USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 408 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 VAL N :NH3+ 147:sc= -0.114 (180deg=-0.167) USER MOD Single : A 5 TYR OH : rot -54:sc= 0.804 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 ASN : amide:sc= 1.01 K(o=1,f=-0.66) USER MOD Single : A 12 CYS SG : rot 40:sc= 0.425 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0.113 USER MOD Single : A 21 SER OG : rot 180:sc= 0.086 USER MOD Single : A 25 THR OG1 : rot 93:sc= 1.14 USER MOD Single : A 28 LYS NZ :NH3+ 171:sc=-0.00411 (180deg=-0.0813) USER MOD Single : A 30 LYS NZ :NH3+ -170:sc=-0.00755 (180deg=-0.119) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0777 USER MOD Single : A 34 SER OG : rot -3:sc= 1.16 USER MOD Single : A 36 HIS : no HD1:sc= -0.681 X(o=-0.68,f=-0.32) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 HIS :FLIP no HD1:sc= -0.453 F(o=-1.6!,f=-0.45) USER MOD Single : A 50 ASN : amide:sc= 0.907 K(o=0.91,f=-4.2!) USER MOD Single : A 55 ASN : amide:sc= -0.128 X(o=-0.13,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 8.259 10.986 6.407 1.00 0.00 N ATOM 2 CA VAL A 1 7.753 9.948 5.477 1.00 0.00 C ATOM 3 C VAL A 1 6.781 9.035 6.165 1.00 0.00 C ATOM 4 O VAL A 1 6.698 8.962 7.390 1.00 0.00 O ATOM 5 CB VAL A 1 8.882 9.125 4.855 1.00 0.00 C ATOM 6 CG1 VAL A 1 9.565 9.986 3.777 1.00 0.00 C ATOM 7 CG2 VAL A 1 9.871 8.583 5.913 1.00 0.00 C ATOM 0 H1 VAL A 1 9.242 11.221 6.163 1.00 0.00 H new ATOM 0 H2 VAL A 1 7.669 11.839 6.329 1.00 0.00 H new ATOM 0 H3 VAL A 1 8.221 10.627 7.382 1.00 0.00 H new ATOM 0 HA VAL A 1 7.242 10.477 4.673 1.00 0.00 H new ATOM 0 HB VAL A 1 8.469 8.231 4.387 1.00 0.00 H new ATOM 0 HG11 VAL A 1 10.375 9.419 3.318 1.00 0.00 H new ATOM 0 HG12 VAL A 1 8.836 10.260 3.014 1.00 0.00 H new ATOM 0 HG13 VAL A 1 9.968 10.890 4.234 1.00 0.00 H new ATOM 0 HG21 VAL A 1 10.653 8.006 5.419 1.00 0.00 H new ATOM 0 HG22 VAL A 1 10.321 9.417 6.451 1.00 0.00 H new ATOM 0 HG23 VAL A 1 9.337 7.943 6.616 1.00 0.00 H new ATOM 19 N ARG A 2 5.999 8.304 5.350 1.00 0.00 N ATOM 20 CA ARG A 2 4.892 7.515 5.805 1.00 0.00 C ATOM 21 C ARG A 2 5.386 6.107 5.944 1.00 0.00 C ATOM 22 O ARG A 2 6.284 5.690 5.209 1.00 0.00 O ATOM 23 CB ARG A 2 3.744 7.517 4.767 1.00 0.00 C ATOM 24 CG ARG A 2 3.351 8.932 4.303 1.00 0.00 C ATOM 25 CD ARG A 2 2.617 8.951 2.951 1.00 0.00 C ATOM 26 NE ARG A 2 1.163 8.603 3.128 1.00 0.00 N ATOM 27 CZ ARG A 2 0.209 9.536 3.440 1.00 0.00 C ATOM 28 NH1 ARG A 2 0.530 10.851 3.603 1.00 0.00 N ATOM 29 NH2 ARG A 2 -1.091 9.148 3.593 1.00 0.00 N ATOM 0 H ARG A 2 6.140 8.259 4.341 1.00 0.00 H new ATOM 0 HA ARG A 2 4.515 7.921 6.743 1.00 0.00 H new ATOM 0 HB2 ARG A 2 4.044 6.928 3.901 1.00 0.00 H new ATOM 0 HB3 ARG A 2 2.871 7.027 5.199 1.00 0.00 H new ATOM 0 HG2 ARG A 2 2.715 9.391 5.060 1.00 0.00 H new ATOM 0 HG3 ARG A 2 4.250 9.544 4.229 1.00 0.00 H new ATOM 0 HD2 ARG A 2 2.707 9.938 2.497 1.00 0.00 H new ATOM 0 HD3 ARG A 2 3.085 8.242 2.268 1.00 0.00 H new ATOM 0 HE ARG A 2 0.876 7.631 3.011 1.00 0.00 H new ATOM 0 HH11 ARG A 2 1.497 11.157 3.493 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -0.196 11.528 3.835 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -1.348 8.168 3.475 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -1.805 9.838 3.825 1.00 0.00 H new ATOM 43 N ASP A 3 4.786 5.324 6.864 1.00 0.00 N ATOM 44 CA ASP A 3 4.947 3.898 6.875 1.00 0.00 C ATOM 45 C ASP A 3 3.503 3.564 6.975 1.00 0.00 C ATOM 46 O ASP A 3 2.824 4.132 7.832 1.00 0.00 O ATOM 47 CB ASP A 3 5.672 3.288 8.106 1.00 0.00 C ATOM 48 CG ASP A 3 7.065 3.891 8.280 1.00 0.00 C ATOM 49 OD1 ASP A 3 7.869 3.818 7.314 1.00 0.00 O ATOM 50 OD2 ASP A 3 7.351 4.419 9.387 1.00 0.00 O ATOM 0 H ASP A 3 4.185 5.682 7.606 1.00 0.00 H new ATOM 0 HA ASP A 3 5.549 3.531 6.044 1.00 0.00 H new ATOM 0 HB2 ASP A 3 5.081 3.465 9.005 1.00 0.00 H new ATOM 0 HB3 ASP A 3 5.753 2.208 7.986 1.00 0.00 H new ATOM 55 N GLY A 4 2.964 2.742 6.061 1.00 0.00 N ATOM 56 CA GLY A 4 1.596 2.358 6.176 1.00 0.00 C ATOM 57 C GLY A 4 1.510 1.159 5.318 1.00 0.00 C ATOM 58 O GLY A 4 2.499 0.771 4.693 1.00 0.00 O ATOM 0 H GLY A 4 3.461 2.351 5.261 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.326 2.135 7.208 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.926 3.147 5.834 1.00 0.00 H new ATOM 62 N TYR A 5 0.293 0.599 5.209 1.00 0.00 N ATOM 63 CA TYR A 5 -0.036 -0.411 4.242 1.00 0.00 C ATOM 64 C TYR A 5 -0.198 0.328 2.939 1.00 0.00 C ATOM 65 O TYR A 5 -0.821 1.383 2.944 1.00 0.00 O ATOM 66 CB TYR A 5 -1.383 -1.057 4.599 1.00 0.00 C ATOM 67 CG TYR A 5 -1.289 -1.904 5.821 1.00 0.00 C ATOM 68 CD1 TYR A 5 -0.847 -3.230 5.718 1.00 0.00 C ATOM 69 CD2 TYR A 5 -1.689 -1.404 7.075 1.00 0.00 C ATOM 70 CE1 TYR A 5 -0.835 -4.051 6.847 1.00 0.00 C ATOM 71 CE2 TYR A 5 -1.695 -2.235 8.201 1.00 0.00 C ATOM 72 CZ TYR A 5 -1.301 -3.572 8.074 1.00 0.00 C ATOM 73 OH TYR A 5 -1.478 -4.488 9.127 1.00 0.00 O ATOM 0 H TYR A 5 -0.490 0.854 5.811 1.00 0.00 H new ATOM 0 HA TYR A 5 0.725 -1.190 4.201 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -2.129 -0.278 4.755 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -1.727 -1.665 3.762 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.516 -3.617 4.765 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.993 -0.372 7.169 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.463 -5.062 6.772 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.002 -1.847 9.161 1.00 0.00 H new ATOM 0 HH TYR A 5 -2.059 -5.219 8.830 1.00 0.00 H new ATOM 83 N ILE A 6 0.389 -0.141 1.814 1.00 0.00 N ATOM 84 CA ILE A 6 0.275 0.550 0.543 1.00 0.00 C ATOM 85 C ILE A 6 -0.928 0.000 -0.194 1.00 0.00 C ATOM 86 O ILE A 6 -1.294 -1.181 -0.064 1.00 0.00 O ATOM 87 CB ILE A 6 1.571 0.625 -0.286 1.00 0.00 C ATOM 88 CG1 ILE A 6 1.478 1.618 -1.478 1.00 0.00 C ATOM 89 CG2 ILE A 6 2.006 -0.777 -0.732 1.00 0.00 C ATOM 90 CD1 ILE A 6 2.782 1.853 -2.244 1.00 0.00 C ATOM 0 H ILE A 6 0.943 -0.997 1.778 1.00 0.00 H new ATOM 0 HA ILE A 6 0.107 1.608 0.743 1.00 0.00 H new ATOM 0 HB ILE A 6 2.345 1.031 0.365 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.728 1.249 -2.177 1.00 0.00 H new ATOM 0 HG13 ILE A 6 1.120 2.577 -1.102 1.00 0.00 H new ATOM 0 HG21 ILE A 6 2.923 -0.705 -1.316 1.00 0.00 H new ATOM 0 HG22 ILE A 6 2.183 -1.399 0.145 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.221 -1.225 -1.342 1.00 0.00 H new ATOM 0 HD11 ILE A 6 2.606 2.561 -3.054 1.00 0.00 H new ATOM 0 HD12 ILE A 6 3.534 2.257 -1.566 1.00 0.00 H new ATOM 0 HD13 ILE A 6 3.136 0.909 -2.658 1.00 0.00 H new ATOM 102 N ALA A 7 -1.552 0.917 -0.966 1.00 0.00 N ATOM 103 CA ALA A 7 -2.729 0.739 -1.751 1.00 0.00 C ATOM 104 C ALA A 7 -2.463 1.369 -3.081 1.00 0.00 C ATOM 105 O ALA A 7 -1.320 1.486 -3.515 1.00 0.00 O ATOM 106 CB ALA A 7 -3.924 1.503 -1.155 1.00 0.00 C ATOM 0 H ALA A 7 -1.192 1.868 -1.042 1.00 0.00 H new ATOM 0 HA ALA A 7 -2.960 -0.325 -1.801 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.804 1.345 -1.778 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.123 1.138 -0.147 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -3.693 2.567 -1.117 1.00 0.00 H new ATOM 112 N GLN A 8 -3.555 1.848 -3.711 1.00 0.00 N ATOM 113 CA GLN A 8 -3.603 2.782 -4.787 1.00 0.00 C ATOM 114 C GLN A 8 -4.538 3.728 -4.086 1.00 0.00 C ATOM 115 O GLN A 8 -5.347 3.214 -3.308 1.00 0.00 O ATOM 116 CB GLN A 8 -4.266 2.205 -6.058 1.00 0.00 C ATOM 117 CG GLN A 8 -3.462 1.023 -6.623 1.00 0.00 C ATOM 118 CD GLN A 8 -4.186 0.425 -7.830 1.00 0.00 C ATOM 119 OE1 GLN A 8 -4.179 0.997 -8.925 1.00 0.00 O ATOM 120 NE2 GLN A 8 -4.812 -0.772 -7.625 1.00 0.00 N ATOM 0 H GLN A 8 -4.490 1.548 -3.435 1.00 0.00 H new ATOM 0 HA GLN A 8 -2.650 3.156 -5.160 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -5.280 1.879 -5.825 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -4.348 2.986 -6.814 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -2.466 1.357 -6.915 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -3.330 0.262 -5.854 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.791 -1.207 -6.703 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -5.300 -1.231 -8.394 1.00 0.00 H new ATOM 129 N PRO A 9 -4.475 5.040 -4.223 1.00 0.00 N ATOM 130 CA PRO A 9 -4.740 5.927 -3.097 1.00 0.00 C ATOM 131 C PRO A 9 -6.207 6.129 -2.851 1.00 0.00 C ATOM 132 O PRO A 9 -6.562 6.833 -1.906 1.00 0.00 O ATOM 133 CB PRO A 9 -4.082 7.260 -3.500 1.00 0.00 C ATOM 134 CG PRO A 9 -3.947 7.197 -5.026 1.00 0.00 C ATOM 135 CD PRO A 9 -3.726 5.709 -5.285 1.00 0.00 C ATOM 0 HA PRO A 9 -4.348 5.510 -2.170 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -4.693 8.109 -3.194 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.109 7.379 -3.023 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -4.842 7.566 -5.527 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -3.111 7.798 -5.383 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -4.089 5.419 -6.271 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -2.667 5.452 -5.247 1.00 0.00 H new ATOM 143 N GLU A 10 -7.094 5.534 -3.673 1.00 0.00 N ATOM 144 CA GLU A 10 -8.497 5.846 -3.723 1.00 0.00 C ATOM 145 C GLU A 10 -9.238 5.037 -2.693 1.00 0.00 C ATOM 146 O GLU A 10 -10.291 4.466 -2.976 1.00 0.00 O ATOM 147 CB GLU A 10 -9.071 5.534 -5.125 1.00 0.00 C ATOM 148 CG GLU A 10 -8.336 6.251 -6.275 1.00 0.00 C ATOM 149 CD GLU A 10 -8.433 7.765 -6.098 1.00 0.00 C ATOM 150 OE1 GLU A 10 -9.573 8.299 -6.157 1.00 0.00 O ATOM 151 OE2 GLU A 10 -7.367 8.408 -5.898 1.00 0.00 O ATOM 0 H GLU A 10 -6.824 4.804 -4.332 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.622 6.909 -3.515 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -9.027 4.458 -5.294 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.123 5.817 -5.147 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.290 5.946 -6.294 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -8.770 5.960 -7.232 1.00 0.00 H new ATOM 158 N ASN A 11 -8.691 5.011 -1.452 1.00 0.00 N ATOM 159 CA ASN A 11 -9.240 4.353 -0.287 1.00 0.00 C ATOM 160 C ASN A 11 -9.225 2.865 -0.553 1.00 0.00 C ATOM 161 O ASN A 11 -10.214 2.171 -0.338 1.00 0.00 O ATOM 162 CB ASN A 11 -10.659 4.909 0.083 1.00 0.00 C ATOM 163 CG ASN A 11 -11.179 4.577 1.493 1.00 0.00 C ATOM 164 OD1 ASN A 11 -11.499 5.479 2.280 1.00 0.00 O ATOM 165 ND2 ASN A 11 -11.313 3.266 1.811 1.00 0.00 N ATOM 0 H ASN A 11 -7.808 5.480 -1.249 1.00 0.00 H new ATOM 0 HA ASN A 11 -8.632 4.559 0.593 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -10.640 5.993 -0.027 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.376 4.527 -0.644 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -11.687 2.998 2.721 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -11.040 2.548 1.140 1.00 0.00 H new ATOM 172 N CYS A 12 -8.103 2.328 -1.072 1.00 0.00 N ATOM 173 CA CYS A 12 -8.091 0.960 -1.554 1.00 0.00 C ATOM 174 C CYS A 12 -7.031 0.247 -0.795 1.00 0.00 C ATOM 175 O CYS A 12 -6.589 0.730 0.243 1.00 0.00 O ATOM 176 CB CYS A 12 -7.854 0.848 -3.080 1.00 0.00 C ATOM 177 SG CYS A 12 -9.240 1.554 -4.011 1.00 0.00 S ATOM 0 H CYS A 12 -7.215 2.822 -1.161 1.00 0.00 H new ATOM 0 HA CYS A 12 -9.072 0.513 -1.391 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -6.932 1.365 -3.347 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.723 -0.199 -3.355 1.00 0.00 H new ATOM 0 HG CYS A 12 -9.646 2.642 -3.427 1.00 0.00 H new ATOM 182 N VAL A 13 -6.587 -0.917 -1.299 1.00 0.00 N ATOM 183 CA VAL A 13 -5.491 -1.673 -0.799 1.00 0.00 C ATOM 184 C VAL A 13 -4.951 -2.105 -2.125 1.00 0.00 C ATOM 185 O VAL A 13 -5.617 -1.924 -3.148 1.00 0.00 O ATOM 186 CB VAL A 13 -5.853 -2.895 0.045 1.00 0.00 C ATOM 187 CG1 VAL A 13 -6.081 -2.476 1.509 1.00 0.00 C ATOM 188 CG2 VAL A 13 -7.081 -3.631 -0.528 1.00 0.00 C ATOM 0 H VAL A 13 -7.026 -1.355 -2.109 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.847 -1.119 -0.116 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.019 -3.596 0.013 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.338 -3.353 2.103 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.171 -2.025 1.904 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.895 -1.753 1.558 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.311 -4.495 0.096 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.936 -2.955 -0.542 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.865 -3.964 -1.543 1.00 0.00 H new ATOM 198 N TYR A 14 -3.746 -2.707 -2.118 1.00 0.00 N ATOM 199 CA TYR A 14 -3.221 -3.485 -3.213 1.00 0.00 C ATOM 200 C TYR A 14 -3.542 -4.879 -2.762 1.00 0.00 C ATOM 201 O TYR A 14 -4.346 -5.061 -1.857 1.00 0.00 O ATOM 202 CB TYR A 14 -1.683 -3.292 -3.401 1.00 0.00 C ATOM 203 CG TYR A 14 -1.363 -2.457 -4.615 1.00 0.00 C ATOM 204 CD1 TYR A 14 -1.871 -2.801 -5.883 1.00 0.00 C ATOM 205 CD2 TYR A 14 -0.490 -1.359 -4.517 1.00 0.00 C ATOM 206 CE1 TYR A 14 -1.534 -2.054 -7.019 1.00 0.00 C ATOM 207 CE2 TYR A 14 -0.149 -0.611 -5.651 1.00 0.00 C ATOM 208 CZ TYR A 14 -0.675 -0.953 -6.902 1.00 0.00 C ATOM 209 OH TYR A 14 -0.320 -0.184 -8.032 1.00 0.00 O ATOM 0 H TYR A 14 -3.110 -2.653 -1.323 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.640 -3.211 -4.181 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.266 -2.816 -2.513 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.204 -4.267 -3.495 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -2.529 -3.652 -5.981 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.078 -1.089 -3.556 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.936 -2.326 -7.984 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.521 0.231 -5.560 1.00 0.00 H new ATOM 0 HH TYR A 14 0.282 0.539 -7.759 1.00 0.00 H new ATOM 219 N HIS A 15 -2.932 -5.913 -3.352 1.00 0.00 N ATOM 220 CA HIS A 15 -2.979 -7.228 -2.797 1.00 0.00 C ATOM 221 C HIS A 15 -1.567 -7.571 -3.086 1.00 0.00 C ATOM 222 O HIS A 15 -0.932 -6.868 -3.879 1.00 0.00 O ATOM 223 CB HIS A 15 -3.962 -8.207 -3.473 1.00 0.00 C ATOM 224 CG HIS A 15 -5.390 -7.882 -3.117 1.00 0.00 C ATOM 225 ND1 HIS A 15 -6.113 -6.900 -3.740 1.00 0.00 N ATOM 226 CD2 HIS A 15 -6.149 -8.347 -2.097 1.00 0.00 C ATOM 227 CE1 HIS A 15 -7.274 -6.774 -3.114 1.00 0.00 C ATOM 228 NE2 HIS A 15 -7.324 -7.643 -2.114 1.00 0.00 N ATOM 0 H HIS A 15 -2.401 -5.841 -4.220 1.00 0.00 H new ATOM 0 HA HIS A 15 -3.331 -7.283 -1.767 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -3.836 -8.163 -4.555 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -3.732 -9.227 -3.166 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -5.879 -9.127 -1.400 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -8.055 -6.075 -3.376 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -8.104 -7.766 -1.468 1.00 0.00 H new ATOM 237 N CYS A 16 -1.031 -8.606 -2.427 1.00 0.00 N ATOM 238 CA CYS A 16 0.375 -8.881 -2.414 1.00 0.00 C ATOM 239 C CYS A 16 0.422 -10.261 -2.939 1.00 0.00 C ATOM 240 O CYS A 16 -0.596 -10.953 -2.932 1.00 0.00 O ATOM 241 CB CYS A 16 0.965 -8.896 -0.976 1.00 0.00 C ATOM 242 SG CYS A 16 2.776 -8.736 -0.893 1.00 0.00 S ATOM 0 H CYS A 16 -1.584 -9.272 -1.888 1.00 0.00 H new ATOM 0 HA CYS A 16 0.941 -8.134 -2.971 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.516 -8.083 -0.406 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.674 -9.826 -0.488 1.00 0.00 H new ATOM 247 N PHE A 17 1.612 -10.711 -3.357 1.00 0.00 N ATOM 248 CA PHE A 17 1.876 -12.084 -3.633 1.00 0.00 C ATOM 249 C PHE A 17 2.835 -12.325 -2.506 1.00 0.00 C ATOM 250 O PHE A 17 3.792 -11.555 -2.481 1.00 0.00 O ATOM 251 CB PHE A 17 2.614 -12.275 -4.985 1.00 0.00 C ATOM 252 CG PHE A 17 1.839 -11.700 -6.152 1.00 0.00 C ATOM 253 CD1 PHE A 17 0.436 -11.804 -6.263 1.00 0.00 C ATOM 254 CD2 PHE A 17 2.539 -11.021 -7.168 1.00 0.00 C ATOM 255 CE1 PHE A 17 -0.242 -11.234 -7.348 1.00 0.00 C ATOM 256 CE2 PHE A 17 1.863 -10.452 -8.253 1.00 0.00 C ATOM 257 CZ PHE A 17 0.472 -10.557 -8.342 1.00 0.00 C ATOM 0 H PHE A 17 2.416 -10.102 -3.508 1.00 0.00 H new ATOM 0 HA PHE A 17 0.998 -12.726 -3.703 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.593 -11.798 -4.932 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.786 -13.338 -5.155 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.122 -12.330 -5.502 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.614 -10.938 -7.109 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.317 -11.317 -7.417 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.416 -9.932 -9.021 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.051 -10.116 -9.178 1.00 0.00 H new ATOM 267 N PRO A 18 2.656 -13.253 -1.564 1.00 0.00 N ATOM 268 CA PRO A 18 3.477 -13.324 -0.361 1.00 0.00 C ATOM 269 C PRO A 18 4.973 -13.441 -0.554 1.00 0.00 C ATOM 270 O PRO A 18 5.481 -14.548 -0.725 1.00 0.00 O ATOM 271 CB PRO A 18 2.913 -14.554 0.354 1.00 0.00 C ATOM 272 CG PRO A 18 1.404 -14.443 0.110 1.00 0.00 C ATOM 273 CD PRO A 18 1.310 -13.762 -1.263 1.00 0.00 C ATOM 0 HA PRO A 18 3.412 -12.384 0.187 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.320 -15.479 -0.055 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.150 -14.545 1.418 1.00 0.00 H new ATOM 0 HG2 PRO A 18 0.925 -15.422 0.106 1.00 0.00 H new ATOM 0 HG3 PRO A 18 0.915 -13.853 0.885 1.00 0.00 H new ATOM 0 HD2 PRO A 18 0.982 -14.468 -2.026 1.00 0.00 H new ATOM 0 HD3 PRO A 18 0.582 -12.951 -1.246 1.00 0.00 H new ATOM 281 N GLY A 19 5.703 -12.313 -0.495 1.00 0.00 N ATOM 282 CA GLY A 19 7.109 -12.275 -0.671 1.00 0.00 C ATOM 283 C GLY A 19 7.233 -10.824 -0.945 1.00 0.00 C ATOM 284 O GLY A 19 6.315 -10.062 -0.634 1.00 0.00 O ATOM 0 H GLY A 19 5.292 -11.396 -0.318 1.00 0.00 H new ATOM 0 HA2 GLY A 19 7.659 -12.591 0.216 1.00 0.00 H new ATOM 0 HA3 GLY A 19 7.453 -12.897 -1.498 1.00 0.00 H new ATOM 288 N SER A 20 8.354 -10.407 -1.550 1.00 0.00 N ATOM 289 CA SER A 20 8.583 -9.057 -1.948 1.00 0.00 C ATOM 290 C SER A 20 7.962 -8.844 -3.307 1.00 0.00 C ATOM 291 O SER A 20 7.288 -7.838 -3.532 1.00 0.00 O ATOM 292 CB SER A 20 10.115 -8.817 -2.001 1.00 0.00 C ATOM 293 OG SER A 20 10.806 -10.028 -2.321 1.00 0.00 O ATOM 0 H SER A 20 9.130 -11.032 -1.770 1.00 0.00 H new ATOM 0 HA SER A 20 8.136 -8.356 -1.243 1.00 0.00 H new ATOM 0 HB2 SER A 20 10.343 -8.055 -2.746 1.00 0.00 H new ATOM 0 HB3 SER A 20 10.462 -8.438 -1.040 1.00 0.00 H new ATOM 0 HG SER A 20 11.770 -9.856 -2.351 1.00 0.00 H new ATOM 299 N SER A 21 8.186 -9.801 -4.240 1.00 0.00 N ATOM 300 CA SER A 21 8.350 -9.590 -5.657 1.00 0.00 C ATOM 301 C SER A 21 7.466 -8.557 -6.311 1.00 0.00 C ATOM 302 O SER A 21 7.971 -7.615 -6.919 1.00 0.00 O ATOM 303 CB SER A 21 8.210 -10.938 -6.402 1.00 0.00 C ATOM 304 OG SER A 21 8.857 -11.967 -5.653 1.00 0.00 O ATOM 0 H SER A 21 8.257 -10.787 -3.987 1.00 0.00 H new ATOM 0 HA SER A 21 9.351 -9.168 -5.742 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.157 -11.182 -6.540 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.652 -10.864 -7.395 1.00 0.00 H new ATOM 0 HG SER A 21 8.766 -12.821 -6.125 1.00 0.00 H new ATOM 310 N GLY A 22 6.127 -8.685 -6.190 1.00 0.00 N ATOM 311 CA GLY A 22 5.219 -7.782 -6.860 1.00 0.00 C ATOM 312 C GLY A 22 5.287 -6.395 -6.287 1.00 0.00 C ATOM 313 O GLY A 22 5.838 -5.477 -6.899 1.00 0.00 O ATOM 0 H GLY A 22 5.671 -9.407 -5.633 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.458 -7.748 -7.923 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.201 -8.161 -6.775 1.00 0.00 H new ATOM 317 N CYS A 23 4.706 -6.186 -5.088 1.00 0.00 N ATOM 318 CA CYS A 23 4.484 -4.840 -4.634 1.00 0.00 C ATOM 319 C CYS A 23 5.661 -4.264 -3.910 1.00 0.00 C ATOM 320 O CYS A 23 5.652 -3.067 -3.648 1.00 0.00 O ATOM 321 CB CYS A 23 3.192 -4.646 -3.824 1.00 0.00 C ATOM 322 SG CYS A 23 3.009 -5.825 -2.481 1.00 0.00 S ATOM 0 H CYS A 23 4.398 -6.920 -4.450 1.00 0.00 H new ATOM 0 HA CYS A 23 4.351 -4.275 -5.557 1.00 0.00 H new ATOM 0 HB2 CYS A 23 3.176 -3.636 -3.415 1.00 0.00 H new ATOM 0 HB3 CYS A 23 2.336 -4.733 -4.493 1.00 0.00 H new ATOM 327 N ASP A 24 6.736 -5.049 -3.638 1.00 0.00 N ATOM 328 CA ASP A 24 7.996 -4.462 -3.215 1.00 0.00 C ATOM 329 C ASP A 24 8.597 -3.732 -4.392 1.00 0.00 C ATOM 330 O ASP A 24 9.206 -2.681 -4.231 1.00 0.00 O ATOM 331 CB ASP A 24 9.023 -5.497 -2.686 1.00 0.00 C ATOM 332 CG ASP A 24 10.289 -4.884 -2.067 1.00 0.00 C ATOM 333 OD1 ASP A 24 10.229 -3.729 -1.573 1.00 0.00 O ATOM 334 OD2 ASP A 24 11.340 -5.579 -2.087 1.00 0.00 O ATOM 0 H ASP A 24 6.739 -6.067 -3.707 1.00 0.00 H new ATOM 0 HA ASP A 24 7.776 -3.792 -2.384 1.00 0.00 H new ATOM 0 HB2 ASP A 24 8.536 -6.123 -1.939 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.316 -6.151 -3.507 1.00 0.00 H new ATOM 339 N THR A 25 8.396 -4.235 -5.628 1.00 0.00 N ATOM 340 CA THR A 25 8.890 -3.558 -6.807 1.00 0.00 C ATOM 341 C THR A 25 8.081 -2.292 -7.015 1.00 0.00 C ATOM 342 O THR A 25 8.630 -1.226 -7.297 1.00 0.00 O ATOM 343 CB THR A 25 8.835 -4.440 -8.039 1.00 0.00 C ATOM 344 OG1 THR A 25 9.470 -5.690 -7.775 1.00 0.00 O ATOM 345 CG2 THR A 25 9.578 -3.761 -9.209 1.00 0.00 C ATOM 0 H THR A 25 7.896 -5.104 -5.817 1.00 0.00 H new ATOM 0 HA THR A 25 9.940 -3.310 -6.652 1.00 0.00 H new ATOM 0 HB THR A 25 7.788 -4.598 -8.299 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.801 -6.339 -7.472 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.533 -4.402 -10.089 1.00 0.00 H new ATOM 0 HG22 THR A 25 9.107 -2.804 -9.433 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.619 -3.597 -8.932 1.00 0.00 H new ATOM 353 N LEU A 26 6.742 -2.377 -6.826 1.00 0.00 N ATOM 354 CA LEU A 26 5.850 -1.234 -6.890 1.00 0.00 C ATOM 355 C LEU A 26 6.207 -0.220 -5.837 1.00 0.00 C ATOM 356 O LEU A 26 6.212 0.986 -6.076 1.00 0.00 O ATOM 357 CB LEU A 26 4.366 -1.598 -6.674 1.00 0.00 C ATOM 358 CG LEU A 26 3.769 -2.533 -7.748 1.00 0.00 C ATOM 359 CD1 LEU A 26 2.332 -2.930 -7.368 1.00 0.00 C ATOM 360 CD2 LEU A 26 3.801 -1.893 -9.149 1.00 0.00 C ATOM 0 H LEU A 26 6.264 -3.255 -6.624 1.00 0.00 H new ATOM 0 HA LEU A 26 5.975 -0.836 -7.897 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.261 -2.073 -5.699 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.781 -0.679 -6.646 1.00 0.00 H new ATOM 0 HG LEU A 26 4.388 -3.429 -7.787 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.922 -3.589 -8.133 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.339 -3.448 -6.409 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.715 -2.035 -7.292 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.372 -2.584 -9.875 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.222 -0.970 -9.141 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.832 -1.672 -9.425 1.00 0.00 H new ATOM 372 N CYS A 27 6.550 -0.703 -4.628 1.00 0.00 N ATOM 373 CA CYS A 27 7.024 0.116 -3.542 1.00 0.00 C ATOM 374 C CYS A 27 8.218 0.936 -3.957 1.00 0.00 C ATOM 375 O CYS A 27 8.258 2.133 -3.677 1.00 0.00 O ATOM 376 CB CYS A 27 7.401 -0.703 -2.287 1.00 0.00 C ATOM 377 SG CYS A 27 7.366 0.304 -0.789 1.00 0.00 S ATOM 0 H CYS A 27 6.498 -1.694 -4.394 1.00 0.00 H new ATOM 0 HA CYS A 27 6.190 0.770 -3.286 1.00 0.00 H new ATOM 0 HB2 CYS A 27 6.710 -1.539 -2.178 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.397 -1.127 -2.416 1.00 0.00 H new ATOM 382 N LYS A 28 9.188 0.336 -4.691 1.00 0.00 N ATOM 383 CA LYS A 28 10.377 1.044 -5.135 1.00 0.00 C ATOM 384 C LYS A 28 10.035 2.216 -6.024 1.00 0.00 C ATOM 385 O LYS A 28 10.562 3.311 -5.840 1.00 0.00 O ATOM 386 CB LYS A 28 11.373 0.168 -5.939 1.00 0.00 C ATOM 387 CG LYS A 28 11.980 -0.982 -5.125 1.00 0.00 C ATOM 388 CD LYS A 28 12.842 -1.930 -5.974 1.00 0.00 C ATOM 389 CE LYS A 28 13.322 -3.164 -5.197 1.00 0.00 C ATOM 390 NZ LYS A 28 12.193 -4.067 -4.867 1.00 0.00 N ATOM 0 H LYS A 28 9.153 -0.642 -4.980 1.00 0.00 H new ATOM 0 HA LYS A 28 10.844 1.365 -4.204 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.860 -0.245 -6.808 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.178 0.800 -6.314 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.589 -0.569 -4.321 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.177 -1.551 -4.657 1.00 0.00 H new ATOM 0 HD2 LYS A 28 12.268 -2.255 -6.842 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.708 -1.385 -6.350 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.061 -3.704 -5.789 1.00 0.00 H new ATOM 0 HE3 LYS A 28 13.818 -2.848 -4.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.563 -4.958 -4.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 11.579 -3.612 -4.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 11.644 -4.265 -5.728 1.00 0.00 H new ATOM 404 N GLU A 29 9.136 2.004 -7.015 1.00 0.00 N ATOM 405 CA GLU A 29 8.818 3.025 -7.995 1.00 0.00 C ATOM 406 C GLU A 29 7.902 4.087 -7.433 1.00 0.00 C ATOM 407 O GLU A 29 7.890 5.210 -7.933 1.00 0.00 O ATOM 408 CB GLU A 29 8.216 2.462 -9.308 1.00 0.00 C ATOM 409 CG GLU A 29 6.988 1.564 -9.105 1.00 0.00 C ATOM 410 CD GLU A 29 6.450 1.068 -10.445 1.00 0.00 C ATOM 411 OE1 GLU A 29 7.214 0.381 -11.175 1.00 0.00 O ATOM 412 OE2 GLU A 29 5.265 1.364 -10.753 1.00 0.00 O ATOM 0 H GLU A 29 8.628 1.129 -7.142 1.00 0.00 H new ATOM 0 HA GLU A 29 9.779 3.476 -8.244 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.939 3.295 -9.954 1.00 0.00 H new ATOM 0 HB3 GLU A 29 8.985 1.894 -9.832 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.254 0.713 -8.478 1.00 0.00 H new ATOM 0 HG3 GLU A 29 6.210 2.117 -8.578 1.00 0.00 H new ATOM 419 N LYS A 30 7.122 3.769 -6.372 1.00 0.00 N ATOM 420 CA LYS A 30 6.310 4.749 -5.674 1.00 0.00 C ATOM 421 C LYS A 30 7.175 5.514 -4.711 1.00 0.00 C ATOM 422 O LYS A 30 6.947 6.699 -4.464 1.00 0.00 O ATOM 423 CB LYS A 30 5.124 4.124 -4.903 1.00 0.00 C ATOM 424 CG LYS A 30 4.088 3.456 -5.828 1.00 0.00 C ATOM 425 CD LYS A 30 3.302 4.427 -6.725 1.00 0.00 C ATOM 426 CE LYS A 30 2.333 3.718 -7.683 1.00 0.00 C ATOM 427 NZ LYS A 30 3.059 2.872 -8.662 1.00 0.00 N ATOM 0 H LYS A 30 7.050 2.826 -5.991 1.00 0.00 H new ATOM 0 HA LYS A 30 5.886 5.407 -6.433 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.505 3.384 -4.199 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.632 4.899 -4.315 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.601 2.733 -6.462 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.381 2.897 -5.215 1.00 0.00 H new ATOM 0 HD2 LYS A 30 2.740 5.118 -6.096 1.00 0.00 H new ATOM 0 HD3 LYS A 30 4.005 5.024 -7.306 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.640 3.101 -7.111 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.736 4.460 -8.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 2.398 2.544 -9.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.819 3.427 -9.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 3.470 2.051 -8.174 1.00 0.00 H new ATOM 441 N GLY A 31 8.220 4.848 -4.178 1.00 0.00 N ATOM 442 CA GLY A 31 9.333 5.514 -3.554 1.00 0.00 C ATOM 443 C GLY A 31 9.430 5.143 -2.117 1.00 0.00 C ATOM 444 O GLY A 31 9.804 5.982 -1.304 1.00 0.00 O ATOM 0 H GLY A 31 8.296 3.831 -4.179 1.00 0.00 H new ATOM 0 HA2 GLY A 31 10.257 5.247 -4.067 1.00 0.00 H new ATOM 0 HA3 GLY A 31 9.217 6.594 -3.649 1.00 0.00 H new ATOM 448 N GLY A 32 9.107 3.883 -1.760 1.00 0.00 N ATOM 449 CA GLY A 32 9.300 3.374 -0.428 1.00 0.00 C ATOM 450 C GLY A 32 10.464 2.453 -0.530 1.00 0.00 C ATOM 451 O GLY A 32 10.639 1.762 -1.534 1.00 0.00 O ATOM 0 H GLY A 32 8.705 3.204 -2.406 1.00 0.00 H new ATOM 0 HA2 GLY A 32 9.497 4.181 0.278 1.00 0.00 H new ATOM 0 HA3 GLY A 32 8.412 2.850 -0.074 1.00 0.00 H new ATOM 455 N THR A 33 11.319 2.435 0.508 1.00 0.00 N ATOM 456 CA THR A 33 12.612 1.814 0.446 1.00 0.00 C ATOM 457 C THR A 33 12.590 0.514 1.204 1.00 0.00 C ATOM 458 O THR A 33 13.630 -0.079 1.503 1.00 0.00 O ATOM 459 CB THR A 33 13.653 2.764 1.002 1.00 0.00 C ATOM 460 OG1 THR A 33 13.171 3.390 2.188 1.00 0.00 O ATOM 461 CG2 THR A 33 13.907 3.861 -0.053 1.00 0.00 C ATOM 0 H THR A 33 11.110 2.860 1.411 1.00 0.00 H new ATOM 0 HA THR A 33 12.870 1.592 -0.589 1.00 0.00 H new ATOM 0 HB THR A 33 14.563 2.211 1.233 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.854 4.000 2.537 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.654 4.560 0.322 1.00 0.00 H new ATOM 0 HG22 THR A 33 14.268 3.403 -0.974 1.00 0.00 H new ATOM 0 HG23 THR A 33 12.978 4.395 -0.253 1.00 0.00 H new ATOM 469 N SER A 34 11.394 -0.004 1.514 1.00 0.00 N ATOM 470 CA SER A 34 11.237 -1.388 1.834 1.00 0.00 C ATOM 471 C SER A 34 9.796 -1.514 1.545 1.00 0.00 C ATOM 472 O SER A 34 9.094 -0.501 1.589 1.00 0.00 O ATOM 473 CB SER A 34 11.516 -1.773 3.297 1.00 0.00 C ATOM 474 OG SER A 34 12.898 -1.602 3.582 1.00 0.00 O ATOM 0 H SER A 34 10.529 0.536 1.544 1.00 0.00 H new ATOM 0 HA SER A 34 11.933 -2.030 1.295 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.918 -1.155 3.966 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.224 -2.808 3.473 1.00 0.00 H new ATOM 0 HG SER A 34 13.368 -1.326 2.768 1.00 0.00 H new ATOM 480 N GLY A 35 9.339 -2.732 1.222 1.00 0.00 N ATOM 481 CA GLY A 35 8.022 -2.957 0.739 1.00 0.00 C ATOM 482 C GLY A 35 7.889 -4.349 1.187 1.00 0.00 C ATOM 483 O GLY A 35 8.899 -5.049 1.287 1.00 0.00 O ATOM 0 H GLY A 35 9.900 -3.580 1.299 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.283 -2.292 1.186 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.938 -2.846 -0.342 1.00 0.00 H new ATOM 487 N HIS A 36 6.662 -4.755 1.538 1.00 0.00 N ATOM 488 CA HIS A 36 6.397 -6.020 2.150 1.00 0.00 C ATOM 489 C HIS A 36 4.960 -6.229 1.796 1.00 0.00 C ATOM 490 O HIS A 36 4.389 -5.443 1.036 1.00 0.00 O ATOM 491 CB HIS A 36 6.547 -5.995 3.700 1.00 0.00 C ATOM 492 CG HIS A 36 7.916 -5.585 4.183 1.00 0.00 C ATOM 493 ND1 HIS A 36 9.019 -6.386 4.057 1.00 0.00 N ATOM 494 CD2 HIS A 36 8.326 -4.434 4.769 1.00 0.00 C ATOM 495 CE1 HIS A 36 10.066 -5.736 4.550 1.00 0.00 C ATOM 496 NE2 HIS A 36 9.671 -4.550 4.990 1.00 0.00 N ATOM 0 H HIS A 36 5.826 -4.189 1.393 1.00 0.00 H new ATOM 0 HA HIS A 36 7.088 -6.793 1.814 1.00 0.00 H new ATOM 0 HB2 HIS A 36 5.808 -5.309 4.114 1.00 0.00 H new ATOM 0 HB3 HIS A 36 6.318 -6.986 4.092 1.00 0.00 H new ATOM 0 HD2 HIS A 36 7.707 -3.584 5.015 1.00 0.00 H new ATOM 0 HE1 HIS A 36 11.077 -6.113 4.587 1.00 0.00 H new ATOM 0 HE2 HIS A 36 10.268 -3.844 5.420 1.00 0.00 H new ATOM 505 N CYS A 37 4.327 -7.267 2.376 1.00 0.00 N ATOM 506 CA CYS A 37 2.920 -7.533 2.225 1.00 0.00 C ATOM 507 C CYS A 37 2.319 -7.074 3.510 1.00 0.00 C ATOM 508 O CYS A 37 3.037 -6.635 4.409 1.00 0.00 O ATOM 509 CB CYS A 37 2.563 -9.036 2.107 1.00 0.00 C ATOM 510 SG CYS A 37 3.316 -9.864 0.689 1.00 0.00 S ATOM 0 H CYS A 37 4.806 -7.945 2.969 1.00 0.00 H new ATOM 0 HA CYS A 37 2.569 -7.045 1.316 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.875 -9.545 3.019 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.480 -9.137 2.040 1.00 0.00 H new ATOM 515 N GLY A 38 0.992 -7.215 3.660 1.00 0.00 N ATOM 516 CA GLY A 38 0.393 -6.976 4.926 1.00 0.00 C ATOM 517 C GLY A 38 -1.017 -7.395 4.727 1.00 0.00 C ATOM 518 O GLY A 38 -1.402 -7.780 3.622 1.00 0.00 O ATOM 0 H GLY A 38 0.347 -7.489 2.919 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.876 -7.554 5.714 1.00 0.00 H new ATOM 0 HA3 GLY A 38 0.463 -5.926 5.212 1.00 0.00 H new ATOM 522 N PHE A 39 -1.844 -7.316 5.786 1.00 0.00 N ATOM 523 CA PHE A 39 -3.257 -7.534 5.703 1.00 0.00 C ATOM 524 C PHE A 39 -3.720 -6.330 6.445 1.00 0.00 C ATOM 525 O PHE A 39 -3.150 -6.030 7.500 1.00 0.00 O ATOM 526 CB PHE A 39 -3.726 -8.827 6.429 1.00 0.00 C ATOM 527 CG PHE A 39 -5.081 -9.298 5.955 1.00 0.00 C ATOM 528 CD1 PHE A 39 -6.265 -8.687 6.401 1.00 0.00 C ATOM 529 CD2 PHE A 39 -5.177 -10.396 5.083 1.00 0.00 C ATOM 530 CE1 PHE A 39 -7.516 -9.172 5.998 1.00 0.00 C ATOM 531 CE2 PHE A 39 -6.423 -10.876 4.666 1.00 0.00 C ATOM 532 CZ PHE A 39 -7.595 -10.267 5.129 1.00 0.00 C ATOM 0 H PHE A 39 -1.521 -7.094 6.728 1.00 0.00 H new ATOM 0 HA PHE A 39 -3.628 -7.663 4.686 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -2.993 -9.617 6.266 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -3.764 -8.643 7.503 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -6.210 -7.834 7.062 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.276 -10.876 4.730 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -8.419 -8.701 6.358 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -6.480 -11.715 3.988 1.00 0.00 H new ATOM 0 HZ PHE A 39 -8.559 -10.641 4.816 1.00 0.00 H new ATOM 542 N LYS A 40 -4.721 -5.608 5.898 1.00 0.00 N ATOM 543 CA LYS A 40 -5.279 -4.448 6.533 1.00 0.00 C ATOM 544 C LYS A 40 -6.705 -4.849 6.726 1.00 0.00 C ATOM 545 O LYS A 40 -7.517 -4.787 5.799 1.00 0.00 O ATOM 546 CB LYS A 40 -5.165 -3.161 5.678 1.00 0.00 C ATOM 547 CG LYS A 40 -5.416 -1.844 6.446 1.00 0.00 C ATOM 548 CD LYS A 40 -6.878 -1.571 6.838 1.00 0.00 C ATOM 549 CE LYS A 40 -7.083 -0.183 7.460 1.00 0.00 C ATOM 550 NZ LYS A 40 -8.476 -0.019 7.933 1.00 0.00 N ATOM 0 H LYS A 40 -5.150 -5.834 5.000 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.756 -4.187 7.453 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.169 -3.123 5.237 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -5.876 -3.225 4.855 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.811 -1.852 7.353 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.062 -1.014 5.834 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.509 -1.664 5.954 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -7.207 -2.332 7.545 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.393 -0.047 8.293 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.851 0.588 6.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -8.592 0.927 8.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -9.130 -0.127 7.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.686 -0.742 8.651 1.00 0.00 H new ATOM 564 N VAL A 41 -7.047 -5.293 7.954 1.00 0.00 N ATOM 565 CA VAL A 41 -8.359 -5.798 8.265 1.00 0.00 C ATOM 566 C VAL A 41 -9.306 -4.624 8.219 1.00 0.00 C ATOM 567 O VAL A 41 -9.019 -3.563 8.767 1.00 0.00 O ATOM 568 CB VAL A 41 -8.451 -6.504 9.616 1.00 0.00 C ATOM 569 CG1 VAL A 41 -9.721 -7.380 9.638 1.00 0.00 C ATOM 570 CG2 VAL A 41 -7.196 -7.371 9.865 1.00 0.00 C ATOM 0 H VAL A 41 -6.404 -5.302 8.745 1.00 0.00 H new ATOM 0 HA VAL A 41 -8.616 -6.563 7.532 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.506 -5.759 10.409 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -9.796 -7.889 10.599 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.599 -6.751 9.491 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -9.667 -8.120 8.839 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.281 -7.865 10.833 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.111 -8.122 9.080 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.309 -6.738 9.858 1.00 0.00 H new ATOM 580 N GLY A 42 -10.423 -4.777 7.487 1.00 0.00 N ATOM 581 CA GLY A 42 -11.278 -3.670 7.157 1.00 0.00 C ATOM 582 C GLY A 42 -11.376 -3.704 5.673 1.00 0.00 C ATOM 583 O GLY A 42 -12.450 -3.518 5.110 1.00 0.00 O ATOM 0 H GLY A 42 -10.740 -5.674 7.119 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -12.258 -3.773 7.622 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -10.858 -2.726 7.505 1.00 0.00 H new ATOM 587 N HIS A 43 -10.241 -3.963 4.988 1.00 0.00 N ATOM 588 CA HIS A 43 -10.225 -4.091 3.555 1.00 0.00 C ATOM 589 C HIS A 43 -9.996 -5.536 3.241 1.00 0.00 C ATOM 590 O HIS A 43 -10.888 -6.218 2.740 1.00 0.00 O ATOM 591 CB HIS A 43 -9.112 -3.259 2.889 1.00 0.00 C ATOM 592 CG HIS A 43 -9.420 -1.791 2.805 1.00 0.00 C ATOM 593 ND1 HIS A 43 -9.602 -0.867 3.779 1.00 0.00 N flip ATOM 594 CD2 HIS A 43 -9.455 -1.126 1.608 1.00 0.00 C flip ATOM 595 CE1 HIS A 43 -9.743 0.346 3.158 1.00 0.00 C flip ATOM 596 NE2 HIS A 43 -9.646 0.161 1.849 1.00 0.00 N flip ATOM 0 H HIS A 43 -9.329 -4.085 5.429 1.00 0.00 H new ATOM 0 HA HIS A 43 -11.174 -3.721 3.166 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -8.186 -3.395 3.448 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -8.937 -3.642 1.884 1.00 0.00 H new ATOM 0 HD2 HIS A 43 -9.345 -1.576 0.632 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -9.906 1.293 3.651 1.00 0.00 H new ATOM 0 HE2 HIS A 43 -9.709 0.893 1.141 1.00 0.00 H new ATOM 605 N GLY A 44 -8.781 -6.055 3.506 1.00 0.00 N ATOM 606 CA GLY A 44 -8.434 -7.363 3.048 1.00 0.00 C ATOM 607 C GLY A 44 -6.947 -7.357 3.042 1.00 0.00 C ATOM 608 O GLY A 44 -6.329 -6.569 3.761 1.00 0.00 O ATOM 0 H GLY A 44 -8.049 -5.575 4.030 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.828 -8.135 3.709 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.837 -7.558 2.054 1.00 0.00 H new ATOM 612 N LEU A 45 -6.344 -8.230 2.202 1.00 0.00 N ATOM 613 CA LEU A 45 -4.913 -8.378 2.083 1.00 0.00 C ATOM 614 C LEU A 45 -4.431 -7.159 1.341 1.00 0.00 C ATOM 615 O LEU A 45 -5.137 -6.678 0.457 1.00 0.00 O ATOM 616 CB LEU A 45 -4.534 -9.710 1.374 1.00 0.00 C ATOM 617 CG LEU A 45 -3.116 -10.258 1.683 1.00 0.00 C ATOM 618 CD1 LEU A 45 -3.112 -11.798 1.756 1.00 0.00 C ATOM 619 CD2 LEU A 45 -2.050 -9.796 0.678 1.00 0.00 C ATOM 0 H LEU A 45 -6.866 -8.853 1.586 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.431 -8.441 3.059 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.265 -10.469 1.652 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.620 -9.564 0.297 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.853 -9.842 2.656 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.103 -12.149 1.974 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.789 -12.127 2.544 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.441 -12.208 0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.083 -10.216 0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.321 -10.136 -0.322 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.989 -8.708 0.687 1.00 0.00 H new ATOM 631 N ALA A 46 -3.261 -6.603 1.718 1.00 0.00 N ATOM 632 CA ALA A 46 -2.831 -5.316 1.250 1.00 0.00 C ATOM 633 C ALA A 46 -1.373 -5.488 1.003 1.00 0.00 C ATOM 634 O ALA A 46 -0.861 -6.603 1.107 1.00 0.00 O ATOM 635 CB ALA A 46 -3.042 -4.214 2.309 1.00 0.00 C ATOM 0 H ALA A 46 -2.604 -7.052 2.356 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.395 -5.006 0.370 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.703 -3.258 1.911 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.101 -4.148 2.559 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.472 -4.457 3.206 1.00 0.00 H new ATOM 641 N CYS A 47 -0.645 -4.396 0.691 1.00 0.00 N ATOM 642 CA CYS A 47 0.791 -4.491 0.645 1.00 0.00 C ATOM 643 C CYS A 47 1.220 -3.557 1.706 1.00 0.00 C ATOM 644 O CYS A 47 0.369 -2.905 2.310 1.00 0.00 O ATOM 645 CB CYS A 47 1.373 -4.089 -0.712 1.00 0.00 C ATOM 646 SG CYS A 47 1.127 -5.424 -1.894 1.00 0.00 S ATOM 0 H CYS A 47 -1.030 -3.476 0.477 1.00 0.00 H new ATOM 0 HA CYS A 47 1.139 -5.514 0.790 1.00 0.00 H new ATOM 0 HB2 CYS A 47 0.892 -3.179 -1.070 1.00 0.00 H new ATOM 0 HB3 CYS A 47 2.436 -3.869 -0.612 1.00 0.00 H new ATOM 651 N TRP A 48 2.533 -3.452 1.983 1.00 0.00 N ATOM 652 CA TRP A 48 3.007 -2.579 3.018 1.00 0.00 C ATOM 653 C TRP A 48 4.225 -1.967 2.406 1.00 0.00 C ATOM 654 O TRP A 48 4.842 -2.574 1.529 1.00 0.00 O ATOM 655 CB TRP A 48 3.256 -3.345 4.354 1.00 0.00 C ATOM 656 CG TRP A 48 4.045 -2.614 5.424 1.00 0.00 C ATOM 657 CD1 TRP A 48 5.397 -2.462 5.432 1.00 0.00 C ATOM 658 CD2 TRP A 48 3.547 -1.876 6.558 1.00 0.00 C ATOM 659 NE1 TRP A 48 5.781 -1.627 6.440 1.00 0.00 N ATOM 660 CE2 TRP A 48 4.664 -1.241 7.149 1.00 0.00 C ATOM 661 CE3 TRP A 48 2.270 -1.707 7.075 1.00 0.00 C ATOM 662 CZ2 TRP A 48 4.508 -0.398 8.247 1.00 0.00 C ATOM 663 CZ3 TRP A 48 2.113 -0.873 8.193 1.00 0.00 C ATOM 664 CH2 TRP A 48 3.216 -0.218 8.762 1.00 0.00 C ATOM 0 H TRP A 48 3.265 -3.968 1.494 1.00 0.00 H new ATOM 0 HA TRP A 48 2.293 -1.814 3.322 1.00 0.00 H new ATOM 0 HB2 TRP A 48 2.288 -3.620 4.774 1.00 0.00 H new ATOM 0 HB3 TRP A 48 3.778 -4.273 4.121 1.00 0.00 H new ATOM 0 HD1 TRP A 48 6.073 -2.937 4.736 1.00 0.00 H new ATOM 0 HE1 TRP A 48 6.739 -1.336 6.637 1.00 0.00 H new ATOM 0 HE3 TRP A 48 1.421 -2.203 6.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 5.357 0.102 8.689 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 1.131 -0.734 8.621 1.00 0.00 H new ATOM 0 HH2 TRP A 48 3.068 0.435 9.610 1.00 0.00 H new ATOM 675 N CYS A 49 4.565 -0.728 2.836 1.00 0.00 N ATOM 676 CA CYS A 49 5.714 -0.007 2.368 1.00 0.00 C ATOM 677 C CYS A 49 6.216 0.727 3.558 1.00 0.00 C ATOM 678 O CYS A 49 5.456 1.013 4.483 1.00 0.00 O ATOM 679 CB CYS A 49 5.409 1.068 1.308 1.00 0.00 C ATOM 680 SG CYS A 49 5.394 0.407 -0.371 1.00 0.00 S ATOM 0 H CYS A 49 4.021 -0.216 3.530 1.00 0.00 H new ATOM 0 HA CYS A 49 6.399 -0.722 1.913 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.442 1.521 1.524 1.00 0.00 H new ATOM 0 HB3 CYS A 49 6.154 1.860 1.375 1.00 0.00 H new ATOM 685 N ASN A 50 7.517 1.068 3.535 1.00 0.00 N ATOM 686 CA ASN A 50 8.132 1.853 4.566 1.00 0.00 C ATOM 687 C ASN A 50 8.802 2.962 3.831 1.00 0.00 C ATOM 688 O ASN A 50 9.445 2.715 2.814 1.00 0.00 O ATOM 689 CB ASN A 50 9.250 1.111 5.339 1.00 0.00 C ATOM 690 CG ASN A 50 8.640 0.155 6.364 1.00 0.00 C ATOM 691 OD1 ASN A 50 8.433 -1.036 6.102 1.00 0.00 O ATOM 692 ND2 ASN A 50 8.318 0.698 7.574 1.00 0.00 N ATOM 0 H ASN A 50 8.155 0.795 2.788 1.00 0.00 H new ATOM 0 HA ASN A 50 7.373 2.141 5.294 1.00 0.00 H new ATOM 0 HB2 ASN A 50 9.877 0.556 4.642 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.894 1.832 5.842 1.00 0.00 H new ATOM 0 HD21 ASN A 50 7.892 0.117 8.297 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.503 1.684 7.756 1.00 0.00 H new ATOM 699 N ALA A 51 8.675 4.197 4.362 1.00 0.00 N ATOM 700 CA ALA A 51 9.385 5.384 3.959 1.00 0.00 C ATOM 701 C ALA A 51 8.860 5.892 2.657 1.00 0.00 C ATOM 702 O ALA A 51 9.626 6.189 1.745 1.00 0.00 O ATOM 703 CB ALA A 51 10.919 5.257 3.905 1.00 0.00 C ATOM 0 H ALA A 51 8.029 4.380 5.130 1.00 0.00 H new ATOM 0 HA ALA A 51 9.193 6.103 4.756 1.00 0.00 H new ATOM 0 HB1 ALA A 51 11.352 6.207 3.591 1.00 0.00 H new ATOM 0 HB2 ALA A 51 11.297 4.995 4.893 1.00 0.00 H new ATOM 0 HB3 ALA A 51 11.195 4.479 3.193 1.00 0.00 H new ATOM 709 N LEU A 52 7.523 6.031 2.555 1.00 0.00 N ATOM 710 CA LEU A 52 6.916 6.569 1.359 1.00 0.00 C ATOM 711 C LEU A 52 6.851 8.059 1.554 1.00 0.00 C ATOM 712 O LEU A 52 6.561 8.483 2.676 1.00 0.00 O ATOM 713 CB LEU A 52 5.461 6.106 1.097 1.00 0.00 C ATOM 714 CG LEU A 52 5.317 4.668 0.557 1.00 0.00 C ATOM 715 CD1 LEU A 52 3.848 4.225 0.641 1.00 0.00 C ATOM 716 CD2 LEU A 52 5.834 4.513 -0.889 1.00 0.00 C ATOM 0 H LEU A 52 6.862 5.776 3.289 1.00 0.00 H new ATOM 0 HA LEU A 52 7.517 6.227 0.516 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.898 6.186 2.027 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.001 6.792 0.386 1.00 0.00 H new ATOM 0 HG LEU A 52 5.938 4.028 1.184 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.752 3.209 0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 52 3.518 4.254 1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.231 4.897 0.045 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.706 3.480 -1.212 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.271 5.173 -1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 52 6.891 4.777 -0.928 1.00 0.00 H new ATOM 728 N PRO A 53 7.077 8.893 0.545 1.00 0.00 N ATOM 729 CA PRO A 53 6.959 10.329 0.689 1.00 0.00 C ATOM 730 C PRO A 53 5.542 10.751 0.956 1.00 0.00 C ATOM 731 O PRO A 53 4.609 9.999 0.690 1.00 0.00 O ATOM 732 CB PRO A 53 7.412 10.883 -0.668 1.00 0.00 C ATOM 733 CG PRO A 53 8.432 9.856 -1.160 1.00 0.00 C ATOM 734 CD PRO A 53 7.842 8.540 -0.654 1.00 0.00 C ATOM 0 HA PRO A 53 7.549 10.694 1.530 1.00 0.00 H new ATOM 0 HB2 PRO A 53 6.575 10.979 -1.360 1.00 0.00 H new ATOM 0 HB3 PRO A 53 7.858 11.873 -0.567 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.529 9.867 -2.246 1.00 0.00 H new ATOM 0 HG3 PRO A 53 9.425 10.041 -0.750 1.00 0.00 H new ATOM 0 HD2 PRO A 53 7.202 8.081 -1.407 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.627 7.821 -0.422 1.00 0.00 H new ATOM 742 N ASP A 54 5.369 11.980 1.457 1.00 0.00 N ATOM 743 CA ASP A 54 4.086 12.566 1.759 1.00 0.00 C ATOM 744 C ASP A 54 3.161 12.692 0.570 1.00 0.00 C ATOM 745 O ASP A 54 1.960 12.882 0.740 1.00 0.00 O ATOM 746 CB ASP A 54 4.268 13.994 2.305 1.00 0.00 C ATOM 747 CG ASP A 54 5.083 13.955 3.597 1.00 0.00 C ATOM 748 OD1 ASP A 54 4.601 13.339 4.586 1.00 0.00 O ATOM 749 OD2 ASP A 54 6.206 14.527 3.604 1.00 0.00 O ATOM 0 H ASP A 54 6.151 12.602 1.665 1.00 0.00 H new ATOM 0 HA ASP A 54 3.639 11.884 2.482 1.00 0.00 H new ATOM 0 HB2 ASP A 54 4.773 14.615 1.565 1.00 0.00 H new ATOM 0 HB3 ASP A 54 3.295 14.448 2.492 1.00 0.00 H new ATOM 754 N ASN A 55 3.695 12.599 -0.671 1.00 0.00 N ATOM 755 CA ASN A 55 2.900 12.718 -1.875 1.00 0.00 C ATOM 756 C ASN A 55 2.305 11.394 -2.267 1.00 0.00 C ATOM 757 O ASN A 55 1.610 11.318 -3.279 1.00 0.00 O ATOM 758 CB ASN A 55 3.673 13.288 -3.102 1.00 0.00 C ATOM 759 CG ASN A 55 4.891 12.440 -3.504 1.00 0.00 C ATOM 760 OD1 ASN A 55 5.998 12.722 -3.034 1.00 0.00 O ATOM 761 ND2 ASN A 55 4.678 11.402 -4.363 1.00 0.00 N ATOM 0 H ASN A 55 4.687 12.440 -0.845 1.00 0.00 H new ATOM 0 HA ASN A 55 2.121 13.434 -1.615 1.00 0.00 H new ATOM 0 HB2 ASN A 55 2.992 13.358 -3.950 1.00 0.00 H new ATOM 0 HB3 ASN A 55 4.004 14.301 -2.875 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.457 10.810 -4.650 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.740 11.218 -4.718 1.00 0.00 H new ATOM 768 N VAL A 56 2.580 10.310 -1.513 1.00 0.00 N ATOM 769 CA VAL A 56 2.007 9.019 -1.802 1.00 0.00 C ATOM 770 C VAL A 56 0.782 8.975 -0.927 1.00 0.00 C ATOM 771 O VAL A 56 0.710 9.697 0.065 1.00 0.00 O ATOM 772 CB VAL A 56 2.981 7.867 -1.562 1.00 0.00 C ATOM 773 CG1 VAL A 56 2.488 6.599 -2.294 1.00 0.00 C ATOM 774 CG2 VAL A 56 4.374 8.307 -2.073 1.00 0.00 C ATOM 0 H VAL A 56 3.199 10.323 -0.702 1.00 0.00 H new ATOM 0 HA VAL A 56 1.758 8.893 -2.856 1.00 0.00 H new ATOM 0 HB VAL A 56 3.044 7.627 -0.501 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.188 5.782 -2.118 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.504 6.321 -1.917 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.424 6.798 -3.364 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.091 7.502 -1.914 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.316 8.536 -3.137 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.698 9.194 -1.528 1.00 0.00 H new ATOM 784 N GLY A 57 -0.231 8.156 -1.265 1.00 0.00 N ATOM 785 CA GLY A 57 -1.456 8.086 -0.529 1.00 0.00 C ATOM 786 C GLY A 57 -1.669 6.624 -0.617 1.00 0.00 C ATOM 787 O GLY A 57 -1.129 5.998 -1.533 1.00 0.00 O ATOM 0 H GLY A 57 -0.198 7.528 -2.068 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -1.356 8.440 0.497 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.261 8.661 -0.987 1.00 0.00 H new ATOM 791 N ILE A 58 -2.373 6.054 0.373 1.00 0.00 N ATOM 792 CA ILE A 58 -2.274 4.664 0.717 1.00 0.00 C ATOM 793 C ILE A 58 -3.659 4.283 1.165 1.00 0.00 C ATOM 794 O ILE A 58 -4.630 4.776 0.591 1.00 0.00 O ATOM 795 CB ILE A 58 -1.180 4.443 1.759 1.00 0.00 C ATOM 796 CG1 ILE A 58 -1.295 5.386 2.980 1.00 0.00 C ATOM 797 CG2 ILE A 58 0.206 4.590 1.082 1.00 0.00 C ATOM 798 CD1 ILE A 58 -0.280 5.035 4.068 1.00 0.00 C ATOM 0 H ILE A 58 -3.032 6.571 0.955 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.968 4.025 -0.112 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.303 3.434 2.151 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.142 6.416 2.659 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -2.303 5.327 3.391 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.991 4.433 1.822 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.303 3.850 0.288 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.300 5.590 0.660 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.394 5.721 4.907 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.450 4.014 4.408 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.729 5.120 3.665 1.00 0.00 H new ATOM 810 N ILE A 59 -3.802 3.388 2.177 1.00 0.00 N ATOM 811 CA ILE A 59 -5.091 2.976 2.700 1.00 0.00 C ATOM 812 C ILE A 59 -5.677 4.165 3.407 1.00 0.00 C ATOM 813 O ILE A 59 -4.950 4.974 3.983 1.00 0.00 O ATOM 814 CB ILE A 59 -5.099 1.815 3.707 1.00 0.00 C ATOM 815 CG1 ILE A 59 -3.953 0.815 3.530 1.00 0.00 C ATOM 816 CG2 ILE A 59 -6.453 1.070 3.693 1.00 0.00 C ATOM 817 CD1 ILE A 59 -3.807 0.140 2.177 1.00 0.00 C ATOM 0 H ILE A 59 -3.011 2.942 2.641 1.00 0.00 H new ATOM 0 HA ILE A 59 -5.648 2.615 1.836 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.947 2.287 4.677 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.019 1.333 3.749 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -4.069 0.035 4.283 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.427 0.254 4.416 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.252 1.763 3.956 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.636 0.666 2.697 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -2.955 -0.540 2.200 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.713 -0.421 1.951 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.647 0.896 1.408 1.00 0.00 H new ATOM 829 N VAL A 60 -7.012 4.279 3.364 1.00 0.00 N ATOM 830 CA VAL A 60 -7.798 5.288 3.997 1.00 0.00 C ATOM 831 C VAL A 60 -8.940 4.362 4.322 1.00 0.00 C ATOM 832 O VAL A 60 -8.994 3.282 3.725 1.00 0.00 O ATOM 833 CB VAL A 60 -8.242 6.389 3.029 1.00 0.00 C ATOM 834 CG1 VAL A 60 -8.859 7.574 3.797 1.00 0.00 C ATOM 835 CG2 VAL A 60 -7.054 6.854 2.156 1.00 0.00 C ATOM 0 H VAL A 60 -7.586 3.614 2.846 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.331 5.854 4.803 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.008 5.980 2.370 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -9.167 8.345 3.090 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.726 7.230 4.361 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.120 7.987 4.484 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.388 7.636 1.474 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.263 7.244 2.796 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.673 6.010 1.581 1.00 0.00 H new