP A 20 -3.138 3.004 -3.788 1.00 0.00 C ATOM 328 CZ2 TRP A 20 -2.943 0.887 -5.640 1.00 0.00 C ATOM 329 CZ3 TRP A 20 -3.083 1.687 -3.372 1.00 0.00 C ATOM 330 CH2 TRP A 20 -2.987 0.642 -4.294 1.00 0.00 C ATOM 0 H TRP A 20 -2.941 8.264 -4.681 1.00 0.00 H new ATOM 0 HA TRP A 20 -1.821 5.922 -3.762 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -4.053 5.965 -4.699 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -3.476 6.570 -6.240 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -3.009 4.771 -8.083 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -2.886 2.199 -8.179 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -3.215 3.804 -3.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -2.874 0.080 -6.354 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -3.115 1.462 -2.316 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -2.947 -0.377 -3.939 1.00 0.00 H new ATOM 341 N LYS A 21 -0.524 6.841 -6.686 1.00 0.00 N ATOM 342 CA LYS A 21 0.550 6.578 -7.646 1.00 0.00 C ATOM 343 C LYS A 21 1.914 7.043 -7.119 1.00 0.00 C ATOM 344 O LYS A 21 2.942 6.518 -7.561 1.00 0.00 O ATOM 345 CB LYS A 21 0.248 7.186 -9.033 1.00 0.00 C ATOM 346 CG LYS A 21 -0.950 6.521 -9.753 1.00 0.00 C ATOM 347 CD LYS A 21 -1.133 7.026 -11.205 1.00 0.00 C ATOM 348 CE LYS A 21 0.058 6.677 -12.124 1.00 0.00 C ATOM 349 NZ LYS A 21 -0.115 7.237 -13.490 1.00 0.00 N ATOM 0 H LYS A 21 -1.120 7.631 -6.934 1.00 0.00 H new ATOM 0 HA LYS A 21 0.599 5.496 -7.770 1.00 0.00 H new ATOM 0 HB2 LYS A 21 0.046 8.251 -8.918 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.134 7.096 -9.661 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.807 5.440 -9.764 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.861 6.716 -9.188 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.043 6.595 -11.621 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.269 8.107 -11.192 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.979 7.063 -11.687 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.164 5.594 -12.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.705 6.981 -14.076 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.981 6.850 -13.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -0.190 8.273 -13.434 1.00 0.00 H new ATOM 363 N ASP A 22 1.945 8.019 -6.180 1.00 0.00 N ATOM 364 CA ASP A 22 3.191 8.422 -5.495 1.00 0.00 C ATOM 365 C ASP A 22 3.698 7.257 -4.637 1.00 0.00 C ATOM 366 O ASP A 22 4.898 6.953 -4.616 1.00 0.00 O ATOM 367 CB ASP A 22 2.932 9.669 -4.609 1.00 0.00 C ATOM 368 CG ASP A 22 4.220 10.254 -4.012 1.00 0.00 C ATOM 369 OD1 ASP A 22 4.642 9.834 -2.917 1.00 0.00 O ATOM 370 OD2 ASP A 22 4.828 11.140 -4.653 1.00 0.00 O ATOM 0 H ASP A 22 1.120 8.540 -5.882 1.00 0.00 H new ATOM 0 HA ASP A 22 3.947 8.677 -6.238 1.00 0.00 H new ATOM 0 HB2 ASP A 22 2.433 10.434 -5.204 1.00 0.00 H new ATOM 0 HB3 ASP A 22 2.252 9.400 -3.801 1.00 0.00 H new ATOM 375 N PHE A 23 2.736 6.614 -3.944 1.00 0.00 N ATOM 376 CA PHE A 23 2.965 5.381 -3.187 1.00 0.00 C ATOM 377 C PHE A 23 3.548 4.280 -4.094 1.00 0.00 C ATOM 378 O PHE A 23 4.564 3.688 -3.751 1.00 0.00 O ATOM 379 CB PHE A 23 1.653 4.905 -2.490 1.00 0.00 C ATOM 380 CG PHE A 23 1.686 3.458 -2.005 1.00 0.00 C ATOM 381 CD1 PHE A 23 2.633 3.035 -1.065 1.00 0.00 C ATOM 382 CD2 PHE A 23 0.788 2.505 -2.508 1.00 0.00 C ATOM 383 CE1 PHE A 23 2.683 1.722 -0.655 1.00 0.00 C ATOM 384 CE2 PHE A 23 0.840 1.192 -2.086 1.00 0.00 C ATOM 385 CZ PHE A 23 1.787 0.805 -1.165 1.00 0.00 C ATOM 0 H PHE A 23 1.772 6.945 -3.898 1.00 0.00 H new ATOM 0 HA PHE A 23 3.697 5.591 -2.408 1.00 0.00 H new ATOM 0 HB2 PHE A 23 1.451 5.556 -1.639 1.00 0.00 H new ATOM 0 HB3 PHE A 23 0.823 5.023 -3.186 1.00 0.00 H new ATOM 0 HD1 PHE A 23 3.334 3.748 -0.656 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.047 2.802 -3.235 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.424 1.409 0.066 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.139 0.470 -2.478 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.829 -0.224 -0.839 1.00 0.00 H new ATOM 395 N VAL A 24 2.899 4.025 -5.246 1.00 0.00 N ATOM 396 CA VAL A 24 3.319 2.965 -6.184 1.00 0.00 C ATOM 397 C VAL A 24 4.771 3.186 -6.655 1.00 0.00 C ATOM 398 O VAL A 24 5.654 2.410 -6.317 1.00 0.00 O ATOM 399 CB VAL A 24 2.366 2.883 -7.438 1.00 0.00 C ATOM 400 CG1 VAL A 24 2.787 1.743 -8.400 1.00 0.00 C ATOM 401 CG2 VAL A 24 0.894 2.733 -7.003 1.00 0.00 C ATOM 0 H VAL A 24 2.075 4.543 -5.552 1.00 0.00 H new ATOM 0 HA VAL A 24 3.258 2.021 -5.642 1.00 0.00 H new ATOM 0 HB VAL A 24 2.460 3.820 -7.986 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.108 1.717 -9.252 1.00 0.00 H new ATOM 0 HG12 VAL A 24 3.803 1.920 -8.751 1.00 0.00 H new ATOM 0 HG13 VAL A 24 2.746 0.789 -7.874 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.257 2.679 -7.886 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.779 1.822 -6.416 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.604 3.593 -6.399 1.00 0.00 H new ATOM 411 N ASN A 25 5.000 4.321 -7.330 1.00 0.00 N ATOM 412 CA ASN A 25 6.240 4.578 -8.096 1.00 0.00 C ATOM 413 C ASN A 25 7.463 4.729 -7.170 1.00 0.00 C ATOM 414 O ASN A 25 8.517 4.126 -7.412 1.00 0.00 O ATOM 415 CB ASN A 25 6.081 5.842 -8.986 1.00 0.00 C ATOM 416 CG ASN A 25 5.025 5.720 -10.104 1.00 0.00 C ATOM 417 OD1 ASN A 25 5.190 6.284 -11.182 1.00 0.00 O ATOM 418 ND2 ASN A 25 3.914 5.028 -9.864 1.00 0.00 N ATOM 0 H ASN A 25 4.333 5.092 -7.364 1.00 0.00 H new ATOM 0 HA ASN A 25 6.412 3.713 -8.736 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.819 6.687 -8.349 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.045 6.073 -9.440 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.190 4.962 -10.579 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.787 4.563 -8.965 1.00 0.00 H new ATOM 425 N ASN A 26 7.301 5.519 -6.096 1.00 0.00 N ATOM 426 CA ASN A 26 8.419 5.897 -5.204 1.00 0.00 C ATOM 427 C ASN A 26 8.671 4.827 -4.136 1.00 0.00 C ATOM 428 O ASN A 26 9.813 4.598 -3.738 1.00 0.00 O ATOM 429 CB ASN A 26 8.132 7.258 -4.507 1.00 0.00 C ATOM 430 CG ASN A 26 7.846 8.404 -5.482 1.00 0.00 C ATOM 431 OD1 ASN A 26 8.337 8.431 -6.607 1.00 0.00 O ATOM 432 ND2 ASN A 26 7.050 9.353 -5.050 1.00 0.00 N ATOM 0 H ASN A 26 6.401 5.913 -5.820 1.00 0.00 H new ATOM 0 HA ASN A 26 9.310 5.988 -5.826 1.00 0.00 H new ATOM 0 HB2 ASN A 26 7.279 7.141 -3.839 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.988 7.526 -3.887 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.823 10.143 -5.654 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.658 9.301 -4.110 1.00 0.00 H new ATOM 439 N TYR A 27 7.611 4.160 -3.663 1.00 0.00 N ATOM 440 CA TYR A 27 7.701 3.330 -2.447 1.00 0.00 C ATOM 441 C TYR A 27 7.541 1.834 -2.763 1.00 0.00 C ATOM 442 O TYR A 27 8.503 1.053 -2.618 1.00 0.00 O ATOM 443 CB TYR A 27 6.668 3.826 -1.389 1.00 0.00 C ATOM 444 CG TYR A 27 6.921 5.271 -0.931 1.00 0.00 C ATOM 445 CD1 TYR A 27 7.974 5.567 -0.062 1.00 0.00 C ATOM 446 CD2 TYR A 27 6.132 6.338 -1.377 1.00 0.00 C ATOM 447 CE1 TYR A 27 8.223 6.858 0.341 1.00 0.00 C ATOM 448 CE2 TYR A 27 6.386 7.640 -0.967 1.00 0.00 C ATOM 449 CZ TYR A 27 7.433 7.888 -0.109 1.00 0.00 C ATOM 450 OH TYR A 27 7.686 9.175 0.310 1.00 0.00 O ATOM 0 H TYR A 27 6.688 4.176 -4.096 1.00 0.00 H new ATOM 0 HA TYR A 27 8.699 3.441 -2.023 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.664 3.755 -1.808 1.00 0.00 H new ATOM 0 HB3 TYR A 27 6.699 3.166 -0.522 1.00 0.00 H new ATOM 0 HD1 TYR A 27 8.604 4.768 0.300 1.00 0.00 H new ATOM 0 HD2 TYR A 27 5.311 6.145 -2.052 1.00 0.00 H new ATOM 0 HE1 TYR A 27 9.043 7.063 1.014 1.00 0.00 H new ATOM 0 HE2 TYR A 27 5.767 8.452 -1.319 1.00 0.00 H new ATOM 0 HH TYR A 27 6.950 9.760 0.033 1.00 0.00 H new ATOM 460 N LEU A 28 6.333 1.447 -3.210 1.00 0.00 N ATOM 461 CA LEU A 28 5.943 0.032 -3.358 1.00 0.00 C ATOM 462 C LEU A 28 6.782 -0.705 -4.421 1.00 0.00 C ATOM 463 O LEU A 28 7.287 -1.804 -4.159 1.00 0.00 O ATOM 464 CB LEU A 28 4.436 -0.103 -3.687 1.00 0.00 C ATOM 465 CG LEU A 28 3.872 -1.552 -3.539 1.00 0.00 C ATOM 466 CD1 LEU A 28 4.053 -2.068 -2.092 1.00 0.00 C ATOM 467 CD2 LEU A 28 2.402 -1.640 -3.981 1.00 0.00 C ATOM 0 H LEU A 28 5.601 2.104 -3.478 1.00 0.00 H new ATOM 0 HA LEU A 28 6.141 -0.441 -2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.872 0.562 -3.033 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.267 0.237 -4.709 1.00 0.00 H new ATOM 0 HG LEU A 28 4.446 -2.197 -4.204 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.653 -3.079 -2.013 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.113 -2.077 -1.839 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.521 -1.412 -1.403 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.047 -2.664 -3.863 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.797 -0.973 -3.367 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.318 -1.346 -5.027 1.00 0.00 H new ATOM 479 N SER A 29 6.921 -0.090 -5.604 1.00 0.00 N ATOM 480 CA SER A 29 7.684 -0.654 -6.733 1.00 0.00 C ATOM 481 C SER A 29 9.196 -0.764 -6.427 1.00 0.00 C ATOM 482 O SER A 29 9.908 -1.550 -7.062 1.00 0.00 O ATOM 483 CB SER A 29 7.459 0.216 -7.989 1.00 0.00 C ATOM 484 OG SER A 29 6.078 0.356 -8.273 1.00 0.00 O ATOM 0 H SER A 29 6.505 0.819 -5.808 1.00 0.00 H new ATOM 0 HA SER A 29 7.320 -1.667 -6.907 1.00 0.00 H new ATOM 0 HB2 SER A 29 7.904 1.200 -7.838 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.965 -0.235 -8.843 1.00 0.00 H new ATOM 0 HG SER A 29 5.686 1.021 -7.669 1.00 0.00 H new ATOM 490 N LYS A 30 9.673 0.027 -5.443 1.00 0.00 N ATOM 491 CA LYS A 30 11.089 0.047 -5.015 1.00 0.00 C ATOM 492 C LYS A 30 11.316 -0.822 -3.761 1.00 0.00 C ATOM 493 O LYS A 30 12.449 -0.935 -3.284 1.00 0.00 O ATOM 494 CB LYS A 30 11.540 1.512 -4.766 1.00 0.00 C ATOM 495 CG LYS A 30 11.677 2.346 -6.058 1.00 0.00 C ATOM 496 CD LYS A 30 12.124 3.797 -5.793 1.00 0.00 C ATOM 497 CE LYS A 30 12.399 4.585 -7.083 1.00 0.00 C ATOM 498 NZ LYS A 30 11.263 4.519 -8.045 1.00 0.00 N ATOM 0 H LYS A 30 9.083 0.674 -4.919 1.00 0.00 H new ATOM 0 HA LYS A 30 11.695 -0.381 -5.813 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.821 1.997 -4.105 1.00 0.00 H new ATOM 0 HB3 LYS A 30 12.498 1.505 -4.245 1.00 0.00 H new ATOM 0 HG2 LYS A 30 12.397 1.865 -6.720 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.721 2.356 -6.581 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.353 4.310 -5.218 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.025 3.788 -5.180 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.599 5.627 -6.833 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.298 4.193 -7.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.205 5.412 -8.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.415 3.732 -8.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 10.376 4.367 -7.524 1.00 0.00 H new ATOM 512 N GLY A 31 10.226 -1.430 -3.248 1.00 0.00 N ATOM 513 CA GLY A 31 10.273 -2.317 -2.082 1.00 0.00 C ATOM 514 C GLY A 31 10.768 -1.670 -0.785 1.00 0.00 C ATOM 515 O GLY A 31 11.226 -2.378 0.121 1.00 0.00 O ATOM 0 H GLY A 31 9.290 -1.315 -3.636 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.274 -2.717 -1.910 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.919 -3.163 -2.316 1.00 0.00 H new ATOM 519 N VAL A 32 10.655 -0.325 -0.675 1.00 0.00 N ATOM 520 CA VAL A 32 11.074 0.419 0.541 1.00 0.00 C ATOM 521 C VAL A 32 9.912 0.500 1.559 1.00 0.00 C ATOM 522 O VAL A 32 9.986 1.232 2.552 1.00 0.00 O ATOM 523 CB VAL A 32 11.631 1.851 0.188 1.00 0.00 C ATOM 524 CG1 VAL A 32 12.783 1.746 -0.837 1.00 0.00 C ATOM 525 CG2 VAL A 32 10.527 2.811 -0.307 1.00 0.00 C ATOM 0 H VAL A 32 10.277 0.269 -1.413 1.00 0.00 H new ATOM 0 HA VAL A 32 11.892 -0.134 1.003 1.00 0.00 H new ATOM 0 HB VAL A 32 12.023 2.281 1.110 1.00 0.00 H new ATOM 0 HG11 VAL A 32 13.155 2.744 -1.069 1.00 0.00 H new ATOM 0 HG12 VAL A 32 13.590 1.146 -0.417 1.00 0.00 H new ATOM 0 HG13 VAL A 32 12.417 1.274 -1.749 1.00 0.00 H new ATOM 0 HG21 VAL A 32 10.965 3.782 -0.536 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.064 2.401 -1.205 1.00 0.00 H new ATOM 0 HG23 VAL A 32 9.771 2.928 0.470 1.00 0.00 H new ATOM 535 N VAL A 33 8.861 -0.293 1.292 1.00 0.00 N ATOM 536 CA VAL A 33 7.709 -0.491 2.172 1.00 0.00 C ATOM 537 C VAL A 33 7.891 -1.810 2.944 1.00 0.00 C ATOM 538 O VAL A 33 8.308 -2.819 2.356 1.00 0.00 O ATOM 539 CB VAL A 33 6.367 -0.544 1.336 1.00 0.00 C ATOM 540 CG1 VAL A 33 5.118 -0.711 2.237 1.00 0.00 C ATOM 541 CG2 VAL A 33 6.225 0.709 0.450 1.00 0.00 C ATOM 0 H VAL A 33 8.793 -0.830 0.427 1.00 0.00 H new ATOM 0 HA VAL A 33 7.646 0.345 2.868 1.00 0.00 H new ATOM 0 HB VAL A 33 6.427 -1.425 0.697 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.223 -0.742 1.616 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.199 -1.639 2.803 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.052 0.130 2.927 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.295 0.651 -0.116 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.212 1.599 1.078 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.067 0.764 -0.240 1.00 0.00 H new ATOM 551 N ASP A 34 7.601 -1.788 4.252 1.00 0.00 N ATOM 552 CA ASP A 34 7.571 -2.986 5.107 1.00 0.00 C ATOM 553 C ASP A 34 6.165 -3.616 5.040 1.00 0.00 C ATOM 554 O ASP A 34 6.023 -4.818 4.794 1.00 0.00 O ATOM 555 CB ASP A 34 7.936 -2.594 6.561 1.00 0.00 C ATOM 556 CG ASP A 34 7.973 -3.783 7.544 1.00 0.00 C ATOM 557 OD1 ASP A 34 8.994 -4.493 7.596 1.00 0.00 O ATOM 558 OD2 ASP A 34 6.985 -4.005 8.280 1.00 0.00 O ATOM 0 H ASP A 34 7.378 -0.928 4.754 1.00 0.00 H new ATOM 0 HA ASP A 34 8.300 -3.718 4.758 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.911 -2.106 6.561 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.213 -1.861 6.921 1.00 0.00 H new ATOM 563 N ARG A 35 5.141 -2.757 5.227 1.00 0.00 N ATOM 564 CA ARG A 35 3.717 -3.168 5.277 1.00 0.00 C ATOM 565 C ARG A 35 2.774 -1.961 5.109 1.00 0.00 C ATOM 566 O ARG A 35 3.219 -0.809 5.073 1.00 0.00 O ATOM 567 CB ARG A 35 3.416 -3.916 6.614 1.00 0.00 C ATOM 568 CG ARG A 35 3.660 -3.104 7.904 1.00 0.00 C ATOM 569 CD ARG A 35 3.318 -3.905 9.173 1.00 0.00 C ATOM 570 NE ARG A 35 4.044 -5.201 9.236 1.00 0.00 N ATOM 571 CZ ARG A 35 4.850 -5.610 10.237 1.00 0.00 C ATOM 572 NH1 ARG A 35 5.075 -4.840 11.290 1.00 0.00 N ATOM 573 NH2 ARG A 35 5.419 -6.807 10.170 1.00 0.00 N ATOM 0 H ARG A 35 5.277 -1.753 5.348 1.00 0.00 H new ATOM 0 HA ARG A 35 3.535 -3.847 4.444 1.00 0.00 H new ATOM 0 HB2 ARG A 35 2.375 -4.240 6.602 1.00 0.00 H new ATOM 0 HB3 ARG A 35 4.029 -4.816 6.652 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.704 -2.794 7.943 1.00 0.00 H new ATOM 0 HG3 ARG A 35 3.059 -2.195 7.878 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.564 -3.310 10.053 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.244 -4.091 9.204 1.00 0.00 H new ATOM 0 HE ARG A 35 3.921 -5.839 8.450 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.636 -3.922 11.353 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.687 -5.165 12.038 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.245 -7.410 9.366 1.00 0.00 H new ATOM 0 HH22 ARG A 35 6.030 -7.124 10.923 1.00 0.00 H new ATOM 587 N LEU A 36 1.467 -2.254 4.982 1.00 0.00 N ATOM 588 CA LEU A 36 0.399 -1.245 4.871 1.00 0.00 C ATOM 589 C LEU A 36 -0.595 -1.398 6.024 1.00 0.00 C ATOM 590 O LEU A 36 -1.311 -2.398 6.100 1.00 0.00 O ATOM 591 CB LEU A 36 -0.320 -1.383 3.505 1.00 0.00 C ATOM 592 CG LEU A 36 0.547 -1.052 2.254 1.00 0.00 C ATOM 593 CD1 LEU A 36 -0.275 -1.204 0.959 1.00 0.00 C ATOM 594 CD2 LEU A 36 1.191 0.355 2.376 1.00 0.00 C ATOM 0 H LEU A 36 1.119 -3.212 4.953 1.00 0.00 H new ATOM 0 HA LEU A 36 0.841 -0.251 4.931 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.689 -2.404 3.410 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.191 -0.728 3.505 1.00 0.00 H new ATOM 0 HG LEU A 36 1.364 -1.772 2.204 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.353 -0.967 0.100 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.634 -2.230 0.874 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.125 -0.523 0.986 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.790 0.559 1.489 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.407 1.107 2.465 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.828 0.388 3.260 1.00 0.00 H new ATOM 606 N GLU A 37 -0.631 -0.399 6.911 1.00 0.00 N ATOM 607 CA GLU A 37 -1.507 -0.381 8.090 1.00 0.00 C ATOM 608 C GLU A 37 -2.752 0.485 7.811 1.00 0.00 C ATOM 609 O GLU A 37 -2.672 1.716 7.829 1.00 0.00 O ATOM 610 CB GLU A 37 -0.721 0.156 9.313 1.00 0.00 C ATOM 611 CG GLU A 37 0.550 -0.658 9.659 1.00 0.00 C ATOM 612 CD GLU A 37 1.250 -0.146 10.924 1.00 0.00 C ATOM 613 OE1 GLU A 37 2.096 0.771 10.828 1.00 0.00 O ATOM 614 OE2 GLU A 37 0.939 -0.634 12.030 1.00 0.00 O ATOM 0 H GLU A 37 -0.045 0.432 6.831 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.842 -1.395 8.310 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.435 1.190 9.121 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.381 0.163 10.180 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.281 -1.705 9.796 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.245 -0.614 8.820 1.00 0.00 H new ATOM 621 N VAL A 38 -3.906 -0.154 7.575 1.00 0.00 N ATOM 622 CA VAL A 38 -5.144 0.547 7.206 1.00 0.00 C ATOM 623 C VAL A 38 -5.862 0.964 8.504 1.00 0.00 C ATOM 624 O VAL A 38 -6.515 0.140 9.161 1.00 0.00 O ATOM 625 CB VAL A 38 -6.072 -0.346 6.302 1.00 0.00 C ATOM 626 CG1 VAL A 38 -7.298 0.445 5.785 1.00 0.00 C ATOM 627 CG2 VAL A 38 -5.272 -0.970 5.135 1.00 0.00 C ATOM 0 H VAL A 38 -4.008 -1.167 7.634 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.901 1.429 6.614 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.451 -1.159 6.921 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.915 -0.205 5.165 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.884 0.802 6.632 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.959 1.296 5.194 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.936 -1.583 4.525 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.845 -0.177 4.522 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.470 -1.591 5.535 1.00 0.00 H new ATOM 637 N VAL A 39 -5.695 2.241 8.882 1.00 0.00 N ATOM 638 CA VAL A 39 -6.101 2.769 10.193 1.00 0.00 C ATOM 639 C VAL A 39 -7.552 3.279 10.139 1.00 0.00 C ATOM 640 O VAL A 39 -7.889 4.134 9.296 1.00 0.00 O ATOM 641 CB VAL A 39 -5.140 3.923 10.640 1.00 0.00 C ATOM 642 CG1 VAL A 39 -5.540 4.513 12.016 1.00 0.00 C ATOM 643 CG2 VAL A 39 -3.666 3.442 10.629 1.00 0.00 C ATOM 0 H VAL A 39 -5.269 2.944 8.278 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.040 1.962 10.923 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.236 4.732 9.916 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -4.847 5.310 12.286 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.551 4.916 11.959 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.504 3.729 12.772 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -3.015 4.258 10.942 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.552 2.603 11.315 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.394 3.127 9.622 1.00 0.00 H new ATOM 653 N ASN A 40 -8.393 2.712 11.033 1.00 0.00 N ATOM 654 CA ASN A 40 -9.849 2.980 11.139 1.00 0.00 C ATOM 655 C ASN A 40 -10.601 2.772 9.811 1.00 0.00 C ATOM 656 O ASN A 40 -11.740 3.226 9.673 1.00 0.00 O ATOM 657 CB ASN A 40 -10.134 4.396 11.736 1.00 0.00 C ATOM 658 CG ASN A 40 -9.701 4.541 13.201 1.00 0.00 C ATOM 659 OD1 ASN A 40 -9.633 3.570 13.945 1.00 0.00 O ATOM 660 ND2 ASN A 40 -9.482 5.758 13.649 1.00 0.00 N ATOM 0 H ASN A 40 -8.069 2.034 11.723 1.00 0.00 H new ATOM 0 HA ASN A 40 -10.240 2.237 11.834 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -9.617 5.145 11.137 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -11.201 4.607 11.658 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -9.251 5.906 14.631 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.543 6.554 13.014 1.00 0.00 H new ATOM 667 N LYS A 41 -9.967 2.030 8.871 1.00 0.00 N ATOM 668 CA LYS A 41 -10.485 1.783 7.502 1.00 0.00 C ATOM 669 C LYS A 41 -10.762 3.088 6.698 1.00 0.00 C ATOM 670 O LYS A 41 -11.429 3.059 5.668 1.00 0.00 O ATOM 671 CB LYS A 41 -11.735 0.865 7.596 1.00 0.00 C ATOM 672 CG LYS A 41 -11.452 -0.506 8.256 1.00 0.00 C ATOM 673 CD LYS A 41 -12.731 -1.343 8.488 1.00 0.00 C ATOM 674 CE LYS A 41 -12.429 -2.708 9.124 1.00 0.00 C ATOM 675 NZ LYS A 41 -13.651 -3.524 9.323 1.00 0.00 N ATOM 0 H LYS A 41 -9.068 1.580 9.044 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.708 1.276 6.930 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -12.510 1.379 8.164 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -12.131 0.701 6.594 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.765 -1.071 7.626 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -10.951 -0.346 9.211 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.413 -0.788 9.132 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -13.241 -1.493 7.537 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.730 -3.254 8.490 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -11.936 -2.557 10.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.394 -4.435 9.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.309 -3.017 9.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.109 -3.693 8.405 1.00 0.00 H new ATOM 689 N ARG A 42 -10.214 4.220 7.163 1.00 0.00 N ATOM 690 CA ARG A 42 -10.379 5.531 6.505 1.00 0.00 C ATOM 691 C ARG A 42 -9.244 5.777 5.510 1.00 0.00 C ATOM 692 O ARG A 42 -9.440 6.402 4.457 1.00 0.00 O ATOM 693 CB ARG A 42 -10.403 6.648 7.578 1.00 0.00 C ATOM 694 CG ARG A 42 -11.566 6.534 8.583 1.00 0.00 C ATOM 695 CD ARG A 42 -11.546 7.616 9.675 1.00 0.00 C ATOM 696 NE ARG A 42 -12.739 7.516 10.533 1.00 0.00 N ATOM 697 CZ ARG A 42 -13.013 8.288 11.591 1.00 0.00 C ATOM 698 NH1 ARG A 42 -12.186 9.256 11.973 1.00 0.00 N ATOM 699 NH2 ARG A 42 -14.133 8.075 12.268 1.00 0.00 N ATOM 0 H ARG A 42 -9.642 4.256 8.007 1.00 0.00 H new ATOM 0 HA ARG A 42 -11.321 5.538 5.957 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.461 6.630 8.126 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.463 7.615 7.078 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -12.510 6.594 8.041 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.532 5.552 9.056 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.647 7.510 10.282 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -11.506 8.603 9.214 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.418 6.792 10.299 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.322 9.422 11.456 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.415 9.832 12.783 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -14.770 7.332 11.980 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.358 8.654 13.077 1.00 0.00 H new ATOM 713 N PHE A 43 -8.058 5.249 5.848 1.00 0.00 N ATOM 714 CA PHE A 43 -6.831 5.487 5.087 1.00 0.00 C ATOM 715 C PHE A 43 -5.828 4.368 5.328 1.00 0.00 C ATOM 716 O PHE A 43 -6.003 3.542 6.226 1.00 0.00 O ATOM 717 CB PHE A 43 -6.208 6.859 5.449 1.00 0.00 C ATOM 718 CG PHE A 43 -5.696 7.002 6.880 1.00 0.00 C ATOM 719 CD1 PHE A 43 -6.584 7.112 7.951 1.00 0.00 C ATOM 720 CD2 PHE A 43 -4.324 7.056 7.154 1.00 0.00 C ATOM 721 CE1 PHE A 43 -6.124 7.266 9.238 1.00 0.00 C ATOM 722 CE2 PHE A 43 -3.870 7.216 8.440 1.00 0.00 C ATOM 723 CZ PHE A 43 -4.770 7.322 9.481 1.00 0.00 C ATOM 0 H PHE A 43 -7.927 4.644 6.659 1.00 0.00 H new ATOM 0 HA PHE A 43 -7.089 5.502 4.028 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.380 7.052 4.767 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -6.954 7.633 5.272 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -7.648 7.076 7.767 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.614 6.971 6.344 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -6.824 7.343 10.057 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.809 7.259 8.637 1.00 0.00 H new ATOM 0 HZ PHE A 43 -4.410 7.450 10.491 1.00 0.00 H new ATOM 733 N VAL A 44 -4.759 4.393 4.529 1.00 0.00 N ATOM 734 CA VAL A 44 -3.668 3.427 4.581 1.00 0.00 C ATOM 735 C VAL A 44 -2.376 4.154 4.949 1.00 0.00 C ATOM 736 O VAL A 44 -2.030 5.162 4.330 1.00 0.00 O ATOM 737 CB VAL A 44 -3.497 2.697 3.204 1.00 0.00 C ATOM 738 CG1 VAL A 44 -2.348 1.663 3.246 1.00 0.00 C ATOM 739 CG2 VAL A 44 -4.821 2.042 2.779 1.00 0.00 C ATOM 0 H VAL A 44 -4.628 5.105 3.811 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.899 2.674 5.334 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.227 3.444 2.457 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.260 1.177 2.274 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.412 2.168 3.485 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.561 0.913 4.008 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.687 1.539 1.821 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.125 1.315 3.532 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -5.591 2.807 2.682 1.00 0.00 H new ATOM 749 N ARG A 45 -1.680 3.622 5.951 1.00 0.00 N ATOM 750 CA ARG A 45 -0.391 4.123 6.419 1.00 0.00 C ATOM 751 C ARG A 45 0.713 3.300 5.744 1.00 0.00 C ATOM 752 O ARG A 45 0.728 2.066 5.854 1.00 0.00 O ATOM 753 CB ARG A 45 -0.299 3.981 7.959 1.00 0.00 C ATOM 754 CG ARG A 45 1.042 4.447 8.569 1.00 0.00 C ATOM 755 CD ARG A 45 1.218 4.016 10.030 1.00 0.00 C ATOM 756 NE ARG A 45 0.178 4.552 10.923 1.00 0.00 N ATOM 757 CZ ARG A 45 -0.280 3.933 12.024 1.00 0.00 C ATOM 758 NH1 ARG A 45 0.198 2.749 12.388 1.00 0.00 N ATOM 759 NH2 ARG A 45 -1.205 4.523 12.770 1.00 0.00 N ATOM 0 H ARG A 45 -2.006 2.809 6.473 1.00 0.00 H new ATOM 0 HA ARG A 45 -0.279 5.177 6.166 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -1.108 4.554 8.412 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.460 2.936 8.225 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.864 4.045 7.976 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.105 5.533 8.506 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.208 2.927 10.084 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.195 4.344 10.383 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.224 5.460 10.689 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.922 2.298 11.829 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.159 2.291 13.226 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -1.564 5.441 12.506 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.557 4.059 13.607 1.00 0.00 H new ATOM 773 N VAL A 46 1.608 3.979 5.031 1.00 0.00 N ATOM 774 CA VAL A 46 2.756 3.347 4.375 1.00 0.00 C ATOM 775 C VAL A 46 3.890 3.225 5.399 1.00 0.00 C ATOM 776 O VAL A 46 4.425 4.242 5.873 1.00 0.00 O ATOM 777 CB VAL A 46 3.244 4.156 3.120 1.00 0.00 C ATOM 778 CG1 VAL A 46 4.403 3.429 2.390 1.00 0.00 C ATOM 779 CG2 VAL A 46 2.068 4.460 2.164 1.00 0.00 C ATOM 0 H VAL A 46 1.560 4.988 4.890 1.00 0.00 H new ATOM 0 HA VAL A 46 2.453 2.364 4.016 1.00 0.00 H new ATOM 0 HB VAL A 46 3.637 5.110 3.472 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.715 4.017 1.527 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.245 3.310 3.072 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.065 2.448 2.057 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.434 5.021 1.304 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.624 3.524 1.825 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.316 5.050 2.688 1.00 0.00 H new ATOM 789 N THR A 47 4.207 1.986 5.778 1.00 0.00 N ATOM 790 CA THR A 47 5.315 1.679 6.678 1.00 0.00 C ATOM 791 C THR A 47 6.580 1.453 5.846 1.00 0.00 C ATOM 792 O THR A 47 6.524 0.778 4.831 1.00 0.00 O ATOM 793 CB THR A 47 4.981 0.413 7.528 1.00 0.00 C ATOM 794 OG1 THR A 47 3.779 0.645 8.284 1.00 0.00 O ATOM 795 CG2 THR A 47 6.121 0.014 8.481 1.00 0.00 C ATOM 0 H THR A 47 3.696 1.161 5.465 1.00 0.00 H new ATOM 0 HA THR A 47 5.478 2.511 7.363 1.00 0.00 H new ATOM 0 HB THR A 47 4.842 -0.414 6.832 1.00 0.00 H new ATOM 0 HG1 THR A 47 3.569 -0.150 8.816 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.830 -0.872 9.045 1.00 0.00 H new ATOM 0 HG22 THR A 47 7.020 -0.202 7.903 1.00 0.00 H new ATOM 0 HG23 THR A 47 6.322 0.833 9.171 1.00 0.00 H new ATOM 803 N PHE A 48 7.686 2.080 6.252 1.00 0.00 N ATOM 804 CA PHE A 48 9.004 1.902 5.616 1.00 0.00 C ATOM 805 C PHE A 48 9.708 0.664 6.188 1.00 0.00 C ATOM 806 O PHE A 48 9.521 0.342 7.370 1.00 0.00 O ATOM 807 CB PHE A 48 9.879 3.155 5.846 1.00 0.00 C ATOM 808 CG PHE A 48 9.198 4.458 5.441 1.00 0.00 C ATOM 809 CD1 PHE A 48 9.269 4.932 4.133 1.00 0.00 C ATOM 810 CD2 PHE A 48 8.480 5.212 6.372 1.00 0.00 C ATOM 811 CE1 PHE A 48 8.653 6.112 3.771 1.00 0.00 C ATOM 812 CE2 PHE A 48 7.866 6.389 6.001 1.00 0.00 C ATOM 813 CZ PHE A 48 7.954 6.841 4.705 1.00 0.00 C ATOM 0 H PHE A 48 7.698 2.731 7.037 1.00 0.00 H new ATOM 0 HA PHE A 48 8.857 1.762 4.545 1.00 0.00 H new ATOM 0 HB2 PHE A 48 10.151 3.209 6.900 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.806 3.049 5.283 1.00 0.00 H new ATOM 0 HD1 PHE A 48 9.814 4.367 3.391 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.405 4.869 7.393 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.720 6.464 2.752 1.00 0.00 H new ATOM 0 HE2 PHE A 48 7.313 6.960 6.732 1.00 0.00 H new ATOM 0 HZ PHE A 48 7.475 7.767 4.421 1.00 0.00 H new ATOM 823 N THR A 49 10.495 -0.020 5.342 1.00 0.00 N ATOM 824 CA THR A 49 11.324 -1.169 5.747 1.00 0.00 C ATOM 825 C THR A 49 12.396 -0.718 6.794 1.00 0.00 C ATOM 826 O THR A 49 12.922 0.394 6.663 1.00 0.00 O ATOM 827 CB THR A 49 12.023 -1.808 4.483 1.00 0.00 C ATOM 828 OG1 THR A 49 11.191 -1.646 3.329 1.00 0.00 O ATOM 829 CG2 THR A 49 12.302 -3.307 4.645 1.00 0.00 C ATOM 0 H THR A 49 10.575 0.209 4.351 1.00 0.00 H new ATOM 0 HA THR A 49 10.683 -1.921 6.207 1.00 0.00 H new ATOM 0 HB THR A 49 12.974 -1.288 4.370 1.00 0.00 H new ATOM 0 HG1 THR A 49 11.633 -2.041 2.549 1.00 0.00 H new ATOM 0 HG21 THR A 49 12.783 -3.687 3.744 1.00 0.00 H new ATOM 0 HG22 THR A 49 12.959 -3.464 5.501 1.00 0.00 H new ATOM 0 HG23 THR A 49 11.363 -3.837 4.806 1.00 0.00 H new ATOM 837 N PRO A 50 12.708 -1.549 7.855 1.00 0.00 N ATOM 838 CA PRO A 50 13.752 -1.238 8.878 1.00 0.00 C ATOM 839 C PRO A 50 15.099 -0.795 8.256 1.00 0.00 C ATOM 840 O PRO A 50 15.659 -1.509 7.420 1.00 0.00 O ATOM 841 CB PRO A 50 13.907 -2.576 9.647 1.00 0.00 C ATOM 842 CG PRO A 50 12.565 -3.241 9.521 1.00 0.00 C ATOM 843 CD PRO A 50 12.031 -2.847 8.156 1.00 0.00 C ATOM 0 HA PRO A 50 13.462 -0.398 9.510 1.00 0.00 H new ATOM 0 HB2 PRO A 50 14.697 -3.192 9.217 1.00 0.00 H new ATOM 0 HB3 PRO A 50 14.169 -2.405 10.691 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.656 -4.324 9.607 1.00 0.00 H new ATOM 0 HG3 PRO A 50 11.891 -2.914 10.313 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.265 -3.601 7.405 1.00 0.00 H new ATOM 0 HD3 PRO A 50 10.947 -2.736 8.170 1.00 0.00 H new ATOM 851 N GLY A 51 15.578 0.398 8.647 1.00 0.00 N ATOM 852 CA GLY A 51 16.821 0.973 8.103 1.00 0.00 C ATOM 853 C GLY A 51 16.565 2.054 7.053 1.00 0.00 C ATOM 854 O GLY A 51 17.443 2.875 6.771 1.00 0.00 O ATOM 0 H GLY A 51 15.120 0.987 9.343 1.00 0.00 H new ATOM 0 HA2 GLY A 51 17.407 1.397 8.919 1.00 0.00 H new ATOM 0 HA3 GLY A 51 17.420 0.178 7.660 1.00 0.00 H new ATOM 858 N LYS A 52 15.361 2.031 6.458 1.00 0.00 N ATOM 859 CA LYS A 52 14.904 3.039 5.469 1.00 0.00 C ATOM 860 C LYS A 52 13.836 3.965 6.092 1.00 0.00 C ATOM 861 O LYS A 52 13.356 4.896 5.432 1.00 0.00 O ATOM 862 CB LYS A 52 14.336 2.311 4.216 1.00 0.00 C ATOM 863 CG LYS A 52 15.357 1.407 3.498 1.00 0.00 C ATOM 864 CD LYS A 52 14.775 0.703 2.254 1.00 0.00 C ATOM 865 CE LYS A 52 15.770 -0.291 1.627 1.00 0.00 C ATOM 866 NZ LYS A 52 17.044 0.354 1.217 1.00 0.00 N ATOM 0 H LYS A 52 14.666 1.308 6.647 1.00 0.00 H new ATOM 0 HA LYS A 52 15.750 3.658 5.170 1.00 0.00 H new ATOM 0 HB2 LYS A 52 13.480 1.707 4.517 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.968 3.057 3.511 1.00 0.00 H new ATOM 0 HG2 LYS A 52 16.217 2.007 3.199 1.00 0.00 H new ATOM 0 HG3 LYS A 52 15.721 0.654 4.197 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.863 0.175 2.532 1.00 0.00 H new ATOM 0 HD3 LYS A 52 14.496 1.452 1.512 1.00 0.00 H new ATOM 0 HE2 LYS A 52 15.983 -1.085 2.343 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.309 -0.761 0.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 17.642 -0.340 0.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 16.841 1.149 0.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 17.542 0.705 2.060 1.00 0.00 H new ATOM 880 N THR A 53 13.466 3.676 7.348 1.00 0.00 N ATOM 881 CA THR A 53 12.533 4.493 8.137 1.00 0.00 C ATOM 882 C THR A 53 13.212 5.839 8.543 1.00 0.00 C ATOM 883 O THR A 53 14.355 5.812 9.005 1.00 0.00 O ATOM 884 CB THR A 53 12.079 3.699 9.411 1.00 0.00 C ATOM 885 OG1 THR A 53 11.591 2.402 9.026 1.00 0.00 O ATOM 886 CG2 THR A 53 10.997 4.442 10.226 1.00 0.00 C ATOM 0 H THR A 53 13.811 2.858 7.851 1.00 0.00 H new ATOM 0 HA THR A 53 11.654 4.718 7.533 1.00 0.00 H new ATOM 0 HB THR A 53 12.953 3.600 10.055 1.00 0.00 H new ATOM 0 HG1 THR A 53 11.310 1.908 9.824 1.00 0.00 H new ATOM 0 HG21 THR A 53 10.722 3.845 11.095 1.00 0.00 H new ATOM 0 HG22 THR A 53 11.387 5.405 10.556 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.117 4.601 9.603 1.00 0.00 H new ATOM 894 N PRO A 54 12.538 7.027 8.340 1.00 0.00 N ATOM 895 CA PRO A 54 13.085 8.367 8.720 1.00 0.00 C ATOM 896 C PRO A 54 13.493 8.451 10.212 1.00 0.00 C ATOM 897 O PRO A 54 12.826 7.865 11.073 1.00 0.00 O ATOM 898 CB PRO A 54 11.914 9.345 8.395 1.00 0.00 C ATOM 899 CG PRO A 54 10.697 8.474 8.249 1.00 0.00 C ATOM 900 CD PRO A 54 11.208 7.171 7.691 1.00 0.00 C ATOM 0 HA PRO A 54 14.004 8.598 8.181 1.00 0.00 H new ATOM 0 HB2 PRO A 54 11.780 10.077 9.192 1.00 0.00 H new ATOM 0 HB3 PRO A 54 12.110 9.903 7.479 1.00 0.00 H new ATOM 0 HG2 PRO A 54 10.203 8.324 9.209 1.00 0.00 H new ATOM 0 HG3 PRO A 54 9.965 8.928 7.581 1.00 0.00 H new ATOM 0 HD2 PRO A 54 10.547 6.340 7.937 1.00 0.00 H new ATOM 0 HD3 PRO A 54 11.290 7.202 6.605 1.00 0.00 H new ATOM 908 N VAL A 55 14.586 9.193 10.490 1.00 0.00 N ATOM 909 CA VAL A 55 15.179 9.302 11.843 1.00 0.00 C ATOM 910 C VAL A 55 14.230 10.045 12.820 1.00 0.00 C ATOM 911 O VAL A 55 14.043 9.626 13.966 1.00 0.00 O ATOM 912 CB VAL A 55 16.600 10.006 11.797 1.00 0.00 C ATOM 913 CG1 VAL A 55 16.528 11.443 11.212 1.00 0.00 C ATOM 914 CG2 VAL A 55 17.287 9.991 13.192 1.00 0.00 C ATOM 0 H VAL A 55 15.084 9.734 9.783 1.00 0.00 H new ATOM 0 HA VAL A 55 15.318 8.288 12.217 1.00 0.00 H new ATOM 0 HB VAL A 55 17.220 9.422 11.117 1.00 0.00 H new ATOM 0 HG11 VAL A 55 17.526 11.882 11.202 1.00 0.00 H new ATOM 0 HG12 VAL A 55 16.139 11.403 10.195 1.00 0.00 H new ATOM 0 HG13 VAL A 55 15.869 12.054 11.829 1.00 0.00 H new ATOM 0 HG21 VAL A 55 18.258 10.481 13.125 1.00 0.00 H new ATOM 0 HG22 VAL A 55 16.662 10.521 13.911 1.00 0.00 H new ATOM 0 HG23 VAL A 55 17.423 8.960 13.520 1.00 0.00 H new ATOM 924 N ASP A 56 13.609 11.123 12.329 1.00 0.00 N ATOM 925 CA ASP A 56 12.699 11.977 13.112 1.00 0.00 C ATOM 926 C ASP A 56 11.309 11.340 13.214 1.00 0.00 C ATOM 927 O ASP A 56 10.681 11.356 14.280 1.00 0.00 O ATOM 928 CB ASP A 56 12.611 13.403 12.479 1.00 0.00 C ATOM 929 CG ASP A 56 12.092 13.421 11.022 1.00 0.00 C ATOM 930 OD1 ASP A 56 12.821 12.949 10.116 1.00 0.00 O ATOM 931 OD2 ASP A 56 10.949 13.871 10.777 1.00 0.00 O ATOM 0 H ASP A 56 13.724 11.434 11.364 1.00 0.00 H new ATOM 0 HA ASP A 56 13.100 12.073 14.121 1.00 0.00 H new ATOM 0 HB2 ASP A 56 11.956 14.021 13.093 1.00 0.00 H new ATOM 0 HB3 ASP A 56 13.599 13.862 12.506 1.00 0.00 H new ATOM 936 N GLY A 57 10.849 10.773 12.100 1.00 0.00 N ATOM 937 CA GLY A 57 9.507 10.225 11.985 1.00 0.00 C ATOM 938 C GLY A 57 8.813 10.803 10.770 1.00 0.00 C ATOM 939 O GLY A 57 9.466 11.007 9.748 1.00 0.00 O ATOM 0 H GLY A 57 11.404 10.682 11.249 1.00 0.00 H new ATOM 0 HA2 GLY A 57 9.555 9.139 11.904 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.934 10.453 12.884 1.00 0.00 H new ATOM 943 N GLN A 58 7.508 11.113 10.904 1.00 0.00 N ATOM 944 CA GLN A 58 6.634 11.535 9.793 1.00 0.00 C ATOM 945 C GLN A 58 6.631 10.474 8.670 1.00 0.00 C ATOM 946 O GLN A 58 7.437 10.542 7.731 1.00 0.00 O ATOM 947 CB GLN A 58 7.004 12.946 9.231 1.00 0.00 C ATOM 948 CG GLN A 58 6.932 14.095 10.252 1.00 0.00 C ATOM 949 CD GLN A 58 7.190 15.484 9.655 1.00 0.00 C ATOM 950 OE1 GLN A 58 6.657 16.485 10.137 1.00 0.00 O ATOM 951 NE2 GLN A 58 8.013 15.575 8.617 1.00 0.00 N ATOM 0 H GLN A 58 7.025 11.076 11.802 1.00 0.00 H new ATOM 0 HA GLN A 58 5.626 11.621 10.199 1.00 0.00 H new ATOM 0 HB2 GLN A 58 8.015 12.905 8.825 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.336 13.176 8.401 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.947 14.090 10.719 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.660 13.910 11.042 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.444 14.734 8.233 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.214 16.486 8.204 1.00 0.00 H new ATOM 960 N TYR A 59 5.761 9.464 8.818 1.00 0.00 N ATOM 961 CA TYR A 59 5.511 8.461 7.767 1.00 0.00 C ATOM 962 C TYR A 59 4.800 9.105 6.568 1.00 0.00 C ATOM 963 O TYR A 59 4.451 10.278 6.607 1.00 0.00 O ATOM 964 CB TYR A 59 4.681 7.273 8.338 1.00 0.00 C ATOM 965 CG TYR A 59 3.352 7.687 8.996 1.00 0.00 C ATOM 966 CD1 TYR A 59 2.194 7.930 8.238 1.00 0.00 C ATOM 967 CD2 TYR A 59 3.247 7.846 10.383 1.00 0.00 C ATOM 968 CE1 TYR A 59 1.012 8.315 8.835 1.00 0.00 C ATOM 969 CE2 TYR A 59 2.056 8.228 10.976 1.00 0.00 C ATOM 970 CZ TYR A 59 0.949 8.458 10.194 1.00 0.00 C ATOM 971 OH TYR A 59 -0.234 8.851 10.782 1.00 0.00 O ATOM 0 H TYR A 59 5.212 9.318 9.665 1.00 0.00 H new ATOM 0 HA TYR A 59 6.468 8.071 7.421 1.00 0.00 H new ATOM 0 HB2 TYR A 59 4.470 6.571 7.531 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.287 6.742 9.072 1.00 0.00 H new ATOM 0 HD1 TYR A 59 2.230 7.813 7.165 1.00 0.00 H new ATOM 0 HD2 TYR A 59 4.113 7.667 11.003 1.00 0.00 H new ATOM 0 HE1 TYR A 59 0.137 8.503 8.230 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.997 8.345 12.048 1.00 0.00 H new ATOM 0 HH TYR A 59 -0.114 8.905 11.753 1.00 0.00 H new ATOM 981 N VAL A 60 4.596 8.342 5.498 1.00 0.00 N ATOM 982 CA VAL A 60 3.726 8.763 4.383 1.00 0.00 C ATOM 983 C VAL A 60 2.464 7.888 4.390 1.00 0.00 C ATOM 984 O VAL A 60 2.486 6.767 4.914 1.00 0.00 O ATOM 985 CB VAL A 60 4.471 8.717 2.998 1.00 0.00 C ATOM 986 CG1 VAL A 60 5.641 9.736 2.965 1.00 0.00 C ATOM 987 CG2 VAL A 60 4.960 7.292 2.652 1.00 0.00 C ATOM 0 H VAL A 60 5.020 7.423 5.371 1.00 0.00 H new ATOM 0 HA VAL A 60 3.441 9.806 4.525 1.00 0.00 H new ATOM 0 HB VAL A 60 3.751 9.002 2.231 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.140 9.685 1.998 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.252 10.742 3.120 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.354 9.497 3.754 1.00 0.00 H new ATOM 0 HG21 VAL A 60 5.469 7.306 1.688 1.00 0.00 H new ATOM 0 HG22 VAL A 60 5.651 6.947 3.422 1.00 0.00 H new ATOM 0 HG23 VAL A 60 4.106 6.616 2.602 1.00 0.00 H new ATOM 997 N TRP A 61 1.360 8.428 3.861 1.00 0.00 N ATOM 998 CA TRP A 61 0.032 7.785 3.909 1.00 0.00 C ATOM 999 C TRP A 61 -0.875 8.387 2.830 1.00 0.00 C ATOM 1000 O TRP A 61 -0.583 9.455 2.304 1.00 0.00 O ATOM 1001 CB TRP A 61 -0.617 7.980 5.317 1.00 0.00 C ATOM 1002 CG TRP A 61 -0.964 9.423 5.640 1.00 0.00 C ATOM 1003 CD1 TRP A 61 -0.121 10.386 6.117 1.00 0.00 C ATOM 1004 CD2 TRP A 61 -2.249 10.059 5.498 1.00 0.00 C ATOM 1005 NE1 TRP A 61 -0.794 11.569 6.274 1.00 0.00 N ATOM 1006 CE2 TRP A 61 -2.103 11.389 5.907 1.00 0.00 C ATOM 1007 CE3 TRP A 61 -3.505 9.627 5.065 1.00 0.00 C ATOM 1008 CZ2 TRP A 61 -3.162 12.291 5.898 1.00 0.00 C ATOM 1009 CZ3 TRP A 61 -4.557 10.520 5.056 1.00 0.00 C ATOM 1010 CH2 TRP A 61 -4.381 11.839 5.473 1.00 0.00 C ATOM 0 H TRP A 61 1.358 9.329 3.383 1.00 0.00 H new ATOM 0 HA TRP A 61 0.152 6.717 3.725 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.523 7.377 5.375 1.00 0.00 H new ATOM 0 HB3 TRP A 61 0.067 7.602 6.077 1.00 0.00 H new ATOM 0 HD1 TRP A 61 0.925 10.236 6.339 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -0.387 12.442 6.610 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -3.651 8.607 4.741 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -3.026 13.314 6.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -5.530 10.193 4.721 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -5.222 12.516 5.460 1.00 0.00 H new ATOM 1021 N PHE A 62 -2.007 7.722 2.557 1.00 0.00 N ATOM 1022 CA PHE A 62 -3.011 8.194 1.582 1.00 0.00 C ATOM 1023 C PHE A 62 -4.418 7.765 2.029 1.00 0.00 C ATOM 1024 O PHE A 62 -4.602 6.642 2.521 1.00 0.00 O ATOM 1025 CB PHE A 62 -2.679 7.679 0.145 1.00 0.00 C ATOM 1026 CG PHE A 62 -2.465 6.171 0.031 1.00 0.00 C ATOM 1027 CD1 PHE A 62 -1.219 5.603 0.310 1.00 0.00 C ATOM 1028 CD2 PHE A 62 -3.505 5.316 -0.344 1.00 0.00 C ATOM 1029 CE1 PHE A 62 -1.025 4.239 0.219 1.00 0.00 C ATOM 1030 CE2 PHE A 62 -3.305 3.955 -0.429 1.00 0.00 C ATOM 1031 CZ PHE A 62 -2.064 3.416 -0.150 1.00 0.00 C ATOM 0 H PHE A 62 -2.256 6.840 3.005 1.00 0.00 H new ATOM 0 HA PHE A 62 -2.984 9.283 1.546 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -3.490 7.967 -0.524 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.780 8.186 -0.207 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -0.397 6.240 0.601 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -4.478 5.727 -0.570 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -0.055 3.817 0.438 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.121 3.308 -0.715 1.00 0.00 H new ATOM 0 HZ PHE A 62 -1.910 2.349 -0.221 1.00 0.00 H new ATOM 1041 N ASN A 63 -5.404 8.666 1.846 1.00 0.00 N ATOM 1042 CA ASN A 63 -6.799 8.435 2.261 1.00 0.00 C ATOM 1043 C ASN A 63 -7.540 7.655 1.167 1.00 0.00 C ATOM 1044 O ASN A 63 -7.520 8.044 -0.004 1.00 0.00 O ATOM 1045 CB ASN A 63 -7.510 9.776 2.615 1.00 0.00 C ATOM 1046 CG ASN A 63 -7.512 10.804 1.479 1.00 0.00 C ATOM 1047 OD1 ASN A 63 -8.413 10.820 0.641 1.00 0.00 O ATOM 1048 ND2 ASN A 63 -6.508 11.665 1.444 1.00 0.00 N ATOM 0 H ASN A 63 -5.254 9.574 1.406 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.808 7.833 3.169 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.540 9.564 2.900 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.022 10.214 3.486 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.465 12.369 0.707 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -5.777 11.625 2.154 1.00 0.00 H new ATOM 1055 N ILE A 64 -8.174 6.531 1.546 1.00 0.00 N ATOM 1056 CA ILE A 64 -8.815 5.614 0.577 1.00 0.00 C ATOM 1057 C ILE A 64 -10.347 5.752 0.589 1.00 0.00 C ATOM 1058 O ILE A 64 -10.973 5.767 -0.475 1.00 0.00 O ATOM 1059 CB ILE A 64 -8.407 4.113 0.824 1.00 0.00 C ATOM 1060 CG1 ILE A 64 -8.768 3.651 2.274 1.00 0.00 C ATOM 1061 CG2 ILE A 64 -6.902 3.917 0.536 1.00 0.00 C ATOM 1062 CD1 ILE A 64 -8.532 2.186 2.557 1.00 0.00 C ATOM 0 H ILE A 64 -8.258 6.232 2.518 1.00 0.00 H new ATOM 0 HA ILE A 64 -8.450 5.907 -0.407 1.00 0.00 H new ATOM 0 HB ILE A 64 -8.977 3.488 0.137 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -8.185 4.240 2.982 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -9.818 3.876 2.460 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -6.631 2.876 0.710 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -6.693 4.178 -0.501 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.319 4.559 1.196 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.812 1.965 3.587 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.136 1.583 1.879 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -7.478 1.952 2.410 1.00 0.00 H new ATOM 1074 N GLY A 65 -10.938 5.885 1.791 1.00 0.00 N ATOM 1075 CA GLY A 65 -12.393 5.835 1.950 1.00 0.00 C ATOM 1076 C GLY A 65 -12.955 4.451 1.636 1.00 0.00 C ATOM 1077 O GLY A 65 -13.215 3.655 2.544 1.00 0.00 O ATOM 0 H GLY A 65 -10.426 6.027 2.662 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.656 6.110 2.972 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.855 6.572 1.293 1.00 0.00 H new ATOM 1081 N SER A 66 -13.120 4.170 0.331 1.00 0.00 N ATOM 1082 CA SER A 66 -13.529 2.858 -0.174 1.00 0.00 C ATOM 1083 C SER A 66 -12.375 1.848 -0.007 1.00 0.00 C ATOM 1084 O SER A 66 -11.452 1.800 -0.838 1.00 0.00 O ATOM 1085 CB SER A 66 -13.927 2.990 -1.658 1.00 0.00 C ATOM 1086 OG SER A 66 -14.954 3.957 -1.844 1.00 0.00 O ATOM 0 H SER A 66 -12.970 4.859 -0.406 1.00 0.00 H new ATOM 0 HA SER A 66 -14.386 2.494 0.393 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.053 3.270 -2.246 1.00 0.00 H new ATOM 0 HB3 SER A 66 -14.265 2.023 -2.031 1.00 0.00 H new ATOM 0 HG SER A 66 -15.180 4.015 -2.796 1.00 0.00 H new ATOM 1092 N VAL A 67 -12.424 1.091 1.111 1.00 0.00 N ATOM 1093 CA VAL A 67 -11.439 0.034 1.429 1.00 0.00 C ATOM 1094 C VAL A 67 -11.461 -1.053 0.365 1.00 0.00 C ATOM 1095 O VAL A 67 -10.411 -1.534 -0.053 1.00 0.00 O ATOM 1096 CB VAL A 67 -11.683 -0.622 2.835 1.00 0.00 C ATOM 1097 CG1 VAL A 67 -10.619 -1.714 3.143 1.00 0.00 C ATOM 1098 CG2 VAL A 67 -11.704 0.459 3.924 1.00 0.00 C ATOM 0 H VAL A 67 -13.150 1.196 1.820 1.00 0.00 H new ATOM 0 HA VAL A 67 -10.464 0.521 1.451 1.00 0.00 H new ATOM 0 HB VAL A 67 -12.654 -1.116 2.820 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -10.816 -2.148 4.123 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.668 -2.495 2.384 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -9.626 -1.266 3.138 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.874 -0.006 4.895 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -10.748 0.983 3.935 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.505 1.169 3.717 1.00 0.00 H new ATOM 1108 N ASP A 68 -12.677 -1.397 -0.087 1.00 0.00 N ATOM 1109 CA ASP A 68 -12.912 -2.452 -1.081 1.00 0.00 C ATOM 1110 C ASP A 68 -12.161 -2.142 -2.379 1.00 0.00 C ATOM 1111 O ASP A 68 -11.503 -3.011 -2.948 1.00 0.00 O ATOM 1112 CB ASP A 68 -14.433 -2.587 -1.363 1.00 0.00 C ATOM 1113 CG ASP A 68 -15.263 -2.812 -0.085 1.00 0.00 C ATOM 1114 OD1 ASP A 68 -15.612 -1.819 0.591 1.00 0.00 O ATOM 1115 OD2 ASP A 68 -15.546 -3.975 0.262 1.00 0.00 O ATOM 0 H ASP A 68 -13.533 -0.944 0.232 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.540 -3.396 -0.682 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.785 -1.686 -1.865 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.598 -3.419 -2.048 1.00 0.00 H new ATOM 1120 N THR A 69 -12.254 -0.866 -2.803 1.00 0.00 N ATOM 1121 CA THR A 69 -11.598 -0.363 -4.008 1.00 0.00 C ATOM 1122 C THR A 69 -10.063 -0.379 -3.841 1.00 0.00 C ATOM 1123 O THR A 69 -9.349 -0.747 -4.777 1.00 0.00 O ATOM 1124 CB THR A 69 -12.106 1.073 -4.348 1.00 0.00 C ATOM 1125 OG1 THR A 69 -13.553 1.091 -4.313 1.00 0.00 O ATOM 1126 CG2 THR A 69 -11.627 1.535 -5.733 1.00 0.00 C ATOM 0 H THR A 69 -12.794 -0.156 -2.308 1.00 0.00 H new ATOM 0 HA THR A 69 -11.853 -1.020 -4.839 1.00 0.00 H new ATOM 0 HB THR A 69 -11.697 1.757 -3.605 1.00 0.00 H new ATOM 0 HG1 THR A 69 -13.874 1.992 -4.525 1.00 0.00 H new ATOM 0 HG21 THR A 69 -12.002 2.539 -5.931 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.537 1.543 -5.757 1.00 0.00 H new ATOM 0 HG23 THR A 69 -12.001 0.851 -6.494 1.00 0.00 H new ATOM 1134 N PHE A 70 -9.578 0.000 -2.628 1.00 0.00 N ATOM 1135 CA PHE A 70 -8.148 -0.093 -2.261 1.00 0.00 C ATOM 1136 C PHE A 70 -7.635 -1.530 -2.443 1.00 0.00 C ATOM 1137 O PHE A 70 -6.576 -1.729 -3.028 1.00 0.00 O ATOM 1138 CB PHE A 70 -7.889 0.384 -0.797 1.00 0.00 C ATOM 1139 CG PHE A 70 -6.517 -0.019 -0.232 1.00 0.00 C ATOM 1140 CD1 PHE A 70 -5.336 0.525 -0.749 1.00 0.00 C ATOM 1141 CD2 PHE A 70 -6.402 -0.979 0.786 1.00 0.00 C ATOM 1142 CE1 PHE A 70 -4.098 0.126 -0.268 1.00 0.00 C ATOM 1143 CE2 PHE A 70 -5.162 -1.367 1.267 1.00 0.00 C ATOM 1144 CZ PHE A 70 -4.015 -0.820 0.736 1.00 0.00 C ATOM 0 H PHE A 70 -10.167 0.376 -1.885 1.00 0.00 H new ATOM 0 HA PHE A 70 -7.601 0.571 -2.930 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -7.979 1.470 -0.760 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -8.668 -0.023 -0.152 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.389 1.266 -1.533 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.295 -1.422 1.201 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -3.196 0.556 -0.679 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.095 -2.099 2.059 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.049 -1.131 1.105 1.00 0.00 H new ATOM 1154 N GLU A 71 -8.426 -2.508 -1.948 1.00 0.00 N ATOM 1155 CA GLU A 71 -8.067 -3.936 -1.966 1.00 0.00 C ATOM 1156 C GLU A 71 -7.961 -4.430 -3.410 1.00 0.00 C ATOM 1157 O GLU A 71 -6.987 -5.092 -3.751 1.00 0.00 O ATOM 1158 CB GLU A 71 -9.103 -4.776 -1.172 1.00 0.00 C ATOM 1159 CG GLU A 71 -9.206 -4.390 0.310 1.00 0.00 C ATOM 1160 CD GLU A 71 -10.294 -5.158 1.060 1.00 0.00 C ATOM 1161 OE1 GLU A 71 -11.479 -4.815 0.910 1.00 0.00 O ATOM 1162 OE2 GLU A 71 -9.981 -6.116 1.790 1.00 0.00 O ATOM 0 H GLU A 71 -9.335 -2.324 -1.524 1.00 0.00 H new ATOM 0 HA GLU A 71 -7.098 -4.058 -1.482 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.082 -4.662 -1.637 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.836 -5.830 -1.246 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.245 -4.570 0.793 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.406 -3.321 0.387 1.00 0.00 H new ATOM 1169 N ARG A 72 -8.958 -4.045 -4.254 1.00 0.00 N ATOM 1170 CA ARG A 72 -8.995 -4.416 -5.688 1.00 0.00 C ATOM 1171 C ARG A 72 -7.752 -3.907 -6.426 1.00 0.00 C ATOM 1172 O ARG A 72 -7.061 -4.671 -7.106 1.00 0.00 O ATOM 1173 CB ARG A 72 -10.275 -3.875 -6.395 1.00 0.00 C ATOM 1174 CG ARG A 72 -11.628 -4.350 -5.821 1.00 0.00 C ATOM 1175 CD ARG A 72 -11.796 -5.884 -5.739 1.00 0.00 C ATOM 1176 NE ARG A 72 -11.125 -6.469 -4.560 1.00 0.00 N ATOM 1177 CZ ARG A 72 -10.331 -7.546 -4.575 1.00 0.00 C ATOM 1178 NH1 ARG A 72 -10.067 -8.199 -5.697 1.00 0.00 N ATOM 1179 NH2 ARG A 72 -9.794 -7.974 -3.446 1.00 0.00 N ATOM 0 H ARG A 72 -9.750 -3.474 -3.958 1.00 0.00 H new ATOM 0 HA ARG A 72 -9.013 -5.505 -5.726 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.251 -2.786 -6.358 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -10.231 -4.159 -7.446 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -11.749 -3.932 -4.822 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -12.430 -3.943 -6.437 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -12.858 -6.128 -5.706 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -11.393 -6.338 -6.644 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.280 -6.014 -3.660 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.473 -7.884 -6.578 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -9.458 -9.017 -5.680 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -9.986 -7.484 -2.572 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -9.188 -8.794 -3.448 1.00 0.00 H new ATOM 1193 N ASN A 73 -7.475 -2.604 -6.253 1.00 0.00 N ATOM 1194 CA ASN A 73 -6.372 -1.907 -6.934 1.00 0.00 C ATOM 1195 C ASN A 73 -5.021 -2.460 -6.467 1.00 0.00 C ATOM 1196 O ASN A 73 -4.117 -2.648 -7.271 1.00 0.00 O ATOM 1197 CB ASN A 73 -6.464 -0.375 -6.673 1.00 0.00 C ATOM 1198 CG ASN A 73 -7.752 0.253 -7.220 1.00 0.00 C ATOM 1199 OD1 ASN A 73 -8.311 -0.193 -8.222 1.00 0.00 O ATOM 1200 ND2 ASN A 73 -8.245 1.275 -6.538 1.00 0.00 N ATOM 0 H ASN A 73 -8.014 -2.001 -5.632 1.00 0.00 H new ATOM 0 HA ASN A 73 -6.456 -2.079 -8.007 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -6.405 -0.191 -5.600 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -5.605 0.117 -7.129 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -9.113 1.717 -6.839 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -7.756 1.620 -5.712 1.00 0.00 H new ATOM 1207 N LEU A 74 -4.920 -2.726 -5.159 1.00 0.00 N ATOM 1208 CA LEU A 74 -3.710 -3.269 -4.530 1.00 0.00 C ATOM 1209 C LEU A 74 -3.340 -4.658 -5.083 1.00 0.00 C ATOM 1210 O LEU A 74 -2.197 -4.873 -5.477 1.00 0.00 O ATOM 1211 CB LEU A 74 -3.904 -3.343 -2.999 1.00 0.00 C ATOM 1212 CG LEU A 74 -2.699 -3.910 -2.179 1.00 0.00 C ATOM 1213 CD1 LEU A 74 -1.455 -2.997 -2.260 1.00 0.00 C ATOM 1214 CD2 LEU A 74 -3.108 -4.174 -0.729 1.00 0.00 C ATOM 0 H LEU A 74 -5.684 -2.569 -4.501 1.00 0.00 H new ATOM 0 HA LEU A 74 -2.886 -2.596 -4.766 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.127 -2.341 -2.633 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.779 -3.959 -2.794 1.00 0.00 H new ATOM 0 HG LEU A 74 -2.416 -4.861 -2.631 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -0.645 -3.433 -1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.141 -2.901 -3.299 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.700 -2.012 -1.863 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.255 -4.568 -0.176 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.440 -3.243 -0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.921 -4.899 -0.707 1.00 0.00 H new ATOM 1226 N GLU A 75 -4.319 -5.593 -5.121 1.00 0.00 N ATOM 1227 CA GLU A 75 -4.059 -6.990 -5.532 1.00 0.00 C ATOM 1228 C GLU A 75 -3.767 -7.095 -7.047 1.00 0.00 C ATOM 1229 O GLU A 75 -2.956 -7.930 -7.475 1.00 0.00 O ATOM 1230 CB GLU A 75 -5.206 -7.935 -5.050 1.00 0.00 C ATOM 1231 CG GLU A 75 -6.646 -7.607 -5.523 1.00 0.00 C ATOM 1232 CD GLU A 75 -7.064 -8.269 -6.848 1.00 0.00 C ATOM 1233 OE1 GLU A 75 -7.471 -9.449 -6.831 1.00 0.00 O ATOM 1234 OE2 GLU A 75 -7.020 -7.615 -7.901 1.00 0.00 O ATOM 0 H GLU A 75 -5.290 -5.405 -4.873 1.00 0.00 H new ATOM 0 HA GLU A 75 -3.150 -7.332 -5.036 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -4.967 -8.948 -5.375 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -5.202 -7.941 -3.960 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -7.346 -7.913 -4.745 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.740 -6.526 -5.629 1.00 0.00 H new ATOM 1241 N THR A 76 -4.412 -6.217 -7.841 1.00 0.00 N ATOM 1242 CA THR A 76 -4.108 -6.051 -9.280 1.00 0.00 C ATOM 1243 C THR A 76 -2.667 -5.524 -9.454 1.00 0.00 C ATOM 1244 O THR A 76 -1.901 -6.027 -10.277 1.00 0.00 O ATOM 1245 CB THR A 76 -5.119 -5.065 -9.971 1.00 0.00 C ATOM 1246 OG1 THR A 76 -6.462 -5.506 -9.732 1.00 0.00 O ATOM 1247 CG2 THR A 76 -4.892 -4.964 -11.489 1.00 0.00 C ATOM 0 H THR A 76 -5.156 -5.604 -7.506 1.00 0.00 H new ATOM 0 HA THR A 76 -4.204 -7.026 -9.758 1.00 0.00 H new ATOM 0 HB THR A 76 -4.953 -4.078 -9.539 1.00 0.00 H new ATOM 0 HG1 THR A 76 -6.735 -5.247 -8.827 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.615 -4.271 -11.920 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.882 -4.602 -11.683 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.018 -5.947 -11.942 1.00 0.00 H new ATOM 1255 N LEU A 77 -2.335 -4.521 -8.628 1.00 0.00 N ATOM 1256 CA LEU A 77 -1.021 -3.854 -8.616 1.00 0.00 C ATOM 1257 C LEU A 77 0.107 -4.827 -8.235 1.00 0.00 C ATOM 1258 O LEU A 77 1.203 -4.739 -8.780 1.00 0.00 O ATOM 1259 CB LEU A 77 -1.045 -2.658 -7.639 1.00 0.00 C ATOM 1260 CG LEU A 77 0.204 -1.735 -7.660 1.00 0.00 C ATOM 1261 CD1 LEU A 77 0.398 -1.081 -9.050 1.00 0.00 C ATOM 1262 CD2 LEU A 77 0.114 -0.680 -6.548 1.00 0.00 C ATOM 0 H LEU A 77 -2.982 -4.143 -7.937 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.820 -3.494 -9.625 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.924 -2.052 -7.860 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -1.170 -3.044 -6.627 1.00 0.00 H new ATOM 0 HG LEU A 77 1.084 -2.350 -7.469 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.280 -0.441 -9.031 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.529 -1.858 -9.803 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.479 -0.482 -9.296 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.998 -0.043 -6.579 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.778 -0.071 -6.696 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.058 -1.176 -5.579 1.00 0.00 H new ATOM 1274 N GLN A 78 -0.184 -5.743 -7.296 1.00 0.00 N ATOM 1275 CA GLN A 78 0.743 -6.807 -6.892 1.00 0.00 C ATOM 1276 C GLN A 78 1.008 -7.752 -8.077 1.00 0.00 C ATOM 1277 O GLN A 78 2.139 -8.183 -8.281 1.00 0.00 O ATOM 1278 CB GLN A 78 0.177 -7.574 -5.663 1.00 0.00 C ATOM 1279 CG GLN A 78 0.191 -6.771 -4.340 1.00 0.00 C ATOM 1280 CD GLN A 78 -0.472 -7.490 -3.146 1.00 0.00 C ATOM 1281 OE1 GLN A 78 -0.048 -7.342 -2.001 1.00 0.00 O ATOM 1282 NE2 GLN A 78 -1.534 -8.243 -3.391 1.00 0.00 N ATOM 0 H GLN A 78 -1.073 -5.764 -6.796 1.00 0.00 H new ATOM 0 HA GLN A 78 1.695 -6.365 -6.597 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -0.848 -7.875 -5.879 1.00 0.00 H new ATOM 0 HB3 GLN A 78 0.755 -8.488 -5.524 1.00 0.00 H new ATOM 0 HG2 GLN A 78 1.224 -6.541 -4.081 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -0.316 -5.820 -4.502 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -1.871 -8.354 -4.347 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -2.015 -8.712 -2.623 1.00 0.00 H new ATOM 1291 N GLN A 79 -0.039 -8.037 -8.880 1.00 0.00 N ATOM 1292 CA GLN A 79 0.114 -8.848 -10.105 1.00 0.00 C ATOM 1293 C GLN A 79 0.939 -8.098 -11.183 1.00 0.00 C ATOM 1294 O GLN A 79 1.744 -8.711 -11.887 1.00 0.00 O ATOM 1295 CB GLN A 79 -1.265 -9.289 -10.664 1.00 0.00 C ATOM 1296 CG GLN A 79 -2.055 -10.259 -9.749 1.00 0.00 C ATOM 1297 CD GLN A 79 -3.349 -10.808 -10.369 1.00 0.00 C ATOM 1298 OE1 GLN A 79 -4.304 -11.107 -9.664 1.00 0.00 O ATOM 1299 NE2 GLN A 79 -3.391 -10.968 -11.684 1.00 0.00 N ATOM 0 H GLN A 79 -0.992 -7.720 -8.703 1.00 0.00 H new ATOM 0 HA GLN A 79 0.667 -9.747 -9.834 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -1.872 -8.401 -10.839 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -1.113 -9.767 -11.632 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -1.409 -11.097 -9.486 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -2.302 -9.743 -8.821 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -2.585 -10.713 -12.255 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -4.229 -11.346 -12.125 1.00 0.00 H new ATOM 1308 N GLU A 80 0.758 -6.764 -11.282 1.00 0.00 N ATOM 1309 CA GLU A 80 1.484 -5.920 -12.262 1.00 0.00 C ATOM 1310 C GLU A 80 2.988 -5.836 -11.927 1.00 0.00 C ATOM 1311 O GLU A 80 3.837 -5.992 -12.808 1.00 0.00 O ATOM 1312 CB GLU A 80 0.865 -4.498 -12.302 1.00 0.00 C ATOM 1313 CG GLU A 80 -0.583 -4.452 -12.822 1.00 0.00 C ATOM 1314 CD GLU A 80 -1.190 -3.051 -12.748 1.00 0.00 C ATOM 1315 OE1 GLU A 80 -0.864 -2.207 -13.614 1.00 0.00 O ATOM 1316 OE2 GLU A 80 -1.961 -2.770 -11.810 1.00 0.00 O ATOM 0 H GLU A 80 0.110 -6.243 -10.691 1.00 0.00 H new ATOM 0 HA GLU A 80 1.385 -6.383 -13.244 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.892 -4.074 -11.298 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.486 -3.862 -12.933 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.605 -4.800 -13.855 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.196 -5.141 -12.241 1.00 0.00 H new ATOM 1323 N LEU A 81 3.295 -5.598 -10.636 1.00 0.00 N ATOM 1324 CA LEU A 81 4.677 -5.431 -10.141 1.00 0.00 C ATOM 1325 C LEU A 81 5.375 -6.788 -9.882 1.00 0.00 C ATOM 1326 O LEU A 81 6.523 -6.806 -9.419 1.00 0.00 O ATOM 1327 CB LEU A 81 4.669 -4.567 -8.847 1.00 0.00 C ATOM 1328 CG LEU A 81 4.012 -3.147 -8.946 1.00 0.00 C ATOM 1329 CD1 LEU A 81 4.057 -2.418 -7.580 1.00 0.00 C ATOM 1330 CD2 LEU A 81 4.656 -2.298 -10.069 1.00 0.00 C ATOM 0 H LEU A 81 2.589 -5.516 -9.904 1.00 0.00 H new ATOM 0 HA LEU A 81 5.249 -4.923 -10.917 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.151 -5.127 -8.069 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.700 -4.441 -8.517 1.00 0.00 H new ATOM 0 HG LEU A 81 2.964 -3.284 -9.212 1.00 0.00 H new ATOM 0 HD11 LEU A 81 3.595 -1.436 -7.677 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.514 -3.003 -6.837 1.00 0.00 H new ATOM 0 HD13 LEU A 81 5.094 -2.302 -7.264 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.175 -1.321 -10.108 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.719 -2.171 -9.865 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.528 -2.803 -11.026 1.00 0.00 H new ATOM 1342 N GLY A 82 4.672 -7.912 -10.177 1.00 0.00 N ATOM 1343 CA GLY A 82 5.233 -9.264 -10.028 1.00 0.00 C ATOM 1344 C GLY A 82 5.358 -9.721 -8.572 1.00 0.00 C ATOM 1345 O GLY A 82 6.039 -10.704 -8.293 1.00 0.00 O ATOM 0 H GLY A 82 3.712 -7.899 -10.520 1.00 0.00 H new ATOM 0 HA2 GLY A 82 4.603 -9.971 -10.569 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.218 -9.293 -10.494 1.00 0.00 H new ATOM 1349 N ILE A 83 4.679 -8.992 -7.668 1.00 0.00 N ATOM 1350 CA ILE A 83 4.681 -9.224 -6.213 1.00 0.00 C ATOM 1351 C ILE A 83 3.663 -10.337 -5.863 1.00 0.00 C ATOM 1352 O ILE A 83 2.451 -10.127 -5.996 1.00 0.00 O ATOM 1353 CB ILE A 83 4.313 -7.878 -5.467 1.00 0.00 C ATOM 1354 CG1 ILE A 83 5.386 -6.779 -5.749 1.00 0.00 C ATOM 1355 CG2 ILE A 83 4.113 -8.086 -3.946 1.00 0.00 C ATOM 1356 CD1 ILE A 83 5.066 -5.411 -5.165 1.00 0.00 C ATOM 0 H ILE A 83 4.096 -8.200 -7.939 1.00 0.00 H new ATOM 0 HA ILE A 83 5.671 -9.545 -5.891 1.00 0.00 H new ATOM 0 HB ILE A 83 3.357 -7.538 -5.866 1.00 0.00 H new ATOM 0 HG12 ILE A 83 6.343 -7.114 -5.349 1.00 0.00 H new ATOM 0 HG13 ILE A 83 5.508 -6.679 -6.827 1.00 0.00 H new ATOM 0 HG21 ILE A 83 3.862 -7.134 -3.478 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.303 -8.797 -3.779 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.032 -8.474 -3.508 1.00 0.00 H new ATOM 0 HD11 ILE A 83 5.867 -4.714 -5.412 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.127 -5.048 -5.583 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.975 -5.490 -4.082 1.00 0.00 H new ATOM 1368 N GLU A 84 4.151 -11.510 -5.419 1.00 0.00 N ATOM 1369 CA GLU A 84 3.297 -12.688 -5.138 1.00 0.00 C ATOM 1370 C GLU A 84 3.967 -13.649 -4.132 1.00 0.00 C ATOM 1371 O GLU A 84 5.168 -13.540 -3.857 1.00 0.00 O ATOM 1372 CB GLU A 84 2.899 -13.406 -6.473 1.00 0.00 C ATOM 1373 CG GLU A 84 4.065 -13.881 -7.376 1.00 0.00 C ATOM 1374 CD GLU A 84 4.810 -15.127 -6.863 1.00 0.00 C ATOM 1375 OE1 GLU A 84 4.178 -16.204 -6.760 1.00 0.00 O ATOM 1376 OE2 GLU A 84 6.019 -15.036 -6.566 1.00 0.00 O ATOM 0 H GLU A 84 5.143 -11.672 -5.244 1.00 0.00 H new ATOM 0 HA GLU A 84 2.379 -12.341 -4.664 1.00 0.00 H new ATOM 0 HB2 GLU A 84 2.285 -14.272 -6.225 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.273 -12.727 -7.052 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.673 -14.093 -8.371 1.00 0.00 H new ATOM 0 HG3 GLU A 84 4.780 -13.065 -7.482 1.00 0.00 H new ATOM 1383 N GLY A 85 3.175 -14.611 -3.624 1.00 0.00 N ATOM 1384 CA GLY A 85 3.644 -15.600 -2.651 1.00 0.00 C ATOM 1385 C GLY A 85 3.967 -14.976 -1.291 1.00 0.00 C ATOM 1386 O GLY A 85 3.128 -14.271 -0.723 1.00 0.00 O ATOM 0 H GLY A 85 2.194 -14.720 -3.880 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.882 -16.369 -2.523 1.00 0.00 H new ATOM 0 HA3 GLY A 85 4.534 -16.095 -3.041 1.00 0.00 H new ATOM 1390 N GLU A 86 5.189 -15.217 -0.785 1.00 0.00 N ATOM 1391 CA GLU A 86 5.664 -14.635 0.495 1.00 0.00 C ATOM 1392 C GLU A 86 6.009 -13.137 0.314 1.00 0.00 C ATOM 1393 O GLU A 86 6.169 -12.410 1.292 1.00 0.00 O ATOM 1394 CB GLU A 86 6.891 -15.431 1.055 1.00 0.00 C ATOM 1395 CG GLU A 86 8.257 -15.209 0.343 1.00 0.00 C ATOM 1396 CD GLU A 86 8.289 -15.650 -1.132 1.00 0.00 C ATOM 1397 OE1 GLU A 86 8.553 -16.843 -1.396 1.00 0.00 O ATOM 1398 OE2 GLU A 86 8.027 -14.813 -2.024 1.00 0.00 O ATOM 0 H GLU A 86 5.876 -15.816 -1.244 1.00 0.00 H new ATOM 0 HA GLU A 86 4.858 -14.714 1.225 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.011 -15.174 2.107 1.00 0.00 H new ATOM 0 HB3 GLU A 86 6.654 -16.494 1.012 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.513 -14.151 0.398 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.029 -15.752 0.888 1.00 0.00 H new ATOM 1405 N ASN A 87 6.119 -12.698 -0.963 1.00 0.00 N ATOM 1406 CA ASN A 87 6.439 -11.307 -1.328 1.00 0.00 C ATOM 1407 C ASN A 87 5.196 -10.389 -1.230 1.00 0.00 C ATOM 1408 O ASN A 87 5.352 -9.163 -1.187 1.00 0.00 O ATOM 1409 CB ASN A 87 7.032 -11.270 -2.761 1.00 0.00 C ATOM 1410 CG ASN A 87 7.573 -9.906 -3.218 1.00 0.00 C ATOM 1411 OD1 ASN A 87 7.458 -9.547 -4.393 1.00 0.00 O ATOM 1412 ND2 ASN A 87 8.205 -9.154 -2.322 1.00 0.00 N ATOM 0 H ASN A 87 5.986 -13.307 -1.770 1.00 0.00 H new ATOM 0 HA ASN A 87 7.176 -10.929 -0.620 1.00 0.00 H new ATOM 0 HB2 ASN A 87 7.839 -12.000 -2.820 1.00 0.00 H new ATOM 0 HB3 ASN A 87 6.261 -11.589 -3.463 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.608 -8.259 -2.600 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.287 -9.472 -1.356 1.00 0.00 H new ATOM 1419 N ARG A 88 3.981 -10.995 -1.173 1.00 0.00 N ATOM 1420 CA ARG A 88 2.687 -10.263 -1.080 1.00 0.00 C ATOM 1421 C ARG A 88 2.717 -9.235 0.060 1.00 0.00 C ATOM 1422 O ARG A 88 3.074 -9.584 1.190 1.00 0.00 O ATOM 1423 CB ARG A 88 1.515 -11.252 -0.845 1.00 0.00 C ATOM 1424 CG ARG A 88 1.115 -12.098 -2.067 1.00 0.00 C ATOM 1425 CD ARG A 88 0.481 -11.272 -3.206 1.00 0.00 C ATOM 1426 NE ARG A 88 -0.128 -12.131 -4.246 1.00 0.00 N ATOM 1427 CZ ARG A 88 -1.283 -12.797 -4.107 1.00 0.00 C ATOM 1428 NH1 ARG A 88 -1.991 -12.729 -2.992 1.00 0.00 N ATOM 1429 NH2 ARG A 88 -1.738 -13.535 -5.103 1.00 0.00 N ATOM 0 H ARG A 88 3.870 -12.009 -1.190 1.00 0.00 H new ATOM 0 HA ARG A 88 2.536 -9.741 -2.025 1.00 0.00 H new ATOM 0 HB2 ARG A 88 1.786 -11.924 -0.031 1.00 0.00 H new ATOM 0 HB3 ARG A 88 0.644 -10.686 -0.514 1.00 0.00 H new ATOM 0 HG2 ARG A 88 1.998 -12.611 -2.449 1.00 0.00 H new ATOM 0 HG3 ARG A 88 0.411 -12.868 -1.751 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -0.280 -10.610 -2.793 1.00 0.00 H new ATOM 0 HD3 ARG A 88 1.242 -10.638 -3.660 1.00 0.00 H new ATOM 0 HE ARG A 88 0.367 -12.223 -5.133 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -1.661 -12.160 -2.212 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -2.867 -13.246 -2.912 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -1.211 -13.597 -5.974 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -2.616 -14.043 -5.001 1.00 0.00 H new ATOM 1443 N VAL A 89 2.322 -7.992 -0.263 1.00 0.00 N ATOM 1444 CA VAL A 89 2.411 -6.842 0.654 1.00 0.00 C ATOM 1445 C VAL A 89 1.516 -7.083 1.887 1.00 0.00 C ATOM 1446 O VAL A 89 0.292 -7.158 1.736 1.00 0.00 O ATOM 1447 CB VAL A 89 1.993 -5.502 -0.063 1.00 0.00 C ATOM 1448 CG1 VAL A 89 2.142 -4.272 0.878 1.00 0.00 C ATOM 1449 CG2 VAL A 89 2.805 -5.318 -1.361 1.00 0.00 C ATOM 0 H VAL A 89 1.929 -7.755 -1.174 1.00 0.00 H new ATOM 0 HA VAL A 89 3.449 -6.743 0.972 1.00 0.00 H new ATOM 0 HB VAL A 89 0.937 -5.573 -0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 89 1.844 -3.369 0.346 1.00 0.00 H new ATOM 0 HG12 VAL A 89 1.506 -4.404 1.753 1.00 0.00 H new ATOM 0 HG13 VAL A 89 3.181 -4.180 1.195 1.00 0.00 H new ATOM 0 HG21 VAL A 89 2.508 -4.389 -1.848 1.00 0.00 H new ATOM 0 HG22 VAL A 89 3.868 -5.279 -1.123 1.00 0.00 H new ATOM 0 HG23 VAL A 89 2.614 -6.156 -2.031 1.00 0.00 H new ATOM 1459 N PRO A 90 2.109 -7.250 3.115 1.00 0.00 N ATOM 1460 CA PRO A 90 1.329 -7.549 4.337 1.00 0.00 C ATOM 1461 C PRO A 90 0.465 -6.335 4.759 1.00 0.00 C ATOM 1462 O PRO A 90 0.981 -5.264 5.074 1.00 0.00 O ATOM 1463 CB PRO A 90 2.419 -7.906 5.386 1.00 0.00 C ATOM 1464 CG PRO A 90 3.655 -7.198 4.918 1.00 0.00 C ATOM 1465 CD PRO A 90 3.573 -7.152 3.408 1.00 0.00 C ATOM 0 HA PRO A 90 0.611 -8.359 4.207 1.00 0.00 H new ATOM 0 HB2 PRO A 90 2.129 -7.576 6.384 1.00 0.00 H new ATOM 0 HB3 PRO A 90 2.578 -8.983 5.439 1.00 0.00 H new ATOM 0 HG2 PRO A 90 3.708 -6.192 5.335 1.00 0.00 H new ATOM 0 HG3 PRO A 90 4.552 -7.726 5.243 1.00 0.00 H new ATOM 0 HD2 PRO A 90 3.997 -6.228 3.014 1.00 0.00 H new ATOM 0 HD3 PRO A 90 4.126 -7.975 2.954 1.00 0.00 H new ATOM 1473 N VAL A 91 -0.859 -6.515 4.712 1.00 0.00 N ATOM 1474 CA VAL A 91 -1.831 -5.462 5.032 1.00 0.00 C ATOM 1475 C VAL A 91 -2.497 -5.786 6.367 1.00 0.00 C ATOM 1476 O VAL A 91 -3.122 -6.843 6.520 1.00 0.00 O ATOM 1477 CB VAL A 91 -2.901 -5.297 3.901 1.00 0.00 C ATOM 1478 CG1 VAL A 91 -3.941 -4.203 4.254 1.00 0.00 C ATOM 1479 CG2 VAL A 91 -2.212 -4.992 2.557 1.00 0.00 C ATOM 0 H VAL A 91 -1.290 -7.401 4.449 1.00 0.00 H new ATOM 0 HA VAL A 91 -1.303 -4.511 5.108 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.443 -6.238 3.809 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.667 -4.117 3.446 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -4.455 -4.474 5.176 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.433 -3.248 4.388 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.967 -4.879 1.779 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -1.639 -4.069 2.643 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -1.542 -5.812 2.297 1.00 0.00 H new ATOM 1489 N VAL A 92 -2.357 -4.865 7.325 1.00 0.00 N ATOM 1490 CA VAL A 92 -2.820 -5.033 8.702 1.00 0.00 C ATOM 1491 C VAL A 92 -3.897 -3.977 8.959 1.00 0.00 C ATOM 1492 O VAL A 92 -3.627 -2.785 8.817 1.00 0.00 O ATOM 1493 CB VAL A 92 -1.634 -4.848 9.736 1.00 0.00 C ATOM 1494 CG1 VAL A 92 -2.026 -5.369 11.140 1.00 0.00 C ATOM 1495 CG2 VAL A 92 -0.334 -5.514 9.227 1.00 0.00 C ATOM 0 H VAL A 92 -1.909 -3.964 7.159 1.00 0.00 H new ATOM 0 HA VAL A 92 -3.215 -6.040 8.834 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.439 -3.779 9.826 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.191 -5.228 11.827 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -2.893 -4.817 11.504 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -2.271 -6.429 11.079 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.460 -5.369 9.959 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -0.504 -6.581 9.083 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.041 -5.062 8.279 1.00 0.00 H new ATOM 1505 N TYR A 93 -5.116 -4.404 9.287 1.00 0.00 N ATOM 1506 CA TYR A 93 -6.223 -3.494 9.615 1.00 0.00 C ATOM 1507 C TYR A 93 -6.220 -3.214 11.120 1.00 0.00 C ATOM 1508 O TYR A 93 -6.446 -4.127 11.922 1.00 0.00 O ATOM 1509 CB TYR A 93 -7.564 -4.118 9.170 1.00 0.00 C ATOM 1510 CG TYR A 93 -7.733 -4.178 7.649 1.00 0.00 C ATOM 1511 CD1 TYR A 93 -7.240 -5.250 6.894 1.00 0.00 C ATOM 1512 CD2 TYR A 93 -8.372 -3.144 6.966 1.00 0.00 C ATOM 1513 CE1 TYR A 93 -7.382 -5.280 5.517 1.00 0.00 C ATOM 1514 CE2 TYR A 93 -8.516 -3.178 5.598 1.00 0.00 C ATOM 1515 CZ TYR A 93 -8.021 -4.244 4.877 1.00 0.00 C ATOM 1516 OH TYR A 93 -8.158 -4.263 3.504 1.00 0.00 O ATOM 0 H TYR A 93 -5.368 -5.391 9.334 1.00 0.00 H new ATOM 0 HA TYR A 93 -6.096 -2.550 9.085 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -7.639 -5.127 9.576 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.384 -3.540 9.597 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.741 -6.067 7.394 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -8.760 -2.302 7.520 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -6.993 -6.112 4.949 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -9.017 -2.369 5.088 1.00 0.00 H new ATOM 0 HH TYR A 93 -8.742 -5.006 3.244 1.00 0.00 H new ATOM 1526 N ILE A 94 -5.943 -1.960 11.497 1.00 0.00 N ATOM 1527 CA ILE A 94 -5.969 -1.502 12.897 1.00 0.00 C ATOM 1528 C ILE A 94 -7.070 -0.446 12.992 1.00 0.00 C ATOM 1529 O ILE A 94 -7.084 0.475 12.190 1.00 0.00 O ATOM 1530 CB ILE A 94 -4.597 -0.869 13.389 1.00 0.00 C ATOM 1531 CG1 ILE A 94 -3.377 -1.827 13.154 1.00 0.00 C ATOM 1532 CG2 ILE A 94 -4.687 -0.467 14.883 1.00 0.00 C ATOM 1533 CD1 ILE A 94 -2.797 -1.782 11.756 1.00 0.00 C ATOM 0 H ILE A 94 -5.692 -1.226 10.835 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.147 -2.365 13.538 1.00 0.00 H new ATOM 0 HB ILE A 94 -4.426 0.024 12.788 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -2.592 -1.575 13.867 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -3.688 -2.849 13.371 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.738 -0.036 15.201 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -5.482 0.267 15.015 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -4.904 -1.349 15.485 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -1.959 -2.476 11.687 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -3.563 -2.066 11.035 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -2.450 -0.772 11.538 1.00 0.00 H new ATOM 1545 N ALA A 95 -8.004 -0.586 13.948 1.00 0.00 N ATOM 1546 CA ALA A 95 -9.121 0.355 14.114 1.00 0.00 C ATOM 1547 C ALA A 95 -9.357 0.615 15.605 1.00 0.00 C ATOM 1548 O ALA A 95 -9.845 -0.264 16.323 1.00 0.00 O ATOM 1549 CB ALA A 95 -10.384 -0.186 13.424 1.00 0.00 C ATOM 0 H ALA A 95 -8.005 -1.351 14.623 1.00 0.00 H new ATOM 0 HA ALA A 95 -8.872 1.304 13.639 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -11.202 0.522 13.556 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -10.188 -0.320 12.360 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -10.658 -1.144 13.866 1.00 0.00 H new ATOM 1555 N GLU A 96 -8.970 1.816 16.046 1.00 0.00 N ATOM 1556 CA GLU A 96 -9.192 2.301 17.424 1.00 0.00 C ATOM 1557 C GLU A 96 -10.701 2.430 17.685 1.00 0.00 C ATOM 1558 O GLU A 96 -11.193 2.092 18.768 1.00 0.00 O ATOM 1559 CB GLU A 96 -8.505 3.682 17.644 1.00 0.00 C ATOM 1560 CG GLU A 96 -6.960 3.684 17.538 1.00 0.00 C ATOM 1561 CD GLU A 96 -6.407 3.385 16.128 1.00 0.00 C ATOM 1562 OE1 GLU A 96 -6.818 4.061 15.159 1.00 0.00 O ATOM 1563 OE2 GLU A 96 -5.556 2.489 15.980 1.00 0.00 O ATOM 0 H GLU A 96 -8.487 2.492 15.454 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.755 1.583 18.119 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -8.903 4.386 16.913 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -8.784 4.054 18.630 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.589 4.657 17.859 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -6.561 2.945 18.233 1.00 0.00 H new ATOM 1570 N SER A 97 -11.397 2.924 16.650 1.00 0.00 N ATOM 1571 CA SER A 97 -12.855 3.072 16.613 1.00 0.00 C ATOM 1572 C SER A 97 -13.295 3.417 15.178 1.00 0.00 C ATOM 1573 O SER A 97 -12.481 3.838 14.351 1.00 0.00 O ATOM 1574 CB SER A 97 -13.323 4.171 17.602 1.00 0.00 C ATOM 1575 OG SER A 97 -14.738 4.307 17.613 1.00 0.00 O ATOM 0 H SER A 97 -10.945 3.240 15.792 1.00 0.00 H new ATOM 0 HA SER A 97 -13.315 2.132 16.917 1.00 0.00 H new ATOM 0 HB2 SER A 97 -12.974 3.929 18.606 1.00 0.00 H new ATOM 0 HB3 SER A 97 -12.869 5.123 17.328 1.00 0.00 H new ATOM 0 HG SER A 97 -14.994 5.007 18.249 1.00 0.00 H new ATOM 1581 N ASP A 98 -14.589 3.234 14.896 1.00 0.00 N ATOM 1582 CA ASP A 98 -15.219 3.665 13.631 1.00 0.00 C ATOM 1583 C ASP A 98 -15.635 5.151 13.744 1.00 0.00 C ATOM 1584 O ASP A 98 -15.863 5.826 12.736 1.00 0.00 O ATOM 1585 CB ASP A 98 -16.441 2.763 13.294 1.00 0.00 C ATOM 1586 CG ASP A 98 -17.583 2.896 14.316 1.00 0.00 C ATOM 1587 OD1 ASP A 98 -17.440 2.390 15.450 1.00 0.00 O ATOM 1588 OD2 ASP A 98 -18.615 3.533 14.007 1.00 0.00 O ATOM 0 H ASP A 98 -15.238 2.780 15.539 1.00 0.00 H new ATOM 0 HA ASP A 98 -14.502 3.563 12.817 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -16.815 3.022 12.303 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -16.118 1.723 13.251 1.00 0.00 H new ATOM 1593 N GLY A 99 -15.723 5.646 14.989 1.00 0.00 N ATOM 1594 CA GLY A 99 -16.048 7.038 15.261 1.00 0.00 C ATOM 1595 C GLY A 99 -16.124 7.266 16.766 1.00 0.00 C ATOM 1596 O GLY A 99 -15.085 7.563 17.388 1.00 0.00 O ATOM 1597 OXT GLY A 99 -17.216 7.116 17.343 1.00 0.00 O ATOM 0 H GLY A 99 -15.570 5.086 15.828 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -15.292 7.690 14.823 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -17.000 7.296 14.796 1.00 0.00 H new TER 1601 GLY A 99