USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 800 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 19 GLN : amide:sc= 0.167 K(o=1,f=-1.2) USER MOD Set 1.2: A 33 THR OG1 : rot -122:sc= 0.95 USER MOD Set 1.3: A 59 ASN : amide:sc= -0.086 K(o=1,f=-2.8) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 108:sc= 0.136 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.00947 USER MOD Single : A 13 ASN : amide:sc=-0.00683 X(o=-0.0068,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 163:sc= 0.4 (180deg=0.276) USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= 0.18 X(o=0.18,f=0) USER MOD Single : A 26 TYR OH : rot 108:sc= -0.697 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -0.0496 USER MOD Single : A 37 SER OG : rot -99:sc= 0.612 USER MOD Single : A 38 GLN : amide:sc= 0.0444 X(o=0.044,f=-0.0035) USER MOD Single : A 45 LYS NZ :NH3+ 138:sc= 1.06 (180deg=0.37) USER MOD Single : A 46 SER OG : rot 73:sc= 0.832 USER MOD Single : A 47 MET CE :methyl 174:sc= -1.46! (180deg=-1.85!) USER MOD Single : A 48 LYS NZ :NH3+ -138:sc= 1.24 (180deg=0.0271) USER MOD Single : A 50 ASN : amide:sc= -0.52 K(o=-0.52,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 170:sc= 0.879 (180deg=0.809) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 67 ASN : amide:sc= -0.0744 K(o=-0.074,f=-0.86) USER MOD Single : A 70 GLN : amide:sc= -1.85! K(o=-1.9!,f=-0.68) USER MOD Single : A 71 ASN : amide:sc= 0.774 K(o=0.77,f=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 163:sc= 0.548 (180deg=0.395) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0523) USER MOD Single : A 85 SER OG : rot 140:sc= 0.451 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 77:sc= 0.782 USER MOD Single : A 93 GLN : amide:sc= -1.11 K(o=-1.1,f=-3.7!) USER MOD Single : A 100 LYS NZ :NH3+ -168:sc=-0.00551 (180deg=-0.152) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N LYS A 3 1.842 10.960 1.030 1.00 3.13 N ATOM 28 CA LYS A 3 1.352 10.001 2.040 1.00 64.00 C ATOM 29 C LYS A 3 0.810 8.741 1.336 1.00 72.35 C ATOM 30 O LYS A 3 0.268 8.824 0.224 1.00 22.44 O ATOM 31 CB LYS A 3 0.265 10.647 2.948 1.00 33.25 C ATOM 32 CG LYS A 3 -0.166 9.754 4.139 1.00 60.22 C ATOM 33 CD LYS A 3 -1.249 10.399 5.035 1.00 35.23 C ATOM 34 CE LYS A 3 -1.686 9.467 6.182 1.00 2.44 C ATOM 35 NZ LYS A 3 -2.671 10.113 7.090 1.00 45.12 N ATOM 0 HA LYS A 3 2.183 9.715 2.685 1.00 64.00 H new ATOM 0 HB2 LYS A 3 0.643 11.594 3.334 1.00 33.25 H new ATOM 0 HB3 LYS A 3 -0.612 10.877 2.342 1.00 33.25 H new ATOM 0 HG2 LYS A 3 -0.542 8.806 3.754 1.00 60.22 H new ATOM 0 HG3 LYS A 3 0.709 9.527 4.748 1.00 60.22 H new ATOM 0 HD2 LYS A 3 -0.866 11.330 5.452 1.00 35.23 H new ATOM 0 HD3 LYS A 3 -2.116 10.655 4.427 1.00 35.23 H new ATOM 0 HE2 LYS A 3 -2.121 8.559 5.764 1.00 2.44 H new ATOM 0 HE3 LYS A 3 -0.810 9.165 6.756 1.00 2.44 H new ATOM 0 HZ1 LYS A 3 -2.935 9.448 7.845 1.00 45.12 H new ATOM 0 HZ2 LYS A 3 -2.248 10.965 7.511 1.00 45.12 H new ATOM 0 HZ3 LYS A 3 -3.519 10.378 6.550 1.00 45.12 H new ATOM 49 N VAL A 4 0.966 7.577 1.991 1.00 3.52 N ATOM 50 CA VAL A 4 0.582 6.269 1.422 1.00 53.52 C ATOM 51 C VAL A 4 -0.179 5.410 2.454 1.00 12.35 C ATOM 52 O VAL A 4 0.055 5.517 3.661 1.00 23.02 O ATOM 53 CB VAL A 4 1.854 5.507 0.898 1.00 0.43 C ATOM 54 CG1 VAL A 4 2.867 5.239 2.026 1.00 2.24 C ATOM 55 CG2 VAL A 4 1.485 4.207 0.160 1.00 70.31 C ATOM 0 H VAL A 4 1.361 7.514 2.929 1.00 3.52 H new ATOM 0 HA VAL A 4 -0.089 6.450 0.582 1.00 53.52 H new ATOM 0 HB VAL A 4 2.335 6.165 0.175 1.00 0.43 H new ATOM 0 HG11 VAL A 4 3.731 4.711 1.622 1.00 2.24 H new ATOM 0 HG12 VAL A 4 3.190 6.186 2.457 1.00 2.24 H new ATOM 0 HG13 VAL A 4 2.398 4.630 2.799 1.00 2.24 H new ATOM 0 HG21 VAL A 4 2.394 3.714 -0.185 1.00 70.31 H new ATOM 0 HG22 VAL A 4 0.947 3.544 0.838 1.00 70.31 H new ATOM 0 HG23 VAL A 4 0.853 4.442 -0.696 1.00 70.31 H new ATOM 65 N LEU A 5 -1.122 4.594 1.951 1.00 52.42 N ATOM 66 CA LEU A 5 -1.843 3.589 2.744 1.00 74.42 C ATOM 67 C LEU A 5 -1.229 2.207 2.462 1.00 13.44 C ATOM 68 O LEU A 5 -1.389 1.657 1.366 1.00 23.11 O ATOM 69 CB LEU A 5 -3.354 3.592 2.392 1.00 11.23 C ATOM 70 CG LEU A 5 -4.254 2.613 3.221 1.00 42.13 C ATOM 71 CD1 LEU A 5 -4.245 2.969 4.723 1.00 40.44 C ATOM 72 CD2 LEU A 5 -5.693 2.559 2.660 1.00 10.42 C ATOM 0 H LEU A 5 -1.406 4.616 0.972 1.00 52.42 H new ATOM 0 HA LEU A 5 -1.749 3.826 3.804 1.00 74.42 H new ATOM 0 HB2 LEU A 5 -3.736 4.604 2.524 1.00 11.23 H new ATOM 0 HB3 LEU A 5 -3.461 3.346 1.336 1.00 11.23 H new ATOM 0 HG LEU A 5 -3.827 1.615 3.122 1.00 42.13 H new ATOM 0 HD11 LEU A 5 -4.880 2.269 5.267 1.00 40.44 H new ATOM 0 HD12 LEU A 5 -3.226 2.907 5.105 1.00 40.44 H new ATOM 0 HD13 LEU A 5 -4.623 3.982 4.859 1.00 40.44 H new ATOM 0 HD21 LEU A 5 -6.291 1.871 3.258 1.00 10.42 H new ATOM 0 HD22 LEU A 5 -6.137 3.554 2.700 1.00 10.42 H new ATOM 0 HD23 LEU A 5 -5.668 2.214 1.626 1.00 10.42 H new ATOM 84 N LEU A 6 -0.496 1.685 3.440 1.00 72.02 N ATOM 85 CA LEU A 6 0.160 0.377 3.364 1.00 52.23 C ATOM 86 C LEU A 6 -0.851 -0.718 3.777 1.00 2.33 C ATOM 87 O LEU A 6 -1.022 -1.004 4.966 1.00 31.15 O ATOM 88 CB LEU A 6 1.415 0.388 4.292 1.00 61.42 C ATOM 89 CG LEU A 6 2.345 -0.867 4.248 1.00 64.32 C ATOM 90 CD1 LEU A 6 2.980 -1.049 2.859 1.00 11.20 C ATOM 91 CD2 LEU A 6 3.423 -0.801 5.361 1.00 74.53 C ATOM 0 H LEU A 6 -0.336 2.165 4.326 1.00 72.02 H new ATOM 0 HA LEU A 6 0.491 0.164 2.348 1.00 52.23 H new ATOM 0 HB2 LEU A 6 2.015 1.262 4.039 1.00 61.42 H new ATOM 0 HB3 LEU A 6 1.075 0.521 5.319 1.00 61.42 H new ATOM 0 HG LEU A 6 1.727 -1.744 4.438 1.00 64.32 H new ATOM 0 HD11 LEU A 6 3.620 -1.931 2.864 1.00 11.20 H new ATOM 0 HD12 LEU A 6 2.195 -1.175 2.114 1.00 11.20 H new ATOM 0 HD13 LEU A 6 3.575 -0.170 2.613 1.00 11.20 H new ATOM 0 HD21 LEU A 6 4.056 -1.687 5.307 1.00 74.53 H new ATOM 0 HD22 LEU A 6 4.034 0.091 5.223 1.00 74.53 H new ATOM 0 HD23 LEU A 6 2.937 -0.761 6.336 1.00 74.53 H new ATOM 103 N VAL A 7 -1.547 -1.277 2.775 1.00 22.01 N ATOM 104 CA VAL A 7 -2.508 -2.380 2.951 1.00 51.13 C ATOM 105 C VAL A 7 -1.739 -3.707 3.082 1.00 2.44 C ATOM 106 O VAL A 7 -1.058 -4.136 2.143 1.00 44.44 O ATOM 107 CB VAL A 7 -3.524 -2.453 1.739 1.00 61.24 C ATOM 108 CG1 VAL A 7 -4.444 -3.699 1.819 1.00 34.22 C ATOM 109 CG2 VAL A 7 -4.357 -1.152 1.647 1.00 12.35 C ATOM 0 H VAL A 7 -1.458 -0.972 1.806 1.00 22.01 H new ATOM 0 HA VAL A 7 -3.086 -2.199 3.857 1.00 51.13 H new ATOM 0 HB VAL A 7 -2.935 -2.553 0.827 1.00 61.24 H new ATOM 0 HG11 VAL A 7 -5.123 -3.705 0.966 1.00 34.22 H new ATOM 0 HG12 VAL A 7 -3.835 -4.603 1.804 1.00 34.22 H new ATOM 0 HG13 VAL A 7 -5.022 -3.666 2.743 1.00 34.22 H new ATOM 0 HG21 VAL A 7 -5.049 -1.222 0.808 1.00 12.35 H new ATOM 0 HG22 VAL A 7 -4.919 -1.014 2.571 1.00 12.35 H new ATOM 0 HG23 VAL A 7 -3.690 -0.303 1.498 1.00 12.35 H new ATOM 119 N ILE A 8 -1.853 -4.331 4.266 1.00 40.22 N ATOM 120 CA ILE A 8 -1.133 -5.553 4.632 1.00 23.45 C ATOM 121 C ILE A 8 -2.133 -6.676 4.946 1.00 42.21 C ATOM 122 O ILE A 8 -3.057 -6.497 5.761 1.00 70.53 O ATOM 123 CB ILE A 8 -0.173 -5.332 5.873 1.00 32.40 C ATOM 124 CG1 ILE A 8 0.819 -4.155 5.590 1.00 34.04 C ATOM 125 CG2 ILE A 8 0.588 -6.644 6.234 1.00 45.04 C ATOM 126 CD1 ILE A 8 1.906 -3.952 6.624 1.00 54.42 C ATOM 0 H ILE A 8 -2.463 -3.989 5.009 1.00 40.22 H new ATOM 0 HA ILE A 8 -0.513 -5.833 3.780 1.00 23.45 H new ATOM 0 HB ILE A 8 -0.781 -5.062 6.736 1.00 32.40 H new ATOM 0 HG12 ILE A 8 1.291 -4.326 4.622 1.00 34.04 H new ATOM 0 HG13 ILE A 8 0.245 -3.232 5.506 1.00 34.04 H new ATOM 0 HG21 ILE A 8 1.239 -6.463 7.089 1.00 45.04 H new ATOM 0 HG22 ILE A 8 -0.131 -7.424 6.484 1.00 45.04 H new ATOM 0 HG23 ILE A 8 1.188 -6.963 5.382 1.00 45.04 H new ATOM 0 HD11 ILE A 8 2.536 -3.112 6.330 1.00 54.42 H new ATOM 0 HD12 ILE A 8 1.452 -3.743 7.593 1.00 54.42 H new ATOM 0 HD13 ILE A 8 2.514 -4.854 6.695 1.00 54.42 H new ATOM 138 N SER A 9 -1.937 -7.812 4.271 1.00 23.11 N ATOM 139 CA SER A 9 -2.655 -9.059 4.532 1.00 50.23 C ATOM 140 C SER A 9 -1.817 -10.221 3.966 1.00 3.43 C ATOM 141 O SER A 9 -0.913 -10.012 3.145 1.00 61.13 O ATOM 142 CB SER A 9 -4.067 -9.033 3.893 1.00 4.51 C ATOM 143 OG SER A 9 -4.815 -10.201 4.200 1.00 11.31 O ATOM 0 H SER A 9 -1.260 -7.890 3.512 1.00 23.11 H new ATOM 0 HA SER A 9 -2.794 -9.188 5.605 1.00 50.23 H new ATOM 0 HB2 SER A 9 -4.607 -8.154 4.245 1.00 4.51 H new ATOM 0 HB3 SER A 9 -3.973 -8.937 2.811 1.00 4.51 H new ATOM 0 HG SER A 9 -5.528 -9.976 4.833 1.00 11.31 H new ATOM 149 N THR A 10 -2.094 -11.429 4.445 1.00 34.51 N ATOM 150 CA THR A 10 -1.536 -12.671 3.894 1.00 63.42 C ATOM 151 C THR A 10 -2.521 -13.262 2.860 1.00 65.22 C ATOM 152 O THR A 10 -2.131 -14.059 1.996 1.00 42.22 O ATOM 153 CB THR A 10 -1.243 -13.687 5.045 1.00 50.42 C ATOM 154 OG1 THR A 10 -0.451 -13.039 6.061 1.00 73.33 O ATOM 155 CG2 THR A 10 -0.492 -14.948 4.553 1.00 2.04 C ATOM 0 H THR A 10 -2.719 -11.581 5.236 1.00 34.51 H new ATOM 0 HA THR A 10 -0.593 -12.459 3.391 1.00 63.42 H new ATOM 0 HB THR A 10 -2.205 -14.011 5.442 1.00 50.42 H new ATOM 0 HG1 THR A 10 -0.267 -13.673 6.786 1.00 73.33 H new ATOM 0 HG21 THR A 10 -0.315 -15.618 5.395 1.00 2.04 H new ATOM 0 HG22 THR A 10 -1.094 -15.460 3.802 1.00 2.04 H new ATOM 0 HG23 THR A 10 0.463 -14.655 4.116 1.00 2.04 H new ATOM 163 N ASP A 11 -3.807 -12.848 2.960 1.00 63.42 N ATOM 164 CA ASP A 11 -4.863 -13.231 2.008 1.00 51.41 C ATOM 165 C ASP A 11 -4.630 -12.511 0.674 1.00 72.54 C ATOM 166 O ASP A 11 -5.229 -11.467 0.404 1.00 11.45 O ATOM 167 CB ASP A 11 -6.271 -12.886 2.561 1.00 63.31 C ATOM 168 CG ASP A 11 -6.585 -13.571 3.891 1.00 30.33 C ATOM 169 OD1 ASP A 11 -6.922 -14.770 3.885 1.00 20.23 O ATOM 170 OD2 ASP A 11 -6.487 -12.916 4.945 1.00 42.42 O ATOM 0 H ASP A 11 -4.136 -12.237 3.708 1.00 63.42 H new ATOM 0 HA ASP A 11 -4.819 -14.310 1.857 1.00 51.41 H new ATOM 0 HB2 ASP A 11 -6.348 -11.806 2.690 1.00 63.31 H new ATOM 0 HB3 ASP A 11 -7.023 -13.174 1.826 1.00 63.31 H new ATOM 175 N THR A 12 -3.724 -13.074 -0.130 1.00 63.53 N ATOM 176 CA THR A 12 -3.328 -12.531 -1.436 1.00 45.21 C ATOM 177 C THR A 12 -4.508 -12.527 -2.438 1.00 45.52 C ATOM 178 O THR A 12 -4.502 -11.765 -3.406 1.00 42.45 O ATOM 179 CB THR A 12 -2.107 -13.342 -1.991 1.00 44.23 C ATOM 180 OG1 THR A 12 -2.365 -14.751 -1.877 1.00 32.10 O ATOM 181 CG2 THR A 12 -0.803 -13.017 -1.237 1.00 20.45 C ATOM 0 H THR A 12 -3.235 -13.936 0.111 1.00 63.53 H new ATOM 0 HA THR A 12 -3.031 -11.491 -1.304 1.00 45.21 H new ATOM 0 HB THR A 12 -1.980 -13.057 -3.035 1.00 44.23 H new ATOM 0 HG1 THR A 12 -1.600 -15.253 -2.227 1.00 32.10 H new ATOM 0 HG21 THR A 12 0.015 -13.602 -1.656 1.00 20.45 H new ATOM 0 HG22 THR A 12 -0.579 -11.955 -1.339 1.00 20.45 H new ATOM 0 HG23 THR A 12 -0.922 -13.263 -0.182 1.00 20.45 H new ATOM 189 N ASN A 13 -5.518 -13.380 -2.162 1.00 22.22 N ATOM 190 CA ASN A 13 -6.804 -13.402 -2.884 1.00 24.45 C ATOM 191 C ASN A 13 -7.600 -12.103 -2.608 1.00 24.45 C ATOM 192 O ASN A 13 -8.019 -11.419 -3.541 1.00 22.23 O ATOM 193 CB ASN A 13 -7.635 -14.641 -2.447 1.00 22.10 C ATOM 194 CG ASN A 13 -8.948 -14.811 -3.229 1.00 2.15 C ATOM 195 OD1 ASN A 13 -8.987 -15.473 -4.274 1.00 1.00 O ATOM 196 ND2 ASN A 13 -10.029 -14.211 -2.743 1.00 33.50 N ATOM 0 H ASN A 13 -5.460 -14.080 -1.422 1.00 22.22 H new ATOM 0 HA ASN A 13 -6.605 -13.466 -3.954 1.00 24.45 H new ATOM 0 HB2 ASN A 13 -7.028 -15.538 -2.574 1.00 22.10 H new ATOM 0 HB3 ASN A 13 -7.863 -14.558 -1.384 1.00 22.10 H new ATOM 0 HD21 ASN A 13 -10.920 -14.290 -3.233 1.00 33.50 H new ATOM 0 HD22 ASN A 13 -9.968 -13.672 -1.879 1.00 33.50 H new ATOM 203 N ILE A 14 -7.782 -11.782 -1.300 1.00 30.32 N ATOM 204 CA ILE A 14 -8.549 -10.595 -0.843 1.00 75.32 C ATOM 205 C ILE A 14 -7.845 -9.291 -1.282 1.00 71.15 C ATOM 206 O ILE A 14 -8.500 -8.349 -1.739 1.00 62.31 O ATOM 207 CB ILE A 14 -8.748 -10.619 0.728 1.00 42.24 C ATOM 208 CG1 ILE A 14 -9.594 -11.860 1.176 1.00 71.11 C ATOM 209 CG2 ILE A 14 -9.371 -9.306 1.269 1.00 70.51 C ATOM 210 CD1 ILE A 14 -11.035 -11.890 0.674 1.00 21.34 C ATOM 0 H ILE A 14 -7.401 -12.339 -0.535 1.00 30.32 H new ATOM 0 HA ILE A 14 -9.534 -10.629 -1.309 1.00 75.32 H new ATOM 0 HB ILE A 14 -7.753 -10.704 1.164 1.00 42.24 H new ATOM 0 HG12 ILE A 14 -9.090 -12.764 0.834 1.00 71.11 H new ATOM 0 HG13 ILE A 14 -9.607 -11.895 2.265 1.00 71.11 H new ATOM 0 HG21 ILE A 14 -9.485 -9.376 2.351 1.00 70.51 H new ATOM 0 HG22 ILE A 14 -8.719 -8.467 1.027 1.00 70.51 H new ATOM 0 HG23 ILE A 14 -10.347 -9.151 0.810 1.00 70.51 H new ATOM 0 HD11 ILE A 14 -11.530 -12.789 1.041 1.00 21.34 H new ATOM 0 HD12 ILE A 14 -11.565 -11.010 1.038 1.00 21.34 H new ATOM 0 HD13 ILE A 14 -11.041 -11.892 -0.416 1.00 21.34 H new ATOM 222 N ILE A 15 -6.501 -9.279 -1.155 1.00 13.53 N ATOM 223 CA ILE A 15 -5.643 -8.157 -1.583 1.00 51.05 C ATOM 224 C ILE A 15 -5.846 -7.859 -3.079 1.00 42.41 C ATOM 225 O ILE A 15 -6.211 -6.744 -3.439 1.00 13.42 O ATOM 226 CB ILE A 15 -4.122 -8.471 -1.319 1.00 12.04 C ATOM 227 CG1 ILE A 15 -3.838 -8.612 0.200 1.00 15.33 C ATOM 228 CG2 ILE A 15 -3.193 -7.408 -1.949 1.00 44.21 C ATOM 229 CD1 ILE A 15 -2.440 -9.093 0.518 1.00 2.13 C ATOM 0 H ILE A 15 -5.978 -10.055 -0.749 1.00 13.53 H new ATOM 0 HA ILE A 15 -5.930 -7.284 -0.997 1.00 51.05 H new ATOM 0 HB ILE A 15 -3.905 -9.424 -1.802 1.00 12.04 H new ATOM 0 HG12 ILE A 15 -3.998 -7.647 0.681 1.00 15.33 H new ATOM 0 HG13 ILE A 15 -4.558 -9.307 0.632 1.00 15.33 H new ATOM 0 HG21 ILE A 15 -2.154 -7.664 -1.742 1.00 44.21 H new ATOM 0 HG22 ILE A 15 -3.352 -7.379 -3.027 1.00 44.21 H new ATOM 0 HG23 ILE A 15 -3.417 -6.430 -1.523 1.00 44.21 H new ATOM 0 HD11 ILE A 15 -2.317 -9.166 1.599 1.00 2.13 H new ATOM 0 HD12 ILE A 15 -2.281 -10.073 0.067 1.00 2.13 H new ATOM 0 HD13 ILE A 15 -1.712 -8.387 0.118 1.00 2.13 H new ATOM 241 N SER A 16 -5.630 -8.897 -3.919 1.00 41.31 N ATOM 242 CA SER A 16 -5.697 -8.784 -5.386 1.00 31.11 C ATOM 243 C SER A 16 -7.117 -8.415 -5.860 1.00 22.01 C ATOM 244 O SER A 16 -7.272 -7.698 -6.851 1.00 22.41 O ATOM 245 CB SER A 16 -5.218 -10.106 -6.033 1.00 43.04 C ATOM 246 OG SER A 16 -5.235 -10.032 -7.445 1.00 24.34 O ATOM 0 H SER A 16 -5.404 -9.837 -3.593 1.00 41.31 H new ATOM 0 HA SER A 16 -5.036 -7.977 -5.702 1.00 31.11 H new ATOM 0 HB2 SER A 16 -4.208 -10.333 -5.692 1.00 43.04 H new ATOM 0 HB3 SER A 16 -5.857 -10.925 -5.704 1.00 43.04 H new ATOM 0 HG SER A 16 -4.925 -10.882 -7.821 1.00 24.34 H new ATOM 252 N SER A 17 -8.140 -8.892 -5.119 1.00 40.31 N ATOM 253 CA SER A 17 -9.547 -8.571 -5.395 1.00 20.13 C ATOM 254 C SER A 17 -9.788 -7.057 -5.235 1.00 23.52 C ATOM 255 O SER A 17 -10.128 -6.371 -6.203 1.00 45.30 O ATOM 256 CB SER A 17 -10.477 -9.375 -4.456 1.00 13.31 C ATOM 257 OG SER A 17 -11.850 -9.104 -4.714 1.00 62.50 O ATOM 0 H SER A 17 -8.009 -9.508 -4.317 1.00 40.31 H new ATOM 0 HA SER A 17 -9.776 -8.850 -6.423 1.00 20.13 H new ATOM 0 HB2 SER A 17 -10.287 -10.441 -4.582 1.00 13.31 H new ATOM 0 HB3 SER A 17 -10.247 -9.130 -3.419 1.00 13.31 H new ATOM 0 HG SER A 17 -12.408 -9.630 -4.104 1.00 62.50 H new ATOM 263 N VAL A 18 -9.531 -6.556 -4.011 1.00 41.24 N ATOM 264 CA VAL A 18 -9.720 -5.143 -3.632 1.00 2.32 C ATOM 265 C VAL A 18 -8.849 -4.206 -4.493 1.00 71.05 C ATOM 266 O VAL A 18 -9.290 -3.120 -4.882 1.00 74.40 O ATOM 267 CB VAL A 18 -9.376 -4.944 -2.109 1.00 31.02 C ATOM 268 CG1 VAL A 18 -9.356 -3.452 -1.711 1.00 34.02 C ATOM 269 CG2 VAL A 18 -10.357 -5.747 -1.222 1.00 20.44 C ATOM 0 H VAL A 18 -9.180 -7.132 -3.246 1.00 41.24 H new ATOM 0 HA VAL A 18 -10.765 -4.886 -3.807 1.00 2.32 H new ATOM 0 HB VAL A 18 -8.369 -5.329 -1.945 1.00 31.02 H new ATOM 0 HG11 VAL A 18 -9.115 -3.361 -0.652 1.00 34.02 H new ATOM 0 HG12 VAL A 18 -8.604 -2.928 -2.301 1.00 34.02 H new ATOM 0 HG13 VAL A 18 -10.335 -3.012 -1.899 1.00 34.02 H new ATOM 0 HG21 VAL A 18 -10.104 -5.598 -0.172 1.00 20.44 H new ATOM 0 HG22 VAL A 18 -11.375 -5.403 -1.402 1.00 20.44 H new ATOM 0 HG23 VAL A 18 -10.283 -6.807 -1.466 1.00 20.44 H new ATOM 279 N GLN A 19 -7.629 -4.671 -4.791 1.00 21.22 N ATOM 280 CA GLN A 19 -6.628 -3.934 -5.577 1.00 54.51 C ATOM 281 C GLN A 19 -7.167 -3.604 -6.966 1.00 62.43 C ATOM 282 O GLN A 19 -7.137 -2.447 -7.387 1.00 44.10 O ATOM 283 CB GLN A 19 -5.335 -4.781 -5.673 1.00 15.24 C ATOM 284 CG GLN A 19 -4.195 -4.173 -6.501 1.00 2.34 C ATOM 285 CD GLN A 19 -2.940 -5.051 -6.546 1.00 15.41 C ATOM 286 OE1 GLN A 19 -2.244 -5.091 -7.557 1.00 10.03 O ATOM 287 NE2 GLN A 19 -2.606 -5.731 -5.444 1.00 41.31 N ATOM 0 H GLN A 19 -7.303 -5.588 -4.487 1.00 21.22 H new ATOM 0 HA GLN A 19 -6.402 -2.990 -5.080 1.00 54.51 H new ATOM 0 HB2 GLN A 19 -4.967 -4.963 -4.663 1.00 15.24 H new ATOM 0 HB3 GLN A 19 -5.590 -5.751 -6.099 1.00 15.24 H new ATOM 0 HG2 GLN A 19 -4.546 -4.002 -7.519 1.00 2.34 H new ATOM 0 HG3 GLN A 19 -3.934 -3.200 -6.086 1.00 2.34 H new ATOM 0 HE21 GLN A 19 -3.199 -5.683 -4.616 1.00 41.31 H new ATOM 0 HE22 GLN A 19 -1.758 -6.298 -5.432 1.00 41.31 H new ATOM 296 N GLU A 20 -7.699 -4.630 -7.641 1.00 64.04 N ATOM 297 CA GLU A 20 -8.231 -4.491 -8.996 1.00 4.10 C ATOM 298 C GLU A 20 -9.565 -3.718 -9.003 1.00 10.23 C ATOM 299 O GLU A 20 -9.867 -3.044 -9.979 1.00 1.14 O ATOM 300 CB GLU A 20 -8.368 -5.882 -9.667 1.00 31.30 C ATOM 301 CG GLU A 20 -7.023 -6.622 -9.868 1.00 55.52 C ATOM 302 CD GLU A 20 -5.964 -5.768 -10.596 1.00 71.31 C ATOM 303 OE1 GLU A 20 -6.133 -5.502 -11.805 1.00 61.22 O ATOM 304 OE2 GLU A 20 -4.979 -5.330 -9.956 1.00 61.15 O ATOM 0 H GLU A 20 -7.771 -5.575 -7.263 1.00 64.04 H new ATOM 0 HA GLU A 20 -7.525 -3.903 -9.582 1.00 4.10 H new ATOM 0 HB2 GLU A 20 -9.025 -6.504 -9.059 1.00 31.30 H new ATOM 0 HB3 GLU A 20 -8.852 -5.760 -10.636 1.00 31.30 H new ATOM 0 HG2 GLU A 20 -6.632 -6.923 -8.896 1.00 55.52 H new ATOM 0 HG3 GLU A 20 -7.199 -7.535 -10.438 1.00 55.52 H new ATOM 311 N ARG A 21 -10.337 -3.802 -7.901 1.00 52.45 N ATOM 312 CA ARG A 21 -11.592 -3.027 -7.728 1.00 23.02 C ATOM 313 C ARG A 21 -11.281 -1.531 -7.504 1.00 51.43 C ATOM 314 O ARG A 21 -12.049 -0.656 -7.917 1.00 54.54 O ATOM 315 CB ARG A 21 -12.425 -3.591 -6.537 1.00 33.20 C ATOM 316 CG ARG A 21 -12.932 -5.039 -6.749 1.00 44.31 C ATOM 317 CD ARG A 21 -13.685 -5.606 -5.531 1.00 65.13 C ATOM 318 NE ARG A 21 -14.057 -7.024 -5.712 1.00 34.34 N ATOM 319 CZ ARG A 21 -14.967 -7.691 -4.973 1.00 52.23 C ATOM 320 NH1 ARG A 21 -15.629 -7.082 -3.987 1.00 42.31 N ATOM 321 NH2 ARG A 21 -15.207 -8.971 -5.222 1.00 40.21 N ATOM 0 H ARG A 21 -10.114 -4.404 -7.108 1.00 52.45 H new ATOM 0 HA ARG A 21 -12.181 -3.125 -8.640 1.00 23.02 H new ATOM 0 HB2 ARG A 21 -11.815 -3.560 -5.634 1.00 33.20 H new ATOM 0 HB3 ARG A 21 -13.282 -2.939 -6.366 1.00 33.20 H new ATOM 0 HG2 ARG A 21 -13.590 -5.062 -7.617 1.00 44.31 H new ATOM 0 HG3 ARG A 21 -12.083 -5.684 -6.975 1.00 44.31 H new ATOM 0 HD2 ARG A 21 -13.061 -5.507 -4.643 1.00 65.13 H new ATOM 0 HD3 ARG A 21 -14.585 -5.016 -5.356 1.00 65.13 H new ATOM 0 HE ARG A 21 -13.588 -7.540 -6.456 1.00 34.34 H new ATOM 0 HH11 ARG A 21 -15.450 -6.099 -3.784 1.00 42.31 H new ATOM 0 HH12 ARG A 21 -16.314 -7.600 -3.437 1.00 42.31 H new ATOM 0 HH21 ARG A 21 -14.704 -9.448 -5.970 1.00 40.21 H new ATOM 0 HH22 ARG A 21 -15.894 -9.479 -4.665 1.00 40.21 H new ATOM 335 N ALA A 22 -10.134 -1.267 -6.856 1.00 52.14 N ATOM 336 CA ALA A 22 -9.647 0.090 -6.572 1.00 41.43 C ATOM 337 C ALA A 22 -9.063 0.733 -7.841 1.00 24.30 C ATOM 338 O ALA A 22 -9.213 1.931 -8.056 1.00 3.43 O ATOM 339 CB ALA A 22 -8.596 0.038 -5.452 1.00 35.40 C ATOM 0 H ALA A 22 -9.513 -1.999 -6.512 1.00 52.14 H new ATOM 0 HA ALA A 22 -10.483 0.706 -6.241 1.00 41.43 H new ATOM 0 HB1 ALA A 22 -8.236 1.046 -5.243 1.00 35.40 H new ATOM 0 HB2 ALA A 22 -9.045 -0.381 -4.551 1.00 35.40 H new ATOM 0 HB3 ALA A 22 -7.760 -0.588 -5.766 1.00 35.40 H new ATOM 345 N LYS A 23 -8.388 -0.091 -8.665 1.00 22.40 N ATOM 346 CA LYS A 23 -7.809 0.328 -9.962 1.00 12.55 C ATOM 347 C LYS A 23 -8.904 0.465 -11.037 1.00 44.42 C ATOM 348 O LYS A 23 -8.757 1.233 -11.993 1.00 45.14 O ATOM 349 CB LYS A 23 -6.738 -0.702 -10.421 1.00 74.41 C ATOM 350 CG LYS A 23 -5.475 -0.755 -9.527 1.00 45.02 C ATOM 351 CD LYS A 23 -4.575 -1.979 -9.822 1.00 11.42 C ATOM 352 CE LYS A 23 -4.124 -2.081 -11.293 1.00 4.54 C ATOM 353 NZ LYS A 23 -3.302 -3.301 -11.531 1.00 2.54 N ATOM 0 H LYS A 23 -8.226 -1.075 -8.450 1.00 22.40 H new ATOM 0 HA LYS A 23 -7.339 1.302 -9.829 1.00 12.55 H new ATOM 0 HB2 LYS A 23 -7.192 -1.693 -10.446 1.00 74.41 H new ATOM 0 HB3 LYS A 23 -6.436 -0.464 -11.441 1.00 74.41 H new ATOM 0 HG2 LYS A 23 -4.896 0.157 -9.671 1.00 45.02 H new ATOM 0 HG3 LYS A 23 -5.778 -0.778 -8.480 1.00 45.02 H new ATOM 0 HD2 LYS A 23 -3.693 -1.931 -9.184 1.00 11.42 H new ATOM 0 HD3 LYS A 23 -5.114 -2.888 -9.553 1.00 11.42 H new ATOM 0 HE2 LYS A 23 -4.999 -2.099 -11.942 1.00 4.54 H new ATOM 0 HE3 LYS A 23 -3.547 -1.195 -11.560 1.00 4.54 H new ATOM 0 HZ1 LYS A 23 -3.258 -3.496 -12.552 1.00 2.54 H new ATOM 0 HZ2 LYS A 23 -2.340 -3.148 -11.166 1.00 2.54 H new ATOM 0 HZ3 LYS A 23 -3.734 -4.111 -11.042 1.00 2.54 H new ATOM 367 N HIS A 24 -9.988 -0.319 -10.874 1.00 72.21 N ATOM 368 CA HIS A 24 -11.159 -0.278 -11.769 1.00 60.45 C ATOM 369 C HIS A 24 -11.928 1.026 -11.545 1.00 60.02 C ATOM 370 O HIS A 24 -12.164 1.791 -12.486 1.00 55.20 O ATOM 371 CB HIS A 24 -12.073 -1.506 -11.508 1.00 24.35 C ATOM 372 CG HIS A 24 -13.294 -1.598 -12.387 1.00 15.43 C ATOM 373 ND1 HIS A 24 -13.249 -2.058 -13.688 1.00 10.52 N ATOM 374 CD2 HIS A 24 -14.600 -1.323 -12.138 1.00 55.14 C ATOM 375 CE1 HIS A 24 -14.467 -2.060 -14.196 1.00 15.43 C ATOM 376 NE2 HIS A 24 -15.301 -1.619 -13.276 1.00 74.20 N ATOM 0 H HIS A 24 -10.075 -0.998 -10.118 1.00 72.21 H new ATOM 0 HA HIS A 24 -10.825 -0.316 -12.806 1.00 60.45 H new ATOM 0 HB2 HIS A 24 -11.482 -2.412 -11.639 1.00 24.35 H new ATOM 0 HB3 HIS A 24 -12.396 -1.483 -10.467 1.00 24.35 H new ATOM 0 HD2 HIS A 24 -15.010 -0.942 -11.214 1.00 55.14 H new ATOM 0 HE1 HIS A 24 -14.735 -2.370 -15.195 1.00 15.43 H new ATOM 0 HE2 HIS A 24 -16.309 -1.515 -13.393 1.00 74.20 H new ATOM 385 N ASN A 25 -12.275 1.273 -10.270 1.00 53.01 N ATOM 386 CA ASN A 25 -13.070 2.443 -9.850 1.00 71.03 C ATOM 387 C ASN A 25 -12.239 3.742 -9.934 1.00 65.21 C ATOM 388 O ASN A 25 -12.781 4.818 -10.208 1.00 62.41 O ATOM 389 CB ASN A 25 -13.616 2.224 -8.415 1.00 32.41 C ATOM 390 CG ASN A 25 -14.528 3.362 -7.942 1.00 64.44 C ATOM 391 OD1 ASN A 25 -15.732 3.358 -8.195 1.00 2.10 O ATOM 392 ND2 ASN A 25 -13.963 4.347 -7.276 1.00 24.04 N ATOM 0 H ASN A 25 -12.011 0.663 -9.496 1.00 53.01 H new ATOM 0 HA ASN A 25 -13.913 2.551 -10.532 1.00 71.03 H new ATOM 0 HB2 ASN A 25 -14.169 1.285 -8.382 1.00 32.41 H new ATOM 0 HB3 ASN A 25 -12.778 2.126 -7.724 1.00 32.41 H new ATOM 0 HD21 ASN A 25 -14.526 5.135 -6.955 1.00 24.04 H new ATOM 0 HD22 ASN A 25 -12.962 4.323 -7.081 1.00 24.04 H new ATOM 399 N TYR A 26 -10.921 3.627 -9.693 1.00 32.24 N ATOM 400 CA TYR A 26 -9.966 4.747 -9.839 1.00 73.12 C ATOM 401 C TYR A 26 -8.920 4.397 -10.926 1.00 44.14 C ATOM 402 O TYR A 26 -7.818 3.929 -10.602 1.00 63.41 O ATOM 403 CB TYR A 26 -9.276 5.082 -8.476 1.00 2.05 C ATOM 404 CG TYR A 26 -10.255 5.458 -7.348 1.00 13.11 C ATOM 405 CD1 TYR A 26 -10.984 6.652 -7.403 1.00 50.10 C ATOM 406 CD2 TYR A 26 -10.462 4.623 -6.237 1.00 25.11 C ATOM 407 CE1 TYR A 26 -11.878 6.992 -6.404 1.00 43.41 C ATOM 408 CE2 TYR A 26 -11.353 4.970 -5.236 1.00 30.35 C ATOM 409 CZ TYR A 26 -12.058 6.151 -5.330 1.00 21.34 C ATOM 410 OH TYR A 26 -12.965 6.492 -4.351 1.00 34.42 O ATOM 0 H TYR A 26 -10.485 2.756 -9.391 1.00 32.24 H new ATOM 0 HA TYR A 26 -10.512 5.638 -10.150 1.00 73.12 H new ATOM 0 HB2 TYR A 26 -8.687 4.221 -8.159 1.00 2.05 H new ATOM 0 HB3 TYR A 26 -8.580 5.907 -8.627 1.00 2.05 H new ATOM 0 HD1 TYR A 26 -10.846 7.320 -8.241 1.00 50.10 H new ATOM 0 HD2 TYR A 26 -9.916 3.694 -6.163 1.00 25.11 H new ATOM 0 HE1 TYR A 26 -12.434 7.916 -6.467 1.00 43.41 H new ATOM 0 HE2 TYR A 26 -11.495 4.319 -4.386 1.00 30.35 H new ATOM 0 HH TYR A 26 -13.751 5.910 -4.416 1.00 34.42 H new ATOM 420 N PRO A 27 -9.271 4.567 -12.247 1.00 61.11 N ATOM 421 CA PRO A 27 -8.311 4.354 -13.362 1.00 61.25 C ATOM 422 C PRO A 27 -7.314 5.525 -13.480 1.00 44.32 C ATOM 423 O PRO A 27 -6.220 5.370 -14.036 1.00 23.14 O ATOM 424 CB PRO A 27 -9.236 4.254 -14.598 1.00 63.00 C ATOM 425 CG PRO A 27 -10.409 5.126 -14.258 1.00 51.42 C ATOM 426 CD PRO A 27 -10.622 4.957 -12.765 1.00 22.14 C ATOM 0 HA PRO A 27 -7.683 3.473 -13.230 1.00 61.25 H new ATOM 0 HB2 PRO A 27 -8.732 4.600 -15.500 1.00 63.00 H new ATOM 0 HB3 PRO A 27 -9.546 3.225 -14.780 1.00 63.00 H new ATOM 0 HG2 PRO A 27 -10.210 6.167 -14.510 1.00 51.42 H new ATOM 0 HG3 PRO A 27 -11.295 4.827 -14.817 1.00 51.42 H new ATOM 0 HD2 PRO A 27 -10.974 5.880 -12.305 1.00 22.14 H new ATOM 0 HD3 PRO A 27 -11.367 4.191 -12.553 1.00 22.14 H new ATOM 434 N GLY A 28 -7.709 6.691 -12.927 1.00 51.44 N ATOM 435 CA GLY A 28 -6.891 7.897 -12.928 1.00 40.42 C ATOM 436 C GLY A 28 -6.145 8.090 -11.616 1.00 70.42 C ATOM 437 O GLY A 28 -5.993 9.221 -11.136 1.00 2.23 O ATOM 0 H GLY A 28 -8.612 6.811 -12.467 1.00 51.44 H new ATOM 0 HA2 GLY A 28 -6.174 7.846 -13.747 1.00 40.42 H new ATOM 0 HA3 GLY A 28 -7.526 8.764 -13.113 1.00 40.42 H new ATOM 441 N ARG A 29 -5.686 6.976 -11.027 1.00 53.32 N ATOM 442 CA ARG A 29 -4.900 6.987 -9.786 1.00 55.13 C ATOM 443 C ARG A 29 -3.775 5.956 -9.901 1.00 32.21 C ATOM 444 O ARG A 29 -4.010 4.828 -10.345 1.00 63.44 O ATOM 445 CB ARG A 29 -5.789 6.660 -8.551 1.00 0.21 C ATOM 446 CG ARG A 29 -5.058 6.770 -7.191 1.00 53.43 C ATOM 447 CD ARG A 29 -4.677 8.218 -6.825 1.00 75.41 C ATOM 448 NE ARG A 29 -5.870 9.067 -6.628 1.00 44.35 N ATOM 449 CZ ARG A 29 -6.018 10.335 -7.057 1.00 20.34 C ATOM 450 NH1 ARG A 29 -5.050 10.959 -7.729 1.00 53.12 N ATOM 451 NH2 ARG A 29 -7.156 10.973 -6.821 1.00 43.51 N ATOM 0 H ARG A 29 -5.850 6.041 -11.399 1.00 53.32 H new ATOM 0 HA ARG A 29 -4.485 7.985 -9.644 1.00 55.13 H new ATOM 0 HB2 ARG A 29 -6.645 7.335 -8.546 1.00 0.21 H new ATOM 0 HB3 ARG A 29 -6.181 5.649 -8.658 1.00 0.21 H new ATOM 0 HG2 ARG A 29 -5.696 6.359 -6.408 1.00 53.43 H new ATOM 0 HG3 ARG A 29 -4.156 6.159 -7.220 1.00 53.43 H new ATOM 0 HD2 ARG A 29 -4.078 8.217 -5.915 1.00 75.41 H new ATOM 0 HD3 ARG A 29 -4.056 8.641 -7.615 1.00 75.41 H new ATOM 0 HE ARG A 29 -6.653 8.655 -6.121 1.00 44.35 H new ATOM 0 HH11 ARG A 29 -4.174 10.476 -7.928 1.00 53.12 H new ATOM 0 HH12 ARG A 29 -5.185 11.920 -8.044 1.00 53.12 H new ATOM 0 HH21 ARG A 29 -7.909 10.503 -6.319 1.00 43.51 H new ATOM 0 HH22 ARG A 29 -7.278 11.934 -7.142 1.00 43.51 H new ATOM 465 N GLU A 30 -2.554 6.368 -9.528 1.00 54.34 N ATOM 466 CA GLU A 30 -1.417 5.458 -9.368 1.00 61.25 C ATOM 467 C GLU A 30 -1.635 4.624 -8.090 1.00 51.50 C ATOM 468 O GLU A 30 -1.861 5.183 -7.011 1.00 4.55 O ATOM 469 CB GLU A 30 -0.071 6.250 -9.289 1.00 32.13 C ATOM 470 CG GLU A 30 0.413 6.886 -10.615 1.00 13.13 C ATOM 471 CD GLU A 30 -0.470 8.039 -11.118 1.00 22.14 C ATOM 472 OE1 GLU A 30 -0.300 9.184 -10.639 1.00 23.21 O ATOM 473 OE2 GLU A 30 -1.335 7.816 -11.995 1.00 63.25 O ATOM 0 H GLU A 30 -2.330 7.343 -9.329 1.00 54.34 H new ATOM 0 HA GLU A 30 -1.353 4.799 -10.234 1.00 61.25 H new ATOM 0 HB2 GLU A 30 -0.179 7.041 -8.547 1.00 32.13 H new ATOM 0 HB3 GLU A 30 0.705 5.576 -8.926 1.00 32.13 H new ATOM 0 HG2 GLU A 30 1.430 7.254 -10.479 1.00 13.13 H new ATOM 0 HG3 GLU A 30 0.454 6.113 -11.382 1.00 13.13 H new ATOM 480 N ILE A 31 -1.637 3.294 -8.237 1.00 43.41 N ATOM 481 CA ILE A 31 -1.761 2.345 -7.114 1.00 2.34 C ATOM 482 C ILE A 31 -0.609 1.332 -7.215 1.00 11.33 C ATOM 483 O ILE A 31 -0.350 0.792 -8.294 1.00 4.45 O ATOM 484 CB ILE A 31 -3.162 1.611 -7.120 1.00 12.15 C ATOM 485 CG1 ILE A 31 -4.323 2.652 -6.945 1.00 21.01 C ATOM 486 CG2 ILE A 31 -3.223 0.510 -6.031 1.00 2.52 C ATOM 487 CD1 ILE A 31 -5.727 2.075 -6.950 1.00 0.35 C ATOM 0 H ILE A 31 -1.552 2.838 -9.145 1.00 43.41 H new ATOM 0 HA ILE A 31 -1.702 2.889 -6.172 1.00 2.34 H new ATOM 0 HB ILE A 31 -3.288 1.119 -8.085 1.00 12.15 H new ATOM 0 HG12 ILE A 31 -4.171 3.184 -6.006 1.00 21.01 H new ATOM 0 HG13 ILE A 31 -4.250 3.389 -7.744 1.00 21.01 H new ATOM 0 HG21 ILE A 31 -4.198 0.023 -6.060 1.00 2.52 H new ATOM 0 HG22 ILE A 31 -2.443 -0.229 -6.216 1.00 2.52 H new ATOM 0 HG23 ILE A 31 -3.071 0.960 -5.050 1.00 2.52 H new ATOM 0 HD11 ILE A 31 -6.451 2.879 -6.823 1.00 0.35 H new ATOM 0 HD12 ILE A 31 -5.909 1.569 -7.898 1.00 0.35 H new ATOM 0 HD13 ILE A 31 -5.830 1.361 -6.133 1.00 0.35 H new ATOM 499 N ARG A 32 0.084 1.095 -6.093 1.00 2.31 N ATOM 500 CA ARG A 32 1.284 0.247 -6.047 1.00 35.12 C ATOM 501 C ARG A 32 0.978 -1.126 -5.435 1.00 63.20 C ATOM 502 O ARG A 32 0.075 -1.274 -4.609 1.00 72.34 O ATOM 503 CB ARG A 32 2.414 0.974 -5.254 1.00 23.34 C ATOM 504 CG ARG A 32 3.197 2.026 -6.078 1.00 43.10 C ATOM 505 CD ARG A 32 3.928 1.378 -7.274 1.00 61.51 C ATOM 506 NE ARG A 32 4.813 2.316 -7.988 1.00 2.41 N ATOM 507 CZ ARG A 32 6.131 2.127 -8.193 1.00 43.52 C ATOM 508 NH1 ARG A 32 6.745 1.041 -7.734 1.00 22.40 N ATOM 509 NH2 ARG A 32 6.829 3.001 -8.891 1.00 30.51 N ATOM 0 H ARG A 32 -0.173 1.488 -5.187 1.00 2.31 H new ATOM 0 HA ARG A 32 1.624 0.075 -7.068 1.00 35.12 H new ATOM 0 HB2 ARG A 32 1.974 1.464 -4.385 1.00 23.34 H new ATOM 0 HB3 ARG A 32 3.115 0.229 -4.878 1.00 23.34 H new ATOM 0 HG2 ARG A 32 2.510 2.790 -6.441 1.00 43.10 H new ATOM 0 HG3 ARG A 32 3.921 2.527 -5.436 1.00 43.10 H new ATOM 0 HD2 ARG A 32 4.516 0.532 -6.918 1.00 61.51 H new ATOM 0 HD3 ARG A 32 3.190 0.982 -7.972 1.00 61.51 H new ATOM 0 HE ARG A 32 4.396 3.172 -8.354 1.00 2.41 H new ATOM 0 HH11 ARG A 32 6.218 0.336 -7.218 1.00 22.40 H new ATOM 0 HH12 ARG A 32 7.744 0.912 -7.897 1.00 22.40 H new ATOM 0 HH21 ARG A 32 6.371 3.826 -9.279 1.00 30.51 H new ATOM 0 HH22 ARG A 32 7.827 2.852 -9.043 1.00 30.51 H new ATOM 523 N THR A 33 1.734 -2.123 -5.906 1.00 24.54 N ATOM 524 CA THR A 33 1.758 -3.486 -5.363 1.00 74.50 C ATOM 525 C THR A 33 3.183 -3.764 -4.844 1.00 75.04 C ATOM 526 O THR A 33 4.149 -3.156 -5.330 1.00 72.25 O ATOM 527 CB THR A 33 1.388 -4.521 -6.481 1.00 44.32 C ATOM 528 OG1 THR A 33 0.261 -4.042 -7.217 1.00 2.54 O ATOM 529 CG2 THR A 33 1.060 -5.914 -5.915 1.00 24.11 C ATOM 0 H THR A 33 2.364 -2.001 -6.698 1.00 24.54 H new ATOM 0 HA THR A 33 1.032 -3.582 -4.556 1.00 74.50 H new ATOM 0 HB THR A 33 2.261 -4.624 -7.126 1.00 44.32 H new ATOM 0 HG1 THR A 33 -0.467 -4.696 -7.163 1.00 2.54 H new ATOM 0 HG21 THR A 33 0.811 -6.590 -6.733 1.00 24.11 H new ATOM 0 HG22 THR A 33 1.925 -6.300 -5.375 1.00 24.11 H new ATOM 0 HG23 THR A 33 0.211 -5.840 -5.235 1.00 24.11 H new ATOM 537 N ALA A 34 3.318 -4.676 -3.876 1.00 32.01 N ATOM 538 CA ALA A 34 4.620 -5.068 -3.333 1.00 44.14 C ATOM 539 C ALA A 34 4.662 -6.582 -3.099 1.00 30.45 C ATOM 540 O ALA A 34 3.988 -7.106 -2.207 1.00 73.52 O ATOM 541 CB ALA A 34 4.922 -4.284 -2.054 1.00 42.40 C ATOM 0 H ALA A 34 2.529 -5.161 -3.449 1.00 32.01 H new ATOM 0 HA ALA A 34 5.398 -4.825 -4.056 1.00 44.14 H new ATOM 0 HB1 ALA A 34 5.893 -4.587 -1.662 1.00 42.40 H new ATOM 0 HB2 ALA A 34 4.937 -3.217 -2.276 1.00 42.40 H new ATOM 0 HB3 ALA A 34 4.151 -4.489 -1.311 1.00 42.40 H new ATOM 547 N THR A 35 5.415 -7.267 -3.961 1.00 32.24 N ATOM 548 CA THR A 35 5.693 -8.711 -3.864 1.00 43.35 C ATOM 549 C THR A 35 7.036 -8.928 -3.138 1.00 1.51 C ATOM 550 O THR A 35 7.193 -9.866 -2.344 1.00 51.41 O ATOM 551 CB THR A 35 5.737 -9.334 -5.304 1.00 1.40 C ATOM 552 OG1 THR A 35 4.443 -9.189 -5.923 1.00 65.41 O ATOM 553 CG2 THR A 35 6.141 -10.824 -5.322 1.00 24.45 C ATOM 0 H THR A 35 5.861 -6.828 -4.766 1.00 32.24 H new ATOM 0 HA THR A 35 4.904 -9.202 -3.295 1.00 43.35 H new ATOM 0 HB THR A 35 6.506 -8.793 -5.856 1.00 1.40 H new ATOM 0 HG1 THR A 35 4.466 -9.575 -6.823 1.00 65.41 H new ATOM 0 HG21 THR A 35 6.150 -11.186 -6.350 1.00 24.45 H new ATOM 0 HG22 THR A 35 7.135 -10.937 -4.889 1.00 24.45 H new ATOM 0 HG23 THR A 35 5.424 -11.403 -4.740 1.00 24.45 H new ATOM 561 N SER A 36 7.984 -8.012 -3.392 1.00 53.34 N ATOM 562 CA SER A 36 9.375 -8.133 -2.943 1.00 44.22 C ATOM 563 C SER A 36 9.941 -6.755 -2.535 1.00 23.34 C ATOM 564 O SER A 36 9.251 -5.725 -2.653 1.00 71.30 O ATOM 565 CB SER A 36 10.216 -8.771 -4.084 1.00 35.13 C ATOM 566 OG SER A 36 11.540 -9.072 -3.656 1.00 4.12 O ATOM 0 H SER A 36 7.802 -7.159 -3.920 1.00 53.34 H new ATOM 0 HA SER A 36 9.421 -8.773 -2.062 1.00 44.22 H new ATOM 0 HB2 SER A 36 9.729 -9.683 -4.429 1.00 35.13 H new ATOM 0 HB3 SER A 36 10.254 -8.089 -4.933 1.00 35.13 H new ATOM 0 HG SER A 36 12.040 -9.473 -4.397 1.00 4.12 H new ATOM 572 N SER A 37 11.205 -6.768 -2.051 1.00 2.14 N ATOM 573 CA SER A 37 11.935 -5.577 -1.588 1.00 21.44 C ATOM 574 C SER A 37 12.118 -4.551 -2.716 1.00 33.12 C ATOM 575 O SER A 37 12.041 -3.352 -2.473 1.00 33.15 O ATOM 576 CB SER A 37 13.307 -6.000 -1.019 1.00 24.13 C ATOM 577 OG SER A 37 13.152 -7.010 -0.044 1.00 2.25 O ATOM 0 H SER A 37 11.751 -7.626 -1.972 1.00 2.14 H new ATOM 0 HA SER A 37 11.346 -5.099 -0.805 1.00 21.44 H new ATOM 0 HB2 SER A 37 13.945 -6.361 -1.825 1.00 24.13 H new ATOM 0 HB3 SER A 37 13.806 -5.136 -0.579 1.00 24.13 H new ATOM 0 HG SER A 37 13.193 -6.611 0.850 1.00 2.25 H new ATOM 583 N GLN A 38 12.347 -5.060 -3.949 1.00 61.44 N ATOM 584 CA GLN A 38 12.514 -4.241 -5.172 1.00 41.45 C ATOM 585 C GLN A 38 11.366 -3.216 -5.305 1.00 72.41 C ATOM 586 O GLN A 38 11.609 -2.018 -5.536 1.00 51.02 O ATOM 587 CB GLN A 38 12.574 -5.163 -6.429 1.00 14.51 C ATOM 588 CG GLN A 38 12.759 -4.434 -7.785 1.00 4.32 C ATOM 589 CD GLN A 38 14.064 -3.636 -7.877 1.00 3.12 C ATOM 590 OE1 GLN A 38 15.105 -4.170 -8.267 1.00 21.35 O ATOM 591 NE2 GLN A 38 14.022 -2.352 -7.531 1.00 35.21 N ATOM 0 H GLN A 38 12.422 -6.062 -4.124 1.00 61.44 H new ATOM 0 HA GLN A 38 13.451 -3.690 -5.096 1.00 41.45 H new ATOM 0 HB2 GLN A 38 13.395 -5.869 -6.301 1.00 14.51 H new ATOM 0 HB3 GLN A 38 11.655 -5.747 -6.473 1.00 14.51 H new ATOM 0 HG2 GLN A 38 12.734 -5.169 -8.590 1.00 4.32 H new ATOM 0 HG3 GLN A 38 11.918 -3.759 -7.943 1.00 4.32 H new ATOM 0 HE21 GLN A 38 13.146 -1.938 -7.212 1.00 35.21 H new ATOM 0 HE22 GLN A 38 14.866 -1.781 -7.585 1.00 35.21 H new ATOM 600 N ASP A 39 10.129 -3.716 -5.099 1.00 50.11 N ATOM 601 CA ASP A 39 8.917 -2.889 -5.099 1.00 43.42 C ATOM 602 C ASP A 39 8.998 -1.839 -3.979 1.00 21.30 C ATOM 603 O ASP A 39 9.021 -0.646 -4.262 1.00 32.24 O ATOM 604 CB ASP A 39 7.652 -3.763 -4.904 1.00 41.34 C ATOM 605 CG ASP A 39 7.470 -4.836 -5.989 1.00 12.44 C ATOM 606 OD1 ASP A 39 7.016 -4.496 -7.105 1.00 3.32 O ATOM 607 OD2 ASP A 39 7.767 -6.028 -5.732 1.00 73.35 O ATOM 0 H ASP A 39 9.949 -4.705 -4.929 1.00 50.11 H new ATOM 0 HA ASP A 39 8.846 -2.387 -6.064 1.00 43.42 H new ATOM 0 HB2 ASP A 39 7.703 -4.249 -3.930 1.00 41.34 H new ATOM 0 HB3 ASP A 39 6.774 -3.118 -4.892 1.00 41.34 H new ATOM 612 N ILE A 40 9.124 -2.337 -2.725 1.00 22.34 N ATOM 613 CA ILE A 40 9.149 -1.533 -1.474 1.00 62.40 C ATOM 614 C ILE A 40 10.030 -0.263 -1.598 1.00 71.41 C ATOM 615 O ILE A 40 9.580 0.853 -1.300 1.00 64.24 O ATOM 616 CB ILE A 40 9.669 -2.439 -0.279 1.00 52.33 C ATOM 617 CG1 ILE A 40 8.648 -3.577 0.069 1.00 32.01 C ATOM 618 CG2 ILE A 40 10.039 -1.611 0.975 1.00 25.25 C ATOM 619 CD1 ILE A 40 7.308 -3.109 0.629 1.00 10.52 C ATOM 0 H ILE A 40 9.214 -3.338 -2.549 1.00 22.34 H new ATOM 0 HA ILE A 40 8.131 -1.195 -1.279 1.00 62.40 H new ATOM 0 HB ILE A 40 10.588 -2.911 -0.626 1.00 52.33 H new ATOM 0 HG12 ILE A 40 8.461 -4.162 -0.832 1.00 32.01 H new ATOM 0 HG13 ILE A 40 9.111 -4.247 0.794 1.00 32.01 H new ATOM 0 HG21 ILE A 40 10.389 -2.279 1.762 1.00 25.25 H new ATOM 0 HG22 ILE A 40 10.828 -0.903 0.723 1.00 25.25 H new ATOM 0 HG23 ILE A 40 9.161 -1.067 1.324 1.00 25.25 H new ATOM 0 HD11 ILE A 40 6.678 -3.974 0.835 1.00 10.52 H new ATOM 0 HD12 ILE A 40 7.474 -2.552 1.551 1.00 10.52 H new ATOM 0 HD13 ILE A 40 6.814 -2.466 -0.099 1.00 10.52 H new ATOM 631 N ARG A 41 11.266 -0.459 -2.087 1.00 40.04 N ATOM 632 CA ARG A 41 12.279 0.609 -2.191 1.00 34.24 C ATOM 633 C ARG A 41 11.913 1.580 -3.337 1.00 41.22 C ATOM 634 O ARG A 41 12.009 2.804 -3.180 1.00 72.40 O ATOM 635 CB ARG A 41 13.686 -0.014 -2.435 1.00 52.12 C ATOM 636 CG ARG A 41 14.051 -1.191 -1.494 1.00 33.53 C ATOM 637 CD ARG A 41 14.097 -0.824 -0.001 1.00 61.44 C ATOM 638 NE ARG A 41 15.260 0.021 0.315 1.00 74.02 N ATOM 639 CZ ARG A 41 16.231 -0.289 1.188 1.00 3.24 C ATOM 640 NH1 ARG A 41 16.209 -1.440 1.868 1.00 71.24 N ATOM 641 NH2 ARG A 41 17.229 0.560 1.384 1.00 53.50 N ATOM 0 H ARG A 41 11.593 -1.365 -2.423 1.00 40.04 H new ATOM 0 HA ARG A 41 12.302 1.169 -1.256 1.00 34.24 H new ATOM 0 HB2 ARG A 41 13.739 -0.363 -3.466 1.00 52.12 H new ATOM 0 HB3 ARG A 41 14.438 0.768 -2.324 1.00 52.12 H new ATOM 0 HG2 ARG A 41 13.325 -1.992 -1.636 1.00 33.53 H new ATOM 0 HG3 ARG A 41 15.023 -1.586 -1.788 1.00 33.53 H new ATOM 0 HD2 ARG A 41 13.181 -0.301 0.274 1.00 61.44 H new ATOM 0 HD3 ARG A 41 14.135 -1.735 0.597 1.00 61.44 H new ATOM 0 HE ARG A 41 15.334 0.916 -0.169 1.00 74.02 H new ATOM 0 HH11 ARG A 41 15.445 -2.101 1.728 1.00 71.24 H new ATOM 0 HH12 ARG A 41 16.956 -1.657 2.527 1.00 71.24 H new ATOM 0 HH21 ARG A 41 17.256 1.442 0.873 1.00 53.50 H new ATOM 0 HH22 ARG A 41 17.971 0.331 2.046 1.00 53.50 H new ATOM 655 N ASP A 42 11.461 1.000 -4.479 1.00 1.11 N ATOM 656 CA ASP A 42 11.085 1.758 -5.695 1.00 15.24 C ATOM 657 C ASP A 42 9.837 2.642 -5.460 1.00 34.30 C ATOM 658 O ASP A 42 9.699 3.703 -6.073 1.00 45.21 O ATOM 659 CB ASP A 42 10.828 0.781 -6.879 1.00 22.14 C ATOM 660 CG ASP A 42 10.571 1.508 -8.215 1.00 12.20 C ATOM 661 OD1 ASP A 42 11.536 2.007 -8.822 1.00 3.53 O ATOM 662 OD2 ASP A 42 9.409 1.582 -8.669 1.00 21.10 O ATOM 0 H ASP A 42 11.348 -0.009 -4.580 1.00 1.11 H new ATOM 0 HA ASP A 42 11.918 2.417 -5.941 1.00 15.24 H new ATOM 0 HB2 ASP A 42 11.688 0.120 -6.991 1.00 22.14 H new ATOM 0 HB3 ASP A 42 9.970 0.151 -6.644 1.00 22.14 H new ATOM 667 N ILE A 43 8.944 2.191 -4.560 1.00 62.13 N ATOM 668 CA ILE A 43 7.684 2.891 -4.242 1.00 40.41 C ATOM 669 C ILE A 43 7.967 4.199 -3.477 1.00 22.14 C ATOM 670 O ILE A 43 7.458 5.258 -3.841 1.00 60.51 O ATOM 671 CB ILE A 43 6.723 1.968 -3.396 1.00 34.22 C ATOM 672 CG1 ILE A 43 6.268 0.729 -4.236 1.00 55.42 C ATOM 673 CG2 ILE A 43 5.506 2.762 -2.865 1.00 1.22 C ATOM 674 CD1 ILE A 43 5.547 -0.356 -3.449 1.00 53.30 C ATOM 0 H ILE A 43 9.076 1.329 -4.031 1.00 62.13 H new ATOM 0 HA ILE A 43 7.190 3.134 -5.183 1.00 40.41 H new ATOM 0 HB ILE A 43 7.278 1.605 -2.531 1.00 34.22 H new ATOM 0 HG12 ILE A 43 5.612 1.073 -5.035 1.00 55.42 H new ATOM 0 HG13 ILE A 43 7.145 0.290 -4.711 1.00 55.42 H new ATOM 0 HG21 ILE A 43 4.863 2.099 -2.286 1.00 1.22 H new ATOM 0 HG22 ILE A 43 5.852 3.577 -2.229 1.00 1.22 H new ATOM 0 HG23 ILE A 43 4.944 3.171 -3.705 1.00 1.22 H new ATOM 0 HD11 ILE A 43 5.273 -1.171 -4.119 1.00 53.30 H new ATOM 0 HD12 ILE A 43 6.204 -0.736 -2.667 1.00 53.30 H new ATOM 0 HD13 ILE A 43 4.647 0.060 -2.997 1.00 53.30 H new ATOM 686 N ILE A 44 8.794 4.093 -2.421 1.00 14.34 N ATOM 687 CA ILE A 44 9.189 5.238 -1.572 1.00 34.12 C ATOM 688 C ILE A 44 10.011 6.247 -2.403 1.00 62.44 C ATOM 689 O ILE A 44 9.869 7.468 -2.248 1.00 71.33 O ATOM 690 CB ILE A 44 9.985 4.719 -0.316 1.00 23.15 C ATOM 691 CG1 ILE A 44 9.087 3.716 0.485 1.00 60.03 C ATOM 692 CG2 ILE A 44 10.476 5.882 0.590 1.00 14.33 C ATOM 693 CD1 ILE A 44 9.794 2.988 1.601 1.00 71.03 C ATOM 0 H ILE A 44 9.210 3.209 -2.129 1.00 14.34 H new ATOM 0 HA ILE A 44 8.301 5.756 -1.210 1.00 34.12 H new ATOM 0 HB ILE A 44 10.881 4.205 -0.665 1.00 23.15 H new ATOM 0 HG12 ILE A 44 8.242 4.262 0.904 1.00 60.03 H new ATOM 0 HG13 ILE A 44 8.679 2.981 -0.209 1.00 60.03 H new ATOM 0 HG21 ILE A 44 11.019 5.475 1.443 1.00 14.33 H new ATOM 0 HG22 ILE A 44 11.135 6.535 0.018 1.00 14.33 H new ATOM 0 HG23 ILE A 44 9.618 6.453 0.946 1.00 14.33 H new ATOM 0 HD11 ILE A 44 9.094 2.317 2.098 1.00 71.03 H new ATOM 0 HD12 ILE A 44 10.622 2.410 1.191 1.00 71.03 H new ATOM 0 HD13 ILE A 44 10.177 3.711 2.321 1.00 71.03 H new ATOM 705 N LYS A 45 10.824 5.696 -3.327 1.00 40.40 N ATOM 706 CA LYS A 45 11.537 6.467 -4.363 1.00 50.50 C ATOM 707 C LYS A 45 10.518 7.275 -5.203 1.00 30.21 C ATOM 708 O LYS A 45 10.723 8.461 -5.447 1.00 44.12 O ATOM 709 CB LYS A 45 12.380 5.474 -5.240 1.00 41.22 C ATOM 710 CG LYS A 45 13.342 6.086 -6.308 1.00 30.23 C ATOM 711 CD LYS A 45 12.647 6.605 -7.595 1.00 52.40 C ATOM 712 CE LYS A 45 11.919 5.498 -8.380 1.00 53.52 C ATOM 713 NZ LYS A 45 12.861 4.501 -8.948 1.00 2.25 N ATOM 0 H LYS A 45 11.005 4.693 -3.375 1.00 40.40 H new ATOM 0 HA LYS A 45 12.222 7.184 -3.911 1.00 50.50 H new ATOM 0 HB2 LYS A 45 12.975 4.855 -4.568 1.00 41.22 H new ATOM 0 HB3 LYS A 45 11.686 4.809 -5.755 1.00 41.22 H new ATOM 0 HG2 LYS A 45 13.890 6.910 -5.852 1.00 30.23 H new ATOM 0 HG3 LYS A 45 14.076 5.331 -6.589 1.00 30.23 H new ATOM 0 HD2 LYS A 45 11.931 7.381 -7.326 1.00 52.40 H new ATOM 0 HD3 LYS A 45 13.392 7.069 -8.241 1.00 52.40 H new ATOM 0 HE2 LYS A 45 11.212 4.993 -7.722 1.00 53.52 H new ATOM 0 HE3 LYS A 45 11.339 5.948 -9.186 1.00 53.52 H new ATOM 0 HZ1 LYS A 45 12.473 3.545 -8.820 1.00 2.25 H new ATOM 0 HZ2 LYS A 45 12.994 4.688 -9.962 1.00 2.25 H new ATOM 0 HZ3 LYS A 45 13.777 4.571 -8.460 1.00 2.25 H new ATOM 727 N SER A 46 9.412 6.613 -5.609 1.00 11.44 N ATOM 728 CA SER A 46 8.350 7.226 -6.442 1.00 13.22 C ATOM 729 C SER A 46 7.502 8.254 -5.649 1.00 62.12 C ATOM 730 O SER A 46 6.928 9.174 -6.240 1.00 31.13 O ATOM 731 CB SER A 46 7.445 6.126 -7.042 1.00 30.02 C ATOM 732 OG SER A 46 8.192 5.244 -7.875 1.00 63.51 O ATOM 0 H SER A 46 9.229 5.639 -5.369 1.00 11.44 H new ATOM 0 HA SER A 46 8.840 7.771 -7.249 1.00 13.22 H new ATOM 0 HB2 SER A 46 6.974 5.560 -6.238 1.00 30.02 H new ATOM 0 HB3 SER A 46 6.644 6.586 -7.620 1.00 30.02 H new ATOM 0 HG SER A 46 8.753 4.665 -7.318 1.00 63.51 H new ATOM 738 N MET A 47 7.434 8.084 -4.314 1.00 53.21 N ATOM 739 CA MET A 47 6.724 9.021 -3.416 1.00 20.31 C ATOM 740 C MET A 47 7.508 10.330 -3.270 1.00 12.44 C ATOM 741 O MET A 47 6.917 11.398 -3.078 1.00 74.45 O ATOM 742 CB MET A 47 6.490 8.393 -2.021 1.00 43.31 C ATOM 743 CG MET A 47 5.555 7.179 -2.011 1.00 52.24 C ATOM 744 SD MET A 47 4.946 6.798 -0.364 1.00 74.44 S ATOM 745 CE MET A 47 4.117 8.340 0.032 1.00 44.13 C ATOM 0 H MET A 47 7.867 7.298 -3.828 1.00 53.21 H new ATOM 0 HA MET A 47 5.754 9.235 -3.866 1.00 20.31 H new ATOM 0 HB2 MET A 47 7.453 8.096 -1.606 1.00 43.31 H new ATOM 0 HB3 MET A 47 6.079 9.156 -1.359 1.00 43.31 H new ATOM 0 HG2 MET A 47 4.710 7.369 -2.673 1.00 52.24 H new ATOM 0 HG3 MET A 47 6.084 6.313 -2.409 1.00 52.24 H new ATOM 0 HE1 MET A 47 3.591 8.237 0.981 1.00 44.13 H new ATOM 0 HE2 MET A 47 4.854 9.139 0.111 1.00 44.13 H new ATOM 0 HE3 MET A 47 3.402 8.581 -0.755 1.00 44.13 H new ATOM 755 N LYS A 48 8.845 10.224 -3.313 1.00 23.51 N ATOM 756 CA LYS A 48 9.732 11.397 -3.314 1.00 31.34 C ATOM 757 C LYS A 48 9.818 12.019 -4.722 1.00 44.40 C ATOM 758 O LYS A 48 9.961 13.241 -4.860 1.00 51.40 O ATOM 759 CB LYS A 48 11.145 11.014 -2.832 1.00 73.23 C ATOM 760 CG LYS A 48 11.204 10.356 -1.434 1.00 4.24 C ATOM 761 CD LYS A 48 12.632 10.395 -0.842 1.00 22.54 C ATOM 762 CE LYS A 48 13.083 11.835 -0.524 1.00 40.31 C ATOM 763 NZ LYS A 48 14.485 11.902 -0.024 1.00 44.12 N ATOM 0 H LYS A 48 9.338 9.332 -3.348 1.00 23.51 H new ATOM 0 HA LYS A 48 9.310 12.132 -2.628 1.00 31.34 H new ATOM 0 HB2 LYS A 48 11.587 10.331 -3.557 1.00 73.23 H new ATOM 0 HB3 LYS A 48 11.764 11.911 -2.821 1.00 73.23 H new ATOM 0 HG2 LYS A 48 10.517 10.869 -0.761 1.00 4.24 H new ATOM 0 HG3 LYS A 48 10.868 9.322 -1.504 1.00 4.24 H new ATOM 0 HD2 LYS A 48 12.665 9.795 0.067 1.00 22.54 H new ATOM 0 HD3 LYS A 48 13.330 9.943 -1.547 1.00 22.54 H new ATOM 0 HE2 LYS A 48 12.992 12.446 -1.422 1.00 40.31 H new ATOM 0 HE3 LYS A 48 12.415 12.264 0.222 1.00 40.31 H new ATOM 0 HZ1 LYS A 48 14.539 12.573 0.769 1.00 44.12 H new ATOM 0 HZ2 LYS A 48 14.784 10.960 0.299 1.00 44.12 H new ATOM 0 HZ3 LYS A 48 15.112 12.220 -0.790 1.00 44.12 H new ATOM 777 N ASP A 49 9.755 11.147 -5.751 1.00 62.14 N ATOM 778 CA ASP A 49 9.774 11.534 -7.182 1.00 14.24 C ATOM 779 C ASP A 49 8.611 12.492 -7.485 1.00 5.10 C ATOM 780 O ASP A 49 8.780 13.505 -8.174 1.00 23.24 O ATOM 781 CB ASP A 49 9.707 10.251 -8.063 1.00 0.24 C ATOM 782 CG ASP A 49 9.532 10.514 -9.570 1.00 10.43 C ATOM 783 OD1 ASP A 49 10.537 10.773 -10.262 1.00 54.34 O ATOM 784 OD2 ASP A 49 8.387 10.438 -10.077 1.00 24.02 O ATOM 0 H ASP A 49 9.688 10.139 -5.611 1.00 62.14 H new ATOM 0 HA ASP A 49 10.700 12.060 -7.413 1.00 14.24 H new ATOM 0 HB2 ASP A 49 10.620 9.675 -7.912 1.00 0.24 H new ATOM 0 HB3 ASP A 49 8.879 9.632 -7.717 1.00 0.24 H new ATOM 789 N ASN A 50 7.438 12.155 -6.936 1.00 55.34 N ATOM 790 CA ASN A 50 6.268 13.038 -6.927 1.00 22.24 C ATOM 791 C ASN A 50 5.450 12.756 -5.657 1.00 51.40 C ATOM 792 O ASN A 50 4.971 11.626 -5.470 1.00 42.53 O ATOM 793 CB ASN A 50 5.380 12.827 -8.181 1.00 60.43 C ATOM 794 CG ASN A 50 4.298 13.906 -8.328 1.00 73.12 C ATOM 795 OD1 ASN A 50 4.467 14.879 -9.063 1.00 1.01 O ATOM 796 ND2 ASN A 50 3.198 13.771 -7.593 1.00 4.52 N ATOM 0 H ASN A 50 7.274 11.256 -6.483 1.00 55.34 H new ATOM 0 HA ASN A 50 6.612 14.072 -6.940 1.00 22.24 H new ATOM 0 HB2 ASN A 50 6.009 12.826 -9.071 1.00 60.43 H new ATOM 0 HB3 ASN A 50 4.905 11.847 -8.125 1.00 60.43 H new ATOM 0 HD21 ASN A 50 2.469 14.484 -7.630 1.00 4.52 H new ATOM 0 HD22 ASN A 50 3.083 12.955 -6.992 1.00 4.52 H new ATOM 803 N GLY A 51 5.297 13.785 -4.805 1.00 73.15 N ATOM 804 CA GLY A 51 4.460 13.701 -3.614 1.00 24.42 C ATOM 805 C GLY A 51 2.981 13.590 -3.970 1.00 12.50 C ATOM 806 O GLY A 51 2.390 14.551 -4.472 1.00 53.21 O ATOM 0 H GLY A 51 5.751 14.690 -4.929 1.00 73.15 H new ATOM 0 HA2 GLY A 51 4.757 12.836 -3.021 1.00 24.42 H new ATOM 0 HA3 GLY A 51 4.620 14.583 -2.994 1.00 24.42 H new ATOM 810 N LYS A 52 2.394 12.404 -3.742 1.00 44.31 N ATOM 811 CA LYS A 52 0.993 12.105 -4.112 1.00 11.43 C ATOM 812 C LYS A 52 0.381 11.062 -3.134 1.00 33.51 C ATOM 813 O LYS A 52 1.130 10.367 -2.430 1.00 24.21 O ATOM 814 CB LYS A 52 0.956 11.571 -5.576 1.00 2.24 C ATOM 815 CG LYS A 52 1.725 10.246 -5.795 1.00 54.41 C ATOM 816 CD LYS A 52 1.626 9.716 -7.246 1.00 61.01 C ATOM 817 CE LYS A 52 2.343 10.608 -8.264 1.00 34.32 C ATOM 818 NZ LYS A 52 2.291 10.039 -9.636 1.00 75.32 N ATOM 0 H LYS A 52 2.874 11.622 -3.296 1.00 44.31 H new ATOM 0 HA LYS A 52 0.398 13.016 -4.044 1.00 11.43 H new ATOM 0 HB2 LYS A 52 -0.083 11.426 -5.870 1.00 2.24 H new ATOM 0 HB3 LYS A 52 1.372 12.331 -6.237 1.00 2.24 H new ATOM 0 HG2 LYS A 52 2.774 10.396 -5.541 1.00 54.41 H new ATOM 0 HG3 LYS A 52 1.336 9.491 -5.112 1.00 54.41 H new ATOM 0 HD2 LYS A 52 2.050 8.713 -7.289 1.00 61.01 H new ATOM 0 HD3 LYS A 52 0.575 9.630 -7.524 1.00 61.01 H new ATOM 0 HE2 LYS A 52 1.886 11.598 -8.264 1.00 34.32 H new ATOM 0 HE3 LYS A 52 3.383 10.737 -7.964 1.00 34.32 H new ATOM 0 HZ1 LYS A 52 2.634 10.745 -10.318 1.00 75.32 H new ATOM 0 HZ2 LYS A 52 2.892 9.191 -9.683 1.00 75.32 H new ATOM 0 HZ3 LYS A 52 1.310 9.782 -9.868 1.00 75.32 H new ATOM 832 N PRO A 53 -0.997 10.968 -3.039 1.00 53.31 N ATOM 833 CA PRO A 53 -1.672 9.878 -2.288 1.00 61.22 C ATOM 834 C PRO A 53 -1.593 8.524 -3.040 1.00 51.41 C ATOM 835 O PRO A 53 -2.218 8.341 -4.096 1.00 1.34 O ATOM 836 CB PRO A 53 -3.131 10.391 -2.153 1.00 63.11 C ATOM 837 CG PRO A 53 -3.335 11.284 -3.343 1.00 51.55 C ATOM 838 CD PRO A 53 -1.989 11.937 -3.605 1.00 4.35 C ATOM 0 HA PRO A 53 -1.208 9.674 -1.323 1.00 61.22 H new ATOM 0 HB2 PRO A 53 -3.842 9.565 -2.152 1.00 63.11 H new ATOM 0 HB3 PRO A 53 -3.274 10.936 -1.220 1.00 63.11 H new ATOM 0 HG2 PRO A 53 -3.667 10.712 -4.209 1.00 51.55 H new ATOM 0 HG3 PRO A 53 -4.101 12.033 -3.143 1.00 51.55 H new ATOM 0 HD2 PRO A 53 -1.825 12.099 -4.670 1.00 4.35 H new ATOM 0 HD3 PRO A 53 -1.917 12.910 -3.120 1.00 4.35 H new ATOM 846 N LEU A 54 -0.774 7.604 -2.509 1.00 63.33 N ATOM 847 CA LEU A 54 -0.650 6.224 -3.030 1.00 64.54 C ATOM 848 C LEU A 54 -1.293 5.230 -2.059 1.00 72.30 C ATOM 849 O LEU A 54 -1.547 5.555 -0.903 1.00 71.32 O ATOM 850 CB LEU A 54 0.851 5.852 -3.261 1.00 34.12 C ATOM 851 CG LEU A 54 1.568 6.576 -4.445 1.00 13.35 C ATOM 852 CD1 LEU A 54 3.045 6.138 -4.580 1.00 71.22 C ATOM 853 CD2 LEU A 54 0.807 6.347 -5.764 1.00 72.32 C ATOM 0 H LEU A 54 -0.176 7.791 -1.704 1.00 63.33 H new ATOM 0 HA LEU A 54 -1.170 6.173 -3.986 1.00 64.54 H new ATOM 0 HB2 LEU A 54 1.402 6.066 -2.345 1.00 34.12 H new ATOM 0 HB3 LEU A 54 0.915 4.777 -3.428 1.00 34.12 H new ATOM 0 HG LEU A 54 1.566 7.643 -4.223 1.00 13.35 H new ATOM 0 HD11 LEU A 54 3.506 6.665 -5.415 1.00 71.22 H new ATOM 0 HD12 LEU A 54 3.580 6.376 -3.661 1.00 71.22 H new ATOM 0 HD13 LEU A 54 3.091 5.064 -4.759 1.00 71.22 H new ATOM 0 HD21 LEU A 54 1.323 6.860 -6.576 1.00 72.32 H new ATOM 0 HD22 LEU A 54 0.764 5.279 -5.979 1.00 72.32 H new ATOM 0 HD23 LEU A 54 -0.206 6.740 -5.673 1.00 72.32 H new ATOM 865 N VAL A 55 -1.570 4.019 -2.559 1.00 61.00 N ATOM 866 CA VAL A 55 -1.989 2.869 -1.740 1.00 5.23 C ATOM 867 C VAL A 55 -1.150 1.649 -2.173 1.00 32.24 C ATOM 868 O VAL A 55 -1.235 1.224 -3.330 1.00 3.15 O ATOM 869 CB VAL A 55 -3.536 2.549 -1.883 1.00 30.22 C ATOM 870 CG1 VAL A 55 -3.930 1.307 -1.052 1.00 23.51 C ATOM 871 CG2 VAL A 55 -4.410 3.767 -1.486 1.00 14.41 C ATOM 0 H VAL A 55 -1.509 3.805 -3.555 1.00 61.00 H new ATOM 0 HA VAL A 55 -1.823 3.109 -0.690 1.00 5.23 H new ATOM 0 HB VAL A 55 -3.722 2.331 -2.935 1.00 30.22 H new ATOM 0 HG11 VAL A 55 -4.996 1.113 -1.170 1.00 23.51 H new ATOM 0 HG12 VAL A 55 -3.363 0.443 -1.398 1.00 23.51 H new ATOM 0 HG13 VAL A 55 -3.709 1.488 -0.000 1.00 23.51 H new ATOM 0 HG21 VAL A 55 -5.464 3.510 -1.597 1.00 14.41 H new ATOM 0 HG22 VAL A 55 -4.209 4.036 -0.449 1.00 14.41 H new ATOM 0 HG23 VAL A 55 -4.172 4.612 -2.133 1.00 14.41 H new ATOM 881 N VAL A 56 -0.298 1.143 -1.260 1.00 12.40 N ATOM 882 CA VAL A 56 0.530 -0.055 -1.500 1.00 64.25 C ATOM 883 C VAL A 56 -0.164 -1.299 -0.950 1.00 54.43 C ATOM 884 O VAL A 56 -0.336 -1.433 0.263 1.00 22.10 O ATOM 885 CB VAL A 56 1.953 0.070 -0.834 1.00 53.11 C ATOM 886 CG1 VAL A 56 2.800 -1.220 -1.013 1.00 5.31 C ATOM 887 CG2 VAL A 56 2.701 1.284 -1.393 1.00 13.44 C ATOM 0 H VAL A 56 -0.165 1.553 -0.336 1.00 12.40 H new ATOM 0 HA VAL A 56 0.659 -0.142 -2.579 1.00 64.25 H new ATOM 0 HB VAL A 56 1.798 0.209 0.236 1.00 53.11 H new ATOM 0 HG11 VAL A 56 3.772 -1.086 -0.538 1.00 5.31 H new ATOM 0 HG12 VAL A 56 2.283 -2.062 -0.552 1.00 5.31 H new ATOM 0 HG13 VAL A 56 2.940 -1.419 -2.076 1.00 5.31 H new ATOM 0 HG21 VAL A 56 3.682 1.356 -0.922 1.00 13.44 H new ATOM 0 HG22 VAL A 56 2.823 1.172 -2.470 1.00 13.44 H new ATOM 0 HG23 VAL A 56 2.132 2.190 -1.185 1.00 13.44 H new ATOM 897 N PHE A 57 -0.576 -2.189 -1.848 1.00 61.34 N ATOM 898 CA PHE A 57 -1.011 -3.533 -1.487 1.00 70.41 C ATOM 899 C PHE A 57 0.221 -4.449 -1.442 1.00 24.35 C ATOM 900 O PHE A 57 0.776 -4.791 -2.492 1.00 44.54 O ATOM 901 CB PHE A 57 -2.027 -4.050 -2.537 1.00 2.25 C ATOM 902 CG PHE A 57 -3.352 -3.292 -2.570 1.00 54.43 C ATOM 903 CD1 PHE A 57 -3.489 -2.107 -3.293 1.00 55.41 C ATOM 904 CD2 PHE A 57 -4.464 -3.771 -1.874 1.00 42.40 C ATOM 905 CE1 PHE A 57 -4.694 -1.434 -3.327 1.00 24.11 C ATOM 906 CE2 PHE A 57 -5.665 -3.095 -1.910 1.00 4.04 C ATOM 907 CZ PHE A 57 -5.779 -1.926 -2.632 1.00 52.53 C ATOM 0 H PHE A 57 -0.617 -1.997 -2.849 1.00 61.34 H new ATOM 0 HA PHE A 57 -1.496 -3.524 -0.511 1.00 70.41 H new ATOM 0 HB2 PHE A 57 -1.568 -3.995 -3.524 1.00 2.25 H new ATOM 0 HB3 PHE A 57 -2.231 -5.102 -2.338 1.00 2.25 H new ATOM 0 HD1 PHE A 57 -2.642 -1.711 -3.833 1.00 55.41 H new ATOM 0 HD2 PHE A 57 -4.382 -4.682 -1.300 1.00 42.40 H new ATOM 0 HE1 PHE A 57 -4.787 -0.522 -3.898 1.00 24.11 H new ATOM 0 HE2 PHE A 57 -6.518 -3.482 -1.372 1.00 4.04 H new ATOM 0 HZ PHE A 57 -6.719 -1.395 -2.653 1.00 52.53 H new ATOM 917 N VAL A 58 0.669 -4.827 -0.232 1.00 11.54 N ATOM 918 CA VAL A 58 1.735 -5.826 -0.078 1.00 25.44 C ATOM 919 C VAL A 58 1.091 -7.226 -0.156 1.00 71.32 C ATOM 920 O VAL A 58 0.388 -7.662 0.763 1.00 62.15 O ATOM 921 CB VAL A 58 2.615 -5.627 1.235 1.00 63.11 C ATOM 922 CG1 VAL A 58 3.317 -4.251 1.248 1.00 31.44 C ATOM 923 CG2 VAL A 58 1.833 -5.822 2.546 1.00 34.22 C ATOM 0 H VAL A 58 0.310 -4.457 0.648 1.00 11.54 H new ATOM 0 HA VAL A 58 2.452 -5.702 -0.890 1.00 25.44 H new ATOM 0 HB VAL A 58 3.364 -6.417 1.190 1.00 63.11 H new ATOM 0 HG11 VAL A 58 3.908 -4.152 2.159 1.00 31.44 H new ATOM 0 HG12 VAL A 58 3.972 -4.168 0.380 1.00 31.44 H new ATOM 0 HG13 VAL A 58 2.568 -3.460 1.214 1.00 31.44 H new ATOM 0 HG21 VAL A 58 2.501 -5.670 3.394 1.00 34.22 H new ATOM 0 HG22 VAL A 58 1.017 -5.101 2.593 1.00 34.22 H new ATOM 0 HG23 VAL A 58 1.427 -6.833 2.581 1.00 34.22 H new ATOM 933 N ASN A 59 1.255 -7.894 -1.314 1.00 60.05 N ATOM 934 CA ASN A 59 0.675 -9.230 -1.558 1.00 34.42 C ATOM 935 C ASN A 59 1.413 -10.286 -0.725 1.00 13.54 C ATOM 936 O ASN A 59 2.340 -10.939 -1.220 1.00 64.22 O ATOM 937 CB ASN A 59 0.688 -9.610 -3.070 1.00 32.25 C ATOM 938 CG ASN A 59 -0.297 -8.820 -3.935 1.00 21.42 C ATOM 939 OD1 ASN A 59 -0.550 -7.640 -3.709 1.00 63.11 O ATOM 940 ND2 ASN A 59 -0.881 -9.482 -4.925 1.00 42.23 N ATOM 0 H ASN A 59 1.789 -7.527 -2.102 1.00 60.05 H new ATOM 0 HA ASN A 59 -0.370 -9.198 -1.248 1.00 34.42 H new ATOM 0 HB2 ASN A 59 1.695 -9.460 -3.460 1.00 32.25 H new ATOM 0 HB3 ASN A 59 0.464 -10.672 -3.166 1.00 32.25 H new ATOM 0 HD21 ASN A 59 -1.560 -9.011 -5.523 1.00 42.23 H new ATOM 0 HD22 ASN A 59 -0.651 -10.462 -5.089 1.00 42.23 H new ATOM 947 N GLY A 60 0.999 -10.418 0.556 1.00 62.42 N ATOM 948 CA GLY A 60 1.599 -11.368 1.494 1.00 3.20 C ATOM 949 C GLY A 60 3.102 -11.190 1.652 1.00 32.32 C ATOM 950 O GLY A 60 3.830 -12.174 1.820 1.00 1.40 O ATOM 0 H GLY A 60 0.241 -9.866 0.958 1.00 62.42 H new ATOM 0 HA2 GLY A 60 1.123 -11.256 2.468 1.00 3.20 H new ATOM 0 HA3 GLY A 60 1.394 -12.383 1.153 1.00 3.20 H new ATOM 954 N ALA A 61 3.564 -9.927 1.563 1.00 11.14 N ATOM 955 CA ALA A 61 4.991 -9.595 1.667 1.00 20.25 C ATOM 956 C ALA A 61 5.470 -9.791 3.110 1.00 55.52 C ATOM 957 O ALA A 61 4.703 -9.554 4.063 1.00 31.11 O ATOM 958 CB ALA A 61 5.265 -8.161 1.184 1.00 45.03 C ATOM 0 H ALA A 61 2.961 -9.117 1.418 1.00 11.14 H new ATOM 0 HA ALA A 61 5.551 -10.269 1.019 1.00 20.25 H new ATOM 0 HB1 ALA A 61 6.330 -7.944 1.273 1.00 45.03 H new ATOM 0 HB2 ALA A 61 4.961 -8.064 0.142 1.00 45.03 H new ATOM 0 HB3 ALA A 61 4.699 -7.457 1.794 1.00 45.03 H new ATOM 964 N SER A 62 6.729 -10.222 3.256 1.00 41.24 N ATOM 965 CA SER A 62 7.316 -10.562 4.559 1.00 22.45 C ATOM 966 C SER A 62 7.504 -9.296 5.411 1.00 11.42 C ATOM 967 O SER A 62 7.582 -8.181 4.872 1.00 23.04 O ATOM 968 CB SER A 62 8.656 -11.290 4.340 1.00 43.44 C ATOM 969 OG SER A 62 8.487 -12.405 3.471 1.00 71.41 O ATOM 0 H SER A 62 7.371 -10.345 2.473 1.00 41.24 H new ATOM 0 HA SER A 62 6.641 -11.225 5.100 1.00 22.45 H new ATOM 0 HB2 SER A 62 9.386 -10.600 3.916 1.00 43.44 H new ATOM 0 HB3 SER A 62 9.054 -11.626 5.298 1.00 43.44 H new ATOM 0 HG SER A 62 9.349 -12.853 3.343 1.00 71.41 H new ATOM 975 N GLN A 63 7.574 -9.474 6.743 1.00 51.13 N ATOM 976 CA GLN A 63 7.712 -8.350 7.690 1.00 61.13 C ATOM 977 C GLN A 63 9.062 -7.627 7.480 1.00 52.04 C ATOM 978 O GLN A 63 9.180 -6.457 7.812 1.00 32.13 O ATOM 979 CB GLN A 63 7.543 -8.828 9.160 1.00 2.24 C ATOM 980 CG GLN A 63 7.447 -7.688 10.200 1.00 24.13 C ATOM 981 CD GLN A 63 7.175 -8.184 11.620 1.00 60.34 C ATOM 982 OE1 GLN A 63 8.101 -8.459 12.390 1.00 41.44 O ATOM 983 NE2 GLN A 63 5.901 -8.312 11.976 1.00 43.13 N ATOM 0 H GLN A 63 7.537 -10.390 7.190 1.00 51.13 H new ATOM 0 HA GLN A 63 6.914 -7.635 7.490 1.00 61.13 H new ATOM 0 HB2 GLN A 63 6.644 -9.441 9.228 1.00 2.24 H new ATOM 0 HB3 GLN A 63 8.386 -9.469 9.419 1.00 2.24 H new ATOM 0 HG2 GLN A 63 8.378 -7.121 10.193 1.00 24.13 H new ATOM 0 HG3 GLN A 63 6.653 -7.002 9.904 1.00 24.13 H new ATOM 0 HE21 GLN A 63 5.161 -8.076 11.315 1.00 43.13 H new ATOM 0 HE22 GLN A 63 5.664 -8.646 12.910 1.00 43.13 H new ATOM 992 N ASN A 64 10.057 -8.346 6.903 1.00 52.15 N ATOM 993 CA ASN A 64 11.358 -7.772 6.471 1.00 2.01 C ATOM 994 C ASN A 64 11.145 -6.627 5.452 1.00 44.42 C ATOM 995 O ASN A 64 11.763 -5.562 5.555 1.00 72.13 O ATOM 996 CB ASN A 64 12.249 -8.865 5.816 1.00 21.11 C ATOM 997 CG ASN A 64 12.590 -10.051 6.719 1.00 33.45 C ATOM 998 OD1 ASN A 64 12.636 -9.941 7.947 1.00 44.53 O ATOM 999 ND2 ASN A 64 12.857 -11.195 6.108 1.00 24.15 N ATOM 0 H ASN A 64 9.979 -9.347 6.723 1.00 52.15 H new ATOM 0 HA ASN A 64 11.853 -7.379 7.359 1.00 2.01 H new ATOM 0 HB2 ASN A 64 11.743 -9.239 4.926 1.00 21.11 H new ATOM 0 HB3 ASN A 64 13.178 -8.403 5.483 1.00 21.11 H new ATOM 0 HD21 ASN A 64 13.110 -12.018 6.655 1.00 24.15 H new ATOM 0 HD22 ASN A 64 12.810 -11.253 5.091 1.00 24.15 H new ATOM 1006 N ASP A 65 10.259 -6.888 4.469 1.00 41.54 N ATOM 1007 CA ASP A 65 9.887 -5.927 3.404 1.00 24.32 C ATOM 1008 C ASP A 65 9.143 -4.725 3.998 1.00 13.02 C ATOM 1009 O ASP A 65 9.382 -3.575 3.615 1.00 34.10 O ATOM 1010 CB ASP A 65 8.991 -6.625 2.349 1.00 50.11 C ATOM 1011 CG ASP A 65 9.687 -7.821 1.685 1.00 40.22 C ATOM 1012 OD1 ASP A 65 9.646 -8.938 2.244 1.00 32.21 O ATOM 1013 OD2 ASP A 65 10.312 -7.646 0.631 1.00 5.23 O ATOM 0 H ASP A 65 9.775 -7.782 4.389 1.00 41.54 H new ATOM 0 HA ASP A 65 10.800 -5.573 2.926 1.00 24.32 H new ATOM 0 HB2 ASP A 65 8.071 -6.963 2.825 1.00 50.11 H new ATOM 0 HB3 ASP A 65 8.707 -5.903 1.583 1.00 50.11 H new ATOM 1018 N VAL A 66 8.239 -5.028 4.948 1.00 63.00 N ATOM 1019 CA VAL A 66 7.474 -4.022 5.703 1.00 72.21 C ATOM 1020 C VAL A 66 8.435 -3.150 6.542 1.00 24.51 C ATOM 1021 O VAL A 66 8.236 -1.942 6.659 1.00 22.13 O ATOM 1022 CB VAL A 66 6.392 -4.707 6.631 1.00 40.51 C ATOM 1023 CG1 VAL A 66 5.578 -3.671 7.450 1.00 52.15 C ATOM 1024 CG2 VAL A 66 5.453 -5.614 5.792 1.00 74.12 C ATOM 0 H VAL A 66 8.018 -5.987 5.214 1.00 63.00 H new ATOM 0 HA VAL A 66 6.947 -3.386 4.992 1.00 72.21 H new ATOM 0 HB VAL A 66 6.927 -5.327 7.351 1.00 40.51 H new ATOM 0 HG11 VAL A 66 4.848 -4.191 8.071 1.00 52.15 H new ATOM 0 HG12 VAL A 66 6.253 -3.098 8.085 1.00 52.15 H new ATOM 0 HG13 VAL A 66 5.060 -2.996 6.769 1.00 52.15 H new ATOM 0 HG21 VAL A 66 4.715 -6.077 6.446 1.00 74.12 H new ATOM 0 HG22 VAL A 66 4.944 -5.013 5.039 1.00 74.12 H new ATOM 0 HG23 VAL A 66 6.040 -6.390 5.301 1.00 74.12 H new ATOM 1034 N ASN A 67 9.502 -3.780 7.078 1.00 14.14 N ATOM 1035 CA ASN A 67 10.533 -3.090 7.889 1.00 44.45 C ATOM 1036 C ASN A 67 11.305 -2.079 7.031 1.00 2.32 C ATOM 1037 O ASN A 67 11.522 -0.942 7.457 1.00 14.54 O ATOM 1038 CB ASN A 67 11.523 -4.096 8.561 1.00 43.50 C ATOM 1039 CG ASN A 67 10.909 -4.883 9.727 1.00 51.32 C ATOM 1040 OD1 ASN A 67 10.039 -4.382 10.447 1.00 32.44 O ATOM 1041 ND2 ASN A 67 11.355 -6.116 9.920 1.00 61.35 N ATOM 0 H ASN A 67 9.675 -4.779 6.962 1.00 14.14 H new ATOM 0 HA ASN A 67 10.013 -2.559 8.687 1.00 44.45 H new ATOM 0 HB2 ASN A 67 11.879 -4.799 7.808 1.00 43.50 H new ATOM 0 HB3 ASN A 67 12.393 -3.548 8.923 1.00 43.50 H new ATOM 0 HD21 ASN A 67 10.979 -6.681 10.681 1.00 61.35 H new ATOM 0 HD22 ASN A 67 12.074 -6.500 9.307 1.00 61.35 H new ATOM 1048 N GLU A 68 11.689 -2.505 5.810 1.00 14.42 N ATOM 1049 CA GLU A 68 12.346 -1.629 4.818 1.00 34.22 C ATOM 1050 C GLU A 68 11.435 -0.451 4.447 1.00 32.25 C ATOM 1051 O GLU A 68 11.904 0.668 4.296 1.00 43.33 O ATOM 1052 CB GLU A 68 12.718 -2.427 3.541 1.00 31.21 C ATOM 1053 CG GLU A 68 13.761 -3.529 3.766 1.00 71.34 C ATOM 1054 CD GLU A 68 13.956 -4.414 2.530 1.00 13.25 C ATOM 1055 OE1 GLU A 68 14.698 -4.004 1.609 1.00 42.50 O ATOM 1056 OE2 GLU A 68 13.365 -5.514 2.472 1.00 54.35 O ATOM 0 H GLU A 68 11.553 -3.462 5.485 1.00 14.42 H new ATOM 0 HA GLU A 68 13.259 -1.240 5.268 1.00 34.22 H new ATOM 0 HB2 GLU A 68 11.814 -2.877 3.132 1.00 31.21 H new ATOM 0 HB3 GLU A 68 13.096 -1.733 2.790 1.00 31.21 H new ATOM 0 HG2 GLU A 68 14.714 -3.073 4.037 1.00 71.34 H new ATOM 0 HG3 GLU A 68 13.454 -4.149 4.608 1.00 71.34 H new ATOM 1063 N PHE A 69 10.121 -0.732 4.330 1.00 52.33 N ATOM 1064 CA PHE A 69 9.120 0.281 3.968 1.00 24.30 C ATOM 1065 C PHE A 69 9.052 1.380 5.048 1.00 10.52 C ATOM 1066 O PHE A 69 9.075 2.570 4.738 1.00 50.45 O ATOM 1067 CB PHE A 69 7.725 -0.372 3.747 1.00 42.14 C ATOM 1068 CG PHE A 69 6.714 0.550 3.064 1.00 30.02 C ATOM 1069 CD1 PHE A 69 5.883 1.397 3.807 1.00 52.33 C ATOM 1070 CD2 PHE A 69 6.603 0.577 1.670 1.00 54.22 C ATOM 1071 CE1 PHE A 69 4.984 2.237 3.180 1.00 23.01 C ATOM 1072 CE2 PHE A 69 5.699 1.418 1.047 1.00 44.25 C ATOM 1073 CZ PHE A 69 4.890 2.242 1.800 1.00 51.11 C ATOM 0 H PHE A 69 9.730 -1.662 4.483 1.00 52.33 H new ATOM 0 HA PHE A 69 9.423 0.744 3.029 1.00 24.30 H new ATOM 0 HB2 PHE A 69 7.847 -1.272 3.145 1.00 42.14 H new ATOM 0 HB3 PHE A 69 7.324 -0.685 4.711 1.00 42.14 H new ATOM 0 HD1 PHE A 69 5.946 1.393 4.885 1.00 52.33 H new ATOM 0 HD2 PHE A 69 7.231 -0.067 1.073 1.00 54.22 H new ATOM 0 HE1 PHE A 69 4.355 2.890 3.767 1.00 23.01 H new ATOM 0 HE2 PHE A 69 5.627 1.429 -0.031 1.00 44.25 H new ATOM 0 HZ PHE A 69 4.181 2.893 1.311 1.00 51.11 H new ATOM 1083 N GLN A 70 9.012 0.947 6.317 1.00 45.21 N ATOM 1084 CA GLN A 70 8.875 1.845 7.474 1.00 12.42 C ATOM 1085 C GLN A 70 10.147 2.696 7.669 1.00 64.33 C ATOM 1086 O GLN A 70 10.054 3.925 7.777 1.00 32.35 O ATOM 1087 CB GLN A 70 8.539 1.014 8.744 1.00 43.53 C ATOM 1088 CG GLN A 70 7.200 0.248 8.643 1.00 61.25 C ATOM 1089 CD GLN A 70 6.966 -0.732 9.793 1.00 74.24 C ATOM 1090 OE1 GLN A 70 6.365 -0.393 10.810 1.00 54.42 O ATOM 1091 NE2 GLN A 70 7.472 -1.950 9.656 1.00 24.11 N ATOM 0 H GLN A 70 9.074 -0.039 6.571 1.00 45.21 H new ATOM 0 HA GLN A 70 8.055 2.539 7.291 1.00 12.42 H new ATOM 0 HB2 GLN A 70 9.343 0.301 8.926 1.00 43.53 H new ATOM 0 HB3 GLN A 70 8.503 1.680 9.606 1.00 43.53 H new ATOM 0 HG2 GLN A 70 6.381 0.967 8.617 1.00 61.25 H new ATOM 0 HG3 GLN A 70 7.174 -0.299 7.700 1.00 61.25 H new ATOM 0 HE21 GLN A 70 7.966 -2.204 8.801 1.00 24.11 H new ATOM 0 HE22 GLN A 70 7.367 -2.633 10.406 1.00 24.11 H new ATOM 1100 N ASN A 71 11.329 2.034 7.664 1.00 62.22 N ATOM 1101 CA ASN A 71 12.641 2.696 7.875 1.00 33.02 C ATOM 1102 C ASN A 71 12.960 3.697 6.752 1.00 25.53 C ATOM 1103 O ASN A 71 13.316 4.849 7.040 1.00 43.53 O ATOM 1104 CB ASN A 71 13.799 1.658 8.016 1.00 51.33 C ATOM 1105 CG ASN A 71 13.903 1.025 9.412 1.00 45.22 C ATOM 1106 OD1 ASN A 71 14.549 1.574 10.305 1.00 64.32 O ATOM 1107 ND2 ASN A 71 13.306 -0.137 9.606 1.00 34.22 N ATOM 0 H ASN A 71 11.401 1.028 7.514 1.00 62.22 H new ATOM 0 HA ASN A 71 12.563 3.247 8.812 1.00 33.02 H new ATOM 0 HB2 ASN A 71 13.656 0.867 7.279 1.00 51.33 H new ATOM 0 HB3 ASN A 71 14.743 2.148 7.779 1.00 51.33 H new ATOM 0 HD21 ASN A 71 13.374 -0.600 10.512 1.00 34.22 H new ATOM 0 HD22 ASN A 71 12.777 -0.571 8.850 1.00 34.22 H new ATOM 1114 N GLU A 72 12.824 3.259 5.478 1.00 41.21 N ATOM 1115 CA GLU A 72 13.144 4.118 4.315 1.00 65.40 C ATOM 1116 C GLU A 72 12.186 5.311 4.228 1.00 72.35 C ATOM 1117 O GLU A 72 12.614 6.420 3.911 1.00 50.34 O ATOM 1118 CB GLU A 72 13.141 3.337 2.974 1.00 2.23 C ATOM 1119 CG GLU A 72 14.216 2.237 2.857 1.00 34.23 C ATOM 1120 CD GLU A 72 15.646 2.729 3.144 1.00 34.21 C ATOM 1121 OE1 GLU A 72 16.216 3.470 2.308 1.00 21.53 O ATOM 1122 OE2 GLU A 72 16.218 2.356 4.193 1.00 35.12 O ATOM 0 H GLU A 72 12.498 2.325 5.231 1.00 41.21 H new ATOM 0 HA GLU A 72 14.158 4.484 4.478 1.00 65.40 H new ATOM 0 HB2 GLU A 72 12.160 2.881 2.839 1.00 2.23 H new ATOM 0 HB3 GLU A 72 13.278 4.046 2.158 1.00 2.23 H new ATOM 0 HG2 GLU A 72 13.974 1.431 3.550 1.00 34.23 H new ATOM 0 HG3 GLU A 72 14.182 1.815 1.853 1.00 34.23 H new ATOM 1129 N ALA A 73 10.896 5.086 4.530 1.00 41.20 N ATOM 1130 CA ALA A 73 9.898 6.167 4.526 1.00 74.53 C ATOM 1131 C ALA A 73 10.230 7.233 5.593 1.00 4.52 C ATOM 1132 O ALA A 73 10.332 8.422 5.273 1.00 60.54 O ATOM 1133 CB ALA A 73 8.484 5.604 4.721 1.00 54.44 C ATOM 0 H ALA A 73 10.522 4.170 4.779 1.00 41.20 H new ATOM 0 HA ALA A 73 9.931 6.655 3.552 1.00 74.53 H new ATOM 0 HB1 ALA A 73 7.763 6.421 4.715 1.00 54.44 H new ATOM 0 HB2 ALA A 73 8.254 4.911 3.912 1.00 54.44 H new ATOM 0 HB3 ALA A 73 8.430 5.080 5.675 1.00 54.44 H new ATOM 1139 N LYS A 74 10.474 6.792 6.843 1.00 21.14 N ATOM 1140 CA LYS A 74 10.636 7.721 7.983 1.00 12.20 C ATOM 1141 C LYS A 74 11.951 8.528 7.907 1.00 31.23 C ATOM 1142 O LYS A 74 11.978 9.695 8.313 1.00 51.23 O ATOM 1143 CB LYS A 74 10.521 6.978 9.346 1.00 32.21 C ATOM 1144 CG LYS A 74 11.685 6.020 9.692 1.00 24.21 C ATOM 1145 CD LYS A 74 11.472 5.276 11.033 1.00 74.01 C ATOM 1146 CE LYS A 74 10.203 4.405 11.033 1.00 0.35 C ATOM 1147 NZ LYS A 74 9.990 3.723 12.331 1.00 22.43 N ATOM 0 H LYS A 74 10.563 5.806 7.090 1.00 21.14 H new ATOM 0 HA LYS A 74 9.816 8.436 7.914 1.00 12.20 H new ATOM 0 HB2 LYS A 74 10.441 7.722 10.138 1.00 32.21 H new ATOM 0 HB3 LYS A 74 9.592 6.407 9.350 1.00 32.21 H new ATOM 0 HG2 LYS A 74 11.799 5.290 8.891 1.00 24.21 H new ATOM 0 HG3 LYS A 74 12.614 6.588 9.740 1.00 24.21 H new ATOM 0 HD2 LYS A 74 12.339 4.648 11.237 1.00 74.01 H new ATOM 0 HD3 LYS A 74 11.408 6.004 11.842 1.00 74.01 H new ATOM 0 HE2 LYS A 74 9.338 5.027 10.806 1.00 0.35 H new ATOM 0 HE3 LYS A 74 10.276 3.660 10.241 1.00 0.35 H new ATOM 0 HZ1 LYS A 74 9.124 3.149 12.283 1.00 22.43 H new ATOM 0 HZ2 LYS A 74 10.803 3.108 12.537 1.00 22.43 H new ATOM 0 HZ3 LYS A 74 9.893 4.433 13.085 1.00 22.43 H new ATOM 1161 N LYS A 75 13.031 7.917 7.361 1.00 42.51 N ATOM 1162 CA LYS A 75 14.353 8.593 7.248 1.00 1.12 C ATOM 1163 C LYS A 75 14.337 9.670 6.150 1.00 73.24 C ATOM 1164 O LYS A 75 15.125 10.617 6.193 1.00 42.44 O ATOM 1165 CB LYS A 75 15.503 7.573 6.986 1.00 11.43 C ATOM 1166 CG LYS A 75 15.458 6.854 5.618 1.00 70.42 C ATOM 1167 CD LYS A 75 16.630 5.865 5.403 1.00 14.14 C ATOM 1168 CE LYS A 75 16.741 4.797 6.506 1.00 13.34 C ATOM 1169 NZ LYS A 75 17.826 3.819 6.216 1.00 64.20 N ATOM 0 H LYS A 75 13.017 6.965 6.994 1.00 42.51 H new ATOM 0 HA LYS A 75 14.544 9.078 8.206 1.00 1.12 H new ATOM 0 HB2 LYS A 75 16.455 8.097 7.070 1.00 11.43 H new ATOM 0 HB3 LYS A 75 15.483 6.820 7.773 1.00 11.43 H new ATOM 0 HG2 LYS A 75 14.516 6.313 5.531 1.00 70.42 H new ATOM 0 HG3 LYS A 75 15.472 7.600 4.823 1.00 70.42 H new ATOM 0 HD2 LYS A 75 16.505 5.370 4.440 1.00 14.14 H new ATOM 0 HD3 LYS A 75 17.564 6.425 5.355 1.00 14.14 H new ATOM 0 HE2 LYS A 75 16.933 5.281 7.464 1.00 13.34 H new ATOM 0 HE3 LYS A 75 15.791 4.270 6.600 1.00 13.34 H new ATOM 0 HZ1 LYS A 75 18.068 3.301 7.085 1.00 64.20 H new ATOM 0 HZ2 LYS A 75 17.503 3.147 5.491 1.00 64.20 H new ATOM 0 HZ3 LYS A 75 18.666 4.325 5.870 1.00 64.20 H new ATOM 1183 N GLU A 76 13.427 9.507 5.172 1.00 24.33 N ATOM 1184 CA GLU A 76 13.251 10.451 4.052 1.00 22.33 C ATOM 1185 C GLU A 76 12.125 11.466 4.341 1.00 42.23 C ATOM 1186 O GLU A 76 11.862 12.351 3.518 1.00 12.20 O ATOM 1187 CB GLU A 76 12.960 9.649 2.760 1.00 14.31 C ATOM 1188 CG GLU A 76 14.063 8.641 2.354 1.00 23.41 C ATOM 1189 CD GLU A 76 15.439 9.281 2.092 1.00 15.23 C ATOM 1190 OE1 GLU A 76 16.220 9.481 3.051 1.00 70.42 O ATOM 1191 OE2 GLU A 76 15.748 9.599 0.922 1.00 50.50 O ATOM 0 H GLU A 76 12.789 8.712 5.136 1.00 24.33 H new ATOM 0 HA GLU A 76 14.168 11.026 3.923 1.00 22.33 H new ATOM 0 HB2 GLU A 76 12.023 9.107 2.890 1.00 14.31 H new ATOM 0 HB3 GLU A 76 12.811 10.351 1.940 1.00 14.31 H new ATOM 0 HG2 GLU A 76 14.166 7.895 3.142 1.00 23.41 H new ATOM 0 HG3 GLU A 76 13.744 8.113 1.456 1.00 23.41 H new ATOM 1198 N GLY A 77 11.473 11.327 5.516 1.00 62.43 N ATOM 1199 CA GLY A 77 10.384 12.222 5.936 1.00 10.42 C ATOM 1200 C GLY A 77 9.042 11.914 5.274 1.00 4.33 C ATOM 1201 O GLY A 77 8.084 12.684 5.420 1.00 33.31 O ATOM 0 H GLY A 77 11.688 10.595 6.193 1.00 62.43 H new ATOM 0 HA2 GLY A 77 10.269 12.155 7.018 1.00 10.42 H new ATOM 0 HA3 GLY A 77 10.663 13.251 5.708 1.00 10.42 H new ATOM 1205 N VAL A 78 8.988 10.790 4.542 1.00 71.44 N ATOM 1206 CA VAL A 78 7.784 10.312 3.849 1.00 21.02 C ATOM 1207 C VAL A 78 6.723 9.863 4.876 1.00 63.43 C ATOM 1208 O VAL A 78 7.007 9.028 5.755 1.00 30.23 O ATOM 1209 CB VAL A 78 8.140 9.114 2.882 1.00 75.31 C ATOM 1210 CG1 VAL A 78 6.888 8.509 2.211 1.00 3.23 C ATOM 1211 CG2 VAL A 78 9.188 9.538 1.822 1.00 43.01 C ATOM 0 H VAL A 78 9.794 10.178 4.414 1.00 71.44 H new ATOM 0 HA VAL A 78 7.379 11.131 3.255 1.00 21.02 H new ATOM 0 HB VAL A 78 8.580 8.332 3.501 1.00 75.31 H new ATOM 0 HG11 VAL A 78 7.186 7.690 1.557 1.00 3.23 H new ATOM 0 HG12 VAL A 78 6.210 8.133 2.977 1.00 3.23 H new ATOM 0 HG13 VAL A 78 6.383 9.276 1.625 1.00 3.23 H new ATOM 0 HG21 VAL A 78 9.411 8.692 1.172 1.00 43.01 H new ATOM 0 HG22 VAL A 78 8.790 10.359 1.225 1.00 43.01 H new ATOM 0 HG23 VAL A 78 10.101 9.862 2.322 1.00 43.01 H new ATOM 1221 N SER A 79 5.521 10.446 4.766 1.00 52.33 N ATOM 1222 CA SER A 79 4.364 10.065 5.576 1.00 32.10 C ATOM 1223 C SER A 79 3.791 8.737 5.056 1.00 34.15 C ATOM 1224 O SER A 79 3.613 8.562 3.845 1.00 44.41 O ATOM 1225 CB SER A 79 3.300 11.185 5.524 1.00 14.45 C ATOM 1226 OG SER A 79 3.806 12.379 6.095 1.00 74.03 O ATOM 0 H SER A 79 5.327 11.200 4.107 1.00 52.33 H new ATOM 0 HA SER A 79 4.667 9.929 6.614 1.00 32.10 H new ATOM 0 HB2 SER A 79 3.005 11.366 4.490 1.00 14.45 H new ATOM 0 HB3 SER A 79 2.405 10.869 6.060 1.00 14.45 H new ATOM 0 HG SER A 79 3.121 13.078 6.052 1.00 74.03 H new ATOM 1232 N TYR A 80 3.539 7.800 5.976 1.00 31.03 N ATOM 1233 CA TYR A 80 2.934 6.499 5.659 1.00 4.24 C ATOM 1234 C TYR A 80 1.972 6.102 6.787 1.00 41.34 C ATOM 1235 O TYR A 80 2.131 6.537 7.932 1.00 23.32 O ATOM 1236 CB TYR A 80 4.031 5.404 5.433 1.00 53.54 C ATOM 1237 CG TYR A 80 4.844 4.989 6.676 1.00 5.11 C ATOM 1238 CD1 TYR A 80 5.917 5.759 7.141 1.00 1.13 C ATOM 1239 CD2 TYR A 80 4.540 3.816 7.380 1.00 31.01 C ATOM 1240 CE1 TYR A 80 6.647 5.373 8.255 1.00 34.10 C ATOM 1241 CE2 TYR A 80 5.267 3.438 8.488 1.00 55.24 C ATOM 1242 CZ TYR A 80 6.316 4.215 8.920 1.00 5.44 C ATOM 1243 OH TYR A 80 7.033 3.826 10.036 1.00 24.42 O ATOM 0 H TYR A 80 3.749 7.922 6.967 1.00 31.03 H new ATOM 0 HA TYR A 80 2.374 6.583 4.728 1.00 4.24 H new ATOM 0 HB2 TYR A 80 3.549 4.515 5.026 1.00 53.54 H new ATOM 0 HB3 TYR A 80 4.725 5.766 4.674 1.00 53.54 H new ATOM 0 HD1 TYR A 80 6.181 6.669 6.623 1.00 1.13 H new ATOM 0 HD2 TYR A 80 3.720 3.196 7.048 1.00 31.01 H new ATOM 0 HE1 TYR A 80 7.472 5.979 8.599 1.00 34.10 H new ATOM 0 HE2 TYR A 80 5.013 2.531 9.017 1.00 55.24 H new ATOM 0 HH TYR A 80 6.667 2.986 10.384 1.00 24.42 H new ATOM 1253 N ASP A 81 0.977 5.283 6.448 1.00 22.23 N ATOM 1254 CA ASP A 81 0.010 4.725 7.413 1.00 72.34 C ATOM 1255 C ASP A 81 -0.066 3.218 7.181 1.00 53.14 C ATOM 1256 O ASP A 81 -0.013 2.776 6.041 1.00 14.51 O ATOM 1257 CB ASP A 81 -1.382 5.379 7.232 1.00 24.31 C ATOM 1258 CG ASP A 81 -2.409 4.876 8.262 1.00 75.42 C ATOM 1259 OD1 ASP A 81 -2.339 5.295 9.442 1.00 11.01 O ATOM 1260 OD2 ASP A 81 -3.279 4.052 7.909 1.00 65.02 O ATOM 0 H ASP A 81 0.812 4.981 5.488 1.00 22.23 H new ATOM 0 HA ASP A 81 0.334 4.931 8.433 1.00 72.34 H new ATOM 0 HB2 ASP A 81 -1.285 6.461 7.319 1.00 24.31 H new ATOM 0 HB3 ASP A 81 -1.749 5.172 6.227 1.00 24.31 H new ATOM 1265 N VAL A 82 -0.173 2.429 8.261 1.00 20.31 N ATOM 1266 CA VAL A 82 -0.130 0.952 8.184 1.00 75.21 C ATOM 1267 C VAL A 82 -1.505 0.360 8.561 1.00 23.41 C ATOM 1268 O VAL A 82 -2.047 0.658 9.631 1.00 54.02 O ATOM 1269 CB VAL A 82 1.003 0.376 9.115 1.00 34.22 C ATOM 1270 CG1 VAL A 82 1.087 -1.162 9.009 1.00 72.43 C ATOM 1271 CG2 VAL A 82 2.374 1.026 8.793 1.00 3.04 C ATOM 0 H VAL A 82 -0.291 2.789 9.208 1.00 20.31 H new ATOM 0 HA VAL A 82 0.102 0.664 7.159 1.00 75.21 H new ATOM 0 HB VAL A 82 0.743 0.627 10.143 1.00 34.22 H new ATOM 0 HG11 VAL A 82 1.878 -1.529 9.663 1.00 72.43 H new ATOM 0 HG12 VAL A 82 0.135 -1.600 9.310 1.00 72.43 H new ATOM 0 HG13 VAL A 82 1.307 -1.444 7.979 1.00 72.43 H new ATOM 0 HG21 VAL A 82 3.137 0.610 9.450 1.00 3.04 H new ATOM 0 HG22 VAL A 82 2.638 0.822 7.755 1.00 3.04 H new ATOM 0 HG23 VAL A 82 2.311 2.103 8.947 1.00 3.04 H new ATOM 1281 N LEU A 83 -2.039 -0.491 7.672 1.00 63.21 N ATOM 1282 CA LEU A 83 -3.384 -1.086 7.785 1.00 43.34 C ATOM 1283 C LEU A 83 -3.290 -2.615 7.604 1.00 35.25 C ATOM 1284 O LEU A 83 -3.029 -3.092 6.510 1.00 72.10 O ATOM 1285 CB LEU A 83 -4.317 -0.470 6.696 1.00 14.32 C ATOM 1286 CG LEU A 83 -5.754 -1.090 6.551 1.00 24.03 C ATOM 1287 CD1 LEU A 83 -6.643 -0.815 7.786 1.00 24.04 C ATOM 1288 CD2 LEU A 83 -6.420 -0.606 5.247 1.00 33.04 C ATOM 0 H LEU A 83 -1.539 -0.793 6.836 1.00 63.21 H new ATOM 0 HA LEU A 83 -3.798 -0.873 8.770 1.00 43.34 H new ATOM 0 HB2 LEU A 83 -4.427 0.594 6.907 1.00 14.32 H new ATOM 0 HB3 LEU A 83 -3.814 -0.553 5.733 1.00 14.32 H new ATOM 0 HG LEU A 83 -5.641 -2.173 6.496 1.00 24.03 H new ATOM 0 HD11 LEU A 83 -7.625 -1.264 7.635 1.00 24.04 H new ATOM 0 HD12 LEU A 83 -6.178 -1.247 8.672 1.00 24.04 H new ATOM 0 HD13 LEU A 83 -6.754 0.261 7.922 1.00 24.04 H new ATOM 0 HD21 LEU A 83 -7.414 -1.044 5.162 1.00 33.04 H new ATOM 0 HD22 LEU A 83 -6.503 0.481 5.262 1.00 33.04 H new ATOM 0 HD23 LEU A 83 -5.814 -0.912 4.394 1.00 33.04 H new ATOM 1300 N LYS A 84 -3.456 -3.364 8.702 1.00 45.32 N ATOM 1301 CA LYS A 84 -3.604 -4.841 8.674 1.00 63.02 C ATOM 1302 C LYS A 84 -5.110 -5.188 8.653 1.00 13.21 C ATOM 1303 O LYS A 84 -5.854 -4.677 9.497 1.00 72.25 O ATOM 1304 CB LYS A 84 -2.939 -5.491 9.933 1.00 70.42 C ATOM 1305 CG LYS A 84 -1.411 -5.726 9.869 1.00 14.00 C ATOM 1306 CD LYS A 84 -0.575 -4.430 9.765 1.00 50.33 C ATOM 1307 CE LYS A 84 0.918 -4.664 10.068 1.00 53.43 C ATOM 1308 NZ LYS A 84 1.164 -4.933 11.509 1.00 43.43 N ATOM 0 H LYS A 84 -3.493 -2.970 9.642 1.00 45.32 H new ATOM 0 HA LYS A 84 -3.110 -5.231 7.784 1.00 63.02 H new ATOM 0 HB2 LYS A 84 -3.150 -4.857 10.794 1.00 70.42 H new ATOM 0 HB3 LYS A 84 -3.423 -6.450 10.117 1.00 70.42 H new ATOM 0 HG2 LYS A 84 -1.101 -6.274 10.759 1.00 14.00 H new ATOM 0 HG3 LYS A 84 -1.188 -6.359 9.010 1.00 14.00 H new ATOM 0 HD2 LYS A 84 -0.678 -4.015 8.763 1.00 50.33 H new ATOM 0 HD3 LYS A 84 -0.971 -3.689 10.459 1.00 50.33 H new ATOM 0 HE2 LYS A 84 1.279 -5.505 9.476 1.00 53.43 H new ATOM 0 HE3 LYS A 84 1.491 -3.789 9.761 1.00 53.43 H new ATOM 0 HZ1 LYS A 84 2.187 -4.916 11.696 1.00 43.43 H new ATOM 0 HZ2 LYS A 84 0.695 -4.204 12.083 1.00 43.43 H new ATOM 0 HZ3 LYS A 84 0.782 -5.868 11.758 1.00 43.43 H new ATOM 1322 N SER A 85 -5.551 -6.045 7.701 1.00 54.32 N ATOM 1323 CA SER A 85 -6.966 -6.514 7.644 1.00 71.32 C ATOM 1324 C SER A 85 -7.125 -7.735 6.721 1.00 31.20 C ATOM 1325 O SER A 85 -6.279 -8.000 5.865 1.00 1.11 O ATOM 1326 CB SER A 85 -7.905 -5.378 7.164 1.00 65.02 C ATOM 1327 OG SER A 85 -9.271 -5.777 7.140 1.00 64.14 O ATOM 0 H SER A 85 -4.956 -6.426 6.965 1.00 54.32 H new ATOM 0 HA SER A 85 -7.244 -6.809 8.656 1.00 71.32 H new ATOM 0 HB2 SER A 85 -7.793 -4.516 7.821 1.00 65.02 H new ATOM 0 HB3 SER A 85 -7.605 -5.060 6.166 1.00 65.02 H new ATOM 0 HG SER A 85 -9.832 -5.041 7.462 1.00 64.14 H new ATOM 1333 N THR A 86 -8.240 -8.461 6.913 1.00 72.41 N ATOM 1334 CA THR A 86 -8.645 -9.624 6.097 1.00 44.05 C ATOM 1335 C THR A 86 -9.989 -9.327 5.383 1.00 75.31 C ATOM 1336 O THR A 86 -10.412 -10.084 4.503 1.00 45.35 O ATOM 1337 CB THR A 86 -8.804 -10.899 6.998 1.00 33.44 C ATOM 1338 OG1 THR A 86 -9.770 -10.648 8.033 1.00 63.52 O ATOM 1339 CG2 THR A 86 -7.475 -11.322 7.655 1.00 12.13 C ATOM 0 H THR A 86 -8.903 -8.251 7.659 1.00 72.41 H new ATOM 0 HA THR A 86 -7.870 -9.810 5.353 1.00 44.05 H new ATOM 0 HB THR A 86 -9.135 -11.709 6.348 1.00 33.44 H new ATOM 0 HG1 THR A 86 -9.867 -11.448 8.591 1.00 63.52 H new ATOM 0 HG21 THR A 86 -7.638 -12.208 8.268 1.00 12.13 H new ATOM 0 HG22 THR A 86 -6.741 -11.546 6.881 1.00 12.13 H new ATOM 0 HG23 THR A 86 -7.105 -10.511 8.282 1.00 12.13 H new ATOM 1347 N ASP A 87 -10.647 -8.213 5.791 1.00 11.44 N ATOM 1348 CA ASP A 87 -12.001 -7.832 5.335 1.00 34.40 C ATOM 1349 C ASP A 87 -11.934 -7.135 3.956 1.00 1.12 C ATOM 1350 O ASP A 87 -11.384 -6.035 3.867 1.00 54.24 O ATOM 1351 CB ASP A 87 -12.662 -6.878 6.369 1.00 60.03 C ATOM 1352 CG ASP A 87 -12.859 -7.528 7.747 1.00 51.33 C ATOM 1353 OD1 ASP A 87 -11.885 -7.602 8.534 1.00 70.34 O ATOM 1354 OD2 ASP A 87 -13.983 -7.986 8.046 1.00 23.41 O ATOM 0 H ASP A 87 -10.245 -7.549 6.453 1.00 11.44 H new ATOM 0 HA ASP A 87 -12.600 -8.738 5.243 1.00 34.40 H new ATOM 0 HB2 ASP A 87 -12.044 -5.987 6.479 1.00 60.03 H new ATOM 0 HB3 ASP A 87 -13.629 -6.551 5.987 1.00 60.03 H new ATOM 1359 N PRO A 88 -12.494 -7.757 2.862 1.00 73.35 N ATOM 1360 CA PRO A 88 -12.506 -7.142 1.508 1.00 64.15 C ATOM 1361 C PRO A 88 -13.331 -5.840 1.460 1.00 13.43 C ATOM 1362 O PRO A 88 -12.913 -4.865 0.821 1.00 35.54 O ATOM 1363 CB PRO A 88 -13.110 -8.254 0.602 1.00 52.54 C ATOM 1364 CG PRO A 88 -13.888 -9.127 1.539 1.00 70.10 C ATOM 1365 CD PRO A 88 -13.131 -9.102 2.852 1.00 25.24 C ATOM 0 HA PRO A 88 -11.512 -6.834 1.185 1.00 64.15 H new ATOM 0 HB2 PRO A 88 -13.752 -7.830 -0.170 1.00 52.54 H new ATOM 0 HB3 PRO A 88 -12.328 -8.818 0.092 1.00 52.54 H new ATOM 0 HG2 PRO A 88 -14.905 -8.755 1.667 1.00 70.10 H new ATOM 0 HG3 PRO A 88 -13.967 -10.143 1.152 1.00 70.10 H new ATOM 0 HD2 PRO A 88 -13.799 -9.236 3.703 1.00 25.24 H new ATOM 0 HD3 PRO A 88 -12.388 -9.898 2.902 1.00 25.24 H new ATOM 1373 N GLU A 89 -14.483 -5.830 2.172 1.00 0.42 N ATOM 1374 CA GLU A 89 -15.377 -4.658 2.242 1.00 45.24 C ATOM 1375 C GLU A 89 -14.645 -3.449 2.868 1.00 74.43 C ATOM 1376 O GLU A 89 -14.726 -2.322 2.345 1.00 1.32 O ATOM 1377 CB GLU A 89 -16.677 -4.994 3.035 1.00 3.31 C ATOM 1378 CG GLU A 89 -16.473 -5.378 4.516 1.00 54.12 C ATOM 1379 CD GLU A 89 -17.794 -5.574 5.282 1.00 11.10 C ATOM 1380 OE1 GLU A 89 -18.387 -6.669 5.192 1.00 11.03 O ATOM 1381 OE2 GLU A 89 -18.241 -4.625 5.966 1.00 21.52 O ATOM 0 H GLU A 89 -14.814 -6.631 2.710 1.00 0.42 H new ATOM 0 HA GLU A 89 -15.665 -4.391 1.225 1.00 45.24 H new ATOM 0 HB2 GLU A 89 -17.342 -4.132 2.990 1.00 3.31 H new ATOM 0 HB3 GLU A 89 -17.186 -5.816 2.532 1.00 3.31 H new ATOM 0 HG2 GLU A 89 -15.891 -6.298 4.569 1.00 54.12 H new ATOM 0 HG3 GLU A 89 -15.887 -4.601 5.008 1.00 54.12 H new ATOM 1388 N GLU A 90 -13.876 -3.724 3.955 1.00 74.14 N ATOM 1389 CA GLU A 90 -13.132 -2.696 4.682 1.00 22.11 C ATOM 1390 C GLU A 90 -12.022 -2.140 3.800 1.00 61.43 C ATOM 1391 O GLU A 90 -11.983 -0.943 3.560 1.00 13.40 O ATOM 1392 CB GLU A 90 -12.543 -3.218 6.018 1.00 43.43 C ATOM 1393 CG GLU A 90 -11.710 -2.151 6.763 1.00 31.32 C ATOM 1394 CD GLU A 90 -11.216 -2.569 8.148 1.00 73.24 C ATOM 1395 OE1 GLU A 90 -11.937 -2.338 9.145 1.00 54.35 O ATOM 1396 OE2 GLU A 90 -10.094 -3.103 8.249 1.00 12.13 O ATOM 0 H GLU A 90 -13.764 -4.662 4.339 1.00 74.14 H new ATOM 0 HA GLU A 90 -13.837 -1.904 4.934 1.00 22.11 H new ATOM 0 HB2 GLU A 90 -13.356 -3.552 6.662 1.00 43.43 H new ATOM 0 HB3 GLU A 90 -11.916 -4.087 5.818 1.00 43.43 H new ATOM 0 HG2 GLU A 90 -10.848 -1.891 6.149 1.00 31.32 H new ATOM 0 HG3 GLU A 90 -12.312 -1.248 6.866 1.00 31.32 H new ATOM 1403 N LEU A 91 -11.167 -3.041 3.273 1.00 40.32 N ATOM 1404 CA LEU A 91 -10.006 -2.657 2.450 1.00 65.23 C ATOM 1405 C LEU A 91 -10.417 -1.754 1.269 1.00 55.11 C ATOM 1406 O LEU A 91 -9.757 -0.755 1.003 1.00 52.13 O ATOM 1407 CB LEU A 91 -9.241 -3.918 1.948 1.00 24.44 C ATOM 1408 CG LEU A 91 -8.514 -4.771 3.038 1.00 72.11 C ATOM 1409 CD1 LEU A 91 -7.816 -6.001 2.413 1.00 42.12 C ATOM 1410 CD2 LEU A 91 -7.518 -3.910 3.844 1.00 73.42 C ATOM 0 H LEU A 91 -11.263 -4.048 3.406 1.00 40.32 H new ATOM 0 HA LEU A 91 -9.333 -2.078 3.083 1.00 65.23 H new ATOM 0 HB2 LEU A 91 -9.949 -4.562 1.427 1.00 24.44 H new ATOM 0 HB3 LEU A 91 -8.501 -3.599 1.214 1.00 24.44 H new ATOM 0 HG LEU A 91 -9.270 -5.139 3.731 1.00 72.11 H new ATOM 0 HD11 LEU A 91 -7.319 -6.574 3.196 1.00 42.12 H new ATOM 0 HD12 LEU A 91 -8.558 -6.628 1.919 1.00 42.12 H new ATOM 0 HD13 LEU A 91 -7.078 -5.669 1.683 1.00 42.12 H new ATOM 0 HD21 LEU A 91 -7.027 -4.529 4.595 1.00 73.42 H new ATOM 0 HD22 LEU A 91 -6.769 -3.494 3.170 1.00 73.42 H new ATOM 0 HD23 LEU A 91 -8.054 -3.099 4.337 1.00 73.42 H new ATOM 1422 N THR A 92 -11.551 -2.089 0.609 1.00 15.00 N ATOM 1423 CA THR A 92 -12.060 -1.313 -0.540 1.00 14.35 C ATOM 1424 C THR A 92 -12.519 0.096 -0.092 1.00 12.32 C ATOM 1425 O THR A 92 -12.226 1.095 -0.775 1.00 11.01 O ATOM 1426 CB THR A 92 -13.218 -2.063 -1.290 1.00 21.10 C ATOM 1427 OG1 THR A 92 -12.805 -3.402 -1.620 1.00 71.54 O ATOM 1428 CG2 THR A 92 -13.622 -1.347 -2.597 1.00 35.33 C ATOM 0 H THR A 92 -12.129 -2.893 0.855 1.00 15.00 H new ATOM 0 HA THR A 92 -11.236 -1.202 -1.245 1.00 14.35 H new ATOM 0 HB THR A 92 -14.076 -2.076 -0.617 1.00 21.10 H new ATOM 0 HG1 THR A 92 -12.851 -3.965 -0.819 1.00 71.54 H new ATOM 0 HG21 THR A 92 -14.426 -1.901 -3.082 1.00 35.33 H new ATOM 0 HG22 THR A 92 -13.964 -0.338 -2.368 1.00 35.33 H new ATOM 0 HG23 THR A 92 -12.762 -1.296 -3.265 1.00 35.33 H new ATOM 1436 N GLN A 93 -13.218 0.187 1.072 1.00 1.41 N ATOM 1437 CA GLN A 93 -13.668 1.491 1.595 1.00 52.41 C ATOM 1438 C GLN A 93 -12.511 2.294 2.221 1.00 3.21 C ATOM 1439 O GLN A 93 -12.602 3.511 2.317 1.00 24.11 O ATOM 1440 CB GLN A 93 -14.914 1.372 2.542 1.00 40.03 C ATOM 1441 CG GLN A 93 -14.765 0.598 3.876 1.00 5.44 C ATOM 1442 CD GLN A 93 -13.969 1.307 4.982 1.00 62.31 C ATOM 1443 OE1 GLN A 93 -13.314 0.664 5.802 1.00 50.52 O ATOM 1444 NE2 GLN A 93 -14.039 2.628 5.043 1.00 21.23 N ATOM 0 H GLN A 93 -13.474 -0.613 1.650 1.00 1.41 H new ATOM 0 HA GLN A 93 -14.012 2.067 0.736 1.00 52.41 H new ATOM 0 HB2 GLN A 93 -15.244 2.383 2.782 1.00 40.03 H new ATOM 0 HB3 GLN A 93 -15.716 0.901 1.974 1.00 40.03 H new ATOM 0 HG2 GLN A 93 -15.762 0.377 4.258 1.00 5.44 H new ATOM 0 HG3 GLN A 93 -14.285 -0.358 3.667 1.00 5.44 H new ATOM 0 HE21 GLN A 93 -14.587 3.142 4.353 1.00 21.23 H new ATOM 0 HE22 GLN A 93 -13.544 3.131 5.779 1.00 21.23 H new ATOM 1453 N ARG A 94 -11.416 1.614 2.613 1.00 53.32 N ATOM 1454 CA ARG A 94 -10.219 2.281 3.170 1.00 21.13 C ATOM 1455 C ARG A 94 -9.436 2.985 2.061 1.00 74.00 C ATOM 1456 O ARG A 94 -8.937 4.092 2.262 1.00 3.12 O ATOM 1457 CB ARG A 94 -9.298 1.269 3.907 1.00 11.05 C ATOM 1458 CG ARG A 94 -9.894 0.675 5.201 1.00 21.31 C ATOM 1459 CD ARG A 94 -10.192 1.723 6.279 1.00 15.31 C ATOM 1460 NE ARG A 94 -10.740 1.103 7.503 1.00 74.43 N ATOM 1461 CZ ARG A 94 -10.347 1.375 8.754 1.00 53.35 C ATOM 1462 NH1 ARG A 94 -9.392 2.278 8.995 1.00 62.03 N ATOM 1463 NH2 ARG A 94 -10.898 0.725 9.766 1.00 15.02 N ATOM 0 H ARG A 94 -11.334 0.599 2.554 1.00 53.32 H new ATOM 0 HA ARG A 94 -10.560 3.021 3.894 1.00 21.13 H new ATOM 0 HB2 ARG A 94 -9.060 0.453 3.225 1.00 11.05 H new ATOM 0 HB3 ARG A 94 -8.358 1.765 4.151 1.00 11.05 H new ATOM 0 HG2 ARG A 94 -10.815 0.146 4.957 1.00 21.31 H new ATOM 0 HG3 ARG A 94 -9.200 -0.062 5.605 1.00 21.31 H new ATOM 0 HD2 ARG A 94 -9.278 2.265 6.523 1.00 15.31 H new ATOM 0 HD3 ARG A 94 -10.902 2.453 5.891 1.00 15.31 H new ATOM 0 HE ARG A 94 -11.479 0.410 7.385 1.00 74.43 H new ATOM 0 HH11 ARG A 94 -8.950 2.772 8.220 1.00 62.03 H new ATOM 0 HH12 ARG A 94 -9.105 2.473 9.954 1.00 62.03 H new ATOM 0 HH21 ARG A 94 -11.616 0.023 9.590 1.00 15.02 H new ATOM 0 HH22 ARG A 94 -10.604 0.926 10.722 1.00 15.02 H new ATOM 1477 N VAL A 95 -9.334 2.321 0.894 1.00 55.13 N ATOM 1478 CA VAL A 95 -8.635 2.867 -0.280 1.00 52.22 C ATOM 1479 C VAL A 95 -9.373 4.106 -0.807 1.00 13.22 C ATOM 1480 O VAL A 95 -8.747 5.132 -1.065 1.00 33.00 O ATOM 1481 CB VAL A 95 -8.482 1.786 -1.420 1.00 61.12 C ATOM 1482 CG1 VAL A 95 -7.819 2.373 -2.691 1.00 45.31 C ATOM 1483 CG2 VAL A 95 -7.689 0.561 -0.914 1.00 70.31 C ATOM 0 H VAL A 95 -9.733 1.395 0.741 1.00 55.13 H new ATOM 0 HA VAL A 95 -7.632 3.158 0.032 1.00 52.22 H new ATOM 0 HB VAL A 95 -9.487 1.464 -1.693 1.00 61.12 H new ATOM 0 HG11 VAL A 95 -7.733 1.595 -3.449 1.00 45.31 H new ATOM 0 HG12 VAL A 95 -8.430 3.189 -3.076 1.00 45.31 H new ATOM 0 HG13 VAL A 95 -6.826 2.749 -2.443 1.00 45.31 H new ATOM 0 HG21 VAL A 95 -7.597 -0.170 -1.717 1.00 70.31 H new ATOM 0 HG22 VAL A 95 -6.696 0.877 -0.595 1.00 70.31 H new ATOM 0 HG23 VAL A 95 -8.214 0.110 -0.072 1.00 70.31 H new ATOM 1493 N ARG A 96 -10.720 4.016 -0.913 1.00 65.42 N ATOM 1494 CA ARG A 96 -11.538 5.127 -1.442 1.00 20.02 C ATOM 1495 C ARG A 96 -11.511 6.336 -0.478 1.00 13.52 C ATOM 1496 O ARG A 96 -11.363 7.477 -0.922 1.00 62.23 O ATOM 1497 CB ARG A 96 -12.997 4.675 -1.766 1.00 71.43 C ATOM 1498 CG ARG A 96 -13.910 4.409 -0.559 1.00 44.34 C ATOM 1499 CD ARG A 96 -15.322 3.928 -0.950 1.00 74.23 C ATOM 1500 NE ARG A 96 -15.306 2.623 -1.645 1.00 61.41 N ATOM 1501 CZ ARG A 96 -15.624 2.417 -2.933 1.00 44.53 C ATOM 1502 NH1 ARG A 96 -15.986 3.427 -3.726 1.00 42.21 N ATOM 1503 NH2 ARG A 96 -15.604 1.186 -3.417 1.00 3.45 N ATOM 0 H ARG A 96 -11.257 3.192 -0.641 1.00 65.42 H new ATOM 0 HA ARG A 96 -11.095 5.444 -2.386 1.00 20.02 H new ATOM 0 HB2 ARG A 96 -13.463 5.441 -2.386 1.00 71.43 H new ATOM 0 HB3 ARG A 96 -12.949 3.766 -2.366 1.00 71.43 H new ATOM 0 HG2 ARG A 96 -13.444 3.660 0.081 1.00 44.34 H new ATOM 0 HG3 ARG A 96 -13.996 5.322 0.030 1.00 44.34 H new ATOM 0 HD2 ARG A 96 -15.937 3.850 -0.053 1.00 74.23 H new ATOM 0 HD3 ARG A 96 -15.790 4.673 -1.594 1.00 74.23 H new ATOM 0 HE ARG A 96 -15.029 1.808 -1.098 1.00 61.41 H new ATOM 0 HH11 ARG A 96 -16.025 4.377 -3.356 1.00 42.21 H new ATOM 0 HH12 ARG A 96 -16.224 3.249 -4.702 1.00 42.21 H new ATOM 0 HH21 ARG A 96 -15.349 0.405 -2.813 1.00 3.45 H new ATOM 0 HH22 ARG A 96 -15.844 1.018 -4.394 1.00 3.45 H new ATOM 1517 N GLU A 97 -11.588 6.062 0.842 1.00 54.41 N ATOM 1518 CA GLU A 97 -11.572 7.111 1.882 1.00 34.54 C ATOM 1519 C GLU A 97 -10.182 7.749 2.017 1.00 62.14 C ATOM 1520 O GLU A 97 -10.083 8.933 2.347 1.00 12.13 O ATOM 1521 CB GLU A 97 -12.058 6.547 3.249 1.00 13.53 C ATOM 1522 CG GLU A 97 -13.581 6.298 3.327 1.00 61.44 C ATOM 1523 CD GLU A 97 -14.405 7.583 3.118 1.00 13.34 C ATOM 1524 OE1 GLU A 97 -14.453 8.419 4.050 1.00 71.21 O ATOM 1525 OE2 GLU A 97 -14.995 7.773 2.032 1.00 2.52 O ATOM 0 H GLU A 97 -11.662 5.115 1.214 1.00 54.41 H new ATOM 0 HA GLU A 97 -12.265 7.893 1.570 1.00 34.54 H new ATOM 0 HB2 GLU A 97 -11.538 5.610 3.448 1.00 13.53 H new ATOM 0 HB3 GLU A 97 -11.774 7.243 4.038 1.00 13.53 H new ATOM 0 HG2 GLU A 97 -13.864 5.563 2.573 1.00 61.44 H new ATOM 0 HG3 GLU A 97 -13.826 5.868 4.298 1.00 61.44 H new ATOM 1532 N PHE A 98 -9.115 6.964 1.756 1.00 25.43 N ATOM 1533 CA PHE A 98 -7.731 7.466 1.813 1.00 73.34 C ATOM 1534 C PHE A 98 -7.458 8.394 0.619 1.00 51.44 C ATOM 1535 O PHE A 98 -7.013 9.523 0.798 1.00 12.51 O ATOM 1536 CB PHE A 98 -6.691 6.310 1.836 1.00 63.24 C ATOM 1537 CG PHE A 98 -5.251 6.813 1.972 1.00 41.13 C ATOM 1538 CD1 PHE A 98 -4.742 7.167 3.224 1.00 3.21 C ATOM 1539 CD2 PHE A 98 -4.426 6.979 0.851 1.00 52.30 C ATOM 1540 CE1 PHE A 98 -3.465 7.666 3.347 1.00 21.22 C ATOM 1541 CE2 PHE A 98 -3.146 7.474 0.986 1.00 71.30 C ATOM 1542 CZ PHE A 98 -2.671 7.820 2.230 1.00 0.12 C ATOM 0 H PHE A 98 -9.189 5.979 1.504 1.00 25.43 H new ATOM 0 HA PHE A 98 -7.623 8.024 2.743 1.00 73.34 H new ATOM 0 HB2 PHE A 98 -6.917 5.640 2.665 1.00 63.24 H new ATOM 0 HB3 PHE A 98 -6.783 5.726 0.920 1.00 63.24 H new ATOM 0 HD1 PHE A 98 -5.357 7.048 4.104 1.00 3.21 H new ATOM 0 HD2 PHE A 98 -4.797 6.716 -0.129 1.00 52.30 H new ATOM 0 HE1 PHE A 98 -3.084 7.938 4.320 1.00 21.22 H new ATOM 0 HE2 PHE A 98 -2.517 7.590 0.116 1.00 71.30 H new ATOM 0 HZ PHE A 98 -1.671 8.214 2.332 1.00 0.12 H new ATOM 1552 N LEU A 99 -7.736 7.889 -0.598 1.00 13.33 N ATOM 1553 CA LEU A 99 -7.532 8.643 -1.852 1.00 74.35 C ATOM 1554 C LEU A 99 -8.420 9.901 -1.899 1.00 52.41 C ATOM 1555 O LEU A 99 -8.115 10.850 -2.622 1.00 53.21 O ATOM 1556 CB LEU A 99 -7.801 7.732 -3.084 1.00 33.41 C ATOM 1557 CG LEU A 99 -6.855 6.496 -3.243 1.00 73.11 C ATOM 1558 CD1 LEU A 99 -7.259 5.636 -4.460 1.00 50.35 C ATOM 1559 CD2 LEU A 99 -5.370 6.928 -3.311 1.00 74.45 C ATOM 0 H LEU A 99 -8.107 6.950 -0.741 1.00 13.33 H new ATOM 0 HA LEU A 99 -6.493 8.970 -1.883 1.00 74.35 H new ATOM 0 HB2 LEU A 99 -8.829 7.373 -3.028 1.00 33.41 H new ATOM 0 HB3 LEU A 99 -7.725 8.341 -3.985 1.00 33.41 H new ATOM 0 HG LEU A 99 -6.968 5.874 -2.355 1.00 73.11 H new ATOM 0 HD11 LEU A 99 -6.583 4.785 -4.544 1.00 50.35 H new ATOM 0 HD12 LEU A 99 -8.280 5.277 -4.329 1.00 50.35 H new ATOM 0 HD13 LEU A 99 -7.199 6.238 -5.367 1.00 50.35 H new ATOM 0 HD21 LEU A 99 -4.739 6.046 -3.421 1.00 74.45 H new ATOM 0 HD22 LEU A 99 -5.222 7.589 -4.165 1.00 74.45 H new ATOM 0 HD23 LEU A 99 -5.102 7.454 -2.395 1.00 74.45 H new ATOM 1571 N LYS A 100 -9.528 9.873 -1.139 1.00 21.22 N ATOM 1572 CA LYS A 100 -10.418 11.026 -0.965 1.00 44.20 C ATOM 1573 C LYS A 100 -9.789 12.091 -0.031 1.00 32.34 C ATOM 1574 O LYS A 100 -9.657 13.254 -0.425 1.00 24.34 O ATOM 1575 CB LYS A 100 -11.797 10.549 -0.430 1.00 61.13 C ATOM 1576 CG LYS A 100 -12.819 11.674 -0.187 1.00 62.23 C ATOM 1577 CD LYS A 100 -14.248 11.149 0.072 1.00 72.31 C ATOM 1578 CE LYS A 100 -15.216 12.282 0.453 1.00 21.30 C ATOM 1579 NZ LYS A 100 -14.872 12.879 1.774 1.00 11.15 N ATOM 0 H LYS A 100 -9.830 9.044 -0.627 1.00 21.22 H new ATOM 0 HA LYS A 100 -10.565 11.501 -1.935 1.00 44.20 H new ATOM 0 HB2 LYS A 100 -12.221 9.839 -1.140 1.00 61.13 H new ATOM 0 HB3 LYS A 100 -11.642 10.010 0.505 1.00 61.13 H new ATOM 0 HG2 LYS A 100 -12.497 12.271 0.667 1.00 62.23 H new ATOM 0 HG3 LYS A 100 -12.833 12.337 -1.052 1.00 62.23 H new ATOM 0 HD2 LYS A 100 -14.616 10.642 -0.820 1.00 72.31 H new ATOM 0 HD3 LYS A 100 -14.223 10.409 0.872 1.00 72.31 H new ATOM 0 HE2 LYS A 100 -15.190 13.056 -0.314 1.00 21.30 H new ATOM 0 HE3 LYS A 100 -16.235 11.896 0.482 1.00 21.30 H new ATOM 0 HZ1 LYS A 100 -15.651 13.490 2.092 1.00 11.15 H new ATOM 0 HZ2 LYS A 100 -14.721 12.120 2.469 1.00 11.15 H new ATOM 0 HZ3 LYS A 100 -14.003 13.444 1.684 1.00 11.15 H new ATOM 1593 N THR A 101 -9.371 11.676 1.192 1.00 32.12 N ATOM 1594 CA THR A 101 -8.925 12.620 2.249 1.00 34.31 C ATOM 1595 C THR A 101 -7.470 13.114 2.014 1.00 70.04 C ATOM 1596 O THR A 101 -7.184 14.312 2.136 1.00 60.34 O ATOM 1597 CB THR A 101 -9.090 12.007 3.693 1.00 33.41 C ATOM 1598 OG1 THR A 101 -8.853 13.016 4.685 1.00 3.23 O ATOM 1599 CG2 THR A 101 -8.160 10.805 3.965 1.00 21.05 C ATOM 0 H THR A 101 -9.334 10.695 1.470 1.00 32.12 H new ATOM 0 HA THR A 101 -9.579 13.490 2.184 1.00 34.31 H new ATOM 0 HB THR A 101 -10.114 11.639 3.749 1.00 33.41 H new ATOM 0 HG1 THR A 101 -8.959 12.628 5.578 1.00 3.23 H new ATOM 0 HG21 THR A 101 -8.329 10.436 4.977 1.00 21.05 H new ATOM 0 HG22 THR A 101 -8.372 10.011 3.249 1.00 21.05 H new ATOM 0 HG23 THR A 101 -7.121 11.118 3.862 1.00 21.05 H new ATOM 1607 N ALA A 102 -6.557 12.183 1.679 1.00 72.42 N ATOM 1608 CA ALA A 102 -5.151 12.506 1.345 1.00 54.43 C ATOM 1609 C ALA A 102 -5.055 13.086 -0.080 1.00 51.33 C ATOM 1610 O ALA A 102 -4.066 13.745 -0.429 1.00 61.31 O ATOM 1611 CB ALA A 102 -4.266 11.254 1.498 1.00 34.34 C ATOM 0 H ALA A 102 -6.770 11.187 1.631 1.00 72.42 H new ATOM 0 HA ALA A 102 -4.789 13.264 2.039 1.00 54.43 H new ATOM 0 HB1 ALA A 102 -3.235 11.505 1.250 1.00 34.34 H new ATOM 0 HB2 ALA A 102 -4.315 10.897 2.527 1.00 34.34 H new ATOM 0 HB3 ALA A 102 -4.621 10.473 0.826 1.00 34.34 H new