USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 559 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 41 SER OG : rot -133:sc= 0.775 USER MOD Set 1.2: A 43 HIS : no HE2:sc= 0.894 K(o=1.7,f=-5.1!) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot -24:sc= 0.403 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 34 CYS SG : rot 8:sc= -2.91 USER MOD Single : A 35 SER OG : rot 15:sc= 0.929 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 150:sc= -4.26! USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 HIS : no HD1:sc= -0.13 X(o=-0.13,f=-0.19) USER MOD Single : A 73 SER OG : rot 180:sc= 0.701 USER MOD Single : A 78 GLN : amide:sc= -0.674 K(o=-0.67,f=-0.034) USER MOD Single : A 88 GLN : amide:sc= -3.35! K(o=-3.4!,f=-2.3) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=-0.00091) USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 -4.989 -0.305 0.560 1.00 0.00 N ATOM 2 CA MET A 23 -3.838 0.403 1.095 1.00 0.00 C ATOM 3 C MET A 23 -2.862 0.785 -0.021 1.00 0.00 C ATOM 4 O MET A 23 -1.789 0.196 -0.140 1.00 0.00 O ATOM 5 CB MET A 23 -3.123 -0.483 2.117 1.00 0.00 C ATOM 6 CG MET A 23 -3.498 -0.083 3.546 1.00 0.00 C ATOM 7 SD MET A 23 -4.480 -1.367 4.302 1.00 0.00 S ATOM 8 CE MET A 23 -3.256 -2.102 5.375 1.00 0.00 C ATOM 0 HA MET A 23 -4.188 1.317 1.575 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.387 -1.527 1.947 1.00 0.00 H new ATOM 0 HB3 MET A 23 -2.044 -0.401 1.984 1.00 0.00 H new ATOM 0 HG2 MET A 23 -2.596 0.089 4.133 1.00 0.00 H new ATOM 0 HG3 MET A 23 -4.055 0.854 3.536 1.00 0.00 H new ATOM 0 HE1 MET A 23 -3.705 -2.928 5.927 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.424 -2.475 4.777 1.00 0.00 H new ATOM 0 HE3 MET A 23 -2.891 -1.353 6.077 1.00 0.00 H new ATOM 18 N SER A 24 -3.271 1.768 -0.809 1.00 0.00 N ATOM 19 CA SER A 24 -2.446 2.235 -1.911 1.00 0.00 C ATOM 20 C SER A 24 -2.091 3.710 -1.710 1.00 0.00 C ATOM 21 O SER A 24 -2.942 4.584 -1.867 1.00 0.00 O ATOM 22 CB SER A 24 -3.156 2.038 -3.252 1.00 0.00 C ATOM 23 OG SER A 24 -2.240 1.735 -4.301 1.00 0.00 O ATOM 0 H SER A 24 -4.162 2.254 -0.707 1.00 0.00 H new ATOM 0 HA SER A 24 -1.529 1.646 -1.926 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.884 1.232 -3.162 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.711 2.942 -3.505 1.00 0.00 H new ATOM 0 HG SER A 24 -1.351 2.077 -4.068 1.00 0.00 H new ATOM 29 N ILE A 25 -0.833 3.940 -1.365 1.00 0.00 N ATOM 30 CA ILE A 25 -0.354 5.294 -1.141 1.00 0.00 C ATOM 31 C ILE A 25 -0.458 6.089 -2.444 1.00 0.00 C ATOM 32 O ILE A 25 -0.157 5.570 -3.517 1.00 0.00 O ATOM 33 CB ILE A 25 1.054 5.273 -0.543 1.00 0.00 C ATOM 34 CG1 ILE A 25 2.112 5.126 -1.639 1.00 0.00 C ATOM 35 CG2 ILE A 25 1.180 4.184 0.525 1.00 0.00 C ATOM 36 CD1 ILE A 25 2.447 6.482 -2.263 1.00 0.00 C ATOM 0 H ILE A 25 -0.131 3.212 -1.235 1.00 0.00 H new ATOM 0 HA ILE A 25 -0.979 5.802 -0.406 1.00 0.00 H new ATOM 0 HB ILE A 25 1.231 6.229 -0.050 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.015 4.681 -1.221 1.00 0.00 H new ATOM 0 HG13 ILE A 25 1.750 4.446 -2.410 1.00 0.00 H new ATOM 0 HG21 ILE A 25 2.190 4.191 0.934 1.00 0.00 H new ATOM 0 HG22 ILE A 25 0.464 4.374 1.324 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.976 3.211 0.078 1.00 0.00 H new ATOM 0 HD11 ILE A 25 3.201 6.349 -3.039 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.547 6.913 -2.702 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.832 7.151 -1.494 1.00 0.00 H new ATOM 48 N GLU A 26 -0.884 7.336 -2.307 1.00 0.00 N ATOM 49 CA GLU A 26 -1.031 8.208 -3.460 1.00 0.00 C ATOM 50 C GLU A 26 0.036 9.305 -3.435 1.00 0.00 C ATOM 51 O GLU A 26 0.629 9.576 -2.392 1.00 0.00 O ATOM 52 CB GLU A 26 -2.436 8.811 -3.516 1.00 0.00 C ATOM 53 CG GLU A 26 -2.931 8.914 -4.960 1.00 0.00 C ATOM 54 CD GLU A 26 -3.231 10.367 -5.335 1.00 0.00 C ATOM 55 OE1 GLU A 26 -2.783 10.775 -6.428 1.00 0.00 O ATOM 56 OE2 GLU A 26 -3.900 11.037 -4.519 1.00 0.00 O ATOM 0 H GLU A 26 -1.132 7.763 -1.415 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.891 7.612 -4.362 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -3.123 8.196 -2.935 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.430 9.800 -3.058 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.178 8.508 -5.636 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.830 8.310 -5.084 1.00 0.00 H new ATOM 63 N ILE A 27 0.248 9.906 -4.596 1.00 0.00 N ATOM 64 CA ILE A 27 1.233 10.967 -4.721 1.00 0.00 C ATOM 65 C ILE A 27 0.635 12.119 -5.532 1.00 0.00 C ATOM 66 O ILE A 27 0.058 11.900 -6.596 1.00 0.00 O ATOM 67 CB ILE A 27 2.539 10.420 -5.300 1.00 0.00 C ATOM 68 CG1 ILE A 27 3.320 9.634 -4.245 1.00 0.00 C ATOM 69 CG2 ILE A 27 3.378 11.541 -5.916 1.00 0.00 C ATOM 70 CD1 ILE A 27 3.934 10.573 -3.205 1.00 0.00 C ATOM 0 H ILE A 27 -0.246 9.679 -5.459 1.00 0.00 H new ATOM 0 HA ILE A 27 1.489 11.367 -3.740 1.00 0.00 H new ATOM 0 HB ILE A 27 2.292 9.725 -6.102 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.657 8.923 -3.752 1.00 0.00 H new ATOM 0 HG13 ILE A 27 4.107 9.055 -4.727 1.00 0.00 H new ATOM 0 HG21 ILE A 27 4.301 11.125 -6.320 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.814 12.019 -6.717 1.00 0.00 H new ATOM 0 HG23 ILE A 27 3.618 12.279 -5.150 1.00 0.00 H new ATOM 0 HD11 ILE A 27 4.484 9.989 -2.467 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.615 11.267 -3.698 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.142 11.133 -2.708 1.00 0.00 H new ATOM 82 N ASP A 28 0.794 13.321 -4.998 1.00 0.00 N ATOM 83 CA ASP A 28 0.278 14.507 -5.659 1.00 0.00 C ATOM 84 C ASP A 28 1.431 15.474 -5.936 1.00 0.00 C ATOM 85 O ASP A 28 1.742 16.329 -5.108 1.00 0.00 O ATOM 86 CB ASP A 28 -0.742 15.229 -4.776 1.00 0.00 C ATOM 87 CG ASP A 28 -1.909 15.872 -5.529 1.00 0.00 C ATOM 88 OD1 ASP A 28 -2.900 16.218 -4.850 1.00 0.00 O ATOM 89 OD2 ASP A 28 -1.783 16.002 -6.765 1.00 0.00 O ATOM 0 H ASP A 28 1.273 13.499 -4.115 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.203 14.194 -6.586 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.143 14.518 -4.054 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.225 16.003 -4.208 1.00 0.00 H new ATOM 94 N SER A 29 2.034 15.306 -7.104 1.00 0.00 N ATOM 95 CA SER A 29 3.146 16.152 -7.501 1.00 0.00 C ATOM 96 C SER A 29 2.636 17.547 -7.870 1.00 0.00 C ATOM 97 O SER A 29 3.310 18.545 -7.621 1.00 0.00 O ATOM 98 CB SER A 29 3.913 15.540 -8.675 1.00 0.00 C ATOM 99 OG SER A 29 5.323 15.646 -8.504 1.00 0.00 O ATOM 0 H SER A 29 1.773 14.596 -7.788 1.00 0.00 H new ATOM 0 HA SER A 29 3.832 16.233 -6.658 1.00 0.00 H new ATOM 0 HB2 SER A 29 3.638 14.490 -8.780 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.621 16.040 -9.599 1.00 0.00 H new ATOM 0 HG SER A 29 5.777 15.243 -9.273 1.00 0.00 H new ATOM 105 N GLU A 30 1.448 17.572 -8.458 1.00 0.00 N ATOM 106 CA GLU A 30 0.840 18.827 -8.864 1.00 0.00 C ATOM 107 C GLU A 30 0.890 19.837 -7.716 1.00 0.00 C ATOM 108 O GLU A 30 1.340 20.967 -7.898 1.00 0.00 O ATOM 109 CB GLU A 30 -0.597 18.611 -9.342 1.00 0.00 C ATOM 110 CG GLU A 30 -0.623 17.991 -10.740 1.00 0.00 C ATOM 111 CD GLU A 30 -2.055 17.664 -11.168 1.00 0.00 C ATOM 112 OE1 GLU A 30 -2.821 18.630 -11.371 1.00 0.00 O ATOM 113 OE2 GLU A 30 -2.350 16.454 -11.284 1.00 0.00 O ATOM 0 H GLU A 30 0.891 16.742 -8.663 1.00 0.00 H new ATOM 0 HA GLU A 30 1.410 19.230 -9.701 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -1.123 17.961 -8.642 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.127 19.563 -9.353 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.174 18.680 -11.456 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.020 17.083 -10.750 1.00 0.00 H new ATOM 120 N GLN A 31 0.423 19.392 -6.558 1.00 0.00 N ATOM 121 CA GLN A 31 0.409 20.243 -5.380 1.00 0.00 C ATOM 122 C GLN A 31 1.636 19.963 -4.509 1.00 0.00 C ATOM 123 O GLN A 31 2.095 20.840 -3.778 1.00 0.00 O ATOM 124 CB GLN A 31 -0.883 20.055 -4.584 1.00 0.00 C ATOM 125 CG GLN A 31 -1.990 20.971 -5.110 1.00 0.00 C ATOM 126 CD GLN A 31 -2.935 21.393 -3.983 1.00 0.00 C ATOM 127 OE1 GLN A 31 -2.557 22.073 -3.043 1.00 0.00 O ATOM 128 NE2 GLN A 31 -4.181 20.954 -4.129 1.00 0.00 N ATOM 0 H GLN A 31 0.052 18.453 -6.411 1.00 0.00 H new ATOM 0 HA GLN A 31 0.448 21.283 -5.705 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -1.205 19.016 -4.648 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.700 20.268 -3.531 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.548 21.855 -5.569 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.554 20.456 -5.888 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.431 20.389 -4.940 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.887 21.183 -3.430 1.00 0.00 H new ATOM 137 N GLY A 32 2.131 18.739 -4.616 1.00 0.00 N ATOM 138 CA GLY A 32 3.295 18.333 -3.847 1.00 0.00 C ATOM 139 C GLY A 32 2.881 17.713 -2.511 1.00 0.00 C ATOM 140 O GLY A 32 3.640 17.748 -1.544 1.00 0.00 O ATOM 0 H GLY A 32 1.747 18.015 -5.224 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.881 17.614 -4.420 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.936 19.196 -3.668 1.00 0.00 H new ATOM 144 N VAL A 33 1.677 17.159 -2.500 1.00 0.00 N ATOM 145 CA VAL A 33 1.153 16.532 -1.299 1.00 0.00 C ATOM 146 C VAL A 33 0.917 15.044 -1.567 1.00 0.00 C ATOM 147 O VAL A 33 0.797 14.629 -2.718 1.00 0.00 O ATOM 148 CB VAL A 33 -0.109 17.263 -0.835 1.00 0.00 C ATOM 149 CG1 VAL A 33 -0.880 16.429 0.191 1.00 0.00 C ATOM 150 CG2 VAL A 33 0.233 18.644 -0.273 1.00 0.00 C ATOM 0 H VAL A 33 1.050 17.132 -3.304 1.00 0.00 H new ATOM 0 HA VAL A 33 1.874 16.606 -0.484 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.753 17.405 -1.703 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.772 16.971 0.504 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.171 15.479 -0.257 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.246 16.242 1.058 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.681 19.142 0.049 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.906 18.534 0.578 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.719 19.241 -1.045 1.00 0.00 H new ATOM 160 N CYS A 34 0.859 14.283 -0.484 1.00 0.00 N ATOM 161 CA CYS A 34 0.640 12.850 -0.588 1.00 0.00 C ATOM 162 C CYS A 34 -0.579 12.488 0.263 1.00 0.00 C ATOM 163 O CYS A 34 -0.786 13.058 1.333 1.00 0.00 O ATOM 164 CB CYS A 34 1.881 12.057 -0.173 1.00 0.00 C ATOM 165 SG CYS A 34 2.667 12.840 1.282 1.00 0.00 S ATOM 0 H CYS A 34 0.960 14.631 0.469 1.00 0.00 H new ATOM 0 HA CYS A 34 0.449 12.583 -1.627 1.00 0.00 H new ATOM 0 HB2 CYS A 34 1.604 11.029 0.062 1.00 0.00 H new ATOM 0 HB3 CYS A 34 2.589 12.015 -1.000 1.00 0.00 H new ATOM 0 HG CYS A 34 1.900 13.789 1.731 1.00 0.00 H new ATOM 171 N SER A 35 -1.355 11.541 -0.246 1.00 0.00 N ATOM 172 CA SER A 35 -2.549 11.096 0.454 1.00 0.00 C ATOM 173 C SER A 35 -2.723 9.586 0.282 1.00 0.00 C ATOM 174 O SER A 35 -2.911 9.102 -0.834 1.00 0.00 O ATOM 175 CB SER A 35 -3.790 11.835 -0.051 1.00 0.00 C ATOM 176 OG SER A 35 -4.218 11.353 -1.321 1.00 0.00 O ATOM 0 H SER A 35 -1.180 11.070 -1.134 1.00 0.00 H new ATOM 0 HA SER A 35 -2.430 11.323 1.513 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.599 11.721 0.671 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.573 12.901 -0.122 1.00 0.00 H new ATOM 0 HG SER A 35 -3.777 10.499 -1.512 1.00 0.00 H new ATOM 182 N VAL A 36 -2.654 8.883 1.403 1.00 0.00 N ATOM 183 CA VAL A 36 -2.802 7.438 1.390 1.00 0.00 C ATOM 184 C VAL A 36 -4.245 7.074 1.743 1.00 0.00 C ATOM 185 O VAL A 36 -4.900 7.785 2.503 1.00 0.00 O ATOM 186 CB VAL A 36 -1.777 6.799 2.330 1.00 0.00 C ATOM 187 CG1 VAL A 36 -1.995 7.259 3.773 1.00 0.00 C ATOM 188 CG2 VAL A 36 -1.818 5.273 2.229 1.00 0.00 C ATOM 0 H VAL A 36 -2.498 9.288 2.326 1.00 0.00 H new ATOM 0 HA VAL A 36 -2.602 7.042 0.394 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.786 7.129 2.019 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.254 6.790 4.420 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.892 8.343 3.829 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.995 6.972 4.099 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.080 4.844 2.907 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.812 4.917 2.501 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.591 4.970 1.207 1.00 0.00 H new ATOM 198 N GLU A 37 -4.699 5.967 1.174 1.00 0.00 N ATOM 199 CA GLU A 37 -6.053 5.500 1.419 1.00 0.00 C ATOM 200 C GLU A 37 -6.028 4.200 2.225 1.00 0.00 C ATOM 201 O GLU A 37 -5.296 3.270 1.889 1.00 0.00 O ATOM 202 CB GLU A 37 -6.816 5.316 0.106 1.00 0.00 C ATOM 203 CG GLU A 37 -6.361 4.048 -0.620 1.00 0.00 C ATOM 204 CD GLU A 37 -6.358 4.255 -2.136 1.00 0.00 C ATOM 205 OE1 GLU A 37 -7.205 3.617 -2.797 1.00 0.00 O ATOM 206 OE2 GLU A 37 -5.508 5.047 -2.599 1.00 0.00 O ATOM 0 H GLU A 37 -4.153 5.380 0.544 1.00 0.00 H new ATOM 0 HA GLU A 37 -6.577 6.257 2.002 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.886 5.260 0.308 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -6.658 6.183 -0.535 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.361 3.772 -0.285 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.023 3.221 -0.364 1.00 0.00 H new ATOM 213 N ILE A 38 -6.837 4.176 3.274 1.00 0.00 N ATOM 214 CA ILE A 38 -6.917 3.005 4.131 1.00 0.00 C ATOM 215 C ILE A 38 -8.323 2.910 4.727 1.00 0.00 C ATOM 216 O ILE A 38 -8.571 3.407 5.825 1.00 0.00 O ATOM 217 CB ILE A 38 -5.805 3.033 5.181 1.00 0.00 C ATOM 218 CG1 ILE A 38 -4.519 3.626 4.602 1.00 0.00 C ATOM 219 CG2 ILE A 38 -5.577 1.641 5.775 1.00 0.00 C ATOM 220 CD1 ILE A 38 -3.420 3.693 5.664 1.00 0.00 C ATOM 0 H ILE A 38 -7.443 4.949 3.550 1.00 0.00 H new ATOM 0 HA ILE A 38 -6.754 2.097 3.551 1.00 0.00 H new ATOM 0 HB ILE A 38 -6.121 3.684 5.996 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -4.181 3.020 3.761 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.717 4.626 4.215 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.781 1.689 6.519 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -6.495 1.292 6.248 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -5.292 0.949 4.982 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.517 4.118 5.227 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.752 4.320 6.492 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -3.207 2.689 6.031 1.00 0.00 H new ATOM 232 N GLU A 39 -9.207 2.269 3.977 1.00 0.00 N ATOM 233 CA GLU A 39 -10.582 2.102 4.418 1.00 0.00 C ATOM 234 C GLU A 39 -11.377 3.387 4.174 1.00 0.00 C ATOM 235 O GLU A 39 -12.376 3.639 4.845 1.00 0.00 O ATOM 236 CB GLU A 39 -10.640 1.692 5.891 1.00 0.00 C ATOM 237 CG GLU A 39 -9.603 0.611 6.200 1.00 0.00 C ATOM 238 CD GLU A 39 -10.281 -0.695 6.619 1.00 0.00 C ATOM 239 OE1 GLU A 39 -9.676 -1.408 7.449 1.00 0.00 O ATOM 240 OE2 GLU A 39 -11.389 -0.951 6.100 1.00 0.00 O ATOM 0 H GLU A 39 -8.998 1.859 3.067 1.00 0.00 H new ATOM 0 HA GLU A 39 -11.036 1.301 3.835 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.462 2.563 6.522 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.637 1.323 6.131 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.981 0.437 5.322 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.942 0.953 6.996 1.00 0.00 H new ATOM 247 N GLY A 40 -10.902 4.165 3.213 1.00 0.00 N ATOM 248 CA GLY A 40 -11.556 5.417 2.873 1.00 0.00 C ATOM 249 C GLY A 40 -10.996 6.572 3.706 1.00 0.00 C ATOM 250 O GLY A 40 -11.746 7.436 4.159 1.00 0.00 O ATOM 0 H GLY A 40 -10.072 3.953 2.659 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.417 5.628 1.813 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -12.629 5.329 3.042 1.00 0.00 H new ATOM 254 N SER A 41 -9.683 6.550 3.883 1.00 0.00 N ATOM 255 CA SER A 41 -9.014 7.584 4.653 1.00 0.00 C ATOM 256 C SER A 41 -8.389 8.616 3.712 1.00 0.00 C ATOM 257 O SER A 41 -7.295 8.403 3.191 1.00 0.00 O ATOM 258 CB SER A 41 -7.946 6.984 5.569 1.00 0.00 C ATOM 259 OG SER A 41 -6.908 7.917 5.861 1.00 0.00 O ATOM 0 H SER A 41 -9.065 5.832 3.506 1.00 0.00 H new ATOM 0 HA SER A 41 -9.756 8.078 5.280 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.409 6.654 6.499 1.00 0.00 H new ATOM 0 HB3 SER A 41 -7.517 6.101 5.096 1.00 0.00 H new ATOM 0 HG SER A 41 -6.037 7.484 5.743 1.00 0.00 H new ATOM 265 N ARG A 42 -9.109 9.712 3.524 1.00 0.00 N ATOM 266 CA ARG A 42 -8.638 10.777 2.655 1.00 0.00 C ATOM 267 C ARG A 42 -7.641 11.667 3.399 1.00 0.00 C ATOM 268 O ARG A 42 -7.817 12.882 3.466 1.00 0.00 O ATOM 269 CB ARG A 42 -9.802 11.635 2.155 1.00 0.00 C ATOM 270 CG ARG A 42 -10.605 10.897 1.081 1.00 0.00 C ATOM 271 CD ARG A 42 -12.039 11.425 1.010 1.00 0.00 C ATOM 272 NE ARG A 42 -12.914 10.427 0.355 1.00 0.00 N ATOM 273 CZ ARG A 42 -14.235 10.580 0.188 1.00 0.00 C ATOM 274 NH1 ARG A 42 -14.841 11.691 0.627 1.00 0.00 N ATOM 275 NH2 ARG A 42 -14.949 9.621 -0.417 1.00 0.00 N ATOM 0 H ARG A 42 -10.015 9.886 3.959 1.00 0.00 H new ATOM 0 HA ARG A 42 -8.148 10.314 1.798 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -10.454 11.892 2.990 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.420 12.572 1.749 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.121 11.018 0.112 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -10.617 9.829 1.300 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.406 11.640 2.014 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.063 12.362 0.454 1.00 0.00 H new ATOM 0 HE ARG A 42 -12.485 9.569 0.009 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.297 12.420 1.088 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -15.846 11.808 0.500 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -14.487 8.775 -0.750 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -15.954 9.737 -0.544 1.00 0.00 H new ATOM 289 N HIS A 43 -6.614 11.027 3.940 1.00 0.00 N ATOM 290 CA HIS A 43 -5.588 11.745 4.677 1.00 0.00 C ATOM 291 C HIS A 43 -4.935 12.785 3.764 1.00 0.00 C ATOM 292 O HIS A 43 -5.349 12.960 2.620 1.00 0.00 O ATOM 293 CB HIS A 43 -4.577 10.773 5.288 1.00 0.00 C ATOM 294 CG HIS A 43 -4.646 10.683 6.794 1.00 0.00 C ATOM 295 ND1 HIS A 43 -5.287 9.650 7.454 1.00 0.00 N ATOM 296 CD2 HIS A 43 -4.146 11.506 7.760 1.00 0.00 C ATOM 297 CE1 HIS A 43 -5.173 9.853 8.759 1.00 0.00 C ATOM 298 NE2 HIS A 43 -4.466 11.004 8.946 1.00 0.00 N ATOM 0 H HIS A 43 -6.471 10.019 3.882 1.00 0.00 H new ATOM 0 HA HIS A 43 -6.041 12.279 5.513 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -4.741 9.781 4.867 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -3.572 11.080 4.998 1.00 0.00 H new ATOM 0 HD1 HIS A 43 -5.766 8.866 7.012 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -3.585 12.413 7.589 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -5.570 9.218 9.537 1.00 0.00 H new ATOM 306 N ARG A 44 -3.923 13.448 4.306 1.00 0.00 N ATOM 307 CA ARG A 44 -3.208 14.465 3.555 1.00 0.00 C ATOM 308 C ARG A 44 -1.978 14.934 4.335 1.00 0.00 C ATOM 309 O ARG A 44 -2.092 15.362 5.482 1.00 0.00 O ATOM 310 CB ARG A 44 -4.107 15.668 3.263 1.00 0.00 C ATOM 311 CG ARG A 44 -4.089 16.017 1.773 1.00 0.00 C ATOM 312 CD ARG A 44 -5.501 16.314 1.263 1.00 0.00 C ATOM 313 NE ARG A 44 -5.882 15.328 0.227 1.00 0.00 N ATOM 314 CZ ARG A 44 -6.840 15.532 -0.688 1.00 0.00 C ATOM 315 NH1 ARG A 44 -7.519 16.688 -0.701 1.00 0.00 N ATOM 316 NH2 ARG A 44 -7.118 14.581 -1.589 1.00 0.00 N ATOM 0 H ARG A 44 -3.582 13.300 5.256 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.896 14.021 2.610 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.128 15.448 3.576 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.772 16.526 3.845 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.448 16.883 1.606 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.660 15.190 1.207 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.210 16.278 2.090 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -5.543 17.322 0.851 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.385 14.438 0.208 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -7.306 17.412 -0.015 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -8.248 16.843 -1.397 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.601 13.702 -1.579 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.847 14.736 -2.285 1.00 0.00 H new ATOM 330 N ALA A 45 -0.830 14.838 3.681 1.00 0.00 N ATOM 331 CA ALA A 45 0.420 15.247 4.299 1.00 0.00 C ATOM 332 C ALA A 45 1.442 15.570 3.207 1.00 0.00 C ATOM 333 O ALA A 45 1.296 15.135 2.066 1.00 0.00 O ATOM 334 CB ALA A 45 0.906 14.146 5.244 1.00 0.00 C ATOM 0 H ALA A 45 -0.739 14.483 2.729 1.00 0.00 H new ATOM 0 HA ALA A 45 0.277 16.149 4.894 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.844 14.452 5.708 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.158 13.974 6.018 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.063 13.226 4.681 1.00 0.00 H new ATOM 340 N PRO A 46 2.481 16.352 3.605 1.00 0.00 N ATOM 341 CA PRO A 46 3.527 16.739 2.674 1.00 0.00 C ATOM 342 C PRO A 46 4.471 15.569 2.392 1.00 0.00 C ATOM 343 O PRO A 46 4.869 14.853 3.309 1.00 0.00 O ATOM 344 CB PRO A 46 4.224 17.919 3.333 1.00 0.00 C ATOM 345 CG PRO A 46 3.850 17.854 4.805 1.00 0.00 C ATOM 346 CD PRO A 46 2.687 16.886 4.948 1.00 0.00 C ATOM 0 HA PRO A 46 3.136 17.020 1.696 1.00 0.00 H new ATOM 0 HB2 PRO A 46 5.304 17.858 3.201 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.902 18.861 2.889 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.700 17.520 5.400 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.572 18.842 5.172 1.00 0.00 H new ATOM 0 HD2 PRO A 46 2.918 16.092 5.659 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.794 17.392 5.314 1.00 0.00 H new ATOM 354 N VAL A 47 4.801 15.410 1.118 1.00 0.00 N ATOM 355 CA VAL A 47 5.691 14.339 0.704 1.00 0.00 C ATOM 356 C VAL A 47 7.066 14.549 1.340 1.00 0.00 C ATOM 357 O VAL A 47 7.825 13.597 1.517 1.00 0.00 O ATOM 358 CB VAL A 47 5.744 14.264 -0.823 1.00 0.00 C ATOM 359 CG1 VAL A 47 6.778 13.236 -1.286 1.00 0.00 C ATOM 360 CG2 VAL A 47 4.363 13.953 -1.405 1.00 0.00 C ATOM 0 H VAL A 47 4.468 16.005 0.360 1.00 0.00 H new ATOM 0 HA VAL A 47 5.316 13.376 1.051 1.00 0.00 H new ATOM 0 HB VAL A 47 6.053 15.241 -1.196 1.00 0.00 H new ATOM 0 HG11 VAL A 47 6.795 13.203 -2.375 1.00 0.00 H new ATOM 0 HG12 VAL A 47 7.763 13.519 -0.916 1.00 0.00 H new ATOM 0 HG13 VAL A 47 6.513 12.253 -0.897 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.429 13.905 -2.492 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.013 12.995 -1.020 1.00 0.00 H new ATOM 0 HG23 VAL A 47 3.662 14.737 -1.118 1.00 0.00 H new ATOM 370 N ASP A 48 7.347 15.802 1.667 1.00 0.00 N ATOM 371 CA ASP A 48 8.618 16.149 2.279 1.00 0.00 C ATOM 372 C ASP A 48 8.625 15.672 3.733 1.00 0.00 C ATOM 373 O ASP A 48 9.642 15.774 4.418 1.00 0.00 O ATOM 374 CB ASP A 48 8.834 17.664 2.278 1.00 0.00 C ATOM 375 CG ASP A 48 7.810 18.464 3.084 1.00 0.00 C ATOM 376 OD1 ASP A 48 7.420 19.546 2.593 1.00 0.00 O ATOM 377 OD2 ASP A 48 7.440 17.977 4.174 1.00 0.00 O ATOM 0 H ASP A 48 6.716 16.589 1.519 1.00 0.00 H new ATOM 0 HA ASP A 48 9.411 15.671 1.704 1.00 0.00 H new ATOM 0 HB2 ASP A 48 9.828 17.874 2.672 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.818 18.017 1.247 1.00 0.00 H new ATOM 382 N SER A 49 7.480 15.161 4.161 1.00 0.00 N ATOM 383 CA SER A 49 7.342 14.668 5.521 1.00 0.00 C ATOM 384 C SER A 49 6.967 13.185 5.504 1.00 0.00 C ATOM 385 O SER A 49 6.108 12.750 6.269 1.00 0.00 O ATOM 386 CB SER A 49 6.296 15.472 6.295 1.00 0.00 C ATOM 387 OG SER A 49 6.509 15.410 7.702 1.00 0.00 O ATOM 0 H SER A 49 6.639 15.078 3.590 1.00 0.00 H new ATOM 0 HA SER A 49 8.300 14.788 6.027 1.00 0.00 H new ATOM 0 HB2 SER A 49 6.324 16.512 5.970 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.301 15.092 6.062 1.00 0.00 H new ATOM 0 HG SER A 49 5.822 15.937 8.160 1.00 0.00 H new ATOM 393 N LEU A 50 7.629 12.450 4.622 1.00 0.00 N ATOM 394 CA LEU A 50 7.375 11.025 4.496 1.00 0.00 C ATOM 395 C LEU A 50 8.558 10.247 5.075 1.00 0.00 C ATOM 396 O LEU A 50 9.599 10.828 5.379 1.00 0.00 O ATOM 397 CB LEU A 50 7.054 10.664 3.044 1.00 0.00 C ATOM 398 CG LEU A 50 5.708 11.160 2.511 1.00 0.00 C ATOM 399 CD1 LEU A 50 5.573 10.876 1.014 1.00 0.00 C ATOM 400 CD2 LEU A 50 4.549 10.567 3.314 1.00 0.00 C ATOM 0 H LEU A 50 8.340 12.814 3.988 1.00 0.00 H new ATOM 0 HA LEU A 50 6.494 10.743 5.073 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.844 11.064 2.408 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.084 9.579 2.945 1.00 0.00 H new ATOM 0 HG LEU A 50 5.667 12.242 2.638 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.608 11.238 0.661 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.371 11.385 0.474 1.00 0.00 H new ATOM 0 HD13 LEU A 50 5.644 9.802 0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.604 10.935 2.915 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.575 9.480 3.241 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.641 10.863 4.359 1.00 0.00 H new ATOM 412 N ARG A 51 8.359 8.944 5.212 1.00 0.00 N ATOM 413 CA ARG A 51 9.396 8.081 5.750 1.00 0.00 C ATOM 414 C ARG A 51 9.112 6.621 5.390 1.00 0.00 C ATOM 415 O ARG A 51 7.983 6.152 5.530 1.00 0.00 O ATOM 416 CB ARG A 51 9.490 8.215 7.271 1.00 0.00 C ATOM 417 CG ARG A 51 10.666 9.109 7.671 1.00 0.00 C ATOM 418 CD ARG A 51 11.912 8.274 7.974 1.00 0.00 C ATOM 419 NE ARG A 51 11.810 7.687 9.329 1.00 0.00 N ATOM 420 CZ ARG A 51 12.865 7.306 10.064 1.00 0.00 C ATOM 421 NH1 ARG A 51 14.105 7.447 9.578 1.00 0.00 N ATOM 422 NH2 ARG A 51 12.678 6.784 11.284 1.00 0.00 N ATOM 0 H ARG A 51 7.494 8.465 4.959 1.00 0.00 H new ATOM 0 HA ARG A 51 10.345 8.389 5.310 1.00 0.00 H new ATOM 0 HB2 ARG A 51 8.562 8.633 7.661 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.609 7.229 7.720 1.00 0.00 H new ATOM 0 HG2 ARG A 51 10.882 9.813 6.867 1.00 0.00 H new ATOM 0 HG3 ARG A 51 10.397 9.699 8.547 1.00 0.00 H new ATOM 0 HD2 ARG A 51 12.018 7.482 7.233 1.00 0.00 H new ATOM 0 HD3 ARG A 51 12.803 8.897 7.905 1.00 0.00 H new ATOM 0 HE ARG A 51 10.879 7.565 9.728 1.00 0.00 H new ATOM 0 HH11 ARG A 51 14.247 7.844 8.649 1.00 0.00 H new ATOM 0 HH12 ARG A 51 14.908 7.157 10.137 1.00 0.00 H new ATOM 0 HH21 ARG A 51 11.733 6.677 11.653 1.00 0.00 H new ATOM 0 HH22 ARG A 51 13.480 6.494 11.843 1.00 0.00 H new ATOM 436 N ILE A 52 10.155 5.943 4.934 1.00 0.00 N ATOM 437 CA ILE A 52 10.031 4.546 4.553 1.00 0.00 C ATOM 438 C ILE A 52 10.715 3.672 5.606 1.00 0.00 C ATOM 439 O ILE A 52 11.752 4.047 6.150 1.00 0.00 O ATOM 440 CB ILE A 52 10.562 4.329 3.135 1.00 0.00 C ATOM 441 CG1 ILE A 52 9.704 5.072 2.108 1.00 0.00 C ATOM 442 CG2 ILE A 52 10.675 2.837 2.814 1.00 0.00 C ATOM 443 CD1 ILE A 52 9.806 4.415 0.730 1.00 0.00 C ATOM 0 H ILE A 52 11.090 6.335 4.820 1.00 0.00 H new ATOM 0 HA ILE A 52 8.982 4.250 4.525 1.00 0.00 H new ATOM 0 HB ILE A 52 11.567 4.748 3.079 1.00 0.00 H new ATOM 0 HG12 ILE A 52 8.664 5.080 2.435 1.00 0.00 H new ATOM 0 HG13 ILE A 52 10.026 6.111 2.044 1.00 0.00 H new ATOM 0 HG21 ILE A 52 11.055 2.711 1.800 1.00 0.00 H new ATOM 0 HG22 ILE A 52 11.358 2.364 3.519 1.00 0.00 H new ATOM 0 HG23 ILE A 52 9.692 2.372 2.894 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.187 4.962 0.019 1.00 0.00 H new ATOM 0 HD12 ILE A 52 10.843 4.431 0.395 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.461 3.383 0.792 1.00 0.00 H new ATOM 455 N GLY A 53 10.105 2.524 5.862 1.00 0.00 N ATOM 456 CA GLY A 53 10.643 1.594 6.841 1.00 0.00 C ATOM 457 C GLY A 53 10.506 0.149 6.356 1.00 0.00 C ATOM 458 O GLY A 53 9.976 -0.099 5.274 1.00 0.00 O ATOM 0 H GLY A 53 9.244 2.217 5.409 1.00 0.00 H new ATOM 0 HA2 GLY A 53 11.693 1.822 7.026 1.00 0.00 H new ATOM 0 HA3 GLY A 53 10.119 1.715 7.789 1.00 0.00 H new ATOM 462 N THR A 54 10.993 -0.767 7.181 1.00 0.00 N ATOM 463 CA THR A 54 10.932 -2.180 6.850 1.00 0.00 C ATOM 464 C THR A 54 10.280 -2.967 7.990 1.00 0.00 C ATOM 465 O THR A 54 10.548 -2.705 9.162 1.00 0.00 O ATOM 466 CB THR A 54 12.350 -2.650 6.521 1.00 0.00 C ATOM 467 OG1 THR A 54 12.784 -1.755 5.501 1.00 0.00 O ATOM 468 CG2 THR A 54 12.369 -4.023 5.845 1.00 0.00 C ATOM 0 H THR A 54 11.431 -0.558 8.078 1.00 0.00 H new ATOM 0 HA THR A 54 10.305 -2.355 5.976 1.00 0.00 H new ATOM 0 HB THR A 54 12.942 -2.687 7.436 1.00 0.00 H new ATOM 0 HG1 THR A 54 13.756 -1.643 5.556 1.00 0.00 H new ATOM 0 HG21 THR A 54 13.399 -4.310 5.633 1.00 0.00 H new ATOM 0 HG22 THR A 54 11.916 -4.761 6.507 1.00 0.00 H new ATOM 0 HG23 THR A 54 11.806 -3.977 4.913 1.00 0.00 H new ATOM 476 N ASP A 55 9.438 -3.914 7.606 1.00 0.00 N ATOM 477 CA ASP A 55 8.746 -4.741 8.580 1.00 0.00 C ATOM 478 C ASP A 55 9.419 -6.113 8.648 1.00 0.00 C ATOM 479 O ASP A 55 9.180 -6.968 7.797 1.00 0.00 O ATOM 480 CB ASP A 55 7.283 -4.951 8.185 1.00 0.00 C ATOM 481 CG ASP A 55 6.283 -4.865 9.340 1.00 0.00 C ATOM 482 OD1 ASP A 55 5.090 -4.642 9.041 1.00 0.00 O ATOM 483 OD2 ASP A 55 6.734 -5.024 10.495 1.00 0.00 O ATOM 0 H ASP A 55 9.219 -4.128 6.633 1.00 0.00 H new ATOM 0 HA ASP A 55 8.790 -4.234 9.544 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.014 -4.207 7.435 1.00 0.00 H new ATOM 0 HB3 ASP A 55 7.186 -5.929 7.713 1.00 0.00 H new ATOM 488 N ALA A 56 10.248 -6.280 9.669 1.00 0.00 N ATOM 489 CA ALA A 56 10.957 -7.534 9.859 1.00 0.00 C ATOM 490 C ALA A 56 9.948 -8.647 10.150 1.00 0.00 C ATOM 491 O ALA A 56 10.290 -9.828 10.104 1.00 0.00 O ATOM 492 CB ALA A 56 11.987 -7.373 10.978 1.00 0.00 C ATOM 0 H ALA A 56 10.444 -5.568 10.373 1.00 0.00 H new ATOM 0 HA ALA A 56 11.499 -7.810 8.954 1.00 0.00 H new ATOM 0 HB1 ALA A 56 12.519 -8.314 11.121 1.00 0.00 H new ATOM 0 HB2 ALA A 56 12.697 -6.591 10.709 1.00 0.00 H new ATOM 0 HB3 ALA A 56 11.480 -7.099 11.903 1.00 0.00 H new ATOM 498 N GLU A 57 8.725 -8.231 10.445 1.00 0.00 N ATOM 499 CA GLU A 57 7.664 -9.177 10.744 1.00 0.00 C ATOM 500 C GLU A 57 7.428 -10.105 9.550 1.00 0.00 C ATOM 501 O GLU A 57 7.221 -11.305 9.724 1.00 0.00 O ATOM 502 CB GLU A 57 6.376 -8.451 11.138 1.00 0.00 C ATOM 503 CG GLU A 57 5.639 -9.204 12.247 1.00 0.00 C ATOM 504 CD GLU A 57 4.327 -9.797 11.729 1.00 0.00 C ATOM 505 OE1 GLU A 57 4.306 -10.174 10.537 1.00 0.00 O ATOM 506 OE2 GLU A 57 3.375 -9.859 12.536 1.00 0.00 O ATOM 0 H GLU A 57 8.445 -7.251 10.483 1.00 0.00 H new ATOM 0 HA GLU A 57 7.974 -9.784 11.595 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.612 -7.441 11.474 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.728 -8.354 10.267 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.274 -10.000 12.635 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.434 -8.527 13.077 1.00 0.00 H new ATOM 513 N ALA A 58 7.467 -9.513 8.365 1.00 0.00 N ATOM 514 CA ALA A 58 7.260 -10.271 7.143 1.00 0.00 C ATOM 515 C ALA A 58 8.338 -9.894 6.125 1.00 0.00 C ATOM 516 O ALA A 58 8.250 -10.265 4.956 1.00 0.00 O ATOM 517 CB ALA A 58 5.847 -10.015 6.617 1.00 0.00 C ATOM 0 H ALA A 58 7.639 -8.517 8.225 1.00 0.00 H new ATOM 0 HA ALA A 58 7.348 -11.340 7.335 1.00 0.00 H new ATOM 0 HB1 ALA A 58 5.691 -10.584 5.700 1.00 0.00 H new ATOM 0 HB2 ALA A 58 5.118 -10.327 7.365 1.00 0.00 H new ATOM 0 HB3 ALA A 58 5.723 -8.952 6.410 1.00 0.00 H new ATOM 523 N ARG A 59 9.332 -9.162 6.608 1.00 0.00 N ATOM 524 CA ARG A 59 10.426 -8.731 5.754 1.00 0.00 C ATOM 525 C ARG A 59 9.885 -7.984 4.534 1.00 0.00 C ATOM 526 O ARG A 59 10.244 -8.297 3.400 1.00 0.00 O ATOM 527 CB ARG A 59 11.261 -9.924 5.284 1.00 0.00 C ATOM 528 CG ARG A 59 12.650 -9.475 4.827 1.00 0.00 C ATOM 529 CD ARG A 59 13.055 -10.179 3.530 1.00 0.00 C ATOM 530 NE ARG A 59 12.674 -9.350 2.364 1.00 0.00 N ATOM 531 CZ ARG A 59 13.170 -9.515 1.131 1.00 0.00 C ATOM 532 NH1 ARG A 59 14.070 -10.479 0.894 1.00 0.00 N ATOM 533 NH2 ARG A 59 12.766 -8.716 0.133 1.00 0.00 N ATOM 0 H ARG A 59 9.402 -8.857 7.579 1.00 0.00 H new ATOM 0 HA ARG A 59 11.061 -8.066 6.339 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.357 -10.647 6.094 1.00 0.00 H new ATOM 0 HB3 ARG A 59 10.750 -10.429 4.464 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.656 -8.396 4.676 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.381 -9.692 5.606 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.130 -10.358 3.524 1.00 0.00 H new ATOM 0 HD3 ARG A 59 12.570 -11.153 3.468 1.00 0.00 H new ATOM 0 HE ARG A 59 11.991 -8.607 2.509 1.00 0.00 H new ATOM 0 HH11 ARG A 59 14.377 -11.087 1.653 1.00 0.00 H new ATOM 0 HH12 ARG A 59 14.448 -10.604 -0.045 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.081 -7.982 0.313 1.00 0.00 H new ATOM 0 HH22 ARG A 59 13.144 -8.842 -0.806 1.00 0.00 H new ATOM 547 N LEU A 60 9.030 -7.010 4.808 1.00 0.00 N ATOM 548 CA LEU A 60 8.436 -6.215 3.747 1.00 0.00 C ATOM 549 C LEU A 60 8.598 -4.730 4.075 1.00 0.00 C ATOM 550 O LEU A 60 8.866 -4.369 5.221 1.00 0.00 O ATOM 551 CB LEU A 60 6.984 -6.637 3.510 1.00 0.00 C ATOM 552 CG LEU A 60 6.774 -8.074 3.028 1.00 0.00 C ATOM 553 CD1 LEU A 60 5.284 -8.396 2.895 1.00 0.00 C ATOM 554 CD2 LEU A 60 7.534 -8.332 1.725 1.00 0.00 C ATOM 0 H LEU A 60 8.734 -6.753 5.750 1.00 0.00 H new ATOM 0 HA LEU A 60 8.954 -6.392 2.804 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.431 -6.502 4.439 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.545 -5.961 2.776 1.00 0.00 H new ATOM 0 HG LEU A 60 7.184 -8.749 3.779 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.163 -9.423 2.551 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.798 -8.278 3.864 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.828 -7.716 2.175 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.368 -9.360 1.404 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.177 -7.649 0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.600 -8.170 1.887 1.00 0.00 H new ATOM 566 N SER A 61 8.428 -3.907 3.050 1.00 0.00 N ATOM 567 CA SER A 61 8.553 -2.469 3.216 1.00 0.00 C ATOM 568 C SER A 61 7.264 -1.897 3.810 1.00 0.00 C ATOM 569 O SER A 61 6.172 -2.378 3.511 1.00 0.00 O ATOM 570 CB SER A 61 8.871 -1.787 1.884 1.00 0.00 C ATOM 571 OG SER A 61 7.768 -1.831 0.984 1.00 0.00 O ATOM 0 H SER A 61 8.205 -4.209 2.102 1.00 0.00 H new ATOM 0 HA SER A 61 9.379 -2.274 3.900 1.00 0.00 H new ATOM 0 HB2 SER A 61 9.149 -0.749 2.066 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.733 -2.272 1.425 1.00 0.00 H new ATOM 0 HG SER A 61 8.011 -1.384 0.147 1.00 0.00 H new ATOM 577 N VAL A 62 7.433 -0.880 4.642 1.00 0.00 N ATOM 578 CA VAL A 62 6.297 -0.238 5.280 1.00 0.00 C ATOM 579 C VAL A 62 6.363 1.271 5.032 1.00 0.00 C ATOM 580 O VAL A 62 7.375 1.781 4.553 1.00 0.00 O ATOM 581 CB VAL A 62 6.260 -0.598 6.767 1.00 0.00 C ATOM 582 CG1 VAL A 62 5.599 -1.960 6.985 1.00 0.00 C ATOM 583 CG2 VAL A 62 7.665 -0.566 7.374 1.00 0.00 C ATOM 0 H VAL A 62 8.340 -0.485 4.889 1.00 0.00 H new ATOM 0 HA VAL A 62 5.363 -0.598 4.848 1.00 0.00 H new ATOM 0 HB VAL A 62 5.657 0.152 7.279 1.00 0.00 H new ATOM 0 HG11 VAL A 62 5.586 -2.192 8.050 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.577 -1.933 6.607 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.163 -2.727 6.454 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.611 -0.825 8.431 1.00 0.00 H new ATOM 0 HG22 VAL A 62 8.301 -1.284 6.856 1.00 0.00 H new ATOM 0 HG23 VAL A 62 8.085 0.434 7.267 1.00 0.00 H new ATOM 593 N LEU A 63 5.272 1.942 5.369 1.00 0.00 N ATOM 594 CA LEU A 63 5.193 3.382 5.188 1.00 0.00 C ATOM 595 C LEU A 63 5.022 4.054 6.552 1.00 0.00 C ATOM 596 O LEU A 63 4.250 3.584 7.387 1.00 0.00 O ATOM 597 CB LEU A 63 4.094 3.737 4.186 1.00 0.00 C ATOM 598 CG LEU A 63 3.561 5.169 4.253 1.00 0.00 C ATOM 599 CD1 LEU A 63 2.527 5.317 5.372 1.00 0.00 C ATOM 600 CD2 LEU A 63 4.706 6.174 4.395 1.00 0.00 C ATOM 0 H LEU A 63 4.435 1.516 5.766 1.00 0.00 H new ATOM 0 HA LEU A 63 6.119 3.763 4.758 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.476 3.559 3.181 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.259 3.053 4.335 1.00 0.00 H new ATOM 0 HG LEU A 63 3.054 5.389 3.314 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.164 6.344 5.398 1.00 0.00 H new ATOM 0 HD12 LEU A 63 1.692 4.641 5.187 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.988 5.071 6.328 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.300 7.184 4.440 1.00 0.00 H new ATOM 0 HD22 LEU A 63 5.262 5.965 5.309 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.373 6.089 3.537 1.00 0.00 H new ATOM 612 N TYR A 64 5.755 5.142 6.736 1.00 0.00 N ATOM 613 CA TYR A 64 5.694 5.883 7.984 1.00 0.00 C ATOM 614 C TYR A 64 5.234 7.323 7.745 1.00 0.00 C ATOM 615 O TYR A 64 5.921 8.096 7.080 1.00 0.00 O ATOM 616 CB TYR A 64 7.122 5.902 8.534 1.00 0.00 C ATOM 617 CG TYR A 64 7.380 4.866 9.630 1.00 0.00 C ATOM 618 CD1 TYR A 64 7.364 5.247 10.956 1.00 0.00 C ATOM 619 CD2 TYR A 64 7.630 3.552 9.292 1.00 0.00 C ATOM 620 CE1 TYR A 64 7.607 4.272 11.988 1.00 0.00 C ATOM 621 CE2 TYR A 64 7.874 2.577 10.324 1.00 0.00 C ATOM 622 CZ TYR A 64 7.850 2.985 11.621 1.00 0.00 C ATOM 623 OH TYR A 64 8.080 2.065 12.595 1.00 0.00 O ATOM 0 H TYR A 64 6.394 5.528 6.041 1.00 0.00 H new ATOM 0 HA TYR A 64 4.987 5.418 8.671 1.00 0.00 H new ATOM 0 HB2 TYR A 64 7.819 5.729 7.714 1.00 0.00 H new ATOM 0 HB3 TYR A 64 7.335 6.895 8.930 1.00 0.00 H new ATOM 0 HD1 TYR A 64 7.169 6.276 11.220 1.00 0.00 H new ATOM 0 HD2 TYR A 64 7.643 3.254 8.254 1.00 0.00 H new ATOM 0 HE1 TYR A 64 7.596 4.556 13.030 1.00 0.00 H new ATOM 0 HE2 TYR A 64 8.072 1.545 10.073 1.00 0.00 H new ATOM 0 HH TYR A 64 8.237 1.188 12.186 1.00 0.00 H new ATOM 633 N ILE A 65 4.073 7.639 8.301 1.00 0.00 N ATOM 634 CA ILE A 65 3.513 8.971 8.157 1.00 0.00 C ATOM 635 C ILE A 65 2.952 9.433 9.504 1.00 0.00 C ATOM 636 O ILE A 65 1.853 9.039 9.890 1.00 0.00 O ATOM 637 CB ILE A 65 2.488 9.002 7.021 1.00 0.00 C ATOM 638 CG1 ILE A 65 1.820 10.375 6.922 1.00 0.00 C ATOM 639 CG2 ILE A 65 1.464 7.876 7.177 1.00 0.00 C ATOM 640 CD1 ILE A 65 0.996 10.492 5.638 1.00 0.00 C ATOM 0 H ILE A 65 3.505 6.995 8.852 1.00 0.00 H new ATOM 0 HA ILE A 65 4.290 9.682 7.874 1.00 0.00 H new ATOM 0 HB ILE A 65 3.014 8.832 6.081 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.176 10.534 7.787 1.00 0.00 H new ATOM 0 HG13 ILE A 65 2.580 11.156 6.943 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.747 7.920 6.357 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.976 6.914 7.160 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.939 7.991 8.125 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.532 11.477 5.592 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.647 10.357 4.774 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.221 9.725 5.632 1.00 0.00 H new ATOM 652 N ASP A 66 3.733 10.262 10.181 1.00 0.00 N ATOM 653 CA ASP A 66 3.329 10.781 11.476 1.00 0.00 C ATOM 654 C ASP A 66 3.147 9.617 12.453 1.00 0.00 C ATOM 655 O ASP A 66 2.021 9.254 12.789 1.00 0.00 O ATOM 656 CB ASP A 66 1.997 11.528 11.379 1.00 0.00 C ATOM 657 CG ASP A 66 2.116 13.049 11.270 1.00 0.00 C ATOM 658 OD1 ASP A 66 2.596 13.653 12.254 1.00 0.00 O ATOM 659 OD2 ASP A 66 1.724 13.575 10.206 1.00 0.00 O ATOM 0 H ASP A 66 4.644 10.587 9.857 1.00 0.00 H new ATOM 0 HA ASP A 66 4.103 11.466 11.821 1.00 0.00 H new ATOM 0 HB2 ASP A 66 1.452 11.158 10.510 1.00 0.00 H new ATOM 0 HB3 ASP A 66 1.398 11.287 12.257 1.00 0.00 H new ATOM 664 N GLY A 67 4.273 9.065 12.882 1.00 0.00 N ATOM 665 CA GLY A 67 4.252 7.950 13.814 1.00 0.00 C ATOM 666 C GLY A 67 3.270 6.871 13.355 1.00 0.00 C ATOM 667 O GLY A 67 2.343 6.520 14.084 1.00 0.00 O ATOM 0 H GLY A 67 5.205 9.369 12.601 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.252 7.524 13.900 1.00 0.00 H new ATOM 0 HA3 GLY A 67 3.971 8.305 14.805 1.00 0.00 H new ATOM 671 N LYS A 68 3.506 6.375 12.150 1.00 0.00 N ATOM 672 CA LYS A 68 2.653 5.342 11.585 1.00 0.00 C ATOM 673 C LYS A 68 3.523 4.194 11.070 1.00 0.00 C ATOM 674 O LYS A 68 4.711 4.378 10.812 1.00 0.00 O ATOM 675 CB LYS A 68 1.725 5.935 10.523 1.00 0.00 C ATOM 676 CG LYS A 68 0.312 6.131 11.077 1.00 0.00 C ATOM 677 CD LYS A 68 -0.740 5.888 9.993 1.00 0.00 C ATOM 678 CE LYS A 68 -2.152 6.096 10.544 1.00 0.00 C ATOM 679 NZ LYS A 68 -3.003 4.921 10.250 1.00 0.00 N ATOM 0 H LYS A 68 4.276 6.669 11.548 1.00 0.00 H new ATOM 0 HA LYS A 68 1.998 4.927 12.351 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.121 6.891 10.182 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.691 5.276 9.656 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.146 5.448 11.910 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.208 7.143 11.469 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.569 6.565 9.156 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.642 4.873 9.607 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -2.108 6.260 11.621 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -2.592 6.990 10.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -3.958 5.080 10.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.060 4.782 9.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.590 4.074 10.691 1.00 0.00 H new ATOM 693 N ARG A 69 2.896 3.034 10.936 1.00 0.00 N ATOM 694 CA ARG A 69 3.598 1.855 10.456 1.00 0.00 C ATOM 695 C ARG A 69 2.626 0.911 9.747 1.00 0.00 C ATOM 696 O ARG A 69 1.831 0.232 10.394 1.00 0.00 O ATOM 697 CB ARG A 69 4.274 1.110 11.609 1.00 0.00 C ATOM 698 CG ARG A 69 5.368 0.174 11.090 1.00 0.00 C ATOM 699 CD ARG A 69 4.791 -1.195 10.724 1.00 0.00 C ATOM 700 NE ARG A 69 5.351 -2.234 11.617 1.00 0.00 N ATOM 701 CZ ARG A 69 4.851 -3.472 11.733 1.00 0.00 C ATOM 702 NH1 ARG A 69 3.779 -3.833 11.015 1.00 0.00 N ATOM 703 NH2 ARG A 69 5.424 -4.350 12.568 1.00 0.00 N ATOM 0 H ARG A 69 1.910 2.885 11.151 1.00 0.00 H new ATOM 0 HA ARG A 69 4.364 2.187 9.755 1.00 0.00 H new ATOM 0 HB2 ARG A 69 4.705 1.827 12.307 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.530 0.535 12.161 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.846 0.617 10.216 1.00 0.00 H new ATOM 0 HG3 ARG A 69 6.141 0.056 11.850 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.705 -1.176 10.811 1.00 0.00 H new ATOM 0 HD3 ARG A 69 5.024 -1.432 9.686 1.00 0.00 H new ATOM 0 HE ARG A 69 6.168 -1.993 12.179 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.343 -3.165 10.379 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.399 -4.776 11.104 1.00 0.00 H new ATOM 0 HH21 ARG A 69 6.240 -4.076 13.115 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.044 -5.292 12.657 1.00 0.00 H new ATOM 717 N LEU A 70 2.723 0.897 8.426 1.00 0.00 N ATOM 718 CA LEU A 70 1.862 0.046 7.621 1.00 0.00 C ATOM 719 C LEU A 70 2.650 -0.479 6.420 1.00 0.00 C ATOM 720 O LEU A 70 3.773 -0.043 6.171 1.00 0.00 O ATOM 721 CB LEU A 70 0.581 0.790 7.239 1.00 0.00 C ATOM 722 CG LEU A 70 0.593 1.492 5.879 1.00 0.00 C ATOM 723 CD1 LEU A 70 -0.375 0.817 4.905 1.00 0.00 C ATOM 724 CD2 LEU A 70 0.304 2.986 6.030 1.00 0.00 C ATOM 0 H LEU A 70 3.384 1.461 7.892 1.00 0.00 H new ATOM 0 HA LEU A 70 1.540 -0.823 8.195 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.246 0.080 7.252 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.374 1.534 8.008 1.00 0.00 H new ATOM 0 HG LEU A 70 1.593 1.399 5.456 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.347 1.335 3.946 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.082 -0.223 4.764 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -1.386 0.858 5.310 1.00 0.00 H new ATOM 0 HD21 LEU A 70 0.319 3.460 5.049 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.677 3.123 6.485 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.064 3.441 6.664 1.00 0.00 H new ATOM 736 N HIS A 71 2.031 -1.408 5.707 1.00 0.00 N ATOM 737 CA HIS A 71 2.660 -1.998 4.537 1.00 0.00 C ATOM 738 C HIS A 71 2.032 -1.418 3.269 1.00 0.00 C ATOM 739 O HIS A 71 0.812 -1.437 3.111 1.00 0.00 O ATOM 740 CB HIS A 71 2.585 -3.525 4.591 1.00 0.00 C ATOM 741 CG HIS A 71 1.470 -4.114 3.761 1.00 0.00 C ATOM 742 ND1 HIS A 71 0.159 -4.173 4.200 1.00 0.00 N ATOM 743 CD2 HIS A 71 1.484 -4.669 2.515 1.00 0.00 C ATOM 744 CE1 HIS A 71 -0.574 -4.741 3.253 1.00 0.00 C ATOM 745 NE2 HIS A 71 0.249 -5.048 2.210 1.00 0.00 N ATOM 0 H HIS A 71 1.100 -1.767 5.917 1.00 0.00 H new ATOM 0 HA HIS A 71 3.720 -1.745 4.524 1.00 0.00 H new ATOM 0 HB2 HIS A 71 3.535 -3.938 4.250 1.00 0.00 H new ATOM 0 HB3 HIS A 71 2.456 -3.836 5.628 1.00 0.00 H new ATOM 0 HD2 HIS A 71 2.353 -4.781 1.883 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -1.637 -4.928 3.299 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -0.037 -5.495 1.339 1.00 0.00 H new ATOM 753 N ILE A 72 2.893 -0.915 2.396 1.00 0.00 N ATOM 754 CA ILE A 72 2.438 -0.331 1.147 1.00 0.00 C ATOM 755 C ILE A 72 3.017 -1.126 -0.025 1.00 0.00 C ATOM 756 O ILE A 72 3.868 -1.993 0.170 1.00 0.00 O ATOM 757 CB ILE A 72 2.771 1.162 1.100 1.00 0.00 C ATOM 758 CG1 ILE A 72 4.274 1.394 1.272 1.00 0.00 C ATOM 759 CG2 ILE A 72 1.950 1.939 2.131 1.00 0.00 C ATOM 760 CD1 ILE A 72 4.800 2.374 0.222 1.00 0.00 C ATOM 0 H ILE A 72 3.904 -0.900 2.530 1.00 0.00 H new ATOM 0 HA ILE A 72 1.353 -0.395 1.071 1.00 0.00 H new ATOM 0 HB ILE A 72 2.497 1.543 0.116 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.474 1.783 2.270 1.00 0.00 H new ATOM 0 HG13 ILE A 72 4.804 0.445 1.188 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.206 2.997 2.077 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.888 1.811 1.922 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.171 1.563 3.130 1.00 0.00 H new ATOM 0 HD11 ILE A 72 5.870 2.522 0.366 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.620 1.971 -0.775 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.285 3.329 0.325 1.00 0.00 H new ATOM 772 N SER A 73 2.531 -0.805 -1.215 1.00 0.00 N ATOM 773 CA SER A 73 2.990 -1.479 -2.417 1.00 0.00 C ATOM 774 C SER A 73 4.479 -1.203 -2.636 1.00 0.00 C ATOM 775 O SER A 73 4.966 -0.118 -2.323 1.00 0.00 O ATOM 776 CB SER A 73 2.183 -1.036 -3.639 1.00 0.00 C ATOM 777 OG SER A 73 3.024 -0.615 -4.710 1.00 0.00 O ATOM 0 H SER A 73 1.824 -0.087 -1.372 1.00 0.00 H new ATOM 0 HA SER A 73 2.841 -2.551 -2.286 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.553 -1.859 -3.975 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.518 -0.220 -3.358 1.00 0.00 H new ATOM 0 HG SER A 73 2.471 -0.342 -5.472 1.00 0.00 H new ATOM 783 N GLU A 74 5.161 -2.204 -3.173 1.00 0.00 N ATOM 784 CA GLU A 74 6.585 -2.083 -3.437 1.00 0.00 C ATOM 785 C GLU A 74 6.849 -0.923 -4.400 1.00 0.00 C ATOM 786 O GLU A 74 7.760 -0.126 -4.182 1.00 0.00 O ATOM 787 CB GLU A 74 7.154 -3.393 -3.987 1.00 0.00 C ATOM 788 CG GLU A 74 6.829 -3.550 -5.474 1.00 0.00 C ATOM 789 CD GLU A 74 7.268 -4.922 -5.989 1.00 0.00 C ATOM 790 OE1 GLU A 74 6.604 -5.910 -5.608 1.00 0.00 O ATOM 791 OE2 GLU A 74 8.258 -4.952 -6.751 1.00 0.00 O ATOM 0 H GLU A 74 4.754 -3.103 -3.433 1.00 0.00 H new ATOM 0 HA GLU A 74 7.093 -1.872 -2.496 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.234 -3.413 -3.843 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.742 -4.235 -3.430 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.758 -3.424 -5.631 1.00 0.00 H new ATOM 0 HG3 GLU A 74 7.329 -2.767 -6.044 1.00 0.00 H new ATOM 798 N GLU A 75 6.036 -0.866 -5.444 1.00 0.00 N ATOM 799 CA GLU A 75 6.170 0.183 -6.440 1.00 0.00 C ATOM 800 C GLU A 75 5.774 1.535 -5.844 1.00 0.00 C ATOM 801 O GLU A 75 6.378 2.559 -6.163 1.00 0.00 O ATOM 802 CB GLU A 75 5.337 -0.133 -7.684 1.00 0.00 C ATOM 803 CG GLU A 75 5.571 0.909 -8.780 1.00 0.00 C ATOM 804 CD GLU A 75 6.444 0.340 -9.900 1.00 0.00 C ATOM 805 OE1 GLU A 75 6.167 -0.808 -10.308 1.00 0.00 O ATOM 806 OE2 GLU A 75 7.369 1.067 -10.324 1.00 0.00 O ATOM 0 H GLU A 75 5.282 -1.529 -5.622 1.00 0.00 H new ATOM 0 HA GLU A 75 7.215 0.235 -6.746 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.596 -1.124 -8.058 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.279 -0.158 -7.421 1.00 0.00 H new ATOM 0 HG2 GLU A 75 4.614 1.233 -9.189 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.050 1.790 -8.353 1.00 0.00 H new ATOM 813 N ASP A 76 4.763 1.496 -4.990 1.00 0.00 N ATOM 814 CA ASP A 76 4.279 2.706 -4.347 1.00 0.00 C ATOM 815 C ASP A 76 5.306 3.174 -3.313 1.00 0.00 C ATOM 816 O ASP A 76 5.388 4.362 -3.008 1.00 0.00 O ATOM 817 CB ASP A 76 2.957 2.453 -3.619 1.00 0.00 C ATOM 818 CG ASP A 76 1.715 3.000 -4.325 1.00 0.00 C ATOM 819 OD1 ASP A 76 0.604 2.670 -3.857 1.00 0.00 O ATOM 820 OD2 ASP A 76 1.905 3.737 -5.317 1.00 0.00 O ATOM 0 H ASP A 76 4.265 0.645 -4.728 1.00 0.00 H new ATOM 0 HA ASP A 76 4.126 3.460 -5.119 1.00 0.00 H new ATOM 0 HB2 ASP A 76 2.835 1.379 -3.482 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.016 2.896 -2.625 1.00 0.00 H new ATOM 825 N ALA A 77 6.063 2.214 -2.802 1.00 0.00 N ATOM 826 CA ALA A 77 7.080 2.512 -1.808 1.00 0.00 C ATOM 827 C ALA A 77 8.274 3.181 -2.493 1.00 0.00 C ATOM 828 O ALA A 77 8.986 3.972 -1.875 1.00 0.00 O ATOM 829 CB ALA A 77 7.473 1.227 -1.077 1.00 0.00 C ATOM 0 H ALA A 77 5.992 1.229 -3.058 1.00 0.00 H new ATOM 0 HA ALA A 77 6.695 3.206 -1.061 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.236 1.451 -0.332 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.597 0.806 -0.584 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.867 0.507 -1.794 1.00 0.00 H new ATOM 835 N GLN A 78 8.457 2.840 -3.760 1.00 0.00 N ATOM 836 CA GLN A 78 9.552 3.398 -4.535 1.00 0.00 C ATOM 837 C GLN A 78 9.222 4.828 -4.966 1.00 0.00 C ATOM 838 O GLN A 78 10.074 5.713 -4.895 1.00 0.00 O ATOM 839 CB GLN A 78 9.870 2.519 -5.746 1.00 0.00 C ATOM 840 CG GLN A 78 11.017 3.111 -6.567 1.00 0.00 C ATOM 841 CD GLN A 78 10.578 3.380 -8.008 1.00 0.00 C ATOM 842 OE1 GLN A 78 10.600 2.510 -8.863 1.00 0.00 O ATOM 843 NE2 GLN A 78 10.181 4.630 -8.229 1.00 0.00 N ATOM 0 H GLN A 78 7.865 2.184 -4.269 1.00 0.00 H new ATOM 0 HA GLN A 78 10.441 3.426 -3.905 1.00 0.00 H new ATOM 0 HB2 GLN A 78 10.137 1.516 -5.412 1.00 0.00 H new ATOM 0 HB3 GLN A 78 8.983 2.421 -6.372 1.00 0.00 H new ATOM 0 HG2 GLN A 78 11.357 4.039 -6.107 1.00 0.00 H new ATOM 0 HG3 GLN A 78 11.864 2.425 -6.563 1.00 0.00 H new ATOM 0 HE21 GLN A 78 10.187 5.309 -7.468 1.00 0.00 H new ATOM 0 HE22 GLN A 78 9.870 4.909 -9.159 1.00 0.00 H new ATOM 852 N ARG A 79 7.985 5.010 -5.403 1.00 0.00 N ATOM 853 CA ARG A 79 7.533 6.318 -5.846 1.00 0.00 C ATOM 854 C ARG A 79 7.662 7.337 -4.712 1.00 0.00 C ATOM 855 O ARG A 79 7.971 8.503 -4.952 1.00 0.00 O ATOM 856 CB ARG A 79 6.077 6.268 -6.314 1.00 0.00 C ATOM 857 CG ARG A 79 5.971 6.572 -7.810 1.00 0.00 C ATOM 858 CD ARG A 79 4.528 6.430 -8.298 1.00 0.00 C ATOM 859 NE ARG A 79 4.407 6.947 -9.679 1.00 0.00 N ATOM 860 CZ ARG A 79 3.280 6.903 -10.402 1.00 0.00 C ATOM 861 NH1 ARG A 79 2.170 6.365 -9.879 1.00 0.00 N ATOM 862 NH2 ARG A 79 3.263 7.396 -11.648 1.00 0.00 N ATOM 0 H ARG A 79 7.281 4.274 -5.460 1.00 0.00 H new ATOM 0 HA ARG A 79 8.162 6.620 -6.683 1.00 0.00 H new ATOM 0 HB2 ARG A 79 5.659 5.282 -6.109 1.00 0.00 H new ATOM 0 HB3 ARG A 79 5.485 6.989 -5.750 1.00 0.00 H new ATOM 0 HG2 ARG A 79 6.327 7.584 -8.005 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.616 5.894 -8.369 1.00 0.00 H new ATOM 0 HD2 ARG A 79 4.226 5.383 -8.265 1.00 0.00 H new ATOM 0 HD3 ARG A 79 3.856 6.977 -7.636 1.00 0.00 H new ATOM 0 HE ARG A 79 5.234 7.363 -10.108 1.00 0.00 H new ATOM 0 HH11 ARG A 79 2.183 5.989 -8.931 1.00 0.00 H new ATOM 0 HH12 ARG A 79 1.312 6.331 -10.429 1.00 0.00 H new ATOM 0 HH21 ARG A 79 4.108 7.805 -12.046 1.00 0.00 H new ATOM 0 HH22 ARG A 79 2.405 7.362 -12.198 1.00 0.00 H new ATOM 876 N LEU A 80 7.418 6.859 -3.500 1.00 0.00 N ATOM 877 CA LEU A 80 7.503 7.713 -2.328 1.00 0.00 C ATOM 878 C LEU A 80 8.881 8.377 -2.285 1.00 0.00 C ATOM 879 O LEU A 80 8.987 9.580 -2.048 1.00 0.00 O ATOM 880 CB LEU A 80 7.161 6.923 -1.063 1.00 0.00 C ATOM 881 CG LEU A 80 5.673 6.673 -0.810 1.00 0.00 C ATOM 882 CD1 LEU A 80 5.469 5.757 0.399 1.00 0.00 C ATOM 883 CD2 LEU A 80 4.913 7.993 -0.664 1.00 0.00 C ATOM 0 H LEU A 80 7.162 5.891 -3.305 1.00 0.00 H new ATOM 0 HA LEU A 80 6.765 8.513 -2.385 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.668 5.959 -1.112 1.00 0.00 H new ATOM 0 HB3 LEU A 80 7.571 7.455 -0.204 1.00 0.00 H new ATOM 0 HG LEU A 80 5.260 6.158 -1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.403 5.595 0.557 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.958 4.800 0.217 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.901 6.222 1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.858 7.787 -0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.320 8.557 0.175 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.019 8.577 -1.578 1.00 0.00 H new ATOM 895 N VAL A 81 9.901 7.565 -2.518 1.00 0.00 N ATOM 896 CA VAL A 81 11.268 8.059 -2.509 1.00 0.00 C ATOM 897 C VAL A 81 11.460 9.037 -3.669 1.00 0.00 C ATOM 898 O VAL A 81 11.980 10.136 -3.479 1.00 0.00 O ATOM 899 CB VAL A 81 12.248 6.885 -2.548 1.00 0.00 C ATOM 900 CG1 VAL A 81 13.695 7.375 -2.454 1.00 0.00 C ATOM 901 CG2 VAL A 81 11.939 5.874 -1.442 1.00 0.00 C ATOM 0 H VAL A 81 9.809 6.568 -2.714 1.00 0.00 H new ATOM 0 HA VAL A 81 11.471 8.605 -1.588 1.00 0.00 H new ATOM 0 HB VAL A 81 12.126 6.380 -3.506 1.00 0.00 H new ATOM 0 HG11 VAL A 81 14.371 6.521 -2.484 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.910 8.037 -3.292 1.00 0.00 H new ATOM 0 HG13 VAL A 81 13.836 7.916 -1.519 1.00 0.00 H new ATOM 0 HG21 VAL A 81 12.651 5.050 -1.493 1.00 0.00 H new ATOM 0 HG22 VAL A 81 12.018 6.362 -0.471 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.928 5.489 -1.573 1.00 0.00 H new ATOM 911 N VAL A 82 11.028 8.604 -4.844 1.00 0.00 N ATOM 912 CA VAL A 82 11.146 9.428 -6.035 1.00 0.00 C ATOM 913 C VAL A 82 10.449 10.769 -5.793 1.00 0.00 C ATOM 914 O VAL A 82 10.919 11.808 -6.253 1.00 0.00 O ATOM 915 CB VAL A 82 10.594 8.677 -7.248 1.00 0.00 C ATOM 916 CG1 VAL A 82 10.428 9.616 -8.445 1.00 0.00 C ATOM 917 CG2 VAL A 82 11.482 7.484 -7.606 1.00 0.00 C ATOM 0 H VAL A 82 10.596 7.693 -4.997 1.00 0.00 H new ATOM 0 HA VAL A 82 12.193 9.640 -6.251 1.00 0.00 H new ATOM 0 HB VAL A 82 9.609 8.293 -6.984 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.034 9.057 -9.294 1.00 0.00 H new ATOM 0 HG12 VAL A 82 9.736 10.417 -8.186 1.00 0.00 H new ATOM 0 HG13 VAL A 82 11.395 10.043 -8.709 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.067 6.968 -8.472 1.00 0.00 H new ATOM 0 HG22 VAL A 82 12.487 7.836 -7.841 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.526 6.797 -6.761 1.00 0.00 H new ATOM 927 N ALA A 83 9.340 10.701 -5.072 1.00 0.00 N ATOM 928 CA ALA A 83 8.573 11.896 -4.763 1.00 0.00 C ATOM 929 C ALA A 83 9.398 12.803 -3.848 1.00 0.00 C ATOM 930 O ALA A 83 9.170 14.011 -3.795 1.00 0.00 O ATOM 931 CB ALA A 83 7.235 11.497 -4.138 1.00 0.00 C ATOM 0 H ALA A 83 8.954 9.837 -4.693 1.00 0.00 H new ATOM 0 HA ALA A 83 8.353 12.457 -5.671 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.660 12.393 -3.906 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.676 10.878 -4.840 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.415 10.934 -3.222 1.00 0.00 H new ATOM 937 N GLY A 84 10.339 12.186 -3.149 1.00 0.00 N ATOM 938 CA GLY A 84 11.199 12.923 -2.238 1.00 0.00 C ATOM 939 C GLY A 84 10.999 12.454 -0.795 1.00 0.00 C ATOM 940 O GLY A 84 11.408 13.134 0.145 1.00 0.00 O ATOM 0 H GLY A 84 10.525 11.184 -3.195 1.00 0.00 H new ATOM 0 HA2 GLY A 84 12.241 12.788 -2.527 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.983 13.989 -2.311 1.00 0.00 H new ATOM 944 N ALA A 85 10.370 11.295 -0.665 1.00 0.00 N ATOM 945 CA ALA A 85 10.111 10.727 0.647 1.00 0.00 C ATOM 946 C ALA A 85 11.399 10.109 1.194 1.00 0.00 C ATOM 947 O ALA A 85 12.285 9.733 0.428 1.00 0.00 O ATOM 948 CB ALA A 85 8.973 9.709 0.547 1.00 0.00 C ATOM 0 H ALA A 85 10.032 10.734 -1.447 1.00 0.00 H new ATOM 0 HA ALA A 85 9.795 11.502 1.345 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.779 9.283 1.531 1.00 0.00 H new ATOM 0 HB2 ALA A 85 8.073 10.204 0.182 1.00 0.00 H new ATOM 0 HB3 ALA A 85 9.256 8.914 -0.143 1.00 0.00 H new ATOM 954 N GLU A 86 11.463 10.024 2.515 1.00 0.00 N ATOM 955 CA GLU A 86 12.628 9.458 3.173 1.00 0.00 C ATOM 956 C GLU A 86 12.808 7.994 2.768 1.00 0.00 C ATOM 957 O GLU A 86 11.829 7.274 2.579 1.00 0.00 O ATOM 958 CB GLU A 86 12.520 9.598 4.693 1.00 0.00 C ATOM 959 CG GLU A 86 13.764 10.278 5.270 1.00 0.00 C ATOM 960 CD GLU A 86 13.901 11.708 4.744 1.00 0.00 C ATOM 961 OE1 GLU A 86 14.838 11.931 3.947 1.00 0.00 O ATOM 962 OE2 GLU A 86 13.066 12.544 5.150 1.00 0.00 O ATOM 0 H GLU A 86 10.727 10.338 3.147 1.00 0.00 H new ATOM 0 HA GLU A 86 13.509 10.014 2.851 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.633 10.179 4.946 1.00 0.00 H new ATOM 0 HB3 GLU A 86 12.396 8.614 5.145 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.704 10.291 6.358 1.00 0.00 H new ATOM 0 HG3 GLU A 86 14.652 9.703 5.007 1.00 0.00 H new ATOM 969 N ASP A 87 14.066 7.597 2.647 1.00 0.00 N ATOM 970 CA ASP A 87 14.387 6.231 2.269 1.00 0.00 C ATOM 971 C ASP A 87 15.249 5.593 3.359 1.00 0.00 C ATOM 972 O ASP A 87 16.368 6.038 3.611 1.00 0.00 O ATOM 973 CB ASP A 87 15.177 6.194 0.959 1.00 0.00 C ATOM 974 CG ASP A 87 14.754 5.098 -0.021 1.00 0.00 C ATOM 975 OD1 ASP A 87 13.975 4.220 0.411 1.00 0.00 O ATOM 976 OD2 ASP A 87 15.218 5.162 -1.179 1.00 0.00 O ATOM 0 H ASP A 87 14.875 8.197 2.804 1.00 0.00 H new ATOM 0 HA ASP A 87 13.451 5.688 2.142 1.00 0.00 H new ATOM 0 HB2 ASP A 87 15.077 7.160 0.465 1.00 0.00 H new ATOM 0 HB3 ASP A 87 16.234 6.063 1.193 1.00 0.00 H new ATOM 981 N GLN A 88 14.696 4.560 3.978 1.00 0.00 N ATOM 982 CA GLN A 88 15.400 3.856 5.036 1.00 0.00 C ATOM 983 C GLN A 88 15.510 2.368 4.702 1.00 0.00 C ATOM 984 O GLN A 88 16.232 1.629 5.369 1.00 0.00 O ATOM 985 CB GLN A 88 14.712 4.066 6.387 1.00 0.00 C ATOM 986 CG GLN A 88 14.298 5.527 6.571 1.00 0.00 C ATOM 987 CD GLN A 88 15.491 6.464 6.373 1.00 0.00 C ATOM 988 OE1 GLN A 88 16.617 6.161 6.732 1.00 0.00 O ATOM 989 NE2 GLN A 88 15.183 7.616 5.784 1.00 0.00 N ATOM 0 H GLN A 88 13.768 4.194 3.767 1.00 0.00 H new ATOM 0 HA GLN A 88 16.407 4.266 5.111 1.00 0.00 H new ATOM 0 HB2 GLN A 88 13.834 3.424 6.455 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.386 3.771 7.192 1.00 0.00 H new ATOM 0 HG2 GLN A 88 13.512 5.778 5.859 1.00 0.00 H new ATOM 0 HG3 GLN A 88 13.882 5.668 7.569 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.220 7.806 5.508 1.00 0.00 H new ATOM 0 HE22 GLN A 88 15.910 8.309 5.608 1.00 0.00 H new ATOM 998 N ARG A 89 14.782 1.971 3.668 1.00 0.00 N ATOM 999 CA ARG A 89 14.789 0.583 3.236 1.00 0.00 C ATOM 1000 C ARG A 89 16.107 0.252 2.534 1.00 0.00 C ATOM 1001 O ARG A 89 16.559 -0.892 2.561 1.00 0.00 O ATOM 1002 CB ARG A 89 13.626 0.297 2.284 1.00 0.00 C ATOM 1003 CG ARG A 89 12.492 -0.432 3.008 1.00 0.00 C ATOM 1004 CD ARG A 89 12.667 -1.949 2.913 1.00 0.00 C ATOM 1005 NE ARG A 89 12.717 -2.365 1.494 1.00 0.00 N ATOM 1006 CZ ARG A 89 13.241 -3.523 1.068 1.00 0.00 C ATOM 1007 NH1 ARG A 89 13.763 -4.386 1.950 1.00 0.00 N ATOM 1008 NH2 ARG A 89 13.243 -3.817 -0.239 1.00 0.00 N ATOM 0 H ARG A 89 14.183 2.586 3.117 1.00 0.00 H new ATOM 0 HA ARG A 89 14.680 -0.041 4.123 1.00 0.00 H new ATOM 0 HB2 ARG A 89 13.254 1.233 1.867 1.00 0.00 H new ATOM 0 HB3 ARG A 89 13.976 -0.308 1.447 1.00 0.00 H new ATOM 0 HG2 ARG A 89 12.471 -0.130 4.055 1.00 0.00 H new ATOM 0 HG3 ARG A 89 11.534 -0.145 2.574 1.00 0.00 H new ATOM 0 HD2 ARG A 89 13.583 -2.250 3.421 1.00 0.00 H new ATOM 0 HD3 ARG A 89 11.842 -2.451 3.419 1.00 0.00 H new ATOM 0 HE ARG A 89 12.328 -1.731 0.796 1.00 0.00 H new ATOM 0 HH11 ARG A 89 13.762 -4.162 2.945 1.00 0.00 H new ATOM 0 HH12 ARG A 89 14.162 -5.267 1.626 1.00 0.00 H new ATOM 0 HH21 ARG A 89 12.846 -3.160 -0.910 1.00 0.00 H new ATOM 0 HH22 ARG A 89 13.642 -4.698 -0.563 1.00 0.00 H new ATOM 1022 N ARG A 90 16.688 1.274 1.923 1.00 0.00 N ATOM 1023 CA ARG A 90 17.946 1.106 1.215 1.00 0.00 C ATOM 1024 C ARG A 90 17.842 -0.048 0.215 1.00 0.00 C ATOM 1025 O ARG A 90 16.748 -0.538 -0.061 1.00 0.00 O ATOM 1026 CB ARG A 90 19.093 0.826 2.188 1.00 0.00 C ATOM 1027 CG ARG A 90 20.216 1.851 2.021 1.00 0.00 C ATOM 1028 CD ARG A 90 20.205 2.867 3.166 1.00 0.00 C ATOM 1029 NE ARG A 90 20.974 2.342 4.316 1.00 0.00 N ATOM 1030 CZ ARG A 90 22.305 2.189 4.323 1.00 0.00 C ATOM 1031 NH1 ARG A 90 23.023 2.519 3.241 1.00 0.00 N ATOM 1032 NH2 ARG A 90 22.918 1.705 5.411 1.00 0.00 N ATOM 0 H ARG A 90 16.311 2.222 1.904 1.00 0.00 H new ATOM 0 HA ARG A 90 18.154 2.035 0.684 1.00 0.00 H new ATOM 0 HB2 ARG A 90 18.721 0.853 3.212 1.00 0.00 H new ATOM 0 HB3 ARG A 90 19.483 -0.177 2.017 1.00 0.00 H new ATOM 0 HG2 ARG A 90 21.178 1.340 1.992 1.00 0.00 H new ATOM 0 HG3 ARG A 90 20.102 2.369 1.069 1.00 0.00 H new ATOM 0 HD2 ARG A 90 20.636 3.810 2.830 1.00 0.00 H new ATOM 0 HD3 ARG A 90 19.179 3.075 3.469 1.00 0.00 H new ATOM 0 HE ARG A 90 20.458 2.080 5.156 1.00 0.00 H new ATOM 0 HH11 ARG A 90 22.556 2.887 2.412 1.00 0.00 H new ATOM 0 HH12 ARG A 90 24.036 2.403 3.246 1.00 0.00 H new ATOM 0 HH21 ARG A 90 22.372 1.453 6.234 1.00 0.00 H new ATOM 0 HH22 ARG A 90 23.931 1.589 5.416 1.00 0.00 H new ATOM 1046 N HIS A 91 18.995 -0.447 -0.302 1.00 0.00 N ATOM 1047 CA HIS A 91 19.047 -1.534 -1.265 1.00 0.00 C ATOM 1048 C HIS A 91 17.904 -1.383 -2.271 1.00 0.00 C ATOM 1049 O HIS A 91 17.250 -2.363 -2.624 1.00 0.00 O ATOM 1050 CB HIS A 91 19.038 -2.889 -0.556 1.00 0.00 C ATOM 1051 CG HIS A 91 20.387 -3.315 -0.028 1.00 0.00 C ATOM 1052 ND1 HIS A 91 20.987 -4.512 -0.379 1.00 0.00 N ATOM 1053 CD2 HIS A 91 21.247 -2.690 0.828 1.00 0.00 C ATOM 1054 CE1 HIS A 91 22.153 -4.594 0.244 1.00 0.00 C ATOM 1055 NE2 HIS A 91 22.312 -3.465 0.992 1.00 0.00 N ATOM 0 H HIS A 91 19.900 -0.037 -0.072 1.00 0.00 H new ATOM 0 HA HIS A 91 19.983 -1.487 -1.821 1.00 0.00 H new ATOM 0 HB2 HIS A 91 18.331 -2.849 0.273 1.00 0.00 H new ATOM 0 HB3 HIS A 91 18.674 -3.648 -1.249 1.00 0.00 H new ATOM 0 HD2 HIS A 91 21.088 -1.728 1.293 1.00 0.00 H new ATOM 0 HE1 HIS A 91 22.855 -5.412 0.172 1.00 0.00 H new ATOM 0 HE2 HIS A 91 23.117 -3.251 1.581 1.00 0.00 H new ATOM 1063 N LEU A 92 17.698 -0.148 -2.704 1.00 0.00 N ATOM 1064 CA LEU A 92 16.646 0.144 -3.662 1.00 0.00 C ATOM 1065 C LEU A 92 17.133 -0.203 -5.070 1.00 0.00 C ATOM 1066 O LEU A 92 18.228 0.193 -5.466 1.00 0.00 O ATOM 1067 CB LEU A 92 16.172 1.591 -3.514 1.00 0.00 C ATOM 1068 CG LEU A 92 14.660 1.793 -3.398 1.00 0.00 C ATOM 1069 CD1 LEU A 92 13.960 1.463 -4.718 1.00 0.00 C ATOM 1070 CD2 LEU A 92 14.087 0.990 -2.229 1.00 0.00 C ATOM 0 H LEU A 92 18.242 0.662 -2.409 1.00 0.00 H new ATOM 0 HA LEU A 92 15.770 -0.475 -3.466 1.00 0.00 H new ATOM 0 HB2 LEU A 92 16.645 2.019 -2.630 1.00 0.00 H new ATOM 0 HB3 LEU A 92 16.530 2.159 -4.373 1.00 0.00 H new ATOM 0 HG LEU A 92 14.471 2.846 -3.188 1.00 0.00 H new ATOM 0 HD11 LEU A 92 12.886 1.615 -4.608 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.340 2.115 -5.504 1.00 0.00 H new ATOM 0 HD13 LEU A 92 14.154 0.424 -4.983 1.00 0.00 H new ATOM 0 HD21 LEU A 92 13.011 1.152 -2.169 1.00 0.00 H new ATOM 0 HD22 LEU A 92 14.287 -0.070 -2.383 1.00 0.00 H new ATOM 0 HD23 LEU A 92 14.555 1.316 -1.300 1.00 0.00 H new ATOM 1082 N MET A 93 16.297 -0.938 -5.787 1.00 0.00 N ATOM 1083 CA MET A 93 16.629 -1.342 -7.143 1.00 0.00 C ATOM 1084 C MET A 93 17.915 -2.171 -7.168 1.00 0.00 C ATOM 1085 O MET A 93 18.805 -1.968 -6.344 1.00 0.00 O ATOM 1086 CB MET A 93 16.805 -0.100 -8.018 1.00 0.00 C ATOM 1087 CG MET A 93 15.456 0.398 -8.541 1.00 0.00 C ATOM 1088 SD MET A 93 15.254 -0.071 -10.251 1.00 0.00 S ATOM 1089 CE MET A 93 13.922 1.022 -10.717 1.00 0.00 C ATOM 0 H MET A 93 15.390 -1.265 -5.455 1.00 0.00 H new ATOM 0 HA MET A 93 15.815 -1.956 -7.529 1.00 0.00 H new ATOM 0 HB2 MET A 93 17.290 0.689 -7.443 1.00 0.00 H new ATOM 0 HB3 MET A 93 17.461 -0.332 -8.857 1.00 0.00 H new ATOM 0 HG2 MET A 93 14.647 -0.021 -7.942 1.00 0.00 H new ATOM 0 HG3 MET A 93 15.396 1.482 -8.443 1.00 0.00 H new ATOM 0 HE1 MET A 93 13.668 0.860 -11.764 1.00 0.00 H new ATOM 0 HE2 MET A 93 13.050 0.818 -10.096 1.00 0.00 H new ATOM 0 HE3 MET A 93 14.234 2.057 -10.576 1.00 0.00 H new ATOM 1099 N ALA A 94 17.972 -3.088 -8.123 1.00 0.00 N ATOM 1100 CA ALA A 94 19.134 -3.948 -8.267 1.00 0.00 C ATOM 1101 C ALA A 94 20.166 -3.259 -9.162 1.00 0.00 C ATOM 1102 O ALA A 94 19.863 -2.255 -9.805 1.00 0.00 O ATOM 1103 CB ALA A 94 18.698 -5.307 -8.819 1.00 0.00 C ATOM 0 H ALA A 94 17.232 -3.254 -8.805 1.00 0.00 H new ATOM 0 HA ALA A 94 19.603 -4.124 -7.299 1.00 0.00 H new ATOM 0 HB1 ALA A 94 19.570 -5.952 -8.927 1.00 0.00 H new ATOM 0 HB2 ALA A 94 17.988 -5.768 -8.132 1.00 0.00 H new ATOM 0 HB3 ALA A 94 18.225 -5.170 -9.791 1.00 0.00 H new ATOM 1109 N ASP A 95 21.363 -3.826 -9.175 1.00 0.00 N ATOM 1110 CA ASP A 95 22.441 -3.278 -9.980 1.00 0.00 C ATOM 1111 C ASP A 95 23.293 -4.424 -10.531 1.00 0.00 C ATOM 1112 O ASP A 95 23.532 -4.501 -11.735 1.00 0.00 O ATOM 1113 CB ASP A 95 23.349 -2.374 -9.144 1.00 0.00 C ATOM 1114 CG ASP A 95 24.519 -1.749 -9.907 1.00 0.00 C ATOM 1115 OD1 ASP A 95 25.544 -1.474 -9.247 1.00 0.00 O ATOM 1116 OD2 ASP A 95 24.362 -1.561 -11.133 1.00 0.00 O ATOM 0 H ASP A 95 21.610 -4.659 -8.641 1.00 0.00 H new ATOM 0 HA ASP A 95 21.996 -2.695 -10.787 1.00 0.00 H new ATOM 0 HB2 ASP A 95 22.745 -1.574 -8.716 1.00 0.00 H new ATOM 0 HB3 ASP A 95 23.746 -2.954 -8.311 1.00 0.00 H new ATOM 1121 N ASP A 96 23.728 -5.285 -9.623 1.00 0.00 N ATOM 1122 CA ASP A 96 24.548 -6.423 -10.002 1.00 0.00 C ATOM 1123 C ASP A 96 23.672 -7.675 -10.078 1.00 0.00 C ATOM 1124 O ASP A 96 23.222 -8.185 -9.053 1.00 0.00 O ATOM 1125 CB ASP A 96 25.648 -6.677 -8.971 1.00 0.00 C ATOM 1126 CG ASP A 96 26.981 -7.156 -9.551 1.00 0.00 C ATOM 1127 OD1 ASP A 96 27.715 -6.290 -10.074 1.00 0.00 O ATOM 1128 OD2 ASP A 96 27.235 -8.376 -9.458 1.00 0.00 O ATOM 0 H ASP A 96 23.528 -5.217 -8.625 1.00 0.00 H new ATOM 0 HA ASP A 96 25.003 -6.204 -10.968 1.00 0.00 H new ATOM 0 HB2 ASP A 96 25.822 -5.757 -8.413 1.00 0.00 H new ATOM 0 HB3 ASP A 96 25.292 -7.420 -8.257 1.00 0.00 H new TER 1133 ASP A 96