USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 503 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 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.098 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 36:sc= 0.927 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0474) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.0139 X(o=-0.014,f=-0.13) USER MOD Single : A 22 ASN : amide:sc= -2.31 K(o=-2.3,f=-5.8!) USER MOD Single : A 25 SER OG : rot 43:sc= 0.0177 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc=-0.00728 X(o=-0.0073,f=0) USER MOD Single : A 46 SER OG : rot 180:sc= -0.0269 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= -0.399 K(o=-0.4,f=-2!) USER MOD Single : A 56 CYS SG : rot 180:sc= 0.0521 USER MOD Single : A 57 ASN : amide:sc= -0.0113 X(o=-0.011,f=-0.087) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 45:sc= 0.194 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.499 0.316 -18.367 1.00 0.00 N ATOM 2 CA GLY A 1 0.727 0.726 -17.703 1.00 0.00 C ATOM 3 C GLY A 1 0.432 1.312 -16.321 1.00 0.00 C ATOM 4 O GLY A 1 -0.696 1.232 -15.836 1.00 0.00 O ATOM 0 H1 GLY A 1 -0.452 -0.700 -18.586 1.00 0.00 H new ATOM 0 H2 GLY A 1 -1.310 0.499 -17.742 1.00 0.00 H new ATOM 0 H3 GLY A 1 -0.613 0.855 -19.249 1.00 0.00 H new ATOM 0 HA2 GLY A 1 1.395 -0.130 -17.604 1.00 0.00 H new ATOM 0 HA3 GLY A 1 1.245 1.466 -18.313 1.00 0.00 H new ATOM 8 N SER A 2 1.465 1.888 -15.725 1.00 0.00 N ATOM 9 CA SER A 2 1.331 2.487 -14.408 1.00 0.00 C ATOM 10 C SER A 2 0.353 3.662 -14.464 1.00 0.00 C ATOM 11 O SER A 2 0.402 4.471 -15.389 1.00 0.00 O ATOM 12 CB SER A 2 2.688 2.951 -13.873 1.00 0.00 C ATOM 13 OG SER A 2 3.089 4.194 -14.442 1.00 0.00 O ATOM 0 H SER A 2 2.399 1.953 -16.130 1.00 0.00 H new ATOM 0 HA SER A 2 0.941 1.731 -13.727 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.636 3.049 -12.789 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.441 2.193 -14.089 1.00 0.00 H new ATOM 0 HG SER A 2 3.958 4.457 -14.074 1.00 0.00 H new ATOM 19 N SER A 3 -0.513 3.718 -13.462 1.00 0.00 N ATOM 20 CA SER A 3 -1.501 4.780 -13.387 1.00 0.00 C ATOM 21 C SER A 3 -0.961 5.938 -12.544 1.00 0.00 C ATOM 22 O SER A 3 -0.898 7.074 -13.011 1.00 0.00 O ATOM 23 CB SER A 3 -2.818 4.267 -12.801 1.00 0.00 C ATOM 24 OG SER A 3 -3.910 5.132 -13.103 1.00 0.00 O ATOM 0 H SER A 3 -0.550 3.045 -12.696 1.00 0.00 H new ATOM 0 HA SER A 3 -1.698 5.135 -14.398 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.025 3.271 -13.193 1.00 0.00 H new ATOM 0 HB3 SER A 3 -2.720 4.170 -11.720 1.00 0.00 H new ATOM 0 HG SER A 3 -4.732 4.769 -12.713 1.00 0.00 H new ATOM 30 N GLY A 4 -0.586 5.609 -11.316 1.00 0.00 N ATOM 31 CA GLY A 4 -0.054 6.607 -10.404 1.00 0.00 C ATOM 32 C GLY A 4 1.387 6.278 -10.011 1.00 0.00 C ATOM 33 O GLY A 4 1.761 5.108 -9.931 1.00 0.00 O ATOM 0 H GLY A 4 -0.640 4.666 -10.932 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.091 7.590 -10.873 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -0.676 6.657 -9.510 1.00 0.00 H new ATOM 37 N SER A 5 2.158 7.329 -9.775 1.00 0.00 N ATOM 38 CA SER A 5 3.550 7.166 -9.392 1.00 0.00 C ATOM 39 C SER A 5 3.743 7.580 -7.932 1.00 0.00 C ATOM 40 O SER A 5 4.733 7.209 -7.304 1.00 0.00 O ATOM 41 CB SER A 5 4.470 7.983 -10.302 1.00 0.00 C ATOM 42 OG SER A 5 4.235 9.383 -10.181 1.00 0.00 O ATOM 0 H SER A 5 1.845 8.297 -9.842 1.00 0.00 H new ATOM 0 HA SER A 5 3.815 6.114 -9.502 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.509 7.767 -10.054 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.319 7.678 -11.338 1.00 0.00 H new ATOM 0 HG SER A 5 4.843 9.869 -10.776 1.00 0.00 H new ATOM 48 N SER A 6 2.781 8.344 -7.435 1.00 0.00 N ATOM 49 CA SER A 6 2.833 8.813 -6.060 1.00 0.00 C ATOM 50 C SER A 6 1.513 8.503 -5.352 1.00 0.00 C ATOM 51 O SER A 6 0.514 9.190 -5.564 1.00 0.00 O ATOM 52 CB SER A 6 3.129 10.312 -6.000 1.00 0.00 C ATOM 53 OG SER A 6 2.096 11.085 -6.607 1.00 0.00 O ATOM 0 H SER A 6 1.961 8.650 -7.959 1.00 0.00 H new ATOM 0 HA SER A 6 3.643 8.291 -5.550 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.247 10.617 -4.960 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.076 10.515 -6.501 1.00 0.00 H new ATOM 0 HG SER A 6 1.228 10.665 -6.434 1.00 0.00 H new ATOM 59 N GLY A 7 1.550 7.469 -4.525 1.00 0.00 N ATOM 60 CA GLY A 7 0.369 7.060 -3.784 1.00 0.00 C ATOM 61 C GLY A 7 0.635 7.073 -2.277 1.00 0.00 C ATOM 62 O GLY A 7 1.146 8.055 -1.742 1.00 0.00 O ATOM 0 H GLY A 7 2.380 6.902 -4.352 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.460 7.729 -4.016 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.068 6.060 -4.095 1.00 0.00 H new ATOM 66 N LYS A 8 0.276 5.970 -1.636 1.00 0.00 N ATOM 67 CA LYS A 8 0.470 5.842 -0.202 1.00 0.00 C ATOM 68 C LYS A 8 1.119 4.490 0.102 1.00 0.00 C ATOM 69 O LYS A 8 1.221 3.635 -0.777 1.00 0.00 O ATOM 70 CB LYS A 8 -0.849 6.071 0.540 1.00 0.00 C ATOM 71 CG LYS A 8 -0.651 7.005 1.735 1.00 0.00 C ATOM 72 CD LYS A 8 -0.577 6.214 3.043 1.00 0.00 C ATOM 73 CE LYS A 8 -1.877 6.348 3.838 1.00 0.00 C ATOM 74 NZ LYS A 8 -1.964 5.290 4.870 1.00 0.00 N ATOM 0 H LYS A 8 -0.148 5.157 -2.084 1.00 0.00 H new ATOM 0 HA LYS A 8 1.151 6.612 0.160 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.584 6.498 -0.142 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -1.248 5.116 0.882 1.00 0.00 H new ATOM 0 HG2 LYS A 8 0.264 7.582 1.602 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.473 7.719 1.783 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.386 5.163 2.826 1.00 0.00 H new ATOM 0 HD3 LYS A 8 0.259 6.573 3.643 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -1.922 7.329 4.310 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -2.731 6.279 3.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -2.852 5.395 5.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.942 4.356 4.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -1.159 5.375 5.523 1.00 0.00 H new ATOM 88 N TYR A 9 1.540 4.339 1.349 1.00 0.00 N ATOM 89 CA TYR A 9 2.177 3.106 1.779 1.00 0.00 C ATOM 90 C TYR A 9 1.831 2.790 3.236 1.00 0.00 C ATOM 91 O TYR A 9 1.261 3.624 3.937 1.00 0.00 O ATOM 92 CB TYR A 9 3.683 3.347 1.666 1.00 0.00 C ATOM 93 CG TYR A 9 4.184 3.489 0.227 1.00 0.00 C ATOM 94 CD1 TYR A 9 4.327 2.370 -0.568 1.00 0.00 C ATOM 95 CD2 TYR A 9 4.492 4.737 -0.276 1.00 0.00 C ATOM 96 CE1 TYR A 9 4.799 2.504 -1.922 1.00 0.00 C ATOM 97 CE2 TYR A 9 4.963 4.871 -1.630 1.00 0.00 C ATOM 98 CZ TYR A 9 5.093 3.747 -2.386 1.00 0.00 C ATOM 99 OH TYR A 9 5.538 3.874 -3.665 1.00 0.00 O ATOM 0 H TYR A 9 1.452 5.050 2.075 1.00 0.00 H new ATOM 0 HA TYR A 9 1.841 2.268 1.169 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.939 4.250 2.220 1.00 0.00 H new ATOM 0 HB3 TYR A 9 4.210 2.521 2.143 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.085 1.394 -0.175 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.380 5.613 0.346 1.00 0.00 H new ATOM 0 HE1 TYR A 9 4.917 1.636 -2.554 1.00 0.00 H new ATOM 0 HE2 TYR A 9 5.208 5.841 -2.036 1.00 0.00 H new ATOM 0 HH TYR A 9 5.707 4.819 -3.860 1.00 0.00 H new ATOM 109 N VAL A 10 2.192 1.584 3.648 1.00 0.00 N ATOM 110 CA VAL A 10 1.927 1.147 5.009 1.00 0.00 C ATOM 111 C VAL A 10 3.204 0.553 5.607 1.00 0.00 C ATOM 112 O VAL A 10 3.919 -0.191 4.938 1.00 0.00 O ATOM 113 CB VAL A 10 0.749 0.171 5.025 1.00 0.00 C ATOM 114 CG1 VAL A 10 1.162 -1.196 4.477 1.00 0.00 C ATOM 115 CG2 VAL A 10 0.163 0.043 6.433 1.00 0.00 C ATOM 0 H VAL A 10 2.666 0.895 3.064 1.00 0.00 H new ATOM 0 HA VAL A 10 1.639 1.993 5.633 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.027 0.572 4.374 1.00 0.00 H new ATOM 0 HG11 VAL A 10 0.306 -1.871 4.500 1.00 0.00 H new ATOM 0 HG12 VAL A 10 1.511 -1.086 3.450 1.00 0.00 H new ATOM 0 HG13 VAL A 10 1.964 -1.607 5.090 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.673 -0.656 6.417 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.930 -0.324 7.114 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.187 1.018 6.772 1.00 0.00 H new ATOM 125 N LYS A 11 3.452 0.905 6.860 1.00 0.00 N ATOM 126 CA LYS A 11 4.630 0.416 7.556 1.00 0.00 C ATOM 127 C LYS A 11 4.217 -0.678 8.542 1.00 0.00 C ATOM 128 O LYS A 11 3.577 -0.397 9.555 1.00 0.00 O ATOM 129 CB LYS A 11 5.388 1.575 8.205 1.00 0.00 C ATOM 130 CG LYS A 11 6.780 1.132 8.663 1.00 0.00 C ATOM 131 CD LYS A 11 6.881 1.133 10.190 1.00 0.00 C ATOM 132 CE LYS A 11 7.422 2.470 10.702 1.00 0.00 C ATOM 133 NZ LYS A 11 6.354 3.494 10.705 1.00 0.00 N ATOM 0 H LYS A 11 2.857 1.523 7.411 1.00 0.00 H new ATOM 0 HA LYS A 11 5.328 -0.036 6.852 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.479 2.397 7.495 1.00 0.00 H new ATOM 0 HB3 LYS A 11 4.823 1.951 9.058 1.00 0.00 H new ATOM 0 HG2 LYS A 11 6.991 0.133 8.282 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.534 1.799 8.245 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.899 0.944 10.623 1.00 0.00 H new ATOM 0 HD3 LYS A 11 7.534 0.323 10.516 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.819 2.347 11.710 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.248 2.800 10.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 6.709 4.365 11.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.065 3.697 9.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.536 3.141 11.241 1.00 0.00 H new ATOM 147 N ILE A 12 4.600 -1.903 8.213 1.00 0.00 N ATOM 148 CA ILE A 12 4.277 -3.041 9.057 1.00 0.00 C ATOM 149 C ILE A 12 4.727 -2.750 10.490 1.00 0.00 C ATOM 150 O ILE A 12 5.810 -2.208 10.707 1.00 0.00 O ATOM 151 CB ILE A 12 4.869 -4.326 8.475 1.00 0.00 C ATOM 152 CG1 ILE A 12 4.350 -4.576 7.058 1.00 0.00 C ATOM 153 CG2 ILE A 12 4.610 -5.517 9.399 1.00 0.00 C ATOM 154 CD1 ILE A 12 2.824 -4.685 7.045 1.00 0.00 C ATOM 0 H ILE A 12 5.131 -2.132 7.373 1.00 0.00 H new ATOM 0 HA ILE A 12 3.199 -3.200 9.086 1.00 0.00 H new ATOM 0 HB ILE A 12 5.950 -4.203 8.405 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.666 -3.764 6.403 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.787 -5.493 6.663 1.00 0.00 H new ATOM 0 HG21 ILE A 12 5.041 -6.417 8.962 1.00 0.00 H new ATOM 0 HG22 ILE A 12 5.068 -5.330 10.370 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.536 -5.653 9.525 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.481 -4.863 6.026 1.00 0.00 H new ATOM 0 HD12 ILE A 12 2.513 -5.513 7.682 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.390 -3.757 7.418 1.00 0.00 H new ATOM 166 N LEU A 13 3.874 -3.125 11.432 1.00 0.00 N ATOM 167 CA LEU A 13 4.171 -2.912 12.838 1.00 0.00 C ATOM 168 C LEU A 13 4.609 -4.235 13.469 1.00 0.00 C ATOM 169 O LEU A 13 5.492 -4.257 14.325 1.00 0.00 O ATOM 170 CB LEU A 13 2.981 -2.258 13.544 1.00 0.00 C ATOM 171 CG LEU A 13 2.536 -0.903 12.992 1.00 0.00 C ATOM 172 CD1 LEU A 13 1.288 -0.398 13.719 1.00 0.00 C ATOM 173 CD2 LEU A 13 3.679 0.113 13.044 1.00 0.00 C ATOM 0 H LEU A 13 2.977 -3.575 11.249 1.00 0.00 H new ATOM 0 HA LEU A 13 5.001 -2.215 12.950 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.135 -2.943 13.497 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.232 -2.134 14.597 1.00 0.00 H new ATOM 0 HG LEU A 13 2.268 -1.033 11.943 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.993 0.567 13.307 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.476 -1.113 13.587 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.505 -0.288 14.781 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.336 1.068 12.646 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.001 0.246 14.077 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.516 -0.250 12.447 1.00 0.00 H new ATOM 185 N TYR A 14 3.971 -5.307 13.022 1.00 0.00 N ATOM 186 CA TYR A 14 4.284 -6.631 13.532 1.00 0.00 C ATOM 187 C TYR A 14 4.592 -7.600 12.389 1.00 0.00 C ATOM 188 O TYR A 14 3.884 -7.625 11.383 1.00 0.00 O ATOM 189 CB TYR A 14 3.028 -7.108 14.265 1.00 0.00 C ATOM 190 CG TYR A 14 2.526 -6.137 15.335 1.00 0.00 C ATOM 191 CD1 TYR A 14 1.640 -5.134 14.996 1.00 0.00 C ATOM 192 CD2 TYR A 14 2.958 -6.264 16.640 1.00 0.00 C ATOM 193 CE1 TYR A 14 1.168 -4.221 16.004 1.00 0.00 C ATOM 194 CE2 TYR A 14 2.486 -5.351 17.647 1.00 0.00 C ATOM 195 CZ TYR A 14 1.613 -4.374 17.280 1.00 0.00 C ATOM 196 OH TYR A 14 1.167 -3.511 18.231 1.00 0.00 O ATOM 0 H TYR A 14 3.239 -5.285 12.312 1.00 0.00 H new ATOM 0 HA TYR A 14 5.159 -6.596 14.181 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.234 -7.271 13.536 1.00 0.00 H new ATOM 0 HB3 TYR A 14 3.236 -8.071 14.731 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.301 -5.034 13.975 1.00 0.00 H new ATOM 0 HD2 TYR A 14 3.651 -7.049 16.905 1.00 0.00 H new ATOM 0 HE1 TYR A 14 0.475 -3.431 15.752 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.817 -5.439 18.671 1.00 0.00 H new ATOM 0 HH TYR A 14 1.568 -3.741 19.095 1.00 0.00 H new ATOM 206 N ASP A 15 5.649 -8.375 12.582 1.00 0.00 N ATOM 207 CA ASP A 15 6.060 -9.344 11.579 1.00 0.00 C ATOM 208 C ASP A 15 4.960 -10.394 11.411 1.00 0.00 C ATOM 209 O ASP A 15 4.593 -11.072 12.369 1.00 0.00 O ATOM 210 CB ASP A 15 7.341 -10.065 12.002 1.00 0.00 C ATOM 211 CG ASP A 15 7.360 -10.552 13.452 1.00 0.00 C ATOM 212 OD1 ASP A 15 7.791 -9.755 14.314 1.00 0.00 O ATOM 213 OD2 ASP A 15 6.943 -11.711 13.667 1.00 0.00 O ATOM 0 H ASP A 15 6.233 -8.352 13.418 1.00 0.00 H new ATOM 0 HA ASP A 15 6.239 -8.809 10.646 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.492 -10.921 11.345 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.186 -9.393 11.849 1.00 0.00 H new ATOM 218 N PHE A 16 4.465 -10.495 10.186 1.00 0.00 N ATOM 219 CA PHE A 16 3.415 -11.451 9.879 1.00 0.00 C ATOM 220 C PHE A 16 3.918 -12.527 8.914 1.00 0.00 C ATOM 221 O PHE A 16 4.666 -12.231 7.984 1.00 0.00 O ATOM 222 CB PHE A 16 2.282 -10.672 9.209 1.00 0.00 C ATOM 223 CG PHE A 16 1.016 -11.497 8.969 1.00 0.00 C ATOM 224 CD1 PHE A 16 0.156 -11.737 9.994 1.00 0.00 C ATOM 225 CD2 PHE A 16 0.751 -11.990 7.729 1.00 0.00 C ATOM 226 CE1 PHE A 16 -1.018 -12.503 9.771 1.00 0.00 C ATOM 227 CE2 PHE A 16 -0.423 -12.755 7.506 1.00 0.00 C ATOM 228 CZ PHE A 16 -1.283 -12.996 8.531 1.00 0.00 C ATOM 0 H PHE A 16 4.772 -9.930 9.394 1.00 0.00 H new ATOM 0 HA PHE A 16 3.084 -11.946 10.792 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.030 -9.812 9.829 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.637 -10.284 8.254 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.366 -11.345 10.978 1.00 0.00 H new ATOM 0 HD2 PHE A 16 1.434 -11.799 6.915 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.701 -12.694 10.586 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.634 -13.146 6.522 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.176 -13.579 8.361 1.00 0.00 H new ATOM 238 N THR A 17 3.486 -13.754 9.169 1.00 0.00 N ATOM 239 CA THR A 17 3.882 -14.875 8.335 1.00 0.00 C ATOM 240 C THR A 17 2.680 -15.411 7.555 1.00 0.00 C ATOM 241 O THR A 17 1.905 -16.212 8.076 1.00 0.00 O ATOM 242 CB THR A 17 4.540 -15.924 9.234 1.00 0.00 C ATOM 243 OG1 THR A 17 5.751 -15.306 9.659 1.00 0.00 O ATOM 244 CG2 THR A 17 5.004 -17.156 8.454 1.00 0.00 C ATOM 0 H THR A 17 2.866 -13.996 9.942 1.00 0.00 H new ATOM 0 HA THR A 17 4.608 -14.570 7.582 1.00 0.00 H new ATOM 0 HB THR A 17 3.838 -16.229 10.010 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.241 -15.917 10.248 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.463 -17.869 9.139 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.148 -17.622 7.967 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.732 -16.856 7.700 1.00 0.00 H new ATOM 252 N ALA A 18 2.562 -14.948 6.319 1.00 0.00 N ATOM 253 CA ALA A 18 1.467 -15.370 5.463 1.00 0.00 C ATOM 254 C ALA A 18 1.229 -16.870 5.649 1.00 0.00 C ATOM 255 O ALA A 18 2.098 -17.684 5.338 1.00 0.00 O ATOM 256 CB ALA A 18 1.785 -15.007 4.011 1.00 0.00 C ATOM 0 H ALA A 18 3.207 -14.284 5.890 1.00 0.00 H new ATOM 0 HA ALA A 18 0.547 -14.853 5.735 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.963 -15.324 3.368 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.917 -13.928 3.926 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.701 -15.510 3.703 1.00 0.00 H new ATOM 262 N ARG A 19 0.048 -17.191 6.157 1.00 0.00 N ATOM 263 CA ARG A 19 -0.315 -18.578 6.389 1.00 0.00 C ATOM 264 C ARG A 19 -0.550 -19.295 5.058 1.00 0.00 C ATOM 265 O ARG A 19 -0.310 -20.496 4.944 1.00 0.00 O ATOM 266 CB ARG A 19 -1.578 -18.681 7.246 1.00 0.00 C ATOM 267 CG ARG A 19 -1.344 -18.097 8.640 1.00 0.00 C ATOM 268 CD ARG A 19 -0.536 -19.061 9.510 1.00 0.00 C ATOM 269 NE ARG A 19 -1.371 -20.223 9.888 1.00 0.00 N ATOM 270 CZ ARG A 19 -1.130 -21.009 10.946 1.00 0.00 C ATOM 271 NH1 ARG A 19 -0.078 -20.762 11.738 1.00 0.00 N ATOM 272 NH2 ARG A 19 -1.942 -22.041 11.213 1.00 0.00 N ATOM 0 H ARG A 19 -0.670 -16.514 6.414 1.00 0.00 H new ATOM 0 HA ARG A 19 0.510 -19.052 6.920 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.397 -18.151 6.759 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -1.880 -19.725 7.331 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.816 -17.147 8.556 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.302 -17.888 9.116 1.00 0.00 H new ATOM 0 HD2 ARG A 19 0.348 -19.399 8.969 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -0.185 -18.548 10.406 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.181 -20.439 9.307 1.00 0.00 H new ATOM 0 HH11 ARG A 19 0.539 -19.976 11.536 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.106 -21.360 12.543 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.744 -22.228 10.611 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.758 -22.639 12.018 1.00 0.00 H new ATOM 286 N ASN A 20 -1.018 -18.528 4.084 1.00 0.00 N ATOM 287 CA ASN A 20 -1.288 -19.075 2.765 1.00 0.00 C ATOM 288 C ASN A 20 -0.850 -18.067 1.700 1.00 0.00 C ATOM 289 O ASN A 20 -0.291 -17.020 2.024 1.00 0.00 O ATOM 290 CB ASN A 20 -2.783 -19.342 2.575 1.00 0.00 C ATOM 291 CG ASN A 20 -3.294 -20.354 3.603 1.00 0.00 C ATOM 292 OD1 ASN A 20 -3.257 -21.556 3.400 1.00 0.00 O ATOM 293 ND2 ASN A 20 -3.770 -19.801 4.715 1.00 0.00 N ATOM 0 H ASN A 20 -1.217 -17.532 4.182 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.739 -20.012 2.670 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -3.338 -18.409 2.671 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.964 -19.718 1.568 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -4.134 -20.391 5.463 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -3.771 -18.786 4.820 1.00 0.00 H new ATOM 300 N ALA A 21 -1.119 -18.419 0.451 1.00 0.00 N ATOM 301 CA ALA A 21 -0.758 -17.559 -0.663 1.00 0.00 C ATOM 302 C ALA A 21 -1.575 -16.268 -0.589 1.00 0.00 C ATOM 303 O ALA A 21 -1.022 -15.173 -0.681 1.00 0.00 O ATOM 304 CB ALA A 21 -0.973 -18.311 -1.978 1.00 0.00 C ATOM 0 H ALA A 21 -1.583 -19.288 0.186 1.00 0.00 H new ATOM 0 HA ALA A 21 0.296 -17.286 -0.612 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.702 -17.666 -2.814 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.349 -19.205 -1.992 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -2.021 -18.598 -2.066 1.00 0.00 H new ATOM 310 N ASN A 22 -2.879 -16.438 -0.424 1.00 0.00 N ATOM 311 CA ASN A 22 -3.777 -15.300 -0.337 1.00 0.00 C ATOM 312 C ASN A 22 -3.185 -14.260 0.617 1.00 0.00 C ATOM 313 O ASN A 22 -3.408 -13.062 0.450 1.00 0.00 O ATOM 314 CB ASN A 22 -5.144 -15.717 0.208 1.00 0.00 C ATOM 315 CG ASN A 22 -4.995 -16.725 1.350 1.00 0.00 C ATOM 316 OD1 ASN A 22 -4.706 -16.379 2.484 1.00 0.00 O ATOM 317 ND2 ASN A 22 -5.206 -17.987 0.989 1.00 0.00 N ATOM 0 H ASN A 22 -3.335 -17.347 -0.348 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.898 -14.889 -1.339 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -5.682 -14.838 0.562 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -5.741 -16.155 -0.592 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.129 -18.734 1.679 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.445 -18.208 0.022 1.00 0.00 H new ATOM 324 N GLU A 23 -2.442 -14.756 1.595 1.00 0.00 N ATOM 325 CA GLU A 23 -1.817 -13.885 2.575 1.00 0.00 C ATOM 326 C GLU A 23 -0.406 -13.502 2.122 1.00 0.00 C ATOM 327 O GLU A 23 0.233 -14.245 1.378 1.00 0.00 O ATOM 328 CB GLU A 23 -1.789 -14.544 3.956 1.00 0.00 C ATOM 329 CG GLU A 23 -3.182 -14.551 4.588 1.00 0.00 C ATOM 330 CD GLU A 23 -3.237 -15.506 5.782 1.00 0.00 C ATOM 331 OE1 GLU A 23 -3.507 -16.702 5.540 1.00 0.00 O ATOM 332 OE2 GLU A 23 -3.009 -15.019 6.910 1.00 0.00 O ATOM 0 H GLU A 23 -2.259 -15.750 1.730 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.412 -12.975 2.655 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.421 -15.566 3.868 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.094 -14.010 4.604 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -3.444 -13.543 4.911 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.921 -14.849 3.845 1.00 0.00 H new ATOM 339 N LEU A 24 0.037 -12.344 2.588 1.00 0.00 N ATOM 340 CA LEU A 24 1.360 -11.854 2.240 1.00 0.00 C ATOM 341 C LEU A 24 2.266 -11.927 3.470 1.00 0.00 C ATOM 342 O LEU A 24 1.843 -11.599 4.578 1.00 0.00 O ATOM 343 CB LEU A 24 1.268 -10.456 1.625 1.00 0.00 C ATOM 344 CG LEU A 24 2.390 -10.073 0.658 1.00 0.00 C ATOM 345 CD1 LEU A 24 2.259 -10.834 -0.662 1.00 0.00 C ATOM 346 CD2 LEU A 24 2.438 -8.559 0.445 1.00 0.00 C ATOM 0 H LEU A 24 -0.497 -11.731 3.204 1.00 0.00 H new ATOM 0 HA LEU A 24 1.811 -12.485 1.474 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.317 -10.375 1.098 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.247 -9.726 2.434 1.00 0.00 H new ATOM 0 HG LEU A 24 3.340 -10.365 1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.069 -10.543 -1.331 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.313 -11.906 -0.471 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.302 -10.596 -1.126 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.244 -8.314 -0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.489 -8.220 0.030 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.615 -8.063 1.399 1.00 0.00 H new ATOM 358 N SER A 25 3.496 -12.359 3.234 1.00 0.00 N ATOM 359 CA SER A 25 4.466 -12.479 4.310 1.00 0.00 C ATOM 360 C SER A 25 5.317 -11.210 4.391 1.00 0.00 C ATOM 361 O SER A 25 6.023 -10.870 3.443 1.00 0.00 O ATOM 362 CB SER A 25 5.359 -13.705 4.111 1.00 0.00 C ATOM 363 OG SER A 25 5.752 -13.865 2.751 1.00 0.00 O ATOM 0 H SER A 25 3.843 -12.630 2.314 1.00 0.00 H new ATOM 0 HA SER A 25 3.924 -12.606 5.247 1.00 0.00 H new ATOM 0 HB2 SER A 25 6.247 -13.612 4.736 1.00 0.00 H new ATOM 0 HB3 SER A 25 4.828 -14.598 4.442 1.00 0.00 H new ATOM 0 HG SER A 25 6.005 -12.994 2.379 1.00 0.00 H new ATOM 369 N VAL A 26 5.223 -10.545 5.533 1.00 0.00 N ATOM 370 CA VAL A 26 5.975 -9.321 5.751 1.00 0.00 C ATOM 371 C VAL A 26 6.733 -9.423 7.075 1.00 0.00 C ATOM 372 O VAL A 26 6.577 -10.396 7.812 1.00 0.00 O ATOM 373 CB VAL A 26 5.038 -8.113 5.689 1.00 0.00 C ATOM 374 CG1 VAL A 26 4.374 -8.004 4.315 1.00 0.00 C ATOM 375 CG2 VAL A 26 3.990 -8.175 6.802 1.00 0.00 C ATOM 0 H VAL A 26 4.637 -10.831 6.318 1.00 0.00 H new ATOM 0 HA VAL A 26 6.715 -9.181 4.963 1.00 0.00 H new ATOM 0 HB VAL A 26 5.637 -7.216 5.843 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.713 -7.137 4.298 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.141 -7.891 3.548 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.794 -8.906 4.118 1.00 0.00 H new ATOM 0 HG21 VAL A 26 3.337 -7.305 6.736 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.397 -9.083 6.693 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.489 -8.181 7.771 1.00 0.00 H new ATOM 385 N LEU A 27 7.539 -8.404 7.339 1.00 0.00 N ATOM 386 CA LEU A 27 8.322 -8.367 8.562 1.00 0.00 C ATOM 387 C LEU A 27 8.045 -7.055 9.300 1.00 0.00 C ATOM 388 O LEU A 27 7.276 -6.222 8.824 1.00 0.00 O ATOM 389 CB LEU A 27 9.803 -8.600 8.258 1.00 0.00 C ATOM 390 CG LEU A 27 10.243 -10.061 8.146 1.00 0.00 C ATOM 391 CD1 LEU A 27 11.636 -10.168 7.523 1.00 0.00 C ATOM 392 CD2 LEU A 27 10.167 -10.762 9.504 1.00 0.00 C ATOM 0 H LEU A 27 7.666 -7.598 6.727 1.00 0.00 H new ATOM 0 HA LEU A 27 8.026 -9.177 9.228 1.00 0.00 H new ATOM 0 HB2 LEU A 27 10.045 -8.096 7.323 1.00 0.00 H new ATOM 0 HB3 LEU A 27 10.393 -8.122 9.040 1.00 0.00 H new ATOM 0 HG LEU A 27 9.552 -10.576 7.479 1.00 0.00 H new ATOM 0 HD11 LEU A 27 11.925 -11.217 7.455 1.00 0.00 H new ATOM 0 HD12 LEU A 27 11.623 -9.730 6.525 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.355 -9.634 8.144 1.00 0.00 H new ATOM 0 HD21 LEU A 27 10.485 -11.799 9.396 1.00 0.00 H new ATOM 0 HD22 LEU A 27 10.821 -10.254 10.213 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.141 -10.733 9.871 1.00 0.00 H new ATOM 404 N LYS A 28 8.688 -6.913 10.450 1.00 0.00 N ATOM 405 CA LYS A 28 8.520 -5.717 11.258 1.00 0.00 C ATOM 406 C LYS A 28 9.439 -4.615 10.726 1.00 0.00 C ATOM 407 O LYS A 28 10.569 -4.885 10.324 1.00 0.00 O ATOM 408 CB LYS A 28 8.735 -6.036 12.739 1.00 0.00 C ATOM 409 CG LYS A 28 8.662 -4.767 13.590 1.00 0.00 C ATOM 410 CD LYS A 28 9.587 -4.867 14.804 1.00 0.00 C ATOM 411 CE LYS A 28 8.906 -4.317 16.059 1.00 0.00 C ATOM 412 NZ LYS A 28 9.755 -3.290 16.702 1.00 0.00 N ATOM 0 H LYS A 28 9.326 -7.606 10.841 1.00 0.00 H new ATOM 0 HA LYS A 28 7.498 -5.345 11.181 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.980 -6.747 13.075 1.00 0.00 H new ATOM 0 HB3 LYS A 28 9.705 -6.514 12.875 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.941 -3.903 12.986 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.636 -4.606 13.922 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.870 -5.907 14.966 1.00 0.00 H new ATOM 0 HD3 LYS A 28 10.506 -4.313 14.612 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.940 -3.886 15.796 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.713 -5.129 16.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.278 -2.927 17.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.667 -3.712 16.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 9.918 -2.508 16.036 1.00 0.00 H new ATOM 426 N ASP A 29 8.918 -3.396 10.742 1.00 0.00 N ATOM 427 CA ASP A 29 9.678 -2.253 10.266 1.00 0.00 C ATOM 428 C ASP A 29 9.764 -2.302 8.740 1.00 0.00 C ATOM 429 O ASP A 29 10.703 -1.770 8.150 1.00 0.00 O ATOM 430 CB ASP A 29 11.103 -2.269 10.821 1.00 0.00 C ATOM 431 CG ASP A 29 11.518 -1.004 11.576 1.00 0.00 C ATOM 432 OD1 ASP A 29 10.640 -0.443 12.267 1.00 0.00 O ATOM 433 OD2 ASP A 29 12.703 -0.628 11.446 1.00 0.00 O ATOM 0 H ASP A 29 7.980 -3.176 11.077 1.00 0.00 H new ATOM 0 HA ASP A 29 9.171 -1.348 10.601 1.00 0.00 H new ATOM 0 HB2 ASP A 29 11.207 -3.123 11.490 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.797 -2.425 9.995 1.00 0.00 H new ATOM 438 N GLU A 30 8.771 -2.946 8.143 1.00 0.00 N ATOM 439 CA GLU A 30 8.723 -3.072 6.696 1.00 0.00 C ATOM 440 C GLU A 30 7.665 -2.131 6.117 1.00 0.00 C ATOM 441 O GLU A 30 6.748 -1.712 6.822 1.00 0.00 O ATOM 442 CB GLU A 30 8.456 -4.520 6.281 1.00 0.00 C ATOM 443 CG GLU A 30 9.763 -5.247 5.957 1.00 0.00 C ATOM 444 CD GLU A 30 9.498 -6.513 5.141 1.00 0.00 C ATOM 445 OE1 GLU A 30 8.413 -6.574 4.522 1.00 0.00 O ATOM 446 OE2 GLU A 30 10.386 -7.393 5.153 1.00 0.00 O ATOM 0 H GLU A 30 7.994 -3.386 8.635 1.00 0.00 H new ATOM 0 HA GLU A 30 9.695 -2.787 6.293 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.935 -5.042 7.083 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.800 -4.538 5.410 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.424 -4.583 5.400 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.278 -5.507 6.882 1.00 0.00 H new ATOM 453 N VAL A 31 7.827 -1.826 4.837 1.00 0.00 N ATOM 454 CA VAL A 31 6.897 -0.943 4.155 1.00 0.00 C ATOM 455 C VAL A 31 6.479 -1.577 2.827 1.00 0.00 C ATOM 456 O VAL A 31 7.307 -1.766 1.937 1.00 0.00 O ATOM 457 CB VAL A 31 7.521 0.444 3.985 1.00 0.00 C ATOM 458 CG1 VAL A 31 6.629 1.345 3.129 1.00 0.00 C ATOM 459 CG2 VAL A 31 7.807 1.086 5.344 1.00 0.00 C ATOM 0 H VAL A 31 8.589 -2.175 4.255 1.00 0.00 H new ATOM 0 HA VAL A 31 5.993 -0.808 4.749 1.00 0.00 H new ATOM 0 HB VAL A 31 8.471 0.323 3.465 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.095 2.325 3.024 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.498 0.897 2.144 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.657 1.456 3.609 1.00 0.00 H new ATOM 0 HG21 VAL A 31 8.250 2.071 5.195 1.00 0.00 H new ATOM 0 HG22 VAL A 31 6.876 1.188 5.902 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.499 0.458 5.905 1.00 0.00 H new ATOM 469 N LEU A 32 5.194 -1.888 2.735 1.00 0.00 N ATOM 470 CA LEU A 32 4.657 -2.497 1.530 1.00 0.00 C ATOM 471 C LEU A 32 3.845 -1.457 0.756 1.00 0.00 C ATOM 472 O LEU A 32 3.718 -0.314 1.193 1.00 0.00 O ATOM 473 CB LEU A 32 3.867 -3.761 1.875 1.00 0.00 C ATOM 474 CG LEU A 32 4.661 -4.889 2.537 1.00 0.00 C ATOM 475 CD1 LEU A 32 5.819 -5.341 1.645 1.00 0.00 C ATOM 476 CD2 LEU A 32 5.138 -4.479 3.931 1.00 0.00 C ATOM 0 H LEU A 32 4.510 -1.730 3.475 1.00 0.00 H new ATOM 0 HA LEU A 32 5.465 -2.822 0.875 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.047 -3.483 2.537 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.420 -4.147 0.959 1.00 0.00 H new ATOM 0 HG LEU A 32 3.998 -5.745 2.663 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.367 -6.143 2.139 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.427 -5.701 0.694 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.490 -4.501 1.466 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.700 -5.299 4.379 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.779 -3.601 3.853 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.276 -4.245 4.556 1.00 0.00 H new ATOM 488 N GLU A 33 3.316 -1.890 -0.379 1.00 0.00 N ATOM 489 CA GLU A 33 2.520 -1.010 -1.217 1.00 0.00 C ATOM 490 C GLU A 33 1.039 -1.385 -1.125 1.00 0.00 C ATOM 491 O GLU A 33 0.638 -2.457 -1.576 1.00 0.00 O ATOM 492 CB GLU A 33 3.006 -1.046 -2.667 1.00 0.00 C ATOM 493 CG GLU A 33 2.082 -0.232 -3.576 1.00 0.00 C ATOM 494 CD GLU A 33 2.889 0.585 -4.587 1.00 0.00 C ATOM 495 OE1 GLU A 33 3.964 0.090 -4.988 1.00 0.00 O ATOM 496 OE2 GLU A 33 2.412 1.687 -4.935 1.00 0.00 O ATOM 0 H GLU A 33 3.423 -2.839 -0.738 1.00 0.00 H new ATOM 0 HA GLU A 33 2.639 0.011 -0.854 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.020 -0.650 -2.724 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.047 -2.078 -3.015 1.00 0.00 H new ATOM 0 HG2 GLU A 33 1.403 -0.902 -4.104 1.00 0.00 H new ATOM 0 HG3 GLU A 33 1.467 0.435 -2.972 1.00 0.00 H new ATOM 503 N VAL A 34 0.268 -0.482 -0.538 1.00 0.00 N ATOM 504 CA VAL A 34 -1.159 -0.705 -0.382 1.00 0.00 C ATOM 505 C VAL A 34 -1.843 -0.582 -1.745 1.00 0.00 C ATOM 506 O VAL A 34 -1.604 0.376 -2.479 1.00 0.00 O ATOM 507 CB VAL A 34 -1.728 0.258 0.662 1.00 0.00 C ATOM 508 CG1 VAL A 34 -1.771 1.689 0.121 1.00 0.00 C ATOM 509 CG2 VAL A 34 -3.114 -0.193 1.128 1.00 0.00 C ATOM 0 H VAL A 34 0.604 0.406 -0.165 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.350 -1.713 -0.013 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.064 0.245 1.526 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.179 2.354 0.882 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.762 2.010 -0.138 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.402 1.723 -0.767 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.495 0.509 1.870 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.792 -0.224 0.275 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.043 -1.186 1.571 1.00 0.00 H new ATOM 519 N LEU A 35 -2.680 -1.565 -2.042 1.00 0.00 N ATOM 520 CA LEU A 35 -3.400 -1.578 -3.304 1.00 0.00 C ATOM 521 C LEU A 35 -4.900 -1.455 -3.032 1.00 0.00 C ATOM 522 O LEU A 35 -5.595 -0.688 -3.698 1.00 0.00 O ATOM 523 CB LEU A 35 -3.023 -2.815 -4.123 1.00 0.00 C ATOM 524 CG LEU A 35 -1.575 -3.291 -3.991 1.00 0.00 C ATOM 525 CD1 LEU A 35 -1.409 -4.704 -4.555 1.00 0.00 C ATOM 526 CD2 LEU A 35 -0.610 -2.298 -4.642 1.00 0.00 C ATOM 0 H LEU A 35 -2.876 -2.358 -1.431 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.115 -0.721 -3.914 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.682 -3.633 -3.832 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.221 -2.605 -5.174 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.325 -3.335 -2.931 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -0.371 -5.018 -4.449 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.054 -5.392 -4.009 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.684 -4.709 -5.610 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.412 -2.660 -4.534 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.850 -2.198 -5.701 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.704 -1.327 -4.156 1.00 0.00 H new ATOM 538 N GLU A 36 -5.357 -2.221 -2.052 1.00 0.00 N ATOM 539 CA GLU A 36 -6.762 -2.207 -1.683 1.00 0.00 C ATOM 540 C GLU A 36 -6.921 -1.816 -0.213 1.00 0.00 C ATOM 541 O GLU A 36 -6.346 -2.453 0.669 1.00 0.00 O ATOM 542 CB GLU A 36 -7.416 -3.561 -1.964 1.00 0.00 C ATOM 543 CG GLU A 36 -8.384 -3.468 -3.146 1.00 0.00 C ATOM 544 CD GLU A 36 -9.412 -4.601 -3.103 1.00 0.00 C ATOM 545 OE1 GLU A 36 -10.210 -4.607 -2.142 1.00 0.00 O ATOM 546 OE2 GLU A 36 -9.375 -5.435 -4.034 1.00 0.00 O ATOM 0 H GLU A 36 -4.778 -2.856 -1.502 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.270 -1.461 -2.294 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.647 -4.303 -2.177 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.951 -3.902 -1.077 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.896 -2.506 -3.126 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.827 -3.513 -4.082 1.00 0.00 H new ATOM 553 N ASP A 37 -7.704 -0.769 0.007 1.00 0.00 N ATOM 554 CA ASP A 37 -7.946 -0.286 1.356 1.00 0.00 C ATOM 555 C ASP A 37 -9.453 -0.143 1.579 1.00 0.00 C ATOM 556 O ASP A 37 -10.243 -0.364 0.663 1.00 0.00 O ATOM 557 CB ASP A 37 -7.303 1.086 1.572 1.00 0.00 C ATOM 558 CG ASP A 37 -8.133 2.273 1.082 1.00 0.00 C ATOM 559 OD1 ASP A 37 -8.944 2.772 1.891 1.00 0.00 O ATOM 560 OD2 ASP A 37 -7.938 2.656 -0.092 1.00 0.00 O ATOM 0 H ASP A 37 -8.179 -0.242 -0.726 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.512 -1.002 2.054 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.106 1.215 2.636 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.338 1.102 1.065 1.00 0.00 H new ATOM 565 N GLY A 38 -9.805 0.226 2.802 1.00 0.00 N ATOM 566 CA GLY A 38 -11.203 0.402 3.157 1.00 0.00 C ATOM 567 C GLY A 38 -11.935 -0.942 3.181 1.00 0.00 C ATOM 568 O GLY A 38 -13.162 -0.985 3.109 1.00 0.00 O ATOM 0 H GLY A 38 -9.146 0.408 3.559 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.277 0.878 4.135 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.683 1.069 2.441 1.00 0.00 H new ATOM 572 N ARG A 39 -11.151 -2.005 3.281 1.00 0.00 N ATOM 573 CA ARG A 39 -11.710 -3.346 3.315 1.00 0.00 C ATOM 574 C ARG A 39 -11.169 -4.116 4.522 1.00 0.00 C ATOM 575 O ARG A 39 -10.168 -3.720 5.118 1.00 0.00 O ATOM 576 CB ARG A 39 -11.374 -4.115 2.036 1.00 0.00 C ATOM 577 CG ARG A 39 -12.468 -5.133 1.705 1.00 0.00 C ATOM 578 CD ARG A 39 -13.052 -4.877 0.314 1.00 0.00 C ATOM 579 NE ARG A 39 -14.310 -5.638 0.146 1.00 0.00 N ATOM 580 CZ ARG A 39 -15.487 -5.269 0.670 1.00 0.00 C ATOM 581 NH1 ARG A 39 -15.573 -4.148 1.399 1.00 0.00 N ATOM 582 NH2 ARG A 39 -16.577 -6.020 0.466 1.00 0.00 N ATOM 0 H ARG A 39 -10.133 -1.965 3.340 1.00 0.00 H new ATOM 0 HA ARG A 39 -12.793 -3.252 3.395 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -11.259 -3.417 1.207 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -10.419 -4.627 2.156 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -12.057 -6.142 1.751 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -13.260 -5.077 2.452 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -13.241 -3.812 0.180 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -12.334 -5.172 -0.451 1.00 0.00 H new ATOM 0 HE ARG A 39 -14.279 -6.497 -0.403 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -14.743 -3.576 1.555 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -16.469 -3.867 1.798 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -16.512 -6.874 -0.089 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -17.472 -5.738 0.865 1.00 0.00 H new ATOM 596 N GLN A 40 -11.854 -5.202 4.847 1.00 0.00 N ATOM 597 CA GLN A 40 -11.455 -6.031 5.971 1.00 0.00 C ATOM 598 C GLN A 40 -9.930 -6.139 6.036 1.00 0.00 C ATOM 599 O GLN A 40 -9.305 -5.613 6.955 1.00 0.00 O ATOM 600 CB GLN A 40 -12.101 -7.416 5.888 1.00 0.00 C ATOM 601 CG GLN A 40 -13.366 -7.483 6.746 1.00 0.00 C ATOM 602 CD GLN A 40 -13.554 -8.882 7.336 1.00 0.00 C ATOM 603 OE1 GLN A 40 -13.932 -9.824 6.659 1.00 0.00 O ATOM 604 NE2 GLN A 40 -13.270 -8.965 8.633 1.00 0.00 N ATOM 0 H GLN A 40 -12.684 -5.527 4.351 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.805 -5.558 6.889 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -12.348 -7.645 4.851 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -11.391 -8.173 6.221 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -13.303 -6.750 7.551 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.234 -7.219 6.142 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.958 -8.137 9.141 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.364 -9.856 9.120 1.00 0.00 H new ATOM 613 N TRP A 41 -9.376 -6.826 5.047 1.00 0.00 N ATOM 614 CA TRP A 41 -7.936 -7.010 4.980 1.00 0.00 C ATOM 615 C TRP A 41 -7.414 -6.220 3.779 1.00 0.00 C ATOM 616 O TRP A 41 -8.024 -6.231 2.711 1.00 0.00 O ATOM 617 CB TRP A 41 -7.576 -8.496 4.921 1.00 0.00 C ATOM 618 CG TRP A 41 -7.738 -9.230 6.253 1.00 0.00 C ATOM 619 CD1 TRP A 41 -8.729 -9.107 7.147 1.00 0.00 C ATOM 620 CD2 TRP A 41 -6.838 -10.211 6.810 1.00 0.00 C ATOM 621 NE1 TRP A 41 -8.535 -9.934 8.235 1.00 0.00 N ATOM 622 CE2 TRP A 41 -7.348 -10.627 8.023 1.00 0.00 C ATOM 623 CE3 TRP A 41 -5.634 -10.730 6.305 1.00 0.00 C ATOM 624 CZ2 TRP A 41 -6.719 -11.580 8.833 1.00 0.00 C ATOM 625 CZ3 TRP A 41 -5.017 -11.682 7.126 1.00 0.00 C ATOM 626 CH2 TRP A 41 -5.518 -12.111 8.350 1.00 0.00 C ATOM 0 H TRP A 41 -9.898 -7.261 4.286 1.00 0.00 H new ATOM 0 HA TRP A 41 -7.456 -6.630 5.882 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -8.202 -8.981 4.172 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -6.543 -8.596 4.586 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -9.574 -8.444 7.031 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -9.149 -10.021 9.045 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.217 -10.419 5.358 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -7.138 -11.889 9.779 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -4.087 -12.113 6.785 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -4.982 -12.851 8.926 1.00 0.00 H new ATOM 637 N TRP A 42 -6.289 -5.552 3.994 1.00 0.00 N ATOM 638 CA TRP A 42 -5.678 -4.758 2.942 1.00 0.00 C ATOM 639 C TRP A 42 -4.838 -5.694 2.070 1.00 0.00 C ATOM 640 O TRP A 42 -4.436 -6.768 2.514 1.00 0.00 O ATOM 641 CB TRP A 42 -4.867 -3.601 3.529 1.00 0.00 C ATOM 642 CG TRP A 42 -5.716 -2.539 4.231 1.00 0.00 C ATOM 643 CD1 TRP A 42 -7.046 -2.524 4.398 1.00 0.00 C ATOM 644 CD2 TRP A 42 -5.237 -1.330 4.856 1.00 0.00 C ATOM 645 NE1 TRP A 42 -7.456 -1.398 5.082 1.00 0.00 N ATOM 646 CE2 TRP A 42 -6.321 -0.649 5.370 1.00 0.00 C ATOM 647 CE3 TRP A 42 -3.929 -0.828 4.984 1.00 0.00 C ATOM 648 CZ2 TRP A 42 -6.210 0.572 6.046 1.00 0.00 C ATOM 649 CZ3 TRP A 42 -3.835 0.393 5.662 1.00 0.00 C ATOM 650 CH2 TRP A 42 -4.917 1.091 6.185 1.00 0.00 C ATOM 0 H TRP A 42 -5.786 -5.545 4.881 1.00 0.00 H new ATOM 0 HA TRP A 42 -6.441 -4.292 2.318 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -4.144 -4.001 4.240 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -4.299 -3.127 2.729 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.712 -3.296 4.042 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -8.416 -1.159 5.331 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.066 -1.344 4.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -7.075 1.086 6.439 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -2.852 0.823 5.788 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.761 2.029 6.696 1.00 0.00 H new ATOM 661 N LYS A 43 -4.599 -5.252 0.844 1.00 0.00 N ATOM 662 CA LYS A 43 -3.815 -6.037 -0.094 1.00 0.00 C ATOM 663 C LYS A 43 -2.532 -5.279 -0.440 1.00 0.00 C ATOM 664 O LYS A 43 -2.548 -4.369 -1.268 1.00 0.00 O ATOM 665 CB LYS A 43 -4.657 -6.409 -1.316 1.00 0.00 C ATOM 666 CG LYS A 43 -3.890 -7.355 -2.244 1.00 0.00 C ATOM 667 CD LYS A 43 -4.458 -7.311 -3.663 1.00 0.00 C ATOM 668 CE LYS A 43 -3.980 -8.511 -4.483 1.00 0.00 C ATOM 669 NZ LYS A 43 -5.127 -9.361 -4.875 1.00 0.00 N ATOM 0 H LYS A 43 -4.934 -4.361 0.479 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.515 -6.982 0.358 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -5.584 -6.883 -0.993 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.934 -5.506 -1.860 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.836 -7.077 -2.262 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.945 -8.373 -1.858 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.547 -7.305 -3.622 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.152 -6.386 -4.152 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -3.455 -8.165 -5.373 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.268 -9.096 -3.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.785 -10.171 -5.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -5.611 -9.706 -4.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.792 -8.804 -5.448 1.00 0.00 H new ATOM 683 N LEU A 44 -1.451 -5.681 0.212 1.00 0.00 N ATOM 684 CA LEU A 44 -0.162 -5.051 -0.016 1.00 0.00 C ATOM 685 C LEU A 44 0.626 -5.866 -1.043 1.00 0.00 C ATOM 686 O LEU A 44 0.257 -6.997 -1.358 1.00 0.00 O ATOM 687 CB LEU A 44 0.578 -4.850 1.308 1.00 0.00 C ATOM 688 CG LEU A 44 -0.249 -4.272 2.458 1.00 0.00 C ATOM 689 CD1 LEU A 44 -0.904 -2.950 2.052 1.00 0.00 C ATOM 690 CD2 LEU A 44 -1.275 -5.289 2.961 1.00 0.00 C ATOM 0 H LEU A 44 -1.441 -6.435 0.898 1.00 0.00 H new ATOM 0 HA LEU A 44 -0.295 -4.054 -0.435 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.982 -5.811 1.625 1.00 0.00 H new ATOM 0 HB3 LEU A 44 1.427 -4.190 1.130 1.00 0.00 H new ATOM 0 HG LEU A 44 0.424 -4.057 3.288 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.486 -2.561 2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.132 -2.230 1.780 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.561 -3.117 1.199 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.849 -4.853 3.778 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.949 -5.559 2.148 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.759 -6.181 3.316 1.00 0.00 H new ATOM 702 N ARG A 45 1.696 -5.262 -1.537 1.00 0.00 N ATOM 703 CA ARG A 45 2.539 -5.918 -2.522 1.00 0.00 C ATOM 704 C ARG A 45 4.016 -5.682 -2.199 1.00 0.00 C ATOM 705 O ARG A 45 4.459 -4.538 -2.105 1.00 0.00 O ATOM 706 CB ARG A 45 2.243 -5.401 -3.931 1.00 0.00 C ATOM 707 CG ARG A 45 3.102 -6.124 -4.972 1.00 0.00 C ATOM 708 CD ARG A 45 3.561 -5.161 -6.068 1.00 0.00 C ATOM 709 NE ARG A 45 4.376 -4.075 -5.479 1.00 0.00 N ATOM 710 CZ ARG A 45 5.202 -3.289 -6.184 1.00 0.00 C ATOM 711 NH1 ARG A 45 5.326 -3.463 -7.507 1.00 0.00 N ATOM 712 NH2 ARG A 45 5.903 -2.329 -5.565 1.00 0.00 N ATOM 0 H ARG A 45 1.999 -4.324 -1.273 1.00 0.00 H new ATOM 0 HA ARG A 45 2.322 -6.986 -2.486 1.00 0.00 H new ATOM 0 HB2 ARG A 45 1.187 -5.546 -4.161 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.435 -4.329 -3.977 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.971 -6.569 -4.486 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.532 -6.940 -5.416 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.143 -5.699 -6.816 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.695 -4.741 -6.580 1.00 0.00 H new ATOM 0 HE ARG A 45 4.305 -3.915 -4.474 1.00 0.00 H new ATOM 0 HH11 ARG A 45 4.792 -4.194 -7.978 1.00 0.00 H new ATOM 0 HH12 ARG A 45 5.954 -2.865 -8.043 1.00 0.00 H new ATOM 0 HH21 ARG A 45 5.808 -2.197 -4.558 1.00 0.00 H new ATOM 0 HH22 ARG A 45 6.532 -1.731 -6.101 1.00 0.00 H new ATOM 726 N SER A 46 4.736 -6.782 -2.037 1.00 0.00 N ATOM 727 CA SER A 46 6.154 -6.709 -1.727 1.00 0.00 C ATOM 728 C SER A 46 6.940 -6.276 -2.966 1.00 0.00 C ATOM 729 O SER A 46 6.397 -6.244 -4.070 1.00 0.00 O ATOM 730 CB SER A 46 6.674 -8.052 -1.211 1.00 0.00 C ATOM 731 OG SER A 46 7.973 -7.936 -0.637 1.00 0.00 O ATOM 0 H SER A 46 4.364 -7.729 -2.114 1.00 0.00 H new ATOM 0 HA SER A 46 6.294 -5.968 -0.940 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.983 -8.447 -0.467 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.703 -8.769 -2.031 1.00 0.00 H new ATOM 0 HG SER A 46 8.269 -8.814 -0.318 1.00 0.00 H new ATOM 737 N ARG A 47 8.205 -5.955 -2.743 1.00 0.00 N ATOM 738 CA ARG A 47 9.071 -5.526 -3.828 1.00 0.00 C ATOM 739 C ARG A 47 9.414 -6.710 -4.734 1.00 0.00 C ATOM 740 O ARG A 47 9.868 -6.523 -5.861 1.00 0.00 O ATOM 741 CB ARG A 47 10.366 -4.913 -3.290 1.00 0.00 C ATOM 742 CG ARG A 47 10.073 -3.684 -2.427 1.00 0.00 C ATOM 743 CD ARG A 47 9.427 -2.572 -3.257 1.00 0.00 C ATOM 744 NE ARG A 47 9.936 -1.253 -2.820 1.00 0.00 N ATOM 745 CZ ARG A 47 11.122 -0.747 -3.184 1.00 0.00 C ATOM 746 NH1 ARG A 47 11.929 -1.446 -3.993 1.00 0.00 N ATOM 747 NH2 ARG A 47 11.501 0.459 -2.739 1.00 0.00 N ATOM 0 H ARG A 47 8.652 -5.983 -1.827 1.00 0.00 H new ATOM 0 HA ARG A 47 8.534 -4.769 -4.401 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.907 -5.654 -2.702 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.013 -4.632 -4.121 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.411 -3.961 -1.606 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.998 -3.319 -1.981 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.645 -2.723 -4.314 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.343 -2.607 -3.147 1.00 0.00 H new ATOM 0 HE ARG A 47 9.347 -0.694 -2.203 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.641 -2.364 -4.332 1.00 0.00 H new ATOM 0 HH12 ARG A 47 12.832 -1.060 -4.270 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.887 0.992 -2.123 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.404 0.844 -3.016 1.00 0.00 H new ATOM 761 N SER A 48 9.184 -7.904 -4.206 1.00 0.00 N ATOM 762 CA SER A 48 9.462 -9.118 -4.953 1.00 0.00 C ATOM 763 C SER A 48 8.473 -9.259 -6.112 1.00 0.00 C ATOM 764 O SER A 48 8.759 -9.934 -7.099 1.00 0.00 O ATOM 765 CB SER A 48 9.397 -10.349 -4.047 1.00 0.00 C ATOM 766 OG SER A 48 10.496 -10.404 -3.142 1.00 0.00 O ATOM 0 H SER A 48 8.808 -8.056 -3.270 1.00 0.00 H new ATOM 0 HA SER A 48 10.473 -9.048 -5.354 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.464 -10.336 -3.484 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.387 -11.250 -4.660 1.00 0.00 H new ATOM 0 HG SER A 48 10.417 -11.203 -2.580 1.00 0.00 H new ATOM 772 N GLY A 49 7.328 -8.611 -5.952 1.00 0.00 N ATOM 773 CA GLY A 49 6.295 -8.655 -6.973 1.00 0.00 C ATOM 774 C GLY A 49 5.122 -9.531 -6.527 1.00 0.00 C ATOM 775 O GLY A 49 4.310 -9.952 -7.349 1.00 0.00 O ATOM 0 H GLY A 49 7.093 -8.053 -5.131 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.941 -7.645 -7.181 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.712 -9.045 -7.902 1.00 0.00 H new ATOM 779 N GLN A 50 5.071 -9.780 -5.227 1.00 0.00 N ATOM 780 CA GLN A 50 4.011 -10.599 -4.662 1.00 0.00 C ATOM 781 C GLN A 50 2.928 -9.712 -4.046 1.00 0.00 C ATOM 782 O GLN A 50 3.206 -8.594 -3.615 1.00 0.00 O ATOM 783 CB GLN A 50 4.568 -11.582 -3.631 1.00 0.00 C ATOM 784 CG GLN A 50 5.245 -12.771 -4.316 1.00 0.00 C ATOM 785 CD GLN A 50 6.747 -12.791 -4.021 1.00 0.00 C ATOM 786 OE1 GLN A 50 7.207 -12.357 -2.978 1.00 0.00 O ATOM 787 NE2 GLN A 50 7.482 -13.317 -4.996 1.00 0.00 N ATOM 0 H GLN A 50 5.747 -9.429 -4.548 1.00 0.00 H new ATOM 0 HA GLN A 50 3.562 -11.183 -5.465 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.285 -11.072 -2.988 1.00 0.00 H new ATOM 0 HB3 GLN A 50 3.761 -11.938 -2.990 1.00 0.00 H new ATOM 0 HG2 GLN A 50 4.791 -13.700 -3.972 1.00 0.00 H new ATOM 0 HG3 GLN A 50 5.083 -12.716 -5.392 1.00 0.00 H new ATOM 0 HE21 GLN A 50 7.032 -13.662 -5.844 1.00 0.00 H new ATOM 0 HE22 GLN A 50 8.495 -13.375 -4.896 1.00 0.00 H new ATOM 796 N ALA A 51 1.714 -10.245 -4.023 1.00 0.00 N ATOM 797 CA ALA A 51 0.587 -9.516 -3.467 1.00 0.00 C ATOM 798 C ALA A 51 -0.297 -10.481 -2.675 1.00 0.00 C ATOM 799 O ALA A 51 -0.649 -11.552 -3.167 1.00 0.00 O ATOM 800 CB ALA A 51 -0.175 -8.817 -4.594 1.00 0.00 C ATOM 0 H ALA A 51 1.487 -11.173 -4.381 1.00 0.00 H new ATOM 0 HA ALA A 51 0.930 -8.744 -2.779 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.021 -8.270 -4.177 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.490 -8.122 -5.106 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.538 -9.561 -5.303 1.00 0.00 H new ATOM 806 N GLY A 52 -0.632 -10.066 -1.462 1.00 0.00 N ATOM 807 CA GLY A 52 -1.470 -10.880 -0.597 1.00 0.00 C ATOM 808 C GLY A 52 -2.302 -10.005 0.342 1.00 0.00 C ATOM 809 O GLY A 52 -2.156 -8.784 0.351 1.00 0.00 O ATOM 0 H GLY A 52 -0.338 -9.177 -1.058 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.131 -11.500 -1.203 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.846 -11.556 -0.012 1.00 0.00 H new ATOM 813 N TYR A 53 -3.158 -10.664 1.109 1.00 0.00 N ATOM 814 CA TYR A 53 -4.014 -9.962 2.050 1.00 0.00 C ATOM 815 C TYR A 53 -3.519 -10.148 3.486 1.00 0.00 C ATOM 816 O TYR A 53 -3.040 -11.221 3.847 1.00 0.00 O ATOM 817 CB TYR A 53 -5.399 -10.597 1.915 1.00 0.00 C ATOM 818 CG TYR A 53 -6.172 -10.144 0.674 1.00 0.00 C ATOM 819 CD1 TYR A 53 -6.597 -8.836 0.565 1.00 0.00 C ATOM 820 CD2 TYR A 53 -6.445 -11.045 -0.335 1.00 0.00 C ATOM 821 CE1 TYR A 53 -7.325 -8.410 -0.602 1.00 0.00 C ATOM 822 CE2 TYR A 53 -7.173 -10.619 -1.503 1.00 0.00 C ATOM 823 CZ TYR A 53 -7.577 -9.323 -1.579 1.00 0.00 C ATOM 824 OH TYR A 53 -8.264 -8.920 -2.681 1.00 0.00 O ATOM 0 H TYR A 53 -3.277 -11.677 1.098 1.00 0.00 H new ATOM 0 HA TYR A 53 -4.022 -8.893 1.838 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -5.289 -11.681 1.887 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.985 -10.359 2.803 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.384 -8.131 1.355 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -6.113 -12.069 -0.249 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -7.663 -7.389 -0.700 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.393 -11.314 -2.300 1.00 0.00 H new ATOM 0 HH TYR A 53 -8.370 -9.676 -3.295 1.00 0.00 H new ATOM 834 N VAL A 54 -3.652 -9.085 4.266 1.00 0.00 N ATOM 835 CA VAL A 54 -3.224 -9.117 5.654 1.00 0.00 C ATOM 836 C VAL A 54 -4.183 -8.274 6.498 1.00 0.00 C ATOM 837 O VAL A 54 -4.949 -7.476 5.962 1.00 0.00 O ATOM 838 CB VAL A 54 -1.769 -8.657 5.764 1.00 0.00 C ATOM 839 CG1 VAL A 54 -0.813 -9.851 5.732 1.00 0.00 C ATOM 840 CG2 VAL A 54 -1.427 -7.651 4.663 1.00 0.00 C ATOM 0 H VAL A 54 -4.050 -8.196 3.963 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.259 -10.135 6.041 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.648 -8.156 6.724 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.215 -9.497 5.812 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.033 -10.516 6.567 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.938 -10.392 4.794 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.387 -7.340 4.764 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.574 -8.115 3.688 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.076 -6.780 4.752 1.00 0.00 H new ATOM 850 N PRO A 55 -4.106 -8.487 7.839 1.00 0.00 N ATOM 851 CA PRO A 55 -4.957 -7.757 8.763 1.00 0.00 C ATOM 852 C PRO A 55 -4.475 -6.314 8.929 1.00 0.00 C ATOM 853 O PRO A 55 -3.273 -6.056 8.950 1.00 0.00 O ATOM 854 CB PRO A 55 -4.907 -8.552 10.057 1.00 0.00 C ATOM 855 CG PRO A 55 -3.673 -9.433 9.957 1.00 0.00 C ATOM 856 CD PRO A 55 -3.209 -9.425 8.509 1.00 0.00 C ATOM 0 HA PRO A 55 -5.983 -7.666 8.407 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.845 -7.889 10.920 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.807 -9.154 10.181 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.885 -9.062 10.612 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.902 -10.449 10.279 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -2.170 -9.106 8.428 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.273 -10.419 8.067 1.00 0.00 H new ATOM 864 N CYS A 56 -5.439 -5.411 9.042 1.00 0.00 N ATOM 865 CA CYS A 56 -5.128 -4.001 9.205 1.00 0.00 C ATOM 866 C CYS A 56 -4.753 -3.759 10.669 1.00 0.00 C ATOM 867 O CYS A 56 -4.370 -2.650 11.039 1.00 0.00 O ATOM 868 CB CYS A 56 -6.289 -3.111 8.758 1.00 0.00 C ATOM 869 SG CYS A 56 -7.806 -3.549 9.682 1.00 0.00 S ATOM 0 H CYS A 56 -6.435 -5.629 9.024 1.00 0.00 H new ATOM 0 HA CYS A 56 -4.286 -3.734 8.566 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -6.040 -2.063 8.927 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -6.458 -3.230 7.688 1.00 0.00 H new ATOM 0 HG CYS A 56 -8.785 -2.786 9.296 1.00 0.00 H new ATOM 875 N ASN A 57 -4.878 -4.813 11.461 1.00 0.00 N ATOM 876 CA ASN A 57 -4.557 -4.728 12.876 1.00 0.00 C ATOM 877 C ASN A 57 -3.055 -4.486 13.040 1.00 0.00 C ATOM 878 O ASN A 57 -2.637 -3.734 13.919 1.00 0.00 O ATOM 879 CB ASN A 57 -4.908 -6.030 13.599 1.00 0.00 C ATOM 880 CG ASN A 57 -5.627 -5.747 14.919 1.00 0.00 C ATOM 881 OD1 ASN A 57 -6.649 -5.081 14.969 1.00 0.00 O ATOM 882 ND2 ASN A 57 -5.039 -6.288 15.983 1.00 0.00 N ATOM 0 H ASN A 57 -5.197 -5.731 11.150 1.00 0.00 H new ATOM 0 HA ASN A 57 -5.136 -3.910 13.305 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.542 -6.645 12.960 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.999 -6.600 13.791 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -5.442 -6.156 16.911 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.185 -6.834 15.871 1.00 0.00 H new ATOM 889 N ILE A 58 -2.286 -5.138 12.181 1.00 0.00 N ATOM 890 CA ILE A 58 -0.840 -5.002 12.220 1.00 0.00 C ATOM 891 C ILE A 58 -0.420 -3.803 11.367 1.00 0.00 C ATOM 892 O ILE A 58 0.648 -3.231 11.576 1.00 0.00 O ATOM 893 CB ILE A 58 -0.168 -6.314 11.809 1.00 0.00 C ATOM 894 CG1 ILE A 58 -0.425 -6.624 10.333 1.00 0.00 C ATOM 895 CG2 ILE A 58 -0.604 -7.463 12.720 1.00 0.00 C ATOM 896 CD1 ILE A 58 0.117 -8.005 9.960 1.00 0.00 C ATOM 0 H ILE A 58 -2.637 -5.762 11.454 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.504 -4.802 13.237 1.00 0.00 H new ATOM 0 HB ILE A 58 0.909 -6.198 11.931 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.495 -6.583 10.130 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.047 -5.864 9.711 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.112 -8.383 12.406 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.327 -7.236 13.749 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.685 -7.589 12.655 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -0.079 -8.200 8.906 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.191 -8.035 10.141 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -0.375 -8.765 10.567 1.00 0.00 H new ATOM 908 N LEU A 59 -1.284 -3.459 10.423 1.00 0.00 N ATOM 909 CA LEU A 59 -1.017 -2.338 9.537 1.00 0.00 C ATOM 910 C LEU A 59 -0.977 -1.046 10.355 1.00 0.00 C ATOM 911 O LEU A 59 -1.452 -1.009 11.489 1.00 0.00 O ATOM 912 CB LEU A 59 -2.028 -2.309 8.390 1.00 0.00 C ATOM 913 CG LEU A 59 -1.976 -3.491 7.419 1.00 0.00 C ATOM 914 CD1 LEU A 59 -3.031 -3.345 6.321 1.00 0.00 C ATOM 915 CD2 LEU A 59 -0.570 -3.666 6.844 1.00 0.00 C ATOM 0 H LEU A 59 -2.169 -3.936 10.252 1.00 0.00 H new ATOM 0 HA LEU A 59 -0.040 -2.448 9.067 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.030 -2.259 8.816 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.877 -1.391 7.822 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.212 -4.399 7.973 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.973 -4.198 5.645 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.023 -3.307 6.772 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.851 -2.426 5.763 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.561 -4.512 6.157 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.280 -2.761 6.309 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.135 -3.849 7.655 1.00 0.00 H new ATOM 927 N GLY A 60 -0.405 -0.016 9.748 1.00 0.00 N ATOM 928 CA GLY A 60 -0.297 1.275 10.405 1.00 0.00 C ATOM 929 C GLY A 60 0.009 2.382 9.394 1.00 0.00 C ATOM 930 O GLY A 60 0.596 2.123 8.344 1.00 0.00 O ATOM 0 H GLY A 60 -0.011 -0.050 8.808 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.227 1.501 10.926 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.490 1.239 11.159 1.00 0.00 H new ATOM 934 N GLU A 61 -0.402 3.591 9.745 1.00 0.00 N ATOM 935 CA GLU A 61 -0.179 4.738 8.882 1.00 0.00 C ATOM 936 C GLU A 61 1.320 5.009 8.736 1.00 0.00 C ATOM 937 O GLU A 61 2.040 5.083 9.730 1.00 0.00 O ATOM 938 CB GLU A 61 -0.911 5.973 9.410 1.00 0.00 C ATOM 939 CG GLU A 61 -2.048 6.381 8.471 1.00 0.00 C ATOM 940 CD GLU A 61 -2.533 7.798 8.781 1.00 0.00 C ATOM 941 OE1 GLU A 61 -3.183 7.957 9.837 1.00 0.00 O ATOM 942 OE2 GLU A 61 -2.244 8.691 7.956 1.00 0.00 O ATOM 0 H GLU A 61 -0.889 3.801 10.616 1.00 0.00 H new ATOM 0 HA GLU A 61 -0.585 4.510 7.896 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.311 5.766 10.403 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.208 6.799 9.516 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.707 6.327 7.437 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.876 5.679 8.571 1.00 0.00 H new ATOM 949 N ALA A 62 1.744 5.150 7.489 1.00 0.00 N ATOM 950 CA ALA A 62 3.144 5.411 7.200 1.00 0.00 C ATOM 951 C ALA A 62 3.317 6.884 6.826 1.00 0.00 C ATOM 952 O ALA A 62 2.634 7.386 5.934 1.00 0.00 O ATOM 953 CB ALA A 62 3.622 4.469 6.094 1.00 0.00 C ATOM 0 H ALA A 62 1.143 5.088 6.667 1.00 0.00 H new ATOM 0 HA ALA A 62 3.759 5.219 8.079 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.672 4.665 5.878 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.506 3.436 6.421 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.029 4.634 5.194 1.00 0.00 H new ATOM 959 N SER A 63 4.234 7.536 7.526 1.00 0.00 N ATOM 960 CA SER A 63 4.505 8.942 7.279 1.00 0.00 C ATOM 961 C SER A 63 6.001 9.222 7.436 1.00 0.00 C ATOM 962 O SER A 63 6.718 8.447 8.066 1.00 0.00 O ATOM 963 CB SER A 63 3.696 9.834 8.223 1.00 0.00 C ATOM 964 OG SER A 63 4.099 9.678 9.581 1.00 0.00 O ATOM 0 H SER A 63 4.799 7.116 8.264 1.00 0.00 H new ATOM 0 HA SER A 63 4.204 9.174 6.257 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.814 10.876 7.927 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.637 9.594 8.129 1.00 0.00 H new ATOM 0 HG SER A 63 3.560 10.265 10.152 1.00 0.00 H new ATOM 970 N GLY A 64 6.427 10.333 6.852 1.00 0.00 N ATOM 971 CA GLY A 64 7.824 10.725 6.920 1.00 0.00 C ATOM 972 C GLY A 64 7.983 12.069 7.632 1.00 0.00 C ATOM 973 O GLY A 64 7.014 12.810 7.790 1.00 0.00 O ATOM 0 H GLY A 64 5.829 10.973 6.330 1.00 0.00 H new ATOM 0 HA2 GLY A 64 8.394 9.960 7.447 1.00 0.00 H new ATOM 0 HA3 GLY A 64 8.236 10.792 5.913 1.00 0.00 H new ATOM 977 N PRO A 65 9.245 12.351 8.053 1.00 0.00 N ATOM 978 CA PRO A 65 9.543 13.594 8.745 1.00 0.00 C ATOM 979 C PRO A 65 9.569 14.772 7.769 1.00 0.00 C ATOM 980 O PRO A 65 8.880 15.770 7.977 1.00 0.00 O ATOM 981 CB PRO A 65 10.882 13.355 9.423 1.00 0.00 C ATOM 982 CG PRO A 65 11.503 12.164 8.712 1.00 0.00 C ATOM 983 CD PRO A 65 10.417 11.498 7.883 1.00 0.00 C ATOM 0 HA PRO A 65 8.782 13.860 9.478 1.00 0.00 H new ATOM 0 HB2 PRO A 65 11.522 14.234 9.344 1.00 0.00 H new ATOM 0 HB3 PRO A 65 10.751 13.150 10.486 1.00 0.00 H new ATOM 0 HG2 PRO A 65 12.326 12.487 8.074 1.00 0.00 H new ATOM 0 HG3 PRO A 65 11.917 11.461 9.435 1.00 0.00 H new ATOM 0 HD2 PRO A 65 10.707 11.427 6.835 1.00 0.00 H new ATOM 0 HD3 PRO A 65 10.221 10.483 8.229 1.00 0.00 H new ATOM 991 N SER A 66 10.370 14.617 6.726 1.00 0.00 N ATOM 992 CA SER A 66 10.495 15.656 5.717 1.00 0.00 C ATOM 993 C SER A 66 10.199 15.078 4.331 1.00 0.00 C ATOM 994 O SER A 66 11.085 14.521 3.685 1.00 0.00 O ATOM 995 CB SER A 66 11.889 16.285 5.743 1.00 0.00 C ATOM 996 OG SER A 66 12.296 16.626 7.066 1.00 0.00 O ATOM 0 H SER A 66 10.939 13.788 6.557 1.00 0.00 H new ATOM 0 HA SER A 66 9.769 16.438 5.940 1.00 0.00 H new ATOM 0 HB2 SER A 66 12.609 15.590 5.310 1.00 0.00 H new ATOM 0 HB3 SER A 66 11.895 17.179 5.120 1.00 0.00 H new ATOM 0 HG SER A 66 13.192 17.023 7.041 1.00 0.00 H new ATOM 1002 N SER A 67 8.950 15.230 3.916 1.00 0.00 N ATOM 1003 CA SER A 67 8.527 14.730 2.619 1.00 0.00 C ATOM 1004 C SER A 67 7.117 15.231 2.300 1.00 0.00 C ATOM 1005 O SER A 67 6.132 14.670 2.778 1.00 0.00 O ATOM 1006 CB SER A 67 8.569 13.201 2.578 1.00 0.00 C ATOM 1007 OG SER A 67 7.930 12.619 3.711 1.00 0.00 O ATOM 0 H SER A 67 8.218 15.692 4.455 1.00 0.00 H new ATOM 0 HA SER A 67 9.219 15.106 1.865 1.00 0.00 H new ATOM 0 HB2 SER A 67 8.084 12.849 1.668 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.606 12.868 2.536 1.00 0.00 H new ATOM 0 HG SER A 67 7.078 13.074 3.876 1.00 0.00 H new ATOM 1013 N GLY A 68 7.065 16.282 1.495 1.00 0.00 N ATOM 1014 CA GLY A 68 5.792 16.865 1.106 1.00 0.00 C ATOM 1015 C GLY A 68 5.257 16.212 -0.170 1.00 0.00 C ATOM 1016 O GLY A 68 4.057 15.966 -0.290 1.00 0.00 O ATOM 0 H GLY A 68 7.884 16.745 1.101 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.070 16.741 1.913 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.912 17.937 0.948 1.00 0.00 H new TER 1020 GLY A 68